smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000131109319 551372504 /nfs/dbraw/zinc/37/25/04/551372504.db2.gz DVVUWFVVUAAFJI-UHFFFAOYSA-N -1 3 376.419 2.592 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000172286107 551674959 /nfs/dbraw/zinc/67/49/59/551674959.db2.gz NNAOFFMMMOSOBK-UHFFFAOYSA-N -1 3 382.825 2.704 20 5 GFBDHM Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(-c2ccccc2)n1 ZINC000182325788 552280867 /nfs/dbraw/zinc/28/08/67/552280867.db2.gz SIAJQGRTXMWBCN-UHFFFAOYSA-N -1 3 378.435 2.535 20 5 GFBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cs1 ZINC000185609433 552366739 /nfs/dbraw/zinc/36/67/39/552366739.db2.gz ITPQORFQMDJLJP-UHFFFAOYSA-N -1 3 378.435 2.640 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000246501176 553108801 /nfs/dbraw/zinc/10/88/01/553108801.db2.gz BYKAIVSCJKYDOF-MNDBLIDSSA-N -1 3 394.902 2.606 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])c1 ZINC000433478295 563613672 /nfs/dbraw/zinc/61/36/72/563613672.db2.gz BWFSWQYPZUGPQL-ZDUSSCGKSA-N -1 3 386.495 2.626 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000290217933 563702091 /nfs/dbraw/zinc/70/20/91/563702091.db2.gz WAJQHSOOHKVGNX-INIZCTEOSA-N -1 3 382.463 2.564 20 5 GFBDHM O=C([N-]c1cccnc1-n1cncn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365468276 563784545 /nfs/dbraw/zinc/78/45/45/563784545.db2.gz XDZRQPJBNWEBDS-UHFFFAOYSA-N -1 3 395.198 2.647 20 5 GFBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000367937979 563859702 /nfs/dbraw/zinc/85/97/02/563859702.db2.gz WOPBYEDOIPUYBH-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000507292298 564225098 /nfs/dbraw/zinc/22/50/98/564225098.db2.gz QQUZEHSRERFDHM-UHFFFAOYSA-N -1 3 383.455 2.552 20 5 GFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000507292298 564225103 /nfs/dbraw/zinc/22/51/03/564225103.db2.gz QQUZEHSRERFDHM-UHFFFAOYSA-N -1 3 383.455 2.552 20 5 GFBDHM CCC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000510507053 564336564 /nfs/dbraw/zinc/33/65/64/564336564.db2.gz WPYGYBFBRBRSDX-CYBMUJFWSA-N -1 3 393.259 2.595 20 5 GFBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452063982 564387501 /nfs/dbraw/zinc/38/75/01/564387501.db2.gz YQXMTTLXTKDOPR-VXGBXAGGSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452095181 564390863 /nfs/dbraw/zinc/39/08/63/564390863.db2.gz VSWXXFIYVUKMCU-HNNXBMFYSA-N -1 3 382.463 2.839 20 5 GFBDHM O=C([N-]c1ncnn1-c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000514829826 564459029 /nfs/dbraw/zinc/45/90/29/564459029.db2.gz NSEQKDJAMPMMLC-UHFFFAOYSA-N -1 3 388.181 2.612 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000480707390 564483298 /nfs/dbraw/zinc/48/32/98/564483298.db2.gz QJDUWOKCTQWZQI-UHFFFAOYSA-N -1 3 385.829 2.617 20 5 GFBDHM COC(=O)c1ncccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486064477 564637606 /nfs/dbraw/zinc/63/76/06/564637606.db2.gz BSZJHMSDXACFFX-UHFFFAOYSA-N -1 3 386.183 2.853 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCc1cccc([N+](=O)[O-])c1 ZINC000491206857 564788360 /nfs/dbraw/zinc/78/83/60/564788360.db2.gz HFEWWPPWKTWASO-UHFFFAOYSA-N -1 3 379.210 2.964 20 5 GFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000581655442 564813034 /nfs/dbraw/zinc/81/30/34/564813034.db2.gz ZAWWVQXILOZALJ-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000466903568 564950342 /nfs/dbraw/zinc/95/03/42/564950342.db2.gz XAASVQHTXHITSI-UHFFFAOYSA-N -1 3 378.834 2.648 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467061645 564954569 /nfs/dbraw/zinc/95/45/69/564954569.db2.gz DTOSIRSHWVGVNC-LLVKDONJSA-N -1 3 392.499 2.999 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000467416353 564962857 /nfs/dbraw/zinc/96/28/57/564962857.db2.gz BBDWZXCGBYSLHP-UHFFFAOYSA-N -1 3 380.451 2.601 20 5 GFBDHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592076206 565252841 /nfs/dbraw/zinc/25/28/41/565252841.db2.gz WUMZNLBFANCLLF-NSHDSACASA-N -1 3 378.834 2.504 20 5 GFBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113620 565258183 /nfs/dbraw/zinc/25/81/83/565258183.db2.gz OBAYABUEMGDVBG-XVKPBYJWSA-N -1 3 381.273 2.530 20 5 GFBDHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593654030 565354003 /nfs/dbraw/zinc/35/40/03/565354003.db2.gz FTDOZFUIJJVVNX-SECBINFHSA-N -1 3 382.360 2.707 20 5 GFBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000596211213 565515552 /nfs/dbraw/zinc/51/55/52/565515552.db2.gz TUTNTHDJXXWYGT-SNVBAGLBSA-N -1 3 382.214 2.721 20 5 GFBDHM COC(=O)C(C)(C)n1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000596518927 565526039 /nfs/dbraw/zinc/52/60/39/565526039.db2.gz NEGPKNNIWDJCEK-UHFFFAOYSA-N -1 3 384.190 2.601 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1 ZINC000598621058 565630023 /nfs/dbraw/zinc/63/00/23/565630023.db2.gz FDUQZGZFYARFSM-SSDOTTSWSA-N -1 3 385.186 2.681 20 5 GFBDHM O=C(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000599472119 565682079 /nfs/dbraw/zinc/68/20/79/565682079.db2.gz ORHZWSIDMGWOSR-UHFFFAOYSA-N -1 3 380.344 2.651 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c([N+](=O)[O-])s1 ZINC000601345697 565776791 /nfs/dbraw/zinc/77/67/91/565776791.db2.gz XYUAVYUEMGRUMG-UHFFFAOYSA-N -1 3 382.463 2.949 20 5 GFBDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000609277266 566034678 /nfs/dbraw/zinc/03/46/78/566034678.db2.gz WUJVDCBGKQBPMH-GFCCVEGCSA-N -1 3 384.435 2.629 20 5 GFBDHM COC(=O)CCc1nnc([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 ZINC000609871578 566056541 /nfs/dbraw/zinc/05/65/41/566056541.db2.gz QETMQWFLZVDUKF-UHFFFAOYSA-N -1 3 382.423 2.526 20 5 GFBDHM O=C(Nc1nc(Sc2ccccc2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610011149 566061378 /nfs/dbraw/zinc/06/13/78/566061378.db2.gz PFGWHALPRVJXFV-UHFFFAOYSA-N -1 3 375.391 2.950 20 5 GFBDHM Cc1cnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c([N+](=O)[O-])c1 ZINC000822395254 599105116 /nfs/dbraw/zinc/10/51/16/599105116.db2.gz YNYPEKFLXXAWJD-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1cnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000822395254 599105119 /nfs/dbraw/zinc/10/51/19/599105119.db2.gz YNYPEKFLXXAWJD-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357170 599171717 /nfs/dbraw/zinc/17/17/17/599171717.db2.gz DVVXZSAHQDTVQE-AWEZNQCLSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357170 599171719 /nfs/dbraw/zinc/17/17/19/599171719.db2.gz DVVXZSAHQDTVQE-AWEZNQCLSA-N -1 3 383.387 2.995 20 5 GFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000821399865 607295609 /nfs/dbraw/zinc/29/56/09/607295609.db2.gz CZXOTFBEFKSVLE-UHFFFAOYSA-N -1 3 398.379 2.743 20 5 GFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821399865 607295610 /nfs/dbraw/zinc/29/56/10/607295610.db2.gz CZXOTFBEFKSVLE-UHFFFAOYSA-N -1 3 398.379 2.743 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738368237 598458171 /nfs/dbraw/zinc/45/81/71/598458171.db2.gz AZCPMENVFQRDFU-INIZCTEOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738368237 598458173 /nfs/dbraw/zinc/45/81/73/598458173.db2.gz AZCPMENVFQRDFU-INIZCTEOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359375 598467934 /nfs/dbraw/zinc/46/79/34/598467934.db2.gz PZFDYICWWYRACA-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359375 598467935 /nfs/dbraw/zinc/46/79/35/598467935.db2.gz PZFDYICWWYRACA-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736188147 598497883 /nfs/dbraw/zinc/49/78/83/598497883.db2.gz MITWRHXKHJJVOP-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736188147 598497885 /nfs/dbraw/zinc/49/78/85/598497885.db2.gz MITWRHXKHJJVOP-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM CN(c1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736842529 598627984 /nfs/dbraw/zinc/62/79/84/598627984.db2.gz CACRTWGSATZJMH-UHFFFAOYSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736842529 598627986 /nfs/dbraw/zinc/62/79/86/598627986.db2.gz CACRTWGSATZJMH-UHFFFAOYSA-N -1 3 379.424 2.880 20 5 GFBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000737002176 598760911 /nfs/dbraw/zinc/76/09/11/598760911.db2.gz LGPKLZRRFFFYPW-UHFFFAOYSA-N -1 3 386.387 2.563 20 5 GFBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000737002176 598760912 /nfs/dbraw/zinc/76/09/12/598760912.db2.gz LGPKLZRRFFFYPW-UHFFFAOYSA-N -1 3 386.387 2.563 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737262039 599386301 /nfs/dbraw/zinc/38/63/01/599386301.db2.gz BVAZHSDDIQFECK-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737262039 599386303 /nfs/dbraw/zinc/38/63/03/599386303.db2.gz BVAZHSDDIQFECK-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM COc1cc(CCNc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000821713303 599467272 /nfs/dbraw/zinc/46/72/72/599467272.db2.gz UKIGEVLNMQZIOV-UHFFFAOYSA-N -1 3 388.359 2.586 20 5 GFBDHM COc1cc(CCNc2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000821713303 599467274 /nfs/dbraw/zinc/46/72/74/599467274.db2.gz UKIGEVLNMQZIOV-UHFFFAOYSA-N -1 3 388.359 2.586 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738232889 599500331 /nfs/dbraw/zinc/50/03/31/599500331.db2.gz WVKWYBKOYBUJSL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738232889 599500333 /nfs/dbraw/zinc/50/03/33/599500333.db2.gz WVKWYBKOYBUJSL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CSc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821979769 599542804 /nfs/dbraw/zinc/54/28/04/599542804.db2.gz WISMFSNAMPZYTK-SNVBAGLBSA-N -1 3 384.421 2.988 20 5 GFBDHM CSc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821979769 599542806 /nfs/dbraw/zinc/54/28/06/599542806.db2.gz WISMFSNAMPZYTK-SNVBAGLBSA-N -1 3 384.421 2.988 20 5 GFBDHM CCC(CC)(CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820887764 599688366 /nfs/dbraw/zinc/68/83/66/599688366.db2.gz PSMJQTLKAZATIJ-UHFFFAOYSA-N -1 3 385.428 2.924 20 5 GFBDHM CCC(CC)(CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820887764 599688367 /nfs/dbraw/zinc/68/83/67/599688367.db2.gz PSMJQTLKAZATIJ-UHFFFAOYSA-N -1 3 385.428 2.924 20 5 GFBDHM Cc1c(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000826236449 607430590 /nfs/dbraw/zinc/43/05/90/607430590.db2.gz MPXKBJLKGZJSBB-UHFFFAOYSA-N -1 3 383.412 2.821 20 5 GFBDHM Cc1c(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000826236449 607430591 /nfs/dbraw/zinc/43/05/91/607430591.db2.gz MPXKBJLKGZJSBB-UHFFFAOYSA-N -1 3 383.412 2.821 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826427829 607447366 /nfs/dbraw/zinc/44/73/66/607447366.db2.gz CEAKWFOWZWSQEN-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826427829 607447368 /nfs/dbraw/zinc/44/73/68/607447368.db2.gz CEAKWFOWZWSQEN-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C([O-])c1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc([N+](=O)[O-])c1 ZINC000833298492 601332197 /nfs/dbraw/zinc/33/21/97/601332197.db2.gz WRPYQICXJJQJDC-UHFFFAOYSA-N -1 3 399.403 2.502 20 5 GFBDHM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739097076 602432677 /nfs/dbraw/zinc/43/26/77/602432677.db2.gz CSSIVLWIDIBXSA-SGTLLEGYSA-N -1 3 379.413 2.767 20 5 GFBDHM COc1ccc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205719 607609653 /nfs/dbraw/zinc/60/96/53/607609653.db2.gz IZLXGBJFOQNOLB-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826205719 607609655 /nfs/dbraw/zinc/60/96/55/607609655.db2.gz IZLXGBJFOQNOLB-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825544537 607760363 /nfs/dbraw/zinc/76/03/63/607760363.db2.gz BDQJMQPORIDGMO-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825544537 607760364 /nfs/dbraw/zinc/76/03/64/607760364.db2.gz BDQJMQPORIDGMO-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM CCc1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476040 606130976 /nfs/dbraw/zinc/13/09/76/606130976.db2.gz FERYRDWPWRHTIE-UHFFFAOYSA-N -1 3 383.364 2.573 20 5 GFBDHM CCc1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476040 606130978 /nfs/dbraw/zinc/13/09/78/606130978.db2.gz FERYRDWPWRHTIE-UHFFFAOYSA-N -1 3 383.364 2.573 20 5 GFBDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820562980 606143495 /nfs/dbraw/zinc/14/34/95/606143495.db2.gz KVUWGIPMXYSZEW-DQQVXTMASA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820562980 606143497 /nfs/dbraw/zinc/14/34/97/606143497.db2.gz KVUWGIPMXYSZEW-DQQVXTMASA-N -1 3 386.437 2.710 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000822224046 606145371 /nfs/dbraw/zinc/14/53/71/606145371.db2.gz UEQNLZFILYQMCH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000822224046 606145374 /nfs/dbraw/zinc/14/53/74/606145374.db2.gz UEQNLZFILYQMCH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(-c4nnn[n-]4)cs3)[n+]2[O-])c1 ZINC000823644084 606306874 /nfs/dbraw/zinc/30/68/74/606306874.db2.gz FKEZBOHBCUDSHN-PLNGDYQASA-N -1 3 393.388 2.702 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(-c4nn[n-]n4)cs3)[n+]2[O-])c1 ZINC000823644084 606306876 /nfs/dbraw/zinc/30/68/76/606306876.db2.gz FKEZBOHBCUDSHN-PLNGDYQASA-N -1 3 393.388 2.702 20 5 GFBDHM COc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821787699 606351924 /nfs/dbraw/zinc/35/19/24/606351924.db2.gz YHORQNRAKQCUDN-NSHDSACASA-N -1 3 383.364 2.630 20 5 GFBDHM COc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821787699 606351926 /nfs/dbraw/zinc/35/19/26/606351926.db2.gz YHORQNRAKQCUDN-NSHDSACASA-N -1 3 383.364 2.630 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229175 606449182 /nfs/dbraw/zinc/44/91/82/606449182.db2.gz OGRSWIFWNIPEAP-ZDUSSCGKSA-N -1 3 380.408 2.893 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229175 606449183 /nfs/dbraw/zinc/44/91/83/606449183.db2.gz OGRSWIFWNIPEAP-ZDUSSCGKSA-N -1 3 380.408 2.893 20 5 GFBDHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000822208124 606487849 /nfs/dbraw/zinc/48/78/49/606487849.db2.gz BXVXCHKXQYTQQE-UHFFFAOYSA-N -1 3 396.392 2.583 20 5 GFBDHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000822208124 606487850 /nfs/dbraw/zinc/48/78/50/606487850.db2.gz BXVXCHKXQYTQQE-UHFFFAOYSA-N -1 3 396.392 2.583 20 5 GFBDHM NC(=O)c1ccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822884875 606630827 /nfs/dbraw/zinc/63/08/27/606630827.db2.gz CFRRDCIBYLBXHT-UHFFFAOYSA-N -1 3 390.812 2.820 20 5 GFBDHM NC(=O)c1ccc(CSc2ccc(Cl)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822884875 606630828 /nfs/dbraw/zinc/63/08/28/606630828.db2.gz CFRRDCIBYLBXHT-UHFFFAOYSA-N -1 3 390.812 2.820 20 5 GFBDHM CCc1nnc(NCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nnn[n-]2)c1CC ZINC000821542094 606943122 /nfs/dbraw/zinc/94/31/22/606943122.db2.gz IYKHATYSOZERGL-UHFFFAOYSA-N -1 3 388.819 2.955 20 5 GFBDHM CCc1nnc(NCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nn[n-]n2)c1CC ZINC000821542094 606943123 /nfs/dbraw/zinc/94/31/23/606943123.db2.gz IYKHATYSOZERGL-UHFFFAOYSA-N -1 3 388.819 2.955 20 5 GFBDHM Cc1nn(CCCOc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500952 606984739 /nfs/dbraw/zinc/98/47/39/606984739.db2.gz OFEBENQIJOSIQH-UHFFFAOYSA-N -1 3 379.380 2.902 20 5 GFBDHM Cc1nn(CCCOc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500952 606984740 /nfs/dbraw/zinc/98/47/40/606984740.db2.gz OFEBENQIJOSIQH-UHFFFAOYSA-N -1 3 379.380 2.902 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822270950 607026301 /nfs/dbraw/zinc/02/63/01/607026301.db2.gz FISKRLCBGHVRIA-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000821594126 607189207 /nfs/dbraw/zinc/18/92/07/607189207.db2.gz ZSHUHYBQSYPUKT-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000821594126 607189208 /nfs/dbraw/zinc/18/92/08/607189208.db2.gz ZSHUHYBQSYPUKT-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM Cc1ccc(C)c(OC[C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC000826285012 607876410 /nfs/dbraw/zinc/87/64/10/607876410.db2.gz NLDHJAPMVFXPRQ-AWEZNQCLSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1ccc(C)c(OC[C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC000826285012 607876411 /nfs/dbraw/zinc/87/64/11/607876411.db2.gz NLDHJAPMVFXPRQ-AWEZNQCLSA-N -1 3 399.407 2.519 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nnn[n-]3)[n+]2[O-])c1 ZINC000826499365 607884433 /nfs/dbraw/zinc/88/44/33/607884433.db2.gz GCVZZXBOTKFILK-HJWRWDBZSA-N -1 3 387.359 2.641 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nn[n-]n3)[n+]2[O-])c1 ZINC000826499365 607884434 /nfs/dbraw/zinc/88/44/34/607884434.db2.gz GCVZZXBOTKFILK-HJWRWDBZSA-N -1 3 387.359 2.641 20 5 GFBDHM C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824489109 607939767 /nfs/dbraw/zinc/93/97/67/607939767.db2.gz IZQVSJNQHSVMHO-GFCCVEGCSA-N -1 3 393.407 2.604 20 5 GFBDHM C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824489109 607939768 /nfs/dbraw/zinc/93/97/68/607939768.db2.gz IZQVSJNQHSVMHO-GFCCVEGCSA-N -1 3 393.407 2.604 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2cccc(C(F)(F)F)n2)c(-c2nnn[n-]2)c1 ZINC000826499124 607967053 /nfs/dbraw/zinc/96/70/53/607967053.db2.gz WQRTUVDZMKSWIE-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2cccc(C(F)(F)F)n2)c(-c2nn[n-]n2)c1 ZINC000826499124 607967054 /nfs/dbraw/zinc/96/70/54/607967054.db2.gz WQRTUVDZMKSWIE-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM CC(=O)c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024450 608051656 /nfs/dbraw/zinc/05/16/56/608051656.db2.gz FNIXRIQKGAWIHA-GOSISDBHSA-N -1 3 394.391 2.555 20 5 GFBDHM CC(=O)c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024450 608051657 /nfs/dbraw/zinc/05/16/57/608051657.db2.gz FNIXRIQKGAWIHA-GOSISDBHSA-N -1 3 394.391 2.555 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1c1ccccc1F ZINC000826477952 608053359 /nfs/dbraw/zinc/05/33/59/608053359.db2.gz QCGJWBWSRMOZNT-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1c1ccccc1F ZINC000826477952 608053360 /nfs/dbraw/zinc/05/33/60/608053360.db2.gz QCGJWBWSRMOZNT-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464561 608104976 /nfs/dbraw/zinc/10/49/76/608104976.db2.gz CBEYXXIEESXVOT-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464561 608104977 /nfs/dbraw/zinc/10/49/77/608104977.db2.gz CBEYXXIEESXVOT-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826422673 608121493 /nfs/dbraw/zinc/12/14/93/608121493.db2.gz HYBAUJWQEWYKPM-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826422673 608121494 /nfs/dbraw/zinc/12/14/94/608121494.db2.gz HYBAUJWQEWYKPM-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM Cc1cc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266669 608154086 /nfs/dbraw/zinc/15/40/86/608154086.db2.gz XHUFBSSQXYAQFE-QGZVFWFLSA-N -1 3 384.371 2.800 20 5 GFBDHM Cc1cc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266669 608154089 /nfs/dbraw/zinc/15/40/89/608154089.db2.gz XHUFBSSQXYAQFE-QGZVFWFLSA-N -1 3 384.371 2.800 20 5 GFBDHM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928095 608161341 /nfs/dbraw/zinc/16/13/41/608161341.db2.gz RCXWTRVKUYDQCJ-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928095 608161344 /nfs/dbraw/zinc/16/13/44/608161344.db2.gz RCXWTRVKUYDQCJ-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM Cc1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329479 608163319 /nfs/dbraw/zinc/16/33/19/608163319.db2.gz FOVUFBJGEKCRBZ-IHWYPQMZSA-N -1 3 391.800 2.845 20 5 GFBDHM Cc1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329479 608163322 /nfs/dbraw/zinc/16/33/22/608163322.db2.gz FOVUFBJGEKCRBZ-IHWYPQMZSA-N -1 3 391.800 2.845 20 5 GFBDHM O=C(C=Cc1cncc(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403070 608163757 /nfs/dbraw/zinc/16/37/57/608163757.db2.gz JDEUYOLXOABXQU-UPHRSURJSA-N -1 3 389.734 2.614 20 5 GFBDHM O=C(C=Cc1cncc(F)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403070 608163758 /nfs/dbraw/zinc/16/37/58/608163758.db2.gz JDEUYOLXOABXQU-UPHRSURJSA-N -1 3 389.734 2.614 20 5 GFBDHM CC(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213807 608242124 /nfs/dbraw/zinc/24/21/24/608242124.db2.gz CZNYFPRIVFGRLM-BDJLRTHQSA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213807 608242125 /nfs/dbraw/zinc/24/21/25/608242125.db2.gz CZNYFPRIVFGRLM-BDJLRTHQSA-N -1 3 383.412 2.939 20 5 GFBDHM Cc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826288121 608854266 /nfs/dbraw/zinc/85/42/66/608854266.db2.gz RWEQGMBPWUZJPY-GOSISDBHSA-N -1 3 380.408 2.657 20 5 GFBDHM Cc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288121 608854269 /nfs/dbraw/zinc/85/42/69/608854269.db2.gz RWEQGMBPWUZJPY-GOSISDBHSA-N -1 3 380.408 2.657 20 5 GFBDHM C[C@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824770835 608864383 /nfs/dbraw/zinc/86/43/83/608864383.db2.gz NBAXAJDMCXCKHD-CYBMUJFWSA-N -1 3 397.414 2.797 20 5 GFBDHM C[C@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824770835 608864387 /nfs/dbraw/zinc/86/43/87/608864387.db2.gz NBAXAJDMCXCKHD-CYBMUJFWSA-N -1 3 397.414 2.797 20 5 GFBDHM Cc1nn(-c2ccccc2)cc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826333241 609317016 /nfs/dbraw/zinc/31/70/16/609317016.db2.gz ZQGKWZHITNHZSG-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM Cc1nn(-c2ccccc2)cc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826333241 609317018 /nfs/dbraw/zinc/31/70/18/609317018.db2.gz ZQGKWZHITNHZSG-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824473002 609325224 /nfs/dbraw/zinc/32/52/24/609325224.db2.gz YCWLCWYTEIUQMW-SNVBAGLBSA-N -1 3 388.334 2.744 20 5 GFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000825820665 609499230 /nfs/dbraw/zinc/49/92/30/609499230.db2.gz OHAUFAJCVXRJAX-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000825820665 609499232 /nfs/dbraw/zinc/49/92/32/609499232.db2.gz OHAUFAJCVXRJAX-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826291755 609576905 /nfs/dbraw/zinc/57/69/05/609576905.db2.gz URDBIAXZMNDQOA-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826291755 609576906 /nfs/dbraw/zinc/57/69/06/609576906.db2.gz URDBIAXZMNDQOA-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@H]23)c1Cl ZINC000830002435 660629438 /nfs/dbraw/zinc/62/94/38/660629438.db2.gz KDUPTIGFECWDMO-WDEREUQCSA-N -1 3 394.280 2.807 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(F)F ZINC000831729636 660723414 /nfs/dbraw/zinc/72/34/14/660723414.db2.gz YIMDKPFYKHQISV-QMMMGPOBSA-N -1 3 387.202 2.988 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000156350490 655091701 /nfs/dbraw/zinc/09/17/01/655091701.db2.gz HHZMPLMJUXTZMM-VIFPVBQESA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccn1 ZINC000158102135 655104802 /nfs/dbraw/zinc/10/48/02/655104802.db2.gz YPXJVGCLRYGOEH-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000119904824 655320615 /nfs/dbraw/zinc/32/06/15/655320615.db2.gz VDKOGQIAYMDWAR-LLVKDONJSA-N -1 3 378.435 2.882 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(Br)c1 ZINC000578744754 655486054 /nfs/dbraw/zinc/48/60/54/655486054.db2.gz UDNMEJYXCOHJEH-IUCAKERBSA-N -1 3 381.223 2.916 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000759168186 655949909 /nfs/dbraw/zinc/94/99/09/655949909.db2.gz MSMVQAPRKBMJPH-CLFYSBASSA-N -1 3 399.226 2.670 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)(F)F ZINC000765743736 656150011 /nfs/dbraw/zinc/15/00/11/656150011.db2.gz XWOSHYOHGSATOQ-GZMMTYOYSA-N -1 3 390.767 2.537 20 5 GFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000770317720 656316216 /nfs/dbraw/zinc/31/62/16/656316216.db2.gz KJRUUBZEQGYENJ-UHFFFAOYSA-N -1 3 389.183 2.606 20 5 GFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cs1 ZINC000788216668 657673663 /nfs/dbraw/zinc/67/36/63/657673663.db2.gz NZORUWCIFUJQPX-UHFFFAOYSA-N -1 3 376.799 2.897 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000848509153 661658854 /nfs/dbraw/zinc/65/88/54/661658854.db2.gz UQNIDFPSOINVMH-CHWSQXEVSA-N -1 3 391.852 2.683 20 5 GFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000056122136 551177112 /nfs/dbraw/zinc/17/71/12/551177112.db2.gz YTZHNCLKBDKYDB-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC ZINC000056118494 551177180 /nfs/dbraw/zinc/17/71/80/551177180.db2.gz MVBBUWZDQQUHFA-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1ncc(Cl)cc1Cl ZINC000132864100 551379879 /nfs/dbraw/zinc/37/98/79/551379879.db2.gz DPYCXGPXEHHIEH-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000183783047 552319273 /nfs/dbraw/zinc/31/92/73/552319273.db2.gz NYMINFJETCVBFS-INIZCTEOSA-N -1 3 384.841 2.575 20 5 GFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000189161347 552465223 /nfs/dbraw/zinc/46/52/23/552465223.db2.gz FZGVTFVSBKZQST-JTQLQIEISA-N -1 3 385.829 3.000 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000429874924 563526713 /nfs/dbraw/zinc/52/67/13/563526713.db2.gz CEAVTQUHBNMLPQ-UHFFFAOYSA-N -1 3 384.332 3.000 20 5 GFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000366124970 563799959 /nfs/dbraw/zinc/79/99/59/563799959.db2.gz JWGOSUWHAZZOBZ-UHFFFAOYSA-N -1 3 388.373 2.658 20 5 GFBDHM COCCCOc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000443768314 563811810 /nfs/dbraw/zinc/81/18/10/563811810.db2.gz DEUYAMBVEYYVGF-UHFFFAOYSA-N -1 3 386.451 2.550 20 5 GFBDHM Cc1ccc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000443991566 563817927 /nfs/dbraw/zinc/81/79/27/563817927.db2.gz VUKIGCYKNGRKLM-UHFFFAOYSA-N -1 3 383.857 2.625 20 5 GFBDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416449760 563829967 /nfs/dbraw/zinc/82/99/67/563829967.db2.gz KERKQPJUQIOZIO-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455217 563830821 /nfs/dbraw/zinc/83/08/21/563830821.db2.gz KDIPOEGOOQNNTP-SKDRFNHKSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490021 563838179 /nfs/dbraw/zinc/83/81/79/563838179.db2.gz TWZUXYUJQDWHHU-ZJUUUORDSA-N -1 3 382.360 2.565 20 5 GFBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416496931 563839258 /nfs/dbraw/zinc/83/92/58/563839258.db2.gz RJQGDNZMBSTYIK-UHFFFAOYSA-N -1 3 384.376 2.689 20 5 GFBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416627891 563855127 /nfs/dbraw/zinc/85/51/27/563855127.db2.gz VYNJJWZUOWGOJD-UHFFFAOYSA-N -1 3 395.275 2.839 20 5 GFBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000564147244 564222153 /nfs/dbraw/zinc/22/21/53/564222153.db2.gz GDJMZVBTOAFZGI-NSHDSACASA-N -1 3 388.829 2.767 20 5 GFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000541389625 564277561 /nfs/dbraw/zinc/27/75/61/564277561.db2.gz RRRNGZZWLLGEJO-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CCOc1ccncc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451379457 564306354 /nfs/dbraw/zinc/30/63/54/564306354.db2.gz VHTVSAZHRVDSHO-UHFFFAOYSA-N -1 3 385.829 2.563 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000509761097 564311906 /nfs/dbraw/zinc/31/19/06/564311906.db2.gz IHCSPXOFJACLTE-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000451968887 564373897 /nfs/dbraw/zinc/37/38/97/564373897.db2.gz VAWXWJCCWGZENY-GWCFXTLKSA-N -1 3 386.426 2.994 20 5 GFBDHM CC1(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000451996480 564378693 /nfs/dbraw/zinc/37/86/93/564378693.db2.gz QDOUELKWCXFHII-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171576 564621077 /nfs/dbraw/zinc/62/10/77/564621077.db2.gz QVPMHUGCJAYDHT-GFCCVEGCSA-N -1 3 375.516 2.835 20 5 GFBDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132539 564677334 /nfs/dbraw/zinc/67/73/34/564677334.db2.gz IIGOPISPOQHALD-XHDPSFHLSA-N -1 3 376.862 2.978 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC2(F)CCC2)c1 ZINC000553576109 564728657 /nfs/dbraw/zinc/72/86/57/564728657.db2.gz WMGIXXPQFRUOTN-UHFFFAOYSA-N -1 3 381.223 2.918 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553907248 564744301 /nfs/dbraw/zinc/74/43/01/564744301.db2.gz VVFCVNVYVISPHW-AWEZNQCLSA-N -1 3 384.841 2.959 20 5 GFBDHM NC(=O)c1ccc(SCC(=O)Nc2c([O-])cccc2Cl)c([N+](=O)[O-])c1 ZINC000557531980 564866212 /nfs/dbraw/zinc/86/62/12/564866212.db2.gz SXRMAUHTKLLGIH-UHFFFAOYSA-N -1 3 381.797 2.784 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000583226526 564881873 /nfs/dbraw/zinc/88/18/73/564881873.db2.gz SRAXRBLXJKFCMP-GFCCVEGCSA-N -1 3 386.788 2.669 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000467403264 564962684 /nfs/dbraw/zinc/96/26/84/564962684.db2.gz VMBCNOZKPYIIQB-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000536607726 565042730 /nfs/dbraw/zinc/04/27/30/565042730.db2.gz JCWLBVNHZOSHCR-ILWJIGKKSA-N -1 3 393.259 2.592 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[n-]1 ZINC000586811739 565118833 /nfs/dbraw/zinc/11/88/33/565118833.db2.gz FNFCZCYMGYLLPI-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c[n-]1 ZINC000586811739 565118835 /nfs/dbraw/zinc/11/88/35/565118835.db2.gz FNFCZCYMGYLLPI-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588144618 565128606 /nfs/dbraw/zinc/12/86/06/565128606.db2.gz PLMRGIKLJRAHQH-CYBMUJFWSA-N -1 3 384.841 2.611 20 5 GFBDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572865 565343797 /nfs/dbraw/zinc/34/37/97/565343797.db2.gz MTMDHDZRLYBISV-BMIGLBTASA-N -1 3 385.829 2.698 20 5 GFBDHM CCSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000595348656 565466224 /nfs/dbraw/zinc/46/62/24/565466224.db2.gz LHKHPMMXFXPRAJ-UHFFFAOYSA-N -1 3 395.300 2.921 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392937 565473084 /nfs/dbraw/zinc/47/30/84/565473084.db2.gz MNFRHECSXNDEIE-AWEZNQCLSA-N -1 3 381.479 2.518 20 5 GFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000610759121 566097099 /nfs/dbraw/zinc/09/70/99/566097099.db2.gz OYORAAIAIWIQTF-UHFFFAOYSA-N -1 3 385.829 2.563 20 5 GFBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(Br)cc1F ZINC000610774529 566098156 /nfs/dbraw/zinc/09/81/56/566098156.db2.gz LUANKXKAVUFGQX-UHFFFAOYSA-N -1 3 398.144 2.930 20 5 GFBDHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737238613 598882091 /nfs/dbraw/zinc/88/20/91/598882091.db2.gz QFWVJVWHQFUOKL-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737238613 598882093 /nfs/dbraw/zinc/88/20/93/598882093.db2.gz QFWVJVWHQFUOKL-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM COC(=O)C(C)(C)c1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821639430 599039239 /nfs/dbraw/zinc/03/92/39/599039239.db2.gz YPVZNNUTWLELTK-UHFFFAOYSA-N -1 3 382.380 2.969 20 5 GFBDHM COC(=O)C(C)(C)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821639430 599039242 /nfs/dbraw/zinc/03/92/42/599039242.db2.gz YPVZNNUTWLELTK-UHFFFAOYSA-N -1 3 382.380 2.969 20 5 GFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823333172 607263258 /nfs/dbraw/zinc/26/32/58/607263258.db2.gz ZHLPWLFBUYZMEO-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823333172 607263259 /nfs/dbraw/zinc/26/32/59/607263259.db2.gz ZHLPWLFBUYZMEO-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738369629 598249572 /nfs/dbraw/zinc/24/95/72/598249572.db2.gz KSTMUTSIAXWDDM-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738369629 598249574 /nfs/dbraw/zinc/24/95/74/598249574.db2.gz KSTMUTSIAXWDDM-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)ccc1-c1nnn[n-]1 ZINC000823634035 607347412 /nfs/dbraw/zinc/34/74/12/607347412.db2.gz AFPSAALRMSFFGH-MRXNPFEDSA-N -1 3 388.334 2.631 20 5 GFBDHM CC(C)(C)OC(=O)N(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000735622877 598455676 /nfs/dbraw/zinc/45/56/76/598455676.db2.gz AOMUJYZKEUMXRF-UHFFFAOYSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000735622877 598455677 /nfs/dbraw/zinc/45/56/77/598455677.db2.gz AOMUJYZKEUMXRF-UHFFFAOYSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735874651 598568116 /nfs/dbraw/zinc/56/81/16/598568116.db2.gz TXCWNXAILJGHPJ-UHFFFAOYSA-N -1 3 384.371 2.965 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735874651 598568118 /nfs/dbraw/zinc/56/81/18/598568118.db2.gz TXCWNXAILJGHPJ-UHFFFAOYSA-N -1 3 384.371 2.965 20 5 GFBDHM Cc1c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737209373 598808514 /nfs/dbraw/zinc/80/85/14/598808514.db2.gz NYCOAMXYSJKXMB-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000738370914 598815881 /nfs/dbraw/zinc/81/58/81/598815881.db2.gz SIIXAHMNTBMAFC-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000738370914 598815882 /nfs/dbraw/zinc/81/58/82/598815882.db2.gz SIIXAHMNTBMAFC-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455139 599356614 /nfs/dbraw/zinc/35/66/14/599356614.db2.gz FBZHDFZWMOHWAV-LLVKDONJSA-N -1 3 393.407 2.840 20 5 GFBDHM C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455139 599356618 /nfs/dbraw/zinc/35/66/18/599356618.db2.gz FBZHDFZWMOHWAV-LLVKDONJSA-N -1 3 393.407 2.840 20 5 GFBDHM COc1cccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821868436 599480899 /nfs/dbraw/zinc/48/08/99/599480899.db2.gz QVYRDOZUVRTBTR-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM COc1cccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000821868436 599480902 /nfs/dbraw/zinc/48/09/02/599480902.db2.gz QVYRDOZUVRTBTR-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](c4ccco4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645957 599548335 /nfs/dbraw/zinc/54/83/35/599548335.db2.gz XRIIFOBPXGMAPG-NSHDSACASA-N -1 3 377.364 2.910 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](c4ccco4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645957 599548337 /nfs/dbraw/zinc/54/83/37/599548337.db2.gz XRIIFOBPXGMAPG-NSHDSACASA-N -1 3 377.364 2.910 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000819975752 599552104 /nfs/dbraw/zinc/55/21/04/599552104.db2.gz BKXJDKIAAACSCO-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000819975752 599552106 /nfs/dbraw/zinc/55/21/06/599552106.db2.gz BKXJDKIAAACSCO-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395037 601202262 /nfs/dbraw/zinc/20/22/62/601202262.db2.gz ZHWDVVMBAXLQIO-SGTLLEGYSA-N -1 3 387.392 2.594 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000823630085 607495354 /nfs/dbraw/zinc/49/53/54/607495354.db2.gz QVABTIAZBKSRRX-INIZCTEOSA-N -1 3 380.408 2.961 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000823630085 607495355 /nfs/dbraw/zinc/49/53/55/607495355.db2.gz QVABTIAZBKSRRX-INIZCTEOSA-N -1 3 380.408 2.961 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832905744 601729119 /nfs/dbraw/zinc/72/91/19/601729119.db2.gz SFEQRBGBCXOLIG-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000832864014 601740874 /nfs/dbraw/zinc/74/08/74/601740874.db2.gz ZPVUPRSAJGPUOD-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM O=C(COC1CCCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826416874 607525110 /nfs/dbraw/zinc/52/51/10/607525110.db2.gz UQJVLZNLEQNKMN-UHFFFAOYSA-N -1 3 380.792 2.716 20 5 GFBDHM O=C(COC1CCCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826416874 607525111 /nfs/dbraw/zinc/52/51/11/607525111.db2.gz UQJVLZNLEQNKMN-UHFFFAOYSA-N -1 3 380.792 2.716 20 5 GFBDHM O=C(Cc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423261 607525429 /nfs/dbraw/zinc/52/54/29/607525429.db2.gz GPECZGGAJBYJEE-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C(Cc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423261 607525430 /nfs/dbraw/zinc/52/54/30/607525430.db2.gz GPECZGGAJBYJEE-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM COc1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203668 607557839 /nfs/dbraw/zinc/55/78/39/607557839.db2.gz AMCLUFSKNNHEKD-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203668 607557840 /nfs/dbraw/zinc/55/78/40/607557840.db2.gz AMCLUFSKNNHEKD-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821831615 606324536 /nfs/dbraw/zinc/32/45/36/606324536.db2.gz GDXLEFXJVDQQBQ-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM COc1ccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821831615 606324537 /nfs/dbraw/zinc/32/45/37/606324537.db2.gz GDXLEFXJVDQQBQ-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM COc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821787695 606351981 /nfs/dbraw/zinc/35/19/81/606351981.db2.gz YHORQNRAKQCUDN-LLVKDONJSA-N -1 3 383.364 2.630 20 5 GFBDHM COc1ccc(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821787695 606351983 /nfs/dbraw/zinc/35/19/83/606351983.db2.gz YHORQNRAKQCUDN-LLVKDONJSA-N -1 3 383.364 2.630 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000821703132 606430365 /nfs/dbraw/zinc/43/03/65/606430365.db2.gz QAQTZBWTTKINIB-UHFFFAOYSA-N -1 3 393.157 2.733 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])cc1Br ZINC000821703132 606430367 /nfs/dbraw/zinc/43/03/67/606430367.db2.gz QAQTZBWTTKINIB-UHFFFAOYSA-N -1 3 393.157 2.733 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229575 606444428 /nfs/dbraw/zinc/44/44/28/606444428.db2.gz XKPJXTRXHNJEMD-CYBMUJFWSA-N -1 3 395.423 2.986 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229575 606444429 /nfs/dbraw/zinc/44/44/29/606444429.db2.gz XKPJXTRXHNJEMD-CYBMUJFWSA-N -1 3 395.423 2.986 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203276 606561521 /nfs/dbraw/zinc/56/15/21/606561521.db2.gz MCGYYVDYOSGKQD-UHFFFAOYSA-N -1 3 396.338 2.832 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203276 606561522 /nfs/dbraw/zinc/56/15/22/606561522.db2.gz MCGYYVDYOSGKQD-UHFFFAOYSA-N -1 3 396.338 2.832 20 5 GFBDHM CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915685 606588496 /nfs/dbraw/zinc/58/84/96/606588496.db2.gz WLMIRCQFEWICRY-YVEFUNNKSA-N -1 3 396.407 2.810 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823639538 606728903 /nfs/dbraw/zinc/72/89/03/606728903.db2.gz CPVAZEBPOKJFCV-SNVBAGLBSA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823639538 606728904 /nfs/dbraw/zinc/72/89/04/606728904.db2.gz CPVAZEBPOKJFCV-SNVBAGLBSA-N -1 3 387.350 2.744 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822982707 606754427 /nfs/dbraw/zinc/75/44/27/606754427.db2.gz HBDBPKDUCRBKNH-UHFFFAOYSA-N -1 3 397.391 2.720 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822983913 606754451 /nfs/dbraw/zinc/75/44/51/606754451.db2.gz XLRFEXFQNQCLGI-UHFFFAOYSA-N -1 3 392.375 2.704 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822983913 606754453 /nfs/dbraw/zinc/75/44/53/606754453.db2.gz XLRFEXFQNQCLGI-UHFFFAOYSA-N -1 3 392.375 2.704 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2ncn(CCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823635054 606867652 /nfs/dbraw/zinc/86/76/52/606867652.db2.gz QLAPVVCGWRLAHB-UHFFFAOYSA-N -1 3 392.379 2.503 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2ncn(CCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823635054 606867653 /nfs/dbraw/zinc/86/76/53/606867653.db2.gz QLAPVVCGWRLAHB-UHFFFAOYSA-N -1 3 392.379 2.503 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000822238663 606948074 /nfs/dbraw/zinc/94/80/74/606948074.db2.gz PXPYOOBIFKZMQX-HNNXBMFYSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000822238663 606948075 /nfs/dbraw/zinc/94/80/75/606948075.db2.gz PXPYOOBIFKZMQX-HNNXBMFYSA-N -1 3 396.407 2.863 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823070497 606989196 /nfs/dbraw/zinc/98/91/96/606989196.db2.gz AZGSIQBIGQCVAG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823070497 606989198 /nfs/dbraw/zinc/98/91/98/606989198.db2.gz AZGSIQBIGQCVAG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821309938 606989669 /nfs/dbraw/zinc/98/96/69/606989669.db2.gz UNEKIHJRVCADBH-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821309938 606989670 /nfs/dbraw/zinc/98/96/70/606989670.db2.gz UNEKIHJRVCADBH-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823426177 607002492 /nfs/dbraw/zinc/00/24/92/607002492.db2.gz BQXOHKBVLACEAP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823426177 607002494 /nfs/dbraw/zinc/00/24/94/607002494.db2.gz BQXOHKBVLACEAP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM COc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000821839355 607080001 /nfs/dbraw/zinc/08/00/01/607080001.db2.gz UPDATLVTIJGBPI-UHFFFAOYSA-N -1 3 399.363 2.547 20 5 GFBDHM COc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821839355 607080002 /nfs/dbraw/zinc/08/00/02/607080002.db2.gz UPDATLVTIJGBPI-UHFFFAOYSA-N -1 3 399.363 2.547 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826497930 607873632 /nfs/dbraw/zinc/87/36/32/607873632.db2.gz ZFGRUTSGDJTKKZ-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826497930 607873633 /nfs/dbraw/zinc/87/36/33/607873633.db2.gz ZFGRUTSGDJTKKZ-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826422921 607954393 /nfs/dbraw/zinc/95/43/93/607954393.db2.gz QXNROJLYXPBDTM-UHFFFAOYSA-N -1 3 384.783 2.560 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826422921 607954394 /nfs/dbraw/zinc/95/43/94/607954394.db2.gz QXNROJLYXPBDTM-UHFFFAOYSA-N -1 3 384.783 2.560 20 5 GFBDHM C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824479614 607986286 /nfs/dbraw/zinc/98/62/86/607986286.db2.gz OSGJQEOMVFENKE-NSHDSACASA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000824479614 607986287 /nfs/dbraw/zinc/98/62/87/607986287.db2.gz OSGJQEOMVFENKE-NSHDSACASA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824739627 608043784 /nfs/dbraw/zinc/04/37/84/608043784.db2.gz YOTVJRMOGHJHFP-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824739627 608043785 /nfs/dbraw/zinc/04/37/85/608043785.db2.gz YOTVJRMOGHJHFP-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM Cc1nn(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c2cc([N+](=O)[O-])ccc12 ZINC000826334820 608054309 /nfs/dbraw/zinc/05/43/09/608054309.db2.gz KZZXKVCPSNLWRY-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM Cc1nn(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c2cc([N+](=O)[O-])ccc12 ZINC000826334820 608054310 /nfs/dbraw/zinc/05/43/10/608054310.db2.gz KZZXKVCPSNLWRY-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000825793336 608175987 /nfs/dbraw/zinc/17/59/87/608175987.db2.gz QUPAUPHRMOZOGB-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000825793336 608175990 /nfs/dbraw/zinc/17/59/90/608175990.db2.gz QUPAUPHRMOZOGB-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM C[C@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000824708523 608373397 /nfs/dbraw/zinc/37/33/97/608373397.db2.gz YDFLSKABLPOOJH-NSHDSACASA-N -1 3 391.391 2.989 20 5 GFBDHM C[C@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000824708523 608373399 /nfs/dbraw/zinc/37/33/99/608373399.db2.gz YDFLSKABLPOOJH-NSHDSACASA-N -1 3 391.391 2.989 20 5 GFBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473249 608478300 /nfs/dbraw/zinc/47/83/00/608478300.db2.gz QAKSOOFHVGCIAP-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473249 608478302 /nfs/dbraw/zinc/47/83/02/608478302.db2.gz QAKSOOFHVGCIAP-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826423483 608483569 /nfs/dbraw/zinc/48/35/69/608483569.db2.gz QVRVBZIMDQIZMS-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826423483 608483570 /nfs/dbraw/zinc/48/35/70/608483570.db2.gz QVRVBZIMDQIZMS-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627073 608488875 /nfs/dbraw/zinc/48/88/75/608488875.db2.gz TXZCQEZWKZLZKB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627073 608488876 /nfs/dbraw/zinc/48/88/76/608488876.db2.gz TXZCQEZWKZLZKB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341866 608565199 /nfs/dbraw/zinc/56/51/99/608565199.db2.gz RSHZMKSUHUAQLV-MNOVXSKESA-N -1 3 399.411 2.663 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341866 608565201 /nfs/dbraw/zinc/56/52/01/608565201.db2.gz RSHZMKSUHUAQLV-MNOVXSKESA-N -1 3 399.411 2.663 20 5 GFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000826455772 608583102 /nfs/dbraw/zinc/58/31/02/608583102.db2.gz CUWGBBKLDFJMRS-UHFFFAOYSA-N -1 3 399.436 2.692 20 5 GFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000826455772 608583104 /nfs/dbraw/zinc/58/31/04/608583104.db2.gz CUWGBBKLDFJMRS-UHFFFAOYSA-N -1 3 399.436 2.692 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H](F)Cc1ccccc1 ZINC000826450309 609331585 /nfs/dbraw/zinc/33/15/85/609331585.db2.gz GHUHTLVFUNEHTN-NSHDSACASA-N -1 3 390.762 2.948 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H](F)Cc1ccccc1 ZINC000826450309 609331587 /nfs/dbraw/zinc/33/15/87/609331587.db2.gz GHUHTLVFUNEHTN-NSHDSACASA-N -1 3 390.762 2.948 20 5 GFBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826500549 609453827 /nfs/dbraw/zinc/45/38/27/609453827.db2.gz BTBKQNQHADOCAA-UHFFFAOYSA-N -1 3 385.331 2.783 20 5 GFBDHM O=[N+]([O-])c1ccn(CCSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826500549 609453828 /nfs/dbraw/zinc/45/38/28/609453828.db2.gz BTBKQNQHADOCAA-UHFFFAOYSA-N -1 3 385.331 2.783 20 5 GFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825341446 609558353 /nfs/dbraw/zinc/55/83/53/609558353.db2.gz DMYWLXTXXWPMGO-UHFFFAOYSA-N -1 3 385.409 2.924 20 5 GFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825341446 609558354 /nfs/dbraw/zinc/55/83/54/609558354.db2.gz DMYWLXTXXWPMGO-UHFFFAOYSA-N -1 3 385.409 2.924 20 5 GFBDHM CC[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184555 609598111 /nfs/dbraw/zinc/59/81/11/609598111.db2.gz WASOJZGPSKEQOU-SCZZXKLOSA-N -1 3 380.792 2.572 20 5 GFBDHM CC[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184555 609598112 /nfs/dbraw/zinc/59/81/12/609598112.db2.gz WASOJZGPSKEQOU-SCZZXKLOSA-N -1 3 380.792 2.572 20 5 GFBDHM CC(C)(CCC(=O)Nc1cc(I)ccc1[O-])[N+](=O)[O-] ZINC000825765599 660441159 /nfs/dbraw/zinc/44/11/59/660441159.db2.gz YTXYDNIIYVUCOC-UHFFFAOYSA-N -1 3 378.166 2.771 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000832660277 660792408 /nfs/dbraw/zinc/79/24/08/660792408.db2.gz UQAWKCZAPWBNPI-ONGXEEELSA-N -1 3 375.244 2.682 20 5 GFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000067183114 654933238 /nfs/dbraw/zinc/93/32/38/654933238.db2.gz CKSOSFMYYVYLIM-UHFFFAOYSA-N -1 3 381.435 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160173033 655119877 /nfs/dbraw/zinc/11/98/77/655119877.db2.gz YWSMXGZADPHGFM-UHFFFAOYSA-N -1 3 375.244 2.826 20 5 GFBDHM O=C(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1 ZINC000113303011 655207719 /nfs/dbraw/zinc/20/77/19/655207719.db2.gz MIRDVBMQALJACX-UHFFFAOYSA-N -1 3 383.813 2.555 20 5 GFBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119247901 655295059 /nfs/dbraw/zinc/29/50/59/655295059.db2.gz QNJPYXFOGBPEII-ZANVPECISA-N -1 3 384.376 2.689 20 5 GFBDHM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297949 655714580 /nfs/dbraw/zinc/71/45/80/655714580.db2.gz CTIDKXHDLPPPKD-MRVPVSSYSA-N -1 3 383.289 2.777 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H](O)C(F)(F)F ZINC000765743738 656150015 /nfs/dbraw/zinc/15/00/15/656150015.db2.gz XWOSHYOHGSATOQ-KWQFWETISA-N -1 3 390.767 2.537 20 5 GFBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1[N+](=O)[O-] ZINC000777593400 656829165 /nfs/dbraw/zinc/82/91/65/656829165.db2.gz KJHWUJIQLPTRBV-UHFFFAOYSA-N -1 3 386.773 2.622 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000791421713 658095213 /nfs/dbraw/zinc/09/52/13/658095213.db2.gz CJBYARFHGMVGFK-DTWKUNHWSA-N -1 3 394.280 2.805 20 5 GFBDHM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000800966446 659360065 /nfs/dbraw/zinc/36/00/65/659360065.db2.gz IOXNMNYBJIRRQN-HNNXBMFYSA-N -1 3 384.841 2.877 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805032914 659722011 /nfs/dbraw/zinc/72/20/11/659722011.db2.gz AZRFQAJOKJWEEC-UHFFFAOYSA-N -1 3 380.184 2.914 20 5 GFBDHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809860558 659950423 /nfs/dbraw/zinc/95/04/23/659950423.db2.gz RFJRIGWQJQFLLT-SNVBAGLBSA-N -1 3 381.857 2.786 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000849370263 661710151 /nfs/dbraw/zinc/71/01/51/661710151.db2.gz WOGKYCLIXZQOIQ-MRVPVSSYSA-N -1 3 376.221 2.615 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c([N+](=O)[O-])s1 ZINC000866948561 662510814 /nfs/dbraw/zinc/51/08/14/662510814.db2.gz YPNRZPWRZYMUEG-UHFFFAOYSA-N -1 3 387.508 2.974 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@@H]23)c([N+](=O)[O-])s1 ZINC000867028637 662517806 /nfs/dbraw/zinc/51/78/06/662517806.db2.gz VZEMRPRPNIAYMI-YWVKMMECSA-N -1 3 380.538 2.623 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000388548122 563521196 /nfs/dbraw/zinc/52/11/96/563521196.db2.gz JSJQRCZCWMSTAR-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1sccc1Br ZINC000048445362 551156319 /nfs/dbraw/zinc/15/63/19/551156319.db2.gz QJSUELICRUNLHK-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056068793 551176361 /nfs/dbraw/zinc/17/63/61/551176361.db2.gz LLCRSHDJRFKECM-UHFFFAOYSA-N -1 3 385.829 2.909 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000066327381 551186364 /nfs/dbraw/zinc/18/63/64/551186364.db2.gz HTVVTZSZZGKMAS-AWEZNQCLSA-N -1 3 381.479 2.772 20 5 GFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000067985402 551190787 /nfs/dbraw/zinc/19/07/87/551190787.db2.gz AXGARFXVLMCVMK-UHFFFAOYSA-N -1 3 385.829 2.911 20 5 GFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000150893853 551403443 /nfs/dbraw/zinc/40/34/43/551403443.db2.gz CUSZLACCBLAITD-UHFFFAOYSA-N -1 3 380.133 2.791 20 5 GFBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000152198685 551428423 /nfs/dbraw/zinc/42/84/23/551428423.db2.gz GBSIVYKGTCHAAS-UHFFFAOYSA-N -1 3 375.859 2.843 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000183598483 552313878 /nfs/dbraw/zinc/31/38/78/552313878.db2.gz USZCUHKHPZOAQP-UHFFFAOYSA-N -1 3 389.886 2.686 20 5 GFBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000193972083 553008247 /nfs/dbraw/zinc/00/82/47/553008247.db2.gz NZMLULNYIWYEFV-UHFFFAOYSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000194341834 553018094 /nfs/dbraw/zinc/01/80/94/553018094.db2.gz CIVCHJWTSIXQBO-LLVKDONJSA-N -1 3 383.451 2.579 20 5 GFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1I ZINC000444859868 563838548 /nfs/dbraw/zinc/83/85/48/563838548.db2.gz OPRQBNMTGVVUBO-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cccc([N+](=O)[O-])c1Br ZINC000375438430 563405170 /nfs/dbraw/zinc/40/51/70/563405170.db2.gz OXRARJGLPSCFML-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000317883912 563443382 /nfs/dbraw/zinc/44/33/82/563443382.db2.gz ZRLGXIJCUJNHLY-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM COC(=O)CCCO[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000290472673 563710777 /nfs/dbraw/zinc/71/07/77/563710777.db2.gz CUMMHFVMDVPMJI-UHFFFAOYSA-N -1 3 395.593 2.625 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439249270 563720359 /nfs/dbraw/zinc/72/03/59/563720359.db2.gz RTIDBWZDRLRSJI-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1Br ZINC000414474300 563743562 /nfs/dbraw/zinc/74/35/62/563743562.db2.gz XLQYEHUHYIWWMS-UHFFFAOYSA-N -1 3 389.231 2.806 20 5 GFBDHM Cn1ccnc1-c1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000365204210 563777149 /nfs/dbraw/zinc/77/71/49/563777149.db2.gz PEPAOWDXMGAOPK-UHFFFAOYSA-N -1 3 397.214 2.795 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000445706782 563852735 /nfs/dbraw/zinc/85/27/35/563852735.db2.gz HOZMCGUWEFCWCE-SNVBAGLBSA-N -1 3 388.339 2.998 20 5 GFBDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000445755212 563854153 /nfs/dbraw/zinc/85/41/53/563854153.db2.gz GUJSTQUPHASOTH-HNNXBMFYSA-N -1 3 376.862 2.858 20 5 GFBDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935136 563891403 /nfs/dbraw/zinc/89/14/03/563891403.db2.gz DPQZVNBHHYUHIS-ZDUSSCGKSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000542242519 564306592 /nfs/dbraw/zinc/30/65/92/564306592.db2.gz XKJYBFGJRGMOAH-LLVKDONJSA-N -1 3 395.300 2.921 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893713 564363441 /nfs/dbraw/zinc/36/34/41/564363441.db2.gz CEAAZBZAYDOTDS-GXTWGEPZSA-N -1 3 383.451 2.558 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905017 564364337 /nfs/dbraw/zinc/36/43/37/564364337.db2.gz SPGANALDSHVASX-GXTWGEPZSA-N -1 3 383.451 2.558 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511337961 564368041 /nfs/dbraw/zinc/36/80/41/564368041.db2.gz OIALGHPLWAXCIU-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000547352001 564486179 /nfs/dbraw/zinc/48/61/79/564486179.db2.gz NXIUERVGHLBUIW-UHFFFAOYSA-N -1 3 382.463 2.949 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2cn[nH]c21 ZINC000481074961 564502206 /nfs/dbraw/zinc/50/22/06/564502206.db2.gz PBFBKQAHBBZANP-JTQLQIEISA-N -1 3 391.236 2.981 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cn1 ZINC000481225493 564505792 /nfs/dbraw/zinc/50/57/92/564505792.db2.gz ABAGDBNISJLFHV-ZETCQYMHSA-N -1 3 392.256 2.853 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000481806580 564524095 /nfs/dbraw/zinc/52/40/95/564524095.db2.gz KRZROCPPKCQQDX-UHFFFAOYSA-N -1 3 378.801 2.676 20 5 GFBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000552728473 564698860 /nfs/dbraw/zinc/69/88/60/564698860.db2.gz WPLAMXMDMCAFTN-UHFFFAOYSA-N -1 3 387.776 2.548 20 5 GFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000490335954 564768541 /nfs/dbraw/zinc/76/85/41/564768541.db2.gz IIEQYEWKQDVQGA-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM Cc1cc(Cl)cc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000555551858 564798002 /nfs/dbraw/zinc/79/80/02/564798002.db2.gz AEFJPFXNWHGFSJ-UHFFFAOYSA-N -1 3 383.857 2.625 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000582025318 564827839 /nfs/dbraw/zinc/82/78/39/564827839.db2.gz JGQCRQRPZSAWRO-NSHDSACASA-N -1 3 386.788 2.669 20 5 GFBDHM O=C([N-]c1ncnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000582612738 564854904 /nfs/dbraw/zinc/85/49/04/564854904.db2.gz BWSRQNPORPHSAA-UHFFFAOYSA-N -1 3 388.181 2.612 20 5 GFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500157518 564947184 /nfs/dbraw/zinc/94/71/84/564947184.db2.gz OCUMEJQIUHYYGL-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467421099 564963695 /nfs/dbraw/zinc/96/36/95/564963695.db2.gz XIDNJTYDBPVQLK-LLVKDONJSA-N -1 3 375.516 2.754 20 5 GFBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c([N+](=O)[O-])n1 ZINC000535617897 565017177 /nfs/dbraw/zinc/01/71/77/565017177.db2.gz OOCNJFKPUYIONZ-UHFFFAOYSA-N -1 3 380.760 2.852 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000503766542 565027970 /nfs/dbraw/zinc/02/79/70/565027970.db2.gz SZCJKGORNRISMC-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113617 565258409 /nfs/dbraw/zinc/25/84/09/565258409.db2.gz OBAYABUEMGDVBG-GMSGAONNSA-N -1 3 381.273 2.530 20 5 GFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000594850297 565429488 /nfs/dbraw/zinc/42/94/88/565429488.db2.gz DIKYWLLXDNCFJK-ONGXEEELSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000594852841 565430279 /nfs/dbraw/zinc/43/02/79/565430279.db2.gz UATOBJFDIYAQDM-GXSJLCMTSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381394 565471421 /nfs/dbraw/zinc/47/14/21/565471421.db2.gz JNYFQNUYMUZZIP-XHDPSFHLSA-N -1 3 384.841 2.691 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cs1 ZINC000598602800 565628849 /nfs/dbraw/zinc/62/88/49/565628849.db2.gz BTQBCMXLCHXBAS-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM CN1CCCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415642 565677239 /nfs/dbraw/zinc/67/72/39/565677239.db2.gz PTEYOJGBLQNVNU-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000604187436 565926176 /nfs/dbraw/zinc/92/61/76/565926176.db2.gz ZFICNQRNJMGNCJ-UHFFFAOYSA-N -1 3 385.423 2.679 20 5 GFBDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611021767 566111625 /nfs/dbraw/zinc/11/16/25/566111625.db2.gz FOSSASWEWFMHSW-RISCZKNCSA-N -1 3 384.841 2.691 20 5 GFBDHM Cc1ccc(NCCCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000737362088 598889217 /nfs/dbraw/zinc/88/92/17/598889217.db2.gz MYEDWOVDWVPSMC-UHFFFAOYSA-N -1 3 396.411 2.707 20 5 GFBDHM Cc1ccc(NCCCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000737362088 598889218 /nfs/dbraw/zinc/88/92/18/598889218.db2.gz MYEDWOVDWVPSMC-UHFFFAOYSA-N -1 3 396.411 2.707 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000823629941 599069634 /nfs/dbraw/zinc/06/96/34/599069634.db2.gz MWHSORPITNQOLR-UHFFFAOYSA-N -1 3 394.370 2.754 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000823629941 599069637 /nfs/dbraw/zinc/06/96/37/599069637.db2.gz MWHSORPITNQOLR-UHFFFAOYSA-N -1 3 394.370 2.754 20 5 GFBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736109827 599246280 /nfs/dbraw/zinc/24/62/80/599246280.db2.gz ACXCOOIQQKISAQ-SNVBAGLBSA-N -1 3 386.799 2.848 20 5 GFBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736109827 599246283 /nfs/dbraw/zinc/24/62/83/599246283.db2.gz ACXCOOIQQKISAQ-SNVBAGLBSA-N -1 3 386.799 2.848 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000736489419 599278193 /nfs/dbraw/zinc/27/81/93/599278193.db2.gz ZMQJGNVDFZNYDD-UHFFFAOYSA-N -1 3 381.396 2.778 20 5 GFBDHM Nc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737777325 598317748 /nfs/dbraw/zinc/31/77/48/598317748.db2.gz WLYZHOLDSNHZMY-UHFFFAOYSA-N -1 3 390.816 2.819 20 5 GFBDHM Nc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737777325 598317750 /nfs/dbraw/zinc/31/77/50/598317750.db2.gz WLYZHOLDSNHZMY-UHFFFAOYSA-N -1 3 390.816 2.819 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738317744 598379463 /nfs/dbraw/zinc/37/94/63/598379463.db2.gz GFEMGVHUFXXEFF-QPEQYQDCSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738317744 598379465 /nfs/dbraw/zinc/37/94/65/598379465.db2.gz GFEMGVHUFXXEFF-QPEQYQDCSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000738318585 598380541 /nfs/dbraw/zinc/38/05/41/598380541.db2.gz KVKXZNBPRRRHIP-QFJUEOODSA-N -1 3 388.343 2.676 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000738318585 598380543 /nfs/dbraw/zinc/38/05/43/598380543.db2.gz KVKXZNBPRRRHIP-QFJUEOODSA-N -1 3 388.343 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738368239 598458267 /nfs/dbraw/zinc/45/82/67/598458267.db2.gz AZCPMENVFQRDFU-MRXNPFEDSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738368239 598458269 /nfs/dbraw/zinc/45/82/69/598458269.db2.gz AZCPMENVFQRDFU-MRXNPFEDSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000738360489 598613722 /nfs/dbraw/zinc/61/37/22/598613722.db2.gz XIKDZAYWFOXRAK-CYBMUJFWSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000738360489 598613723 /nfs/dbraw/zinc/61/37/23/598613723.db2.gz XIKDZAYWFOXRAK-CYBMUJFWSA-N -1 3 380.364 2.845 20 5 GFBDHM Cc1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000737237727 598808589 /nfs/dbraw/zinc/80/85/89/598808589.db2.gz DQRVBKJZFBQZPL-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737262899 599302387 /nfs/dbraw/zinc/30/23/87/599302387.db2.gz HKGSFEIOTZKVKZ-UHFFFAOYSA-N -1 3 389.755 2.721 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccccc1-c1nnn[n-]1 ZINC000823665735 599346058 /nfs/dbraw/zinc/34/60/58/599346058.db2.gz UAHFGDPMGSTQRM-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccccc1-c1nn[n-]n1 ZINC000823665735 599346059 /nfs/dbraw/zinc/34/60/59/599346059.db2.gz UAHFGDPMGSTQRM-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM CC(C)C[C@@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820054524 599686493 /nfs/dbraw/zinc/68/64/93/599686493.db2.gz AFFJLHOFHPOQAV-GFCCVEGCSA-N -1 3 385.428 2.780 20 5 GFBDHM CC(C)C[C@@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820054524 599686494 /nfs/dbraw/zinc/68/64/94/599686494.db2.gz AFFJLHOFHPOQAV-GFCCVEGCSA-N -1 3 385.428 2.780 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000825632119 607405610 /nfs/dbraw/zinc/40/56/10/607405610.db2.gz LPXJWRQZZAHZNK-UHFFFAOYSA-N -1 3 383.364 2.839 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000825632119 607405612 /nfs/dbraw/zinc/40/56/12/607405612.db2.gz LPXJWRQZZAHZNK-UHFFFAOYSA-N -1 3 383.364 2.839 20 5 GFBDHM CC(=O)c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000824029548 607537004 /nfs/dbraw/zinc/53/70/04/607537004.db2.gz MYJDNVOJDKGYCA-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM CC(=O)c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000824029548 607537006 /nfs/dbraw/zinc/53/70/06/607537006.db2.gz MYJDNVOJDKGYCA-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000833417811 604947892 /nfs/dbraw/zinc/94/78/92/604947892.db2.gz YPSPHMYQEJHKTN-CZUORRHYSA-N -1 3 375.425 2.523 20 5 GFBDHM C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833614913 605019950 /nfs/dbraw/zinc/01/99/50/605019950.db2.gz XJCXBVNNHNNEGM-CYBMUJFWSA-N -1 3 395.481 2.623 20 5 GFBDHM Cn1c(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc21 ZINC000822595778 606064091 /nfs/dbraw/zinc/06/40/91/606064091.db2.gz DMLNIYAKJGZSDA-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM Cn1c(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc21 ZINC000822595778 606064096 /nfs/dbraw/zinc/06/40/96/606064096.db2.gz DMLNIYAKJGZSDA-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820497169 606340307 /nfs/dbraw/zinc/34/03/07/606340307.db2.gz QHRYQSOTTCDXBP-LBPRGKRZSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820497169 606340309 /nfs/dbraw/zinc/34/03/09/606340309.db2.gz QHRYQSOTTCDXBP-LBPRGKRZSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000820455658 606429985 /nfs/dbraw/zinc/42/99/85/606429985.db2.gz KLQIADQFFLVKLR-LLVKDONJSA-N -1 3 392.379 2.922 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000820455658 606429987 /nfs/dbraw/zinc/42/99/87/606429987.db2.gz KLQIADQFFLVKLR-LLVKDONJSA-N -1 3 392.379 2.922 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228765 606448154 /nfs/dbraw/zinc/44/81/54/606448154.db2.gz FDPRRVNSONVRTJ-XPSMFNQNSA-N -1 3 378.392 2.974 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228765 606448156 /nfs/dbraw/zinc/44/81/56/606448156.db2.gz FDPRRVNSONVRTJ-XPSMFNQNSA-N -1 3 378.392 2.974 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000823422138 606558273 /nfs/dbraw/zinc/55/82/73/606558273.db2.gz OJDHDJUJALVDOJ-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000823422138 606558275 /nfs/dbraw/zinc/55/82/75/606558275.db2.gz OJDHDJUJALVDOJ-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823107676 606623376 /nfs/dbraw/zinc/62/33/76/606623376.db2.gz FDDVQWLJIYHMAB-UHFFFAOYSA-N -1 3 375.348 2.504 20 5 GFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823107676 606623377 /nfs/dbraw/zinc/62/33/77/606623377.db2.gz FDDVQWLJIYHMAB-UHFFFAOYSA-N -1 3 375.348 2.504 20 5 GFBDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820503269 606671512 /nfs/dbraw/zinc/67/15/12/606671512.db2.gz ZPXCUMNTFWRTJB-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820503269 606671513 /nfs/dbraw/zinc/67/15/13/606671513.db2.gz ZPXCUMNTFWRTJB-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000822153679 606738688 /nfs/dbraw/zinc/73/86/88/606738688.db2.gz OVNIETLVGUIFCH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000822153679 606738689 /nfs/dbraw/zinc/73/86/89/606738689.db2.gz OVNIETLVGUIFCH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CN(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581735 607162467 /nfs/dbraw/zinc/16/24/67/607162467.db2.gz UHKOYCMSHPMJOV-CYBMUJFWSA-N -1 3 388.819 2.538 20 5 GFBDHM CN(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581735 607162470 /nfs/dbraw/zinc/16/24/70/607162470.db2.gz UHKOYCMSHPMJOV-CYBMUJFWSA-N -1 3 388.819 2.538 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823318327 607240795 /nfs/dbraw/zinc/24/07/95/607240795.db2.gz BYLLIHJLJOYPMY-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823318327 607240796 /nfs/dbraw/zinc/24/07/96/607240796.db2.gz BYLLIHJLJOYPMY-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380851 607795485 /nfs/dbraw/zinc/79/54/85/607795485.db2.gz VTTSWJIYHLAZMW-UHFFFAOYSA-N -1 3 397.351 2.658 20 5 GFBDHM CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380851 607795486 /nfs/dbraw/zinc/79/54/86/607795486.db2.gz VTTSWJIYHLAZMW-UHFFFAOYSA-N -1 3 397.351 2.658 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826408520 607833437 /nfs/dbraw/zinc/83/34/37/607833437.db2.gz JRSWZHIHHHIBOE-UHFFFAOYSA-N -1 3 378.392 2.687 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826408520 607833438 /nfs/dbraw/zinc/83/34/38/607833438.db2.gz JRSWZHIHHHIBOE-UHFFFAOYSA-N -1 3 378.392 2.687 20 5 GFBDHM O=C(Nc1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000826457345 607839837 /nfs/dbraw/zinc/83/98/37/607839837.db2.gz XFUAHHPDOZNKHQ-UHFFFAOYSA-N -1 3 393.407 2.630 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826292411 607866948 /nfs/dbraw/zinc/86/69/48/607866948.db2.gz UDGYMYWSVCTXNJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826292411 607866949 /nfs/dbraw/zinc/86/69/49/607866949.db2.gz UDGYMYWSVCTXNJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1nc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826323338 608162006 /nfs/dbraw/zinc/16/20/06/608162006.db2.gz AHIOHHAEWRWFAW-UHFFFAOYSA-N -1 3 379.789 2.754 20 5 GFBDHM Cc1nc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826323338 608162007 /nfs/dbraw/zinc/16/20/07/608162007.db2.gz AHIOHHAEWRWFAW-UHFFFAOYSA-N -1 3 379.789 2.754 20 5 GFBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189973 608239869 /nfs/dbraw/zinc/23/98/69/608239869.db2.gz LDDHYCAQWBFSGM-PIGZYNQJSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189973 608239870 /nfs/dbraw/zinc/23/98/70/608239870.db2.gz LDDHYCAQWBFSGM-PIGZYNQJSA-N -1 3 384.396 2.972 20 5 GFBDHM COCC1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826152648 608297512 /nfs/dbraw/zinc/29/75/12/608297512.db2.gz ILGMLLRQHNXGAD-UHFFFAOYSA-N -1 3 383.412 2.576 20 5 GFBDHM COCC1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000826152648 608297514 /nfs/dbraw/zinc/29/75/14/608297514.db2.gz ILGMLLRQHNXGAD-UHFFFAOYSA-N -1 3 383.412 2.576 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824487888 608417920 /nfs/dbraw/zinc/41/79/20/608417920.db2.gz CVPXQDOZOVATHT-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824487888 608417921 /nfs/dbraw/zinc/41/79/21/608417921.db2.gz CVPXQDOZOVATHT-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000826465836 608437524 /nfs/dbraw/zinc/43/75/24/608437524.db2.gz FTXZGIRGJYQNDC-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000826465836 608437525 /nfs/dbraw/zinc/43/75/25/608437525.db2.gz FTXZGIRGJYQNDC-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826466025 608448873 /nfs/dbraw/zinc/44/88/73/608448873.db2.gz MRYDJXHUVSVABQ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826466025 608448874 /nfs/dbraw/zinc/44/88/74/608448874.db2.gz MRYDJXHUVSVABQ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826272287 608569491 /nfs/dbraw/zinc/56/94/91/608569491.db2.gz CDACWFHFOHIIQG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826272287 608569493 /nfs/dbraw/zinc/56/94/93/608569493.db2.gz CDACWFHFOHIIQG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1c(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cccc1[N+](=O)[O-] ZINC000826234727 608571646 /nfs/dbraw/zinc/57/16/46/608571646.db2.gz LGZVICTYHNWDAD-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1c(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cccc1[N+](=O)[O-] ZINC000826234727 608571648 /nfs/dbraw/zinc/57/16/48/608571648.db2.gz LGZVICTYHNWDAD-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1nc(C)c(CC(=O)OCc2ccc(Br)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000820250249 660286487 /nfs/dbraw/zinc/28/64/87/660286487.db2.gz DGLOIJHAOUJBLJ-UHFFFAOYSA-N -1 3 396.197 2.756 20 5 GFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000024883635 654545816 /nfs/dbraw/zinc/54/58/16/654545816.db2.gz QOQFEYLDVBDVMF-UHFFFAOYSA-N -1 3 381.435 2.697 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000040679158 654621603 /nfs/dbraw/zinc/62/16/03/654621603.db2.gz JHZKZQALEJGYIS-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000271471988 655082358 /nfs/dbraw/zinc/08/23/58/655082358.db2.gz SNOSJUSGDMKNPW-SECBINFHSA-N -1 3 389.430 2.685 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000271471990 655082437 /nfs/dbraw/zinc/08/24/37/655082437.db2.gz SNOSJUSGDMKNPW-VIFPVBQESA-N -1 3 389.430 2.685 20 5 GFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173175323 655164935 /nfs/dbraw/zinc/16/49/35/655164935.db2.gz YUXPZGIDCMSLME-SNVBAGLBSA-N -1 3 395.275 2.841 20 5 GFBDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120162231 655329788 /nfs/dbraw/zinc/32/97/88/655329788.db2.gz PDXXPOOICNJQFZ-UHFFFAOYSA-N -1 3 389.842 2.812 20 5 GFBDHM Cc1c(Br)cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000473852893 655414909 /nfs/dbraw/zinc/41/49/09/655414909.db2.gz VOUSAVYUBPZVKV-CYBMUJFWSA-N -1 3 395.213 2.915 20 5 GFBDHM O=c1[n-]ccc(N2CCN(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000596227403 655515033 /nfs/dbraw/zinc/51/50/33/655515033.db2.gz WOXWCJAAABBNJL-UHFFFAOYSA-N -1 3 379.214 2.785 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000725822605 655527023 /nfs/dbraw/zinc/52/70/23/655527023.db2.gz HUIHPOXTXLIVTJ-NWDGAFQWSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000725822970 655527059 /nfs/dbraw/zinc/52/70/59/655527059.db2.gz PEBJIOMRKSZKIW-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1cccc(F)c1 ZINC000751485618 655829703 /nfs/dbraw/zinc/82/97/03/655829703.db2.gz IDEYPRUEEZIVBR-PSLIRLAXSA-N -1 3 388.804 2.788 20 5 GFBDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000766578714 656176966 /nfs/dbraw/zinc/17/69/66/656176966.db2.gz YLVHNTNHMYQZRN-LURJTMIESA-N -1 3 391.165 2.977 20 5 GFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000779890823 656956318 /nfs/dbraw/zinc/95/63/18/656956318.db2.gz RXUCANVEHBWAJX-UHFFFAOYSA-N -1 3 386.861 2.868 20 5 GFBDHM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796010010 658880030 /nfs/dbraw/zinc/88/00/30/658880030.db2.gz FKHPBUJFTUYOMY-HNNXBMFYSA-N -1 3 384.841 2.823 20 5 GFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000849461025 661730050 /nfs/dbraw/zinc/73/00/50/661730050.db2.gz SJPODHIGRDFDLV-KOLCDFICSA-N -1 3 393.259 2.593 20 5 GFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1(F)F ZINC000851820097 661834781 /nfs/dbraw/zinc/83/47/81/661834781.db2.gz QSQSITVNFPMOTI-SNVBAGLBSA-N -1 3 399.213 2.927 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)c(C(F)(F)F)c1 ZINC000867885456 662585363 /nfs/dbraw/zinc/58/53/63/662585363.db2.gz NIQRCKQTPVIKTB-OLZOCXBDSA-N -1 3 380.344 2.604 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000131269477 551373250 /nfs/dbraw/zinc/37/32/50/551373250.db2.gz CTJSFABXMGITEP-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000147145574 551398071 /nfs/dbraw/zinc/39/80/71/551398071.db2.gz ZINLEQZFIWYHTF-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccc(O)cc2)c1 ZINC000158328380 551550523 /nfs/dbraw/zinc/55/05/23/551550523.db2.gz ROZZKYMYFKRXFX-UHFFFAOYSA-N -1 3 387.211 2.541 20 5 GFBDHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163317950 551618279 /nfs/dbraw/zinc/61/82/79/551618279.db2.gz XMOHKYGKLJYARR-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000178953454 552180131 /nfs/dbraw/zinc/18/01/31/552180131.db2.gz DBIIUJRAHZQBDW-HNNXBMFYSA-N -1 3 381.479 2.973 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246983571 553116675 /nfs/dbraw/zinc/11/66/75/553116675.db2.gz TVGLVOCGYFAQEB-NILFDRSVSA-N -1 3 386.857 2.874 20 5 GFBDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278414084 563254497 /nfs/dbraw/zinc/25/44/97/563254497.db2.gz POFGGZCXIZXKQP-UHFFFAOYSA-N -1 3 379.316 2.697 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCC1(O)CCC1 ZINC000420718841 563278894 /nfs/dbraw/zinc/27/88/94/563278894.db2.gz PDUGBGGTXADFNG-UHFFFAOYSA-N -1 3 382.360 2.587 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301806276 563412698 /nfs/dbraw/zinc/41/26/98/563412698.db2.gz VUEBKFDEAVGYSM-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000303256146 563433102 /nfs/dbraw/zinc/43/31/02/563433102.db2.gz BYQHADHWKQZCDT-UHFFFAOYSA-N -1 3 392.767 2.884 20 5 GFBDHM COc1cccc(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000435822991 563659581 /nfs/dbraw/zinc/65/95/81/563659581.db2.gz XIFIQZQMAHUOFP-UHFFFAOYSA-N -1 3 384.797 2.913 20 5 GFBDHM CC(C)OCc1nc([C@H](C)[N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000290789912 563721277 /nfs/dbraw/zinc/72/12/77/563721277.db2.gz NYBSIZRFVKARBV-QMMMGPOBSA-N -1 3 390.443 2.541 20 5 GFBDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000443028439 563788605 /nfs/dbraw/zinc/78/86/05/563788605.db2.gz UUYQAYBLNYZKJP-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)nc2c1 ZINC000443982374 563817635 /nfs/dbraw/zinc/81/76/35/563817635.db2.gz QGBDEMVXWCAXIT-UHFFFAOYSA-N -1 3 384.776 2.742 20 5 GFBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459540 563832389 /nfs/dbraw/zinc/83/23/89/563832389.db2.gz SDQQFCZYALLFGK-SECBINFHSA-N -1 3 384.376 2.689 20 5 GFBDHM COC1CCC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000416546209 563846563 /nfs/dbraw/zinc/84/65/63/563846563.db2.gz SDWTXVUVNWCXDS-UHFFFAOYSA-N -1 3 393.259 2.593 20 5 GFBDHM CC(=O)N1Cc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2C1 ZINC000367788862 563855410 /nfs/dbraw/zinc/85/54/10/563855410.db2.gz ACCLAROXVPUMGM-UHFFFAOYSA-N -1 3 381.435 2.666 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)cc1C ZINC000472302141 564220232 /nfs/dbraw/zinc/22/02/32/564220232.db2.gz AEVRRJVAKDCCAQ-UHFFFAOYSA-N -1 3 385.829 2.617 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c(Cl)c1 ZINC000542322719 564310588 /nfs/dbraw/zinc/31/05/88/564310588.db2.gz WQLBFUJOMICEIO-AWEZNQCLSA-N -1 3 384.841 2.520 20 5 GFBDHM CCC[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000510507054 564336612 /nfs/dbraw/zinc/33/66/12/564336612.db2.gz WPYGYBFBRBRSDX-ZDUSSCGKSA-N -1 3 393.259 2.595 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000511023569 564353926 /nfs/dbraw/zinc/35/39/26/564353926.db2.gz AMJBWZTVWSJBAL-ZETCQYMHSA-N -1 3 377.756 2.961 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000544597290 564389463 /nfs/dbraw/zinc/38/94/63/564389463.db2.gz ZCKIHSWEFCRGOK-GFCCVEGCSA-N -1 3 388.804 2.708 20 5 GFBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2cncc(F)c2)cc(C(F)(F)F)c1 ZINC000487340096 564683485 /nfs/dbraw/zinc/68/34/85/564683485.db2.gz OQDNRYWCZBJBFA-UHFFFAOYSA-N -1 3 379.291 2.626 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000490093643 564763099 /nfs/dbraw/zinc/76/30/99/564763099.db2.gz PORSMHJDEZGJJL-AWEZNQCLSA-N -1 3 376.862 2.714 20 5 GFBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462709549 564856111 /nfs/dbraw/zinc/85/61/11/564856111.db2.gz UYKHTMDFPQDFLG-CHWSQXEVSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC000467064219 564954686 /nfs/dbraw/zinc/95/46/86/564954686.db2.gz MMUCUHMJUFNEHZ-UHFFFAOYSA-N -1 3 384.435 2.605 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000467402361 564962763 /nfs/dbraw/zinc/96/27/63/564962763.db2.gz RSCDROYEHVTYNT-HNNXBMFYSA-N -1 3 383.495 2.854 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143364 565005697 /nfs/dbraw/zinc/00/56/97/565005697.db2.gz RTTDXHIBECYTKW-YYUOZPCZSA-N -1 3 382.463 2.680 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000619170509 565330956 /nfs/dbraw/zinc/33/09/56/565330956.db2.gz AHHXBZNYCBHVLK-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000619487011 565343646 /nfs/dbraw/zinc/34/36/46/565343646.db2.gz SAYDXEYIWMPKBE-CYBMUJFWSA-N -1 3 383.451 2.798 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)CC(=O)c1cccs1 ZINC000619493727 565344378 /nfs/dbraw/zinc/34/43/78/565344378.db2.gz KJDPAPWKPNGJNR-JTQLQIEISA-N -1 3 384.435 2.605 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(Br)c1 ZINC000593644030 565351793 /nfs/dbraw/zinc/35/17/93/565351793.db2.gz LEJMPMOTJIXKIC-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488219 565395710 /nfs/dbraw/zinc/39/57/10/565395710.db2.gz QRXSPYFVYXUVCK-GXFFZTMASA-N -1 3 382.360 2.682 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594850166 565429552 /nfs/dbraw/zinc/42/95/52/565429552.db2.gz CGWIQGPWGAMOGP-JTQLQIEISA-N -1 3 385.186 2.681 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000610591743 566090441 /nfs/dbraw/zinc/09/04/41/566090441.db2.gz UIXLSIARRJOXHA-UHFFFAOYSA-N -1 3 382.266 2.769 20 5 GFBDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613473540 566198889 /nfs/dbraw/zinc/19/88/89/566198889.db2.gz DAWIJFIHALOVJR-LLVKDONJSA-N -1 3 384.435 2.775 20 5 GFBDHM CC(C)Oc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735915277 599171032 /nfs/dbraw/zinc/17/10/32/599171032.db2.gz OFJYLUPTASSQIY-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735915277 599171034 /nfs/dbraw/zinc/17/10/34/599171034.db2.gz OFJYLUPTASSQIY-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(=O)N(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)C(C)C ZINC000735460893 599205755 /nfs/dbraw/zinc/20/57/55/599205755.db2.gz OFGNFISWGPDRQU-UHFFFAOYSA-N -1 3 396.411 2.670 20 5 GFBDHM CC(=O)N(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)C(C)C ZINC000735460893 599205756 /nfs/dbraw/zinc/20/57/56/599205756.db2.gz OFGNFISWGPDRQU-UHFFFAOYSA-N -1 3 396.411 2.670 20 5 GFBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823331836 607263294 /nfs/dbraw/zinc/26/32/94/607263294.db2.gz HQNUMWQGFBTHRU-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823331836 607263295 /nfs/dbraw/zinc/26/32/95/607263295.db2.gz HQNUMWQGFBTHRU-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ccc1[N+](=O)[O-] ZINC000737271614 598245042 /nfs/dbraw/zinc/24/50/42/598245042.db2.gz MIKBVKPWNKELCT-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738260809 598450649 /nfs/dbraw/zinc/45/06/49/598450649.db2.gz GEVRZPLJWVIZLH-UHFFFAOYSA-N -1 3 399.798 2.880 20 5 GFBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738260809 598450651 /nfs/dbraw/zinc/45/06/51/598450651.db2.gz GEVRZPLJWVIZLH-UHFFFAOYSA-N -1 3 399.798 2.880 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000737832703 598648375 /nfs/dbraw/zinc/64/83/75/598648375.db2.gz KINAPWLKAPZCJQ-UHFFFAOYSA-N -1 3 382.380 2.963 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000737832703 598648377 /nfs/dbraw/zinc/64/83/77/598648377.db2.gz KINAPWLKAPZCJQ-UHFFFAOYSA-N -1 3 382.380 2.963 20 5 GFBDHM CCc1nc2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736707678 598669140 /nfs/dbraw/zinc/66/91/40/598669140.db2.gz YPCFZVQKWSAOOM-UHFFFAOYSA-N -1 3 378.396 2.799 20 5 GFBDHM CCc1nc2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736707678 598669142 /nfs/dbraw/zinc/66/91/42/598669142.db2.gz YPCFZVQKWSAOOM-UHFFFAOYSA-N -1 3 378.396 2.799 20 5 GFBDHM CCc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)s1 ZINC000736692605 599528523 /nfs/dbraw/zinc/52/85/23/599528523.db2.gz RWSLFBOVZSFWAI-UHFFFAOYSA-N -1 3 399.480 2.721 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000826252031 607388391 /nfs/dbraw/zinc/38/83/91/607388391.db2.gz LNGXWFGEOLHYQG-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000826252031 607388394 /nfs/dbraw/zinc/38/83/94/607388394.db2.gz LNGXWFGEOLHYQG-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821846260 607407735 /nfs/dbraw/zinc/40/77/35/607407735.db2.gz OWBKUUIXSDIRRA-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821846260 607407736 /nfs/dbraw/zinc/40/77/36/607407736.db2.gz OWBKUUIXSDIRRA-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM CNc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821637496 607408765 /nfs/dbraw/zinc/40/87/65/607408765.db2.gz IJQBDHGZJSDYCP-UHFFFAOYSA-N -1 3 397.395 2.856 20 5 GFBDHM CNc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821637496 607408768 /nfs/dbraw/zinc/40/87/68/607408768.db2.gz IJQBDHGZJSDYCP-UHFFFAOYSA-N -1 3 397.395 2.856 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000821745271 607413909 /nfs/dbraw/zinc/41/39/09/607413909.db2.gz MVMLXGLJZCMKKE-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000821745271 607413910 /nfs/dbraw/zinc/41/39/10/607413910.db2.gz MVMLXGLJZCMKKE-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171295 601013213 /nfs/dbraw/zinc/01/32/13/601013213.db2.gz NJQIHBBRQKKTHF-XJKSGUPXSA-N -1 3 376.800 2.955 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCn4ccnc43)cc(-c3nnn[n-]3)c2c1 ZINC000826499269 607558516 /nfs/dbraw/zinc/55/85/16/607558516.db2.gz BWTIXDQPLOYSFZ-NSHDSACASA-N -1 3 391.395 2.509 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCn4ccnc43)cc(-c3nn[n-]n3)c2c1 ZINC000826499269 607558517 /nfs/dbraw/zinc/55/85/17/607558517.db2.gz BWTIXDQPLOYSFZ-NSHDSACASA-N -1 3 391.395 2.509 20 5 GFBDHM Cc1cccc(NCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822323887 606125381 /nfs/dbraw/zinc/12/53/81/606125381.db2.gz QEKNYQVGWQUDBG-UHFFFAOYSA-N -1 3 391.395 2.551 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC000823640104 606137061 /nfs/dbraw/zinc/13/70/61/606137061.db2.gz SNAMELXEJBCGOA-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000823640104 606137063 /nfs/dbraw/zinc/13/70/63/606137063.db2.gz SNAMELXEJBCGOA-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820562305 606143530 /nfs/dbraw/zinc/14/35/30/606143530.db2.gz FJNGHWYNGMFUMM-DQQVXTMASA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820562305 606143531 /nfs/dbraw/zinc/14/35/31/606143531.db2.gz FJNGHWYNGMFUMM-DQQVXTMASA-N -1 3 386.437 2.710 20 5 GFBDHM O=[N+]([O-])c1ccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000823634458 606161105 /nfs/dbraw/zinc/16/11/05/606161105.db2.gz GDQKTIAYDVHZKD-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823639817 606201411 /nfs/dbraw/zinc/20/14/11/606201411.db2.gz HUJBOHREHMVOCR-NHYWBVRUSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000823639817 606201413 /nfs/dbraw/zinc/20/14/13/606201413.db2.gz HUJBOHREHMVOCR-NHYWBVRUSA-N -1 3 386.437 2.929 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508469 606346356 /nfs/dbraw/zinc/34/63/56/606346356.db2.gz PGZDZQQWEUCXBA-VIFPVBQESA-N -1 3 384.308 2.601 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508469 606346358 /nfs/dbraw/zinc/34/63/58/606346358.db2.gz PGZDZQQWEUCXBA-VIFPVBQESA-N -1 3 384.308 2.601 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820461331 606429681 /nfs/dbraw/zinc/42/96/81/606429681.db2.gz HWPOQWDMIWNAEV-LLVKDONJSA-N -1 3 392.379 2.922 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820461331 606429683 /nfs/dbraw/zinc/42/96/83/606429683.db2.gz HWPOQWDMIWNAEV-LLVKDONJSA-N -1 3 392.379 2.922 20 5 GFBDHM CCOc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000821400429 606462091 /nfs/dbraw/zinc/46/20/91/606462091.db2.gz JMZUHBLMJBZGAS-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM CCOc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000821400429 606462092 /nfs/dbraw/zinc/46/20/92/606462092.db2.gz JMZUHBLMJBZGAS-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM Cc1cc(C)c(NC(=O)CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(C)c1 ZINC000822194040 606644768 /nfs/dbraw/zinc/64/47/68/606644768.db2.gz GPCLIYKUPYHXLB-UHFFFAOYSA-N -1 3 381.396 2.751 20 5 GFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000820456873 606725347 /nfs/dbraw/zinc/72/53/47/606725347.db2.gz WPSZIQWJRPOGQY-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000820456873 606725349 /nfs/dbraw/zinc/72/53/49/606725349.db2.gz WPSZIQWJRPOGQY-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820556171 606972589 /nfs/dbraw/zinc/97/25/89/606972589.db2.gz SGEMUGWZCQGEJV-NSHDSACASA-N -1 3 384.421 2.919 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820556171 606972590 /nfs/dbraw/zinc/97/25/90/606972590.db2.gz SGEMUGWZCQGEJV-NSHDSACASA-N -1 3 384.421 2.919 20 5 GFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821294834 607100589 /nfs/dbraw/zinc/10/05/89/607100589.db2.gz YUUWOCPHDMINIC-BJMVGYQFSA-N -1 3 379.380 2.859 20 5 GFBDHM Cc1c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cccc1[N+](=O)[O-] ZINC000822122038 607166079 /nfs/dbraw/zinc/16/60/79/607166079.db2.gz JCUUZYUIVZYWTO-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cccc1[N+](=O)[O-] ZINC000822122038 607166081 /nfs/dbraw/zinc/16/60/81/607166081.db2.gz JCUUZYUIVZYWTO-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822969410 607191122 /nfs/dbraw/zinc/19/11/22/607191122.db2.gz NSRXRGLUJKQUAA-UHFFFAOYSA-N -1 3 387.787 2.869 20 5 GFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822969410 607191123 /nfs/dbraw/zinc/19/11/23/607191123.db2.gz NSRXRGLUJKQUAA-UHFFFAOYSA-N -1 3 387.787 2.869 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823318966 607242643 /nfs/dbraw/zinc/24/26/43/607242643.db2.gz NZBNFERUCDSDHG-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823318966 607242644 /nfs/dbraw/zinc/24/26/44/607242644.db2.gz NZBNFERUCDSDHG-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826272585 607863691 /nfs/dbraw/zinc/86/36/91/607863691.db2.gz RADJHTVYZDXVKO-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826272585 607863692 /nfs/dbraw/zinc/86/36/92/607863692.db2.gz RADJHTVYZDXVKO-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826497315 607873520 /nfs/dbraw/zinc/87/35/20/607873520.db2.gz CDUCSSRCNCGYNR-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826497315 607873521 /nfs/dbraw/zinc/87/35/21/607873521.db2.gz CDUCSSRCNCGYNR-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM Cc1c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cccc1-c1nnn[n-]1 ZINC000826241482 607961913 /nfs/dbraw/zinc/96/19/13/607961913.db2.gz FKVOQHXPTZKERL-UHFFFAOYSA-N -1 3 379.380 2.674 20 5 GFBDHM Cc1c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cccc1-c1nn[n-]n1 ZINC000826241482 607961914 /nfs/dbraw/zinc/96/19/14/607961914.db2.gz FKVOQHXPTZKERL-UHFFFAOYSA-N -1 3 379.380 2.674 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824147685 607976228 /nfs/dbraw/zinc/97/62/28/607976228.db2.gz GVVIDOOTZARATC-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000824147685 607976229 /nfs/dbraw/zinc/97/62/29/607976229.db2.gz GVVIDOOTZARATC-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825958424 608105643 /nfs/dbraw/zinc/10/56/43/608105643.db2.gz VYRNFVVTIMRZJC-UHFFFAOYSA-N -1 3 377.364 2.528 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825958424 608105644 /nfs/dbraw/zinc/10/56/44/608105644.db2.gz VYRNFVVTIMRZJC-UHFFFAOYSA-N -1 3 377.364 2.528 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826278676 608238818 /nfs/dbraw/zinc/23/88/18/608238818.db2.gz NWMYWKJUBLAPFQ-UHFFFAOYSA-N -1 3 375.348 2.884 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826278676 608238819 /nfs/dbraw/zinc/23/88/19/608238819.db2.gz NWMYWKJUBLAPFQ-UHFFFAOYSA-N -1 3 375.348 2.884 20 5 GFBDHM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213820 608242220 /nfs/dbraw/zinc/24/22/20/608242220.db2.gz CZNYFPRIVFGRLM-ZBEGNZNMSA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213820 608242222 /nfs/dbraw/zinc/24/22/22/608242222.db2.gz CZNYFPRIVFGRLM-ZBEGNZNMSA-N -1 3 383.412 2.939 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3c(cc1-c1nnn[n-]1)CCCC3)C2 ZINC000826500325 608300733 /nfs/dbraw/zinc/30/07/33/608300733.db2.gz UFGPHTFPJLUWDU-UHFFFAOYSA-N -1 3 377.408 2.611 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3c(cc1-c1nn[n-]n1)CCCC3)C2 ZINC000826500325 608300734 /nfs/dbraw/zinc/30/07/34/608300734.db2.gz UFGPHTFPJLUWDU-UHFFFAOYSA-N -1 3 377.408 2.611 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826440792 608302017 /nfs/dbraw/zinc/30/20/17/608302017.db2.gz AMJARUPXRFLVMV-UHFFFAOYSA-N -1 3 389.375 2.700 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000826440792 608302019 /nfs/dbraw/zinc/30/20/19/608302019.db2.gz AMJARUPXRFLVMV-UHFFFAOYSA-N -1 3 389.375 2.700 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824487881 608417809 /nfs/dbraw/zinc/41/78/09/608417809.db2.gz CVPXQDOZOVATHT-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824487881 608417811 /nfs/dbraw/zinc/41/78/11/608417811.db2.gz CVPXQDOZOVATHT-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826465790 608437530 /nfs/dbraw/zinc/43/75/30/608437530.db2.gz CFXDUTFTWGYLPP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826465790 608437532 /nfs/dbraw/zinc/43/75/32/608437532.db2.gz CFXDUTFTWGYLPP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826422955 608487275 /nfs/dbraw/zinc/48/72/75/608487275.db2.gz SKPDAFQIGZSJPY-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826422955 608487276 /nfs/dbraw/zinc/48/72/76/608487276.db2.gz SKPDAFQIGZSJPY-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826293187 608556825 /nfs/dbraw/zinc/55/68/25/608556825.db2.gz DZKYFDRQLWGFFI-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826293187 608556827 /nfs/dbraw/zinc/55/68/27/608556827.db2.gz DZKYFDRQLWGFFI-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826418883 609342223 /nfs/dbraw/zinc/34/22/23/609342223.db2.gz ZZYBANUIHUGMCG-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826418883 609342224 /nfs/dbraw/zinc/34/22/24/609342224.db2.gz ZZYBANUIHUGMCG-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826465932 609395729 /nfs/dbraw/zinc/39/57/29/609395729.db2.gz IVSMOUXTSFRBAX-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826465932 609395731 /nfs/dbraw/zinc/39/57/31/609395731.db2.gz IVSMOUXTSFRBAX-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000053671500 654749186 /nfs/dbraw/zinc/74/91/86/654749186.db2.gz ODSORADKRHGQFV-UHFFFAOYSA-N -1 3 385.785 2.677 20 5 GFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1Br ZINC000129709828 654871571 /nfs/dbraw/zinc/87/15/71/654871571.db2.gz JMECREWHVAXLAP-UHFFFAOYSA-N -1 3 380.133 2.791 20 5 GFBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119172192 655291809 /nfs/dbraw/zinc/29/18/09/655291809.db2.gz UKVBNLNKJZNXRR-LBPRGKRZSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422451 658096345 /nfs/dbraw/zinc/09/63/45/658096345.db2.gz GDPMDNRSPPKIJA-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809809638 659940527 /nfs/dbraw/zinc/94/05/27/659940527.db2.gz UKBAFYLLBDVJGJ-UHFFFAOYSA-N -1 3 393.868 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCn2ccnc2)c(Cl)cc1Cl ZINC000809829968 659946008 /nfs/dbraw/zinc/94/60/08/659946008.db2.gz PIFLBZWGEXTBGP-UHFFFAOYSA-N -1 3 393.252 2.857 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000814990022 660100326 /nfs/dbraw/zinc/10/03/26/660100326.db2.gz YEVTWDZADIMCFK-GHMZBOCLSA-N -1 3 393.868 2.929 20 5 GFBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035618 660105375 /nfs/dbraw/zinc/10/53/75/660105375.db2.gz NPWYUPRJILRXHG-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CS1 ZINC000841557826 661300155 /nfs/dbraw/zinc/30/01/55/661300155.db2.gz HCOSKLDOWXZRMI-HTQZYQBOSA-N -1 3 381.273 2.530 20 5 GFBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000920045115 664521108 /nfs/dbraw/zinc/52/11/08/664521108.db2.gz RDAQIRJLAPSWIE-ZDUSSCGKSA-N -1 3 375.516 2.691 20 5 GFBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055620506 551173375 /nfs/dbraw/zinc/17/33/75/551173375.db2.gz QEXYEXJSNVGGTL-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000128744411 551351759 /nfs/dbraw/zinc/35/17/59/551351759.db2.gz RCMKDAXUKHXRTO-UHFFFAOYSA-N -1 3 397.265 2.749 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(F)c1 ZINC000153669415 551457879 /nfs/dbraw/zinc/45/78/79/551457879.db2.gz OMWGTLDICAKQOU-UHFFFAOYSA-N -1 3 383.382 2.929 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000157706489 551541470 /nfs/dbraw/zinc/54/14/70/551541470.db2.gz TUXSZRGXAATZON-STQMWFEESA-N -1 3 393.259 2.593 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000158880773 551557850 /nfs/dbraw/zinc/55/78/50/551557850.db2.gz OFNXONVRSMCPIU-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000174030771 552097448 /nfs/dbraw/zinc/09/74/48/552097448.db2.gz VEYLPUFEQKOMFQ-UHFFFAOYSA-N -1 3 381.357 2.591 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000179671178 552199978 /nfs/dbraw/zinc/19/99/78/552199978.db2.gz SZAKDVWJYCQXEK-UHFFFAOYSA-N -1 3 375.328 2.993 20 5 GFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccoc1Br ZINC000193546340 552996186 /nfs/dbraw/zinc/99/61/86/552996186.db2.gz ZYSGUTWYTMMASO-UHFFFAOYSA-N -1 3 378.142 2.988 20 5 GFBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000194441563 553021005 /nfs/dbraw/zinc/02/10/05/553021005.db2.gz XIUMOCRUYPHSNP-UHFFFAOYSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000245601479 553093347 /nfs/dbraw/zinc/09/33/47/553093347.db2.gz MMZFHGBMOKPBNE-ILWJIGKKSA-N -1 3 382.360 2.848 20 5 GFBDHM CCC(=O)c1ccc(NCc2ccc(S(=O)(=O)[N-]C)s2)c([N+](=O)[O-])c1 ZINC000280033543 563319900 /nfs/dbraw/zinc/31/99/00/563319900.db2.gz LHKIJQAGXXJYFS-UHFFFAOYSA-N -1 3 383.451 2.769 20 5 GFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000433467937 563613590 /nfs/dbraw/zinc/61/35/90/563613590.db2.gz SANPCRVHBQMWLB-JTQLQIEISA-N -1 3 378.834 2.506 20 5 GFBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000364990909 563770936 /nfs/dbraw/zinc/77/09/36/563770936.db2.gz QQZNPUFPAMTKJX-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443161742 563793973 /nfs/dbraw/zinc/79/39/73/563793973.db2.gz UYKHTMDFPQDFLG-STQMWFEESA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c(Cl)c1 ZINC000443290981 563799431 /nfs/dbraw/zinc/79/94/31/563799431.db2.gz ZXGZOZXMKWCAAN-GFCCVEGCSA-N -1 3 392.767 2.538 20 5 GFBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459541 563832040 /nfs/dbraw/zinc/83/20/40/563832040.db2.gz SDQQFCZYALLFGK-VIFPVBQESA-N -1 3 384.376 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000416563481 563849309 /nfs/dbraw/zinc/84/93/09/563849309.db2.gz RMRNZXDIVXULEF-UBHAPETDSA-N -1 3 375.244 2.824 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000416609068 563853102 /nfs/dbraw/zinc/85/31/02/563853102.db2.gz UBOOHPZETCEXKS-UTLUCORTSA-N -1 3 382.360 2.705 20 5 GFBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416623616 563854123 /nfs/dbraw/zinc/85/41/23/563854123.db2.gz YGROCIXFVQBXAW-VIFPVBQESA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000541248092 564270459 /nfs/dbraw/zinc/27/04/59/564270459.db2.gz ZJLDNSVGBBELSP-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451680751 564339537 /nfs/dbraw/zinc/33/95/37/564339537.db2.gz MSUBZZVFIBRKDA-BXKDBHETSA-N -1 3 395.275 2.697 20 5 GFBDHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580390 564347087 /nfs/dbraw/zinc/34/70/87/564347087.db2.gz UFGKSSBRNPZYOD-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM CC(C)Oc1cc(C(=O)N=c2[n-]n(C)cc2Br)ccc1[N+](=O)[O-] ZINC000514863062 564459916 /nfs/dbraw/zinc/45/99/16/564459916.db2.gz OGMAULITFJJYSP-UHFFFAOYSA-N -1 3 383.202 2.552 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2OC)c([N+](=O)[O-])c1 ZINC000480709035 564483519 /nfs/dbraw/zinc/48/35/19/564483519.db2.gz MPWPNDOEJMBMRB-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM C[C@@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658158 564559502 /nfs/dbraw/zinc/55/95/02/564559502.db2.gz SNNOIUNGPZDPNC-BETUJISGSA-N -1 3 389.905 2.895 20 5 GFBDHM C[C@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658160 564559978 /nfs/dbraw/zinc/55/99/78/564559978.db2.gz SNNOIUNGPZDPNC-STQMWFEESA-N -1 3 389.905 2.895 20 5 GFBDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000551170471 564640292 /nfs/dbraw/zinc/64/02/92/564640292.db2.gz TVZTVCRCGLKIHH-QHCPKHFHSA-N -1 3 388.854 2.928 20 5 GFBDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539289 564724893 /nfs/dbraw/zinc/72/48/93/564724893.db2.gz ZBLZAJKBUPOPAS-ABAIWWIYSA-N -1 3 390.845 2.648 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1OCCc2sccc21 ZINC000490510332 564774880 /nfs/dbraw/zinc/77/48/80/564774880.db2.gz RYRKIDHRVURECV-VFZGTOFNSA-N -1 3 386.426 2.776 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C2CCCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493504896 564808775 /nfs/dbraw/zinc/80/87/75/564808775.db2.gz ULXCYKHRGDHRAH-UHFFFAOYSA-N -1 3 393.259 2.895 20 5 GFBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000462115777 564821176 /nfs/dbraw/zinc/82/11/76/564821176.db2.gz DIJZVXXZZVLDDT-CYBMUJFWSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000500135322 564946090 /nfs/dbraw/zinc/94/60/90/564946090.db2.gz GABIDCSVFIJRAA-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000467062497 564954130 /nfs/dbraw/zinc/95/41/30/564954130.db2.gz ZDGVRAGIPQBJOG-LBPRGKRZSA-N -1 3 390.483 2.755 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047023 564954548 /nfs/dbraw/zinc/95/45/48/564954548.db2.gz AKYINXSNROLUNV-GRYCIOLGSA-N -1 3 375.516 2.609 20 5 GFBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000537017957 565050949 /nfs/dbraw/zinc/05/09/49/565050949.db2.gz ZWPMLTCWUHLROD-CABZTGNLSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588144619 565128985 /nfs/dbraw/zinc/12/89/85/565128985.db2.gz PLMRGIKLJRAHQH-ZDUSSCGKSA-N -1 3 384.841 2.611 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C2CC=CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000617241055 565228019 /nfs/dbraw/zinc/22/80/19/565228019.db2.gz HROLUXNUMYGTLL-UHFFFAOYSA-N -1 3 391.243 2.671 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[n-]1 ZINC000619448149 565340812 /nfs/dbraw/zinc/34/08/12/565340812.db2.gz FFWYFGPTTUFBIC-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c[n-]1 ZINC000619448149 565340813 /nfs/dbraw/zinc/34/08/13/565340813.db2.gz FFWYFGPTTUFBIC-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000619486928 565343787 /nfs/dbraw/zinc/34/37/87/565343787.db2.gz KRIQWSXVFQVZND-CYBMUJFWSA-N -1 3 383.451 2.798 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000619507638 565346115 /nfs/dbraw/zinc/34/61/15/565346115.db2.gz WRTXIRCFBVPKHP-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623282 565629976 /nfs/dbraw/zinc/62/99/76/565629976.db2.gz VPXFKLIAKUYHIO-MRVPVSSYSA-N -1 3 399.213 2.989 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459858 565680884 /nfs/dbraw/zinc/68/08/84/565680884.db2.gz OSFCVMVARBZASZ-YDEXJTGXSA-N -1 3 382.360 2.704 20 5 GFBDHM C/C=C\C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000599475466 565683448 /nfs/dbraw/zinc/68/34/48/565683448.db2.gz PTGPXEFMXNFQBW-PLNGDYQASA-N -1 3 379.232 2.529 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000603975573 565920369 /nfs/dbraw/zinc/92/03/69/565920369.db2.gz BKBLFVRRLYZZNZ-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000613483806 566198568 /nfs/dbraw/zinc/19/85/68/566198568.db2.gz FTOSUCQQVPQEGI-VIFPVBQESA-N -1 3 376.362 2.655 20 5 GFBDHM Cc1ccnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1[N+](=O)[O-] ZINC000737437971 599054671 /nfs/dbraw/zinc/05/46/71/599054671.db2.gz WKYDDSORKYKTBW-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1[N+](=O)[O-] ZINC000737437971 599054674 /nfs/dbraw/zinc/05/46/74/599054674.db2.gz WKYDDSORKYKTBW-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000822242530 599065356 /nfs/dbraw/zinc/06/53/56/599065356.db2.gz ODZSLRLPADYSKN-CYBMUJFWSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000822242530 599065360 /nfs/dbraw/zinc/06/53/60/599065360.db2.gz ODZSLRLPADYSKN-CYBMUJFWSA-N -1 3 380.412 2.559 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1nc(C(F)(F)F)cs1 ZINC000823629915 599106672 /nfs/dbraw/zinc/10/66/72/599106672.db2.gz LSESQCOZMRPJCL-UHFFFAOYSA-N -1 3 385.331 2.905 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nc(C(F)(F)F)cs1 ZINC000823629915 599106673 /nfs/dbraw/zinc/10/66/73/599106673.db2.gz LSESQCOZMRPJCL-UHFFFAOYSA-N -1 3 385.331 2.905 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823629788 599109501 /nfs/dbraw/zinc/10/95/01/599109501.db2.gz HDEJFSZOYKMKQZ-MAUKXSAKSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823629788 599109503 /nfs/dbraw/zinc/10/95/03/599109503.db2.gz HDEJFSZOYKMKQZ-MAUKXSAKSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639854 607331500 /nfs/dbraw/zinc/33/15/00/607331500.db2.gz JFMDEXFKSZAKLC-LLVKDONJSA-N -1 3 376.442 2.632 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639854 607331501 /nfs/dbraw/zinc/33/15/01/607331501.db2.gz JFMDEXFKSZAKLC-LLVKDONJSA-N -1 3 376.442 2.632 20 5 GFBDHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000738085870 598376554 /nfs/dbraw/zinc/37/65/54/598376554.db2.gz OMDWKBZPZJHGLC-UHFFFAOYSA-N -1 3 399.436 2.830 20 5 GFBDHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000738085870 598376556 /nfs/dbraw/zinc/37/65/56/598376556.db2.gz OMDWKBZPZJHGLC-UHFFFAOYSA-N -1 3 399.436 2.830 20 5 GFBDHM COc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737086900 598387746 /nfs/dbraw/zinc/38/77/46/598387746.db2.gz KBVQIHZPWJIJAU-LLVKDONJSA-N -1 3 384.396 2.835 20 5 GFBDHM COc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737086900 598387748 /nfs/dbraw/zinc/38/77/48/598387748.db2.gz KBVQIHZPWJIJAU-LLVKDONJSA-N -1 3 384.396 2.835 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000821122871 607355799 /nfs/dbraw/zinc/35/57/99/607355799.db2.gz ABITVFJIADWWTJ-UHFFFAOYSA-N -1 3 399.415 2.696 20 5 GFBDHM CC(C)OCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735904890 598500239 /nfs/dbraw/zinc/50/02/39/598500239.db2.gz VRFSBUXWFZEWKV-UHFFFAOYSA-N -1 3 399.411 2.855 20 5 GFBDHM CC(C)OCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735904890 598500240 /nfs/dbraw/zinc/50/02/40/598500240.db2.gz VRFSBUXWFZEWKV-UHFFFAOYSA-N -1 3 399.411 2.855 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737372677 598578763 /nfs/dbraw/zinc/57/87/63/598578763.db2.gz HTYNYSHIMRTTAU-MRXNPFEDSA-N -1 3 394.391 2.658 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Br)cc2F)c(-c2nnn[n-]2)c1 ZINC000738373368 598680519 /nfs/dbraw/zinc/68/05/19/598680519.db2.gz BBZVDBDWVIBGEP-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Br)cc2F)c(-c2nn[n-]n2)c1 ZINC000738373368 598680521 /nfs/dbraw/zinc/68/05/21/598680521.db2.gz BBZVDBDWVIBGEP-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737919191 599343503 /nfs/dbraw/zinc/34/35/03/599343503.db2.gz PPKIJMUULONQRP-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000738368430 599393280 /nfs/dbraw/zinc/39/32/80/599393280.db2.gz DJIHBRYZPRSRRJ-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000738368430 599393283 /nfs/dbraw/zinc/39/32/83/599393283.db2.gz DJIHBRYZPRSRRJ-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397198 599516905 /nfs/dbraw/zinc/51/69/05/599516905.db2.gz MTGPWKQRSSINNM-LLVKDONJSA-N -1 3 393.407 2.840 20 5 GFBDHM C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397198 599516906 /nfs/dbraw/zinc/51/69/06/599516906.db2.gz MTGPWKQRSSINNM-LLVKDONJSA-N -1 3 393.407 2.840 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983247 599538290 /nfs/dbraw/zinc/53/82/90/599538290.db2.gz FDCKROZLCAQJCX-SNVBAGLBSA-N -1 3 384.421 2.988 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983247 599538292 /nfs/dbraw/zinc/53/82/92/599538292.db2.gz FDCKROZLCAQJCX-SNVBAGLBSA-N -1 3 384.421 2.988 20 5 GFBDHM Cc1ncsc1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822482299 599547128 /nfs/dbraw/zinc/54/71/28/599547128.db2.gz PAOZEVDOABSTFX-UHFFFAOYSA-N -1 3 382.409 2.724 20 5 GFBDHM Cc1ncsc1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822482299 599547131 /nfs/dbraw/zinc/54/71/31/599547131.db2.gz PAOZEVDOABSTFX-UHFFFAOYSA-N -1 3 382.409 2.724 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000821745384 607409606 /nfs/dbraw/zinc/40/96/06/607409606.db2.gz SVCPEDWLOMPNNR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000821745384 607409608 /nfs/dbraw/zinc/40/96/08/607409608.db2.gz SVCPEDWLOMPNNR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM Cc1cccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1-c1nnn[n-]1 ZINC000826303827 607659534 /nfs/dbraw/zinc/65/95/34/607659534.db2.gz HJASNPBYRFMPBK-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833616198 605019968 /nfs/dbraw/zinc/01/99/68/605019968.db2.gz XHMRUKFUARFBMI-ZDUSSCGKSA-N -1 3 395.481 2.766 20 5 GFBDHM CCOCCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825589241 607729541 /nfs/dbraw/zinc/72/95/41/607729541.db2.gz CJYKGHGVMIEDAA-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM CCOCCC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825589241 607729543 /nfs/dbraw/zinc/72/95/43/607729543.db2.gz CJYKGHGVMIEDAA-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(C(=O)[O-])CC1 ZINC000826911588 605472473 /nfs/dbraw/zinc/47/24/73/605472473.db2.gz BPSOQILMQRJICL-UHFFFAOYSA-N -1 3 379.413 2.816 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823123439 606265490 /nfs/dbraw/zinc/26/54/90/606265490.db2.gz ZUWGZTGNTIEAGP-UHFFFAOYSA-N -1 3 381.327 2.507 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823123439 606265492 /nfs/dbraw/zinc/26/54/92/606265492.db2.gz ZUWGZTGNTIEAGP-UHFFFAOYSA-N -1 3 381.327 2.507 20 5 GFBDHM COc1cccc(C=C2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000821862759 606724684 /nfs/dbraw/zinc/72/46/84/606724684.db2.gz DWSUREXKODLURQ-UHFFFAOYSA-N -1 3 393.407 2.862 20 5 GFBDHM COc1cccc(C=C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000821862759 606724685 /nfs/dbraw/zinc/72/46/85/606724685.db2.gz DWSUREXKODLURQ-UHFFFAOYSA-N -1 3 393.407 2.862 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821679281 606880680 /nfs/dbraw/zinc/88/06/80/606880680.db2.gz ZHJYYVWIMPRAQM-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821679281 606880681 /nfs/dbraw/zinc/88/06/81/606880681.db2.gz ZHJYYVWIMPRAQM-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000821123061 607041159 /nfs/dbraw/zinc/04/11/59/607041159.db2.gz JLABJWXGWLQZPK-UHFFFAOYSA-N -1 3 385.359 2.988 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000820005973 607081933 /nfs/dbraw/zinc/08/19/33/607081933.db2.gz ZYXKNXDVYCRESG-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000820005973 607081935 /nfs/dbraw/zinc/08/19/35/607081935.db2.gz ZYXKNXDVYCRESG-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000823032413 607159075 /nfs/dbraw/zinc/15/90/75/607159075.db2.gz SVNQXAVRSBIRTG-UHFFFAOYSA-N -1 3 380.773 2.507 20 5 GFBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC000823032413 607159077 /nfs/dbraw/zinc/15/90/77/607159077.db2.gz SVNQXAVRSBIRTG-UHFFFAOYSA-N -1 3 380.773 2.507 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821985130 607249663 /nfs/dbraw/zinc/24/96/63/607249663.db2.gz ZZHDFFHYHHKHCM-UHFFFAOYSA-N -1 3 375.341 2.855 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821985130 607249664 /nfs/dbraw/zinc/24/96/64/607249664.db2.gz ZZHDFFHYHHKHCM-UHFFFAOYSA-N -1 3 375.341 2.855 20 5 GFBDHM CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380843 607800243 /nfs/dbraw/zinc/80/02/43/607800243.db2.gz VNHUMNMIFKDKEY-UHFFFAOYSA-N -1 3 397.351 2.658 20 5 GFBDHM CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380843 607800244 /nfs/dbraw/zinc/80/02/44/607800244.db2.gz VNHUMNMIFKDKEY-UHFFFAOYSA-N -1 3 397.351 2.658 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826291937 607863484 /nfs/dbraw/zinc/86/34/84/607863484.db2.gz BRXCQSSWMXJXJG-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826291937 607863485 /nfs/dbraw/zinc/86/34/85/607863485.db2.gz BRXCQSSWMXJXJG-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2nccnc2c1 ZINC000826451060 608162497 /nfs/dbraw/zinc/16/24/97/608162497.db2.gz NXQUOVAWQMGWPV-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2nccnc2c1 ZINC000826451060 608162500 /nfs/dbraw/zinc/16/25/00/608162500.db2.gz NXQUOVAWQMGWPV-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189970 608239596 /nfs/dbraw/zinc/23/95/96/608239596.db2.gz LDDHYCAQWBFSGM-APPDUMDISA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189970 608239599 /nfs/dbraw/zinc/23/95/99/608239599.db2.gz LDDHYCAQWBFSGM-APPDUMDISA-N -1 3 384.396 2.972 20 5 GFBDHM O=C(C=C1CCSCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826399684 608266826 /nfs/dbraw/zinc/26/68/26/608266826.db2.gz CGTVTEFSWGGLRG-UHFFFAOYSA-N -1 3 380.817 2.820 20 5 GFBDHM O=C(C=C1CCSCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826399684 608266827 /nfs/dbraw/zinc/26/68/27/608266827.db2.gz CGTVTEFSWGGLRG-UHFFFAOYSA-N -1 3 380.817 2.820 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826170704 608319273 /nfs/dbraw/zinc/31/92/73/608319273.db2.gz LYJOEVFXHKVELL-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826170704 608319275 /nfs/dbraw/zinc/31/92/75/608319275.db2.gz LYJOEVFXHKVELL-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826498156 608411056 /nfs/dbraw/zinc/41/10/56/608411056.db2.gz JGFIXNSNRKBIFQ-UHFFFAOYSA-N -1 3 397.786 2.826 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826498156 608411057 /nfs/dbraw/zinc/41/10/57/608411057.db2.gz JGFIXNSNRKBIFQ-UHFFFAOYSA-N -1 3 397.786 2.826 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826466490 608455712 /nfs/dbraw/zinc/45/57/12/608455712.db2.gz FTUICMIMFSUKMU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826466490 608455713 /nfs/dbraw/zinc/45/57/13/608455713.db2.gz FTUICMIMFSUKMU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=[N+]([O-])c1cc2cnn(CCOc3cccc(-c4nnn[n-]4)c3)c2c(Cl)c1 ZINC000826497844 608469548 /nfs/dbraw/zinc/46/95/48/608469548.db2.gz WJJCFHBHUVAGQU-UHFFFAOYSA-N -1 3 385.771 2.857 20 5 GFBDHM O=[N+]([O-])c1cc2cnn(CCOc3cccc(-c4nn[n-]n4)c3)c2c(Cl)c1 ZINC000826497844 608469549 /nfs/dbraw/zinc/46/95/49/608469549.db2.gz WJJCFHBHUVAGQU-UHFFFAOYSA-N -1 3 385.771 2.857 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826272654 608569133 /nfs/dbraw/zinc/56/91/33/608569133.db2.gz VAEOHLCGCVJZIG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826272654 608569134 /nfs/dbraw/zinc/56/91/34/608569134.db2.gz VAEOHLCGCVJZIG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826440725 608809511 /nfs/dbraw/zinc/80/95/11/608809511.db2.gz YJGAFJASUDOQIE-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826440725 608809512 /nfs/dbraw/zinc/80/95/12/608809512.db2.gz YJGAFJASUDOQIE-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826497436 609167170 /nfs/dbraw/zinc/16/71/70/609167170.db2.gz HITBTSDGVSUFKZ-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826497436 609167171 /nfs/dbraw/zinc/16/71/71/609167171.db2.gz HITBTSDGVSUFKZ-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1sccc1-c1nnn[n-]1 ZINC000826455505 609239533 /nfs/dbraw/zinc/23/95/33/609239533.db2.gz QYEBWSAQYGNZBU-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1sccc1-c1nn[n-]n1 ZINC000826455505 609239535 /nfs/dbraw/zinc/23/95/35/609239535.db2.gz QYEBWSAQYGNZBU-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1C1CC1 ZINC000826450841 609510983 /nfs/dbraw/zinc/51/09/83/609510983.db2.gz FYYAUIIBEDYMQV-UHFFFAOYSA-N -1 3 385.771 2.953 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1C1CC1 ZINC000826450841 609510985 /nfs/dbraw/zinc/51/09/85/609510985.db2.gz FYYAUIIBEDYMQV-UHFFFAOYSA-N -1 3 385.771 2.953 20 5 GFBDHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252574 609598051 /nfs/dbraw/zinc/59/80/51/609598051.db2.gz JIGJXPYYRQFUTD-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252574 609598052 /nfs/dbraw/zinc/59/80/52/609598052.db2.gz JIGJXPYYRQFUTD-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM CC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184554 609598167 /nfs/dbraw/zinc/59/81/67/609598167.db2.gz WASOJZGPSKEQOU-PSASIEDQSA-N -1 3 380.792 2.572 20 5 GFBDHM CC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184554 609598169 /nfs/dbraw/zinc/59/81/69/609598169.db2.gz WASOJZGPSKEQOU-PSASIEDQSA-N -1 3 380.792 2.572 20 5 GFBDHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832756722 660798511 /nfs/dbraw/zinc/79/85/11/660798511.db2.gz SMVMQXWHDRUHTJ-UHFFFAOYSA-N -1 3 379.841 2.540 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000127919784 654837381 /nfs/dbraw/zinc/83/73/81/654837381.db2.gz WMHIFOFUWZASDY-RISCZKNCSA-N -1 3 376.862 2.858 20 5 GFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H](C)O1 ZINC000162943118 655134033 /nfs/dbraw/zinc/13/40/33/655134033.db2.gz GCDKHDAXIDFXRF-RKDXNWHRSA-N -1 3 393.259 2.592 20 5 GFBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000753376525 655853286 /nfs/dbraw/zinc/85/32/86/655853286.db2.gz HZBXYFMCGTYRNO-GFCCVEGCSA-N -1 3 378.834 2.504 20 5 GFBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829801 658855812 /nfs/dbraw/zinc/85/58/12/658855812.db2.gz PKKVSFPCYSFNLH-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM CCC[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000796114766 658893340 /nfs/dbraw/zinc/89/33/40/658893340.db2.gz UCAXPQHUWAQIKW-CYBMUJFWSA-N -1 3 393.259 2.595 20 5 GFBDHM CCC[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000796114767 658893482 /nfs/dbraw/zinc/89/34/82/658893482.db2.gz UCAXPQHUWAQIKW-ZDUSSCGKSA-N -1 3 393.259 2.595 20 5 GFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000800930173 659351820 /nfs/dbraw/zinc/35/18/20/659351820.db2.gz GBOVLEUPWLHZLK-UHFFFAOYSA-N -1 3 376.799 2.897 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000809808386 659940171 /nfs/dbraw/zinc/94/01/71/659940171.db2.gz QZNUFCQXMXBGBM-QWRGUYRKSA-N -1 3 393.868 2.929 20 5 GFBDHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823236 659943778 /nfs/dbraw/zinc/94/37/78/659943778.db2.gz JDWGZGFHRYPSCZ-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825599 659944408 /nfs/dbraw/zinc/94/44/08/659944408.db2.gz JNRBSPGZICIXQJ-PELKAZGASA-N -1 3 394.280 2.663 20 5 GFBDHM Cc1oc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1S(=O)(=O)N(C)C ZINC000813244665 660049737 /nfs/dbraw/zinc/04/97/37/660049737.db2.gz LUUZWBKWHDXTPT-UHFFFAOYSA-N -1 3 387.801 2.652 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCN1CCCCC1 ZINC000814980601 660099813 /nfs/dbraw/zinc/09/98/13/660099813.db2.gz QJEXSNFMVYHLOF-UHFFFAOYSA-N -1 3 379.841 2.542 20 5 GFBDHM CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023277 660103118 /nfs/dbraw/zinc/10/31/18/660103118.db2.gz PKSIAJIRJUOBRN-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848508117 661658511 /nfs/dbraw/zinc/65/85/11/661658511.db2.gz HTQZZODFDTWYBR-OLZOCXBDSA-N -1 3 391.852 2.683 20 5 GFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000849450683 661727685 /nfs/dbraw/zinc/72/76/85/661727685.db2.gz AFAKWEDPAFFFEB-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(F)F ZINC000851819844 661834554 /nfs/dbraw/zinc/83/45/54/661834554.db2.gz JRRHXKDNHICZSF-SNVBAGLBSA-N -1 3 399.213 2.927 20 5 GFBDHM CC1([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000872667685 662784403 /nfs/dbraw/zinc/78/44/03/662784403.db2.gz LMYGUBTURYUBJV-UHFFFAOYSA-N -1 3 385.186 2.823 20 5 GFBDHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007109261 204233258 /nfs/dbraw/zinc/23/32/58/204233258.db2.gz GAGGIZKFCCBEDH-UHFFFAOYSA-N -1 3 390.465 2.538 20 5 GFBDHM Cc1ccn(-c2ccccc2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000134447340 551385916 /nfs/dbraw/zinc/38/59/16/551385916.db2.gz SYIJWOUXKSAGLF-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163213638 551617718 /nfs/dbraw/zinc/61/77/18/551617718.db2.gz GPPKRPRJNUXFOT-GXSJLCMTSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000174032321 552097374 /nfs/dbraw/zinc/09/73/74/552097374.db2.gz LWTSBBVCIYQFKI-UHFFFAOYSA-N -1 3 399.347 2.730 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000178883411 552178045 /nfs/dbraw/zinc/17/80/45/552178045.db2.gz MKDZHYPYGXULJS-ZDUSSCGKSA-N -1 3 384.841 2.693 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)sc1C ZINC000185806747 552371374 /nfs/dbraw/zinc/37/13/74/552371374.db2.gz HPBHXCDAVAVMFY-UHFFFAOYSA-N -1 3 378.435 2.695 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000187754755 552423256 /nfs/dbraw/zinc/42/32/56/552423256.db2.gz UKDSCQUCOFZNOL-QMMMGPOBSA-N -1 3 389.430 2.589 20 5 GFBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000188337932 552442782 /nfs/dbraw/zinc/44/27/82/552442782.db2.gz NEOJMULMYGUKRQ-SSDOTTSWSA-N -1 3 379.594 2.709 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000250083869 553147546 /nfs/dbraw/zinc/14/75/46/553147546.db2.gz CTJSFABXMGITEP-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000330532933 563509715 /nfs/dbraw/zinc/50/97/15/563509715.db2.gz NPRZXSJYCBRLTC-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539351 563216388 /nfs/dbraw/zinc/21/63/88/563216388.db2.gz IAPKAXXKRVGUHP-MLGOLLRUSA-N -1 3 381.479 2.628 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000326792313 563455846 /nfs/dbraw/zinc/45/58/46/563455846.db2.gz AFCIZYALCXETMN-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000427785065 563475669 /nfs/dbraw/zinc/47/56/69/563475669.db2.gz VTRNGRIPMVUAJF-UHFFFAOYSA-N -1 3 380.813 2.576 20 5 GFBDHM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431541000 563562593 /nfs/dbraw/zinc/56/25/93/563562593.db2.gz DVHVHXRMPVCXKA-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000433467938 563613853 /nfs/dbraw/zinc/61/38/53/563613853.db2.gz SANPCRVHBQMWLB-SNVBAGLBSA-N -1 3 378.834 2.506 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000443726458 563810191 /nfs/dbraw/zinc/81/01/91/563810191.db2.gz XDYVSPKEEVTIJH-UHFFFAOYSA-N -1 3 375.244 2.826 20 5 GFBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490018 563837881 /nfs/dbraw/zinc/83/78/81/563837881.db2.gz TWZUXYUJQDWHHU-NXEZZACHSA-N -1 3 382.360 2.565 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000445706781 563852523 /nfs/dbraw/zinc/85/25/23/563852523.db2.gz HOZMCGUWEFCWCE-JTQLQIEISA-N -1 3 388.339 2.998 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(Br)c1 ZINC000447014608 563872500 /nfs/dbraw/zinc/87/25/00/563872500.db2.gz CYKBGUHLOMKICP-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)CCc1ccccc1 ZINC000541386767 564276726 /nfs/dbraw/zinc/27/67/26/564276726.db2.gz SALYDSGTTASTFG-CQSZACIVSA-N -1 3 384.841 2.520 20 5 GFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000476956402 564360252 /nfs/dbraw/zinc/36/02/52/564360252.db2.gz FTZYKHSXJFGXFA-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc([N+](=O)[O-])c1 ZINC000511323397 564367279 /nfs/dbraw/zinc/36/72/79/564367279.db2.gz UFLCAFIWXHHMRI-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCSC2)c1 ZINC000484775782 564597667 /nfs/dbraw/zinc/59/76/67/564597667.db2.gz KDODQDDCBAFGTE-VIFPVBQESA-N -1 3 381.273 2.531 20 5 GFBDHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171577 564620670 /nfs/dbraw/zinc/62/06/70/564620670.db2.gz QVPMHUGCJAYDHT-LBPRGKRZSA-N -1 3 375.516 2.835 20 5 GFBDHM CCc1ncc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000460898765 564783541 /nfs/dbraw/zinc/78/35/41/564783541.db2.gz KRDDJAFNNYISJJ-UHFFFAOYSA-N -1 3 375.859 2.788 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000491145346 564787367 /nfs/dbraw/zinc/78/73/67/564787367.db2.gz UATIGGVVQJTIKH-UHFFFAOYSA-N -1 3 386.426 2.813 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)nc2c1 ZINC000556377775 564822705 /nfs/dbraw/zinc/82/27/05/564822705.db2.gz UNBWVLYEOKHVNZ-UHFFFAOYSA-N -1 3 384.776 2.742 20 5 GFBDHM CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462427739 564839019 /nfs/dbraw/zinc/83/90/19/564839019.db2.gz AQYSWDPQBHXABK-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM O=[N+]([O-])c1cccnc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557696324 564873551 /nfs/dbraw/zinc/87/35/51/564873551.db2.gz AYLBVZJEQXUPQC-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464375096 564904829 /nfs/dbraw/zinc/90/48/29/564904829.db2.gz IMWNIKQRXYXDOC-LURJTMIESA-N -1 3 391.165 2.977 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000467043398 564954180 /nfs/dbraw/zinc/95/41/80/564954180.db2.gz FOCYFLXGYISYSE-GFCCVEGCSA-N -1 3 384.483 2.578 20 5 GFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000561540019 565000532 /nfs/dbraw/zinc/00/05/32/565000532.db2.gz ZOGZIVCZWPMIQD-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000537182235 565054647 /nfs/dbraw/zinc/05/46/47/565054647.db2.gz DPHCVCXCGXMYLS-NSHDSACASA-N -1 3 376.862 2.715 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c2ncccc12 ZINC000588145372 565128889 /nfs/dbraw/zinc/12/88/89/565128889.db2.gz WXMTUDUQYQQNSE-UHFFFAOYSA-N -1 3 375.328 2.762 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21 ZINC000589295586 565160449 /nfs/dbraw/zinc/16/04/49/565160449.db2.gz TVSJITVZCRMOQJ-MRXNPFEDSA-N -1 3 382.463 2.731 20 5 GFBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547516 565340594 /nfs/dbraw/zinc/34/05/94/565340594.db2.gz RZQHOYGOVOVQKN-BONVTDFDSA-N -1 3 385.829 2.698 20 5 GFBDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619482775 565343435 /nfs/dbraw/zinc/34/34/35/565343435.db2.gz YPOWAXXCGSDPOW-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594852173 565429483 /nfs/dbraw/zinc/42/94/83/565429483.db2.gz NXQRJZLSIAURAY-LLVKDONJSA-N -1 3 399.213 2.989 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000599364565 565672519 /nfs/dbraw/zinc/67/25/19/565672519.db2.gz LXXWMBVESUOCGX-JTQLQIEISA-N -1 3 382.360 2.709 20 5 GFBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cn1 ZINC000599528117 565686669 /nfs/dbraw/zinc/68/66/69/565686669.db2.gz ZMKYXVMZKFMSAT-OAHLLOKOSA-N -1 3 383.451 2.798 20 5 GFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609899328 566058362 /nfs/dbraw/zinc/05/83/62/566058362.db2.gz UKOIEWJONWSQDD-NSHDSACASA-N -1 3 395.275 2.841 20 5 GFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000611033693 566112168 /nfs/dbraw/zinc/11/21/68/566112168.db2.gz NEKOPYMXFMPESG-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000738206823 598830346 /nfs/dbraw/zinc/83/03/46/598830346.db2.gz HLINLJFTHQUYAB-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000738206823 598830349 /nfs/dbraw/zinc/83/03/49/598830349.db2.gz HLINLJFTHQUYAB-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737238615 598882042 /nfs/dbraw/zinc/88/20/42/598882042.db2.gz QFWVJVWHQFUOKL-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737238615 598882044 /nfs/dbraw/zinc/88/20/44/598882044.db2.gz QFWVJVWHQFUOKL-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184917 598892181 /nfs/dbraw/zinc/89/21/81/598892181.db2.gz PDITUOXZGMIQDS-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184917 598892183 /nfs/dbraw/zinc/89/21/83/598892183.db2.gz PDITUOXZGMIQDS-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823445473 607256076 /nfs/dbraw/zinc/25/60/76/607256076.db2.gz XIPGYMYVAXUKGA-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823445473 607256077 /nfs/dbraw/zinc/25/60/77/607256077.db2.gz XIPGYMYVAXUKGA-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM CC(C)NC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000820138250 599069574 /nfs/dbraw/zinc/06/95/74/599069574.db2.gz SKGUUAKZCSEWNT-UHFFFAOYSA-N -1 3 399.386 2.664 20 5 GFBDHM CC(C)NC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000820138250 599069576 /nfs/dbraw/zinc/06/95/76/599069576.db2.gz SKGUUAKZCSEWNT-UHFFFAOYSA-N -1 3 399.386 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738369620 599160398 /nfs/dbraw/zinc/16/03/98/599160398.db2.gz KLDOEQRGRVYOOH-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738369620 599160401 /nfs/dbraw/zinc/16/04/01/599160401.db2.gz KLDOEQRGRVYOOH-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccc(F)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366587 599273869 /nfs/dbraw/zinc/27/38/69/599273869.db2.gz FLMHQHWUDUZTSB-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccc(F)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366587 599273871 /nfs/dbraw/zinc/27/38/71/599273871.db2.gz FLMHQHWUDUZTSB-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000736489435 599278182 /nfs/dbraw/zinc/27/81/82/599278182.db2.gz ZSWSRECLGDHLSK-UHFFFAOYSA-N -1 3 397.395 2.858 20 5 GFBDHM O=[N+]([O-])c1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000738361106 598321361 /nfs/dbraw/zinc/32/13/61/598321361.db2.gz USNJKOILGGCPFC-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM O=[N+]([O-])c1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738361106 598321362 /nfs/dbraw/zinc/32/13/62/598321362.db2.gz USNJKOILGGCPFC-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231379 598432343 /nfs/dbraw/zinc/43/23/43/598432343.db2.gz LZBOCGUFEKELKT-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231379 598432345 /nfs/dbraw/zinc/43/23/45/598432345.db2.gz LZBOCGUFEKELKT-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000738360308 598459235 /nfs/dbraw/zinc/45/92/35/598459235.db2.gz VLTGDCFLYYPUGI-AWEZNQCLSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000738360308 598459236 /nfs/dbraw/zinc/45/92/36/598459236.db2.gz VLTGDCFLYYPUGI-AWEZNQCLSA-N -1 3 394.391 2.888 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736188146 598498016 /nfs/dbraw/zinc/49/80/16/598498016.db2.gz MITWRHXKHJJVOP-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736188146 598498017 /nfs/dbraw/zinc/49/80/17/598498017.db2.gz MITWRHXKHJJVOP-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2sccc2-c2nnn[n-]2)cc1SC ZINC000737050877 598647491 /nfs/dbraw/zinc/64/74/91/598647491.db2.gz GUNJKPQEKVYGOP-UHFFFAOYSA-N -1 3 392.422 2.819 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2sccc2-c2nn[n-]n2)cc1SC ZINC000737050877 598647492 /nfs/dbraw/zinc/64/74/92/598647492.db2.gz GUNJKPQEKVYGOP-UHFFFAOYSA-N -1 3 392.422 2.819 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000737833514 598657038 /nfs/dbraw/zinc/65/70/38/598657038.db2.gz VCALQVOTPQLIHN-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000737833514 598657039 /nfs/dbraw/zinc/65/70/39/598657039.db2.gz VCALQVOTPQLIHN-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738151328 598659486 /nfs/dbraw/zinc/65/94/86/598659486.db2.gz RKFQJQAHRBCPPP-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738151328 598659487 /nfs/dbraw/zinc/65/94/87/598659487.db2.gz RKFQJQAHRBCPPP-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184837 598735707 /nfs/dbraw/zinc/73/57/07/598735707.db2.gz OBGRBAYBFLQYFS-VXGBXAGGSA-N -1 3 394.391 2.520 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184837 598735708 /nfs/dbraw/zinc/73/57/08/598735708.db2.gz OBGRBAYBFLQYFS-VXGBXAGGSA-N -1 3 394.391 2.520 20 5 GFBDHM Cc1ncc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467366 599483767 /nfs/dbraw/zinc/48/37/67/599483767.db2.gz LWCVWGGDXRJJCB-UHFFFAOYSA-N -1 3 382.409 2.724 20 5 GFBDHM Cc1ncc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467366 599483768 /nfs/dbraw/zinc/48/37/68/599483768.db2.gz LWCVWGGDXRJJCB-UHFFFAOYSA-N -1 3 382.409 2.724 20 5 GFBDHM C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390526 599501752 /nfs/dbraw/zinc/50/17/52/599501752.db2.gz IBQQOMJKEGSHJF-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390526 599501754 /nfs/dbraw/zinc/50/17/54/599501754.db2.gz IBQQOMJKEGSHJF-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H]1COCCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736291862 599535523 /nfs/dbraw/zinc/53/55/23/599535523.db2.gz DDJNYODFWHTJQK-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@H]1COCCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736291862 599535525 /nfs/dbraw/zinc/53/55/25/599535525.db2.gz DDJNYODFWHTJQK-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643812 599562935 /nfs/dbraw/zinc/56/29/35/599562935.db2.gz BUDBQJBJVABPKX-UHFFFAOYSA-N -1 3 383.412 2.820 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(O)CCCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643812 599562938 /nfs/dbraw/zinc/56/29/38/599562938.db2.gz BUDBQJBJVABPKX-UHFFFAOYSA-N -1 3 383.412 2.820 20 5 GFBDHM CC(C)n1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000820214573 599565850 /nfs/dbraw/zinc/56/58/50/599565850.db2.gz JLJMIONYLGOFKN-UHFFFAOYSA-N -1 3 379.384 2.713 20 5 GFBDHM CC(C)n1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000820214573 599565851 /nfs/dbraw/zinc/56/58/51/599565851.db2.gz JLJMIONYLGOFKN-UHFFFAOYSA-N -1 3 379.384 2.713 20 5 GFBDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820562981 606143684 /nfs/dbraw/zinc/14/36/84/606143684.db2.gz KVUWGIPMXYSZEW-LUGWNYHVSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820562981 606143685 /nfs/dbraw/zinc/14/36/85/606143685.db2.gz KVUWGIPMXYSZEW-LUGWNYHVSA-N -1 3 386.437 2.710 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823445514 606183862 /nfs/dbraw/zinc/18/38/62/606183862.db2.gz ZFAHMUCJGQTSLI-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823445514 606183863 /nfs/dbraw/zinc/18/38/63/606183863.db2.gz ZFAHMUCJGQTSLI-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021207 606347283 /nfs/dbraw/zinc/34/72/83/606347283.db2.gz WZOSUZGSNCBJTO-JTQLQIEISA-N -1 3 398.335 2.910 20 5 GFBDHM Cc1c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021207 606347286 /nfs/dbraw/zinc/34/72/86/606347286.db2.gz WZOSUZGSNCBJTO-JTQLQIEISA-N -1 3 398.335 2.910 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])cc1Br ZINC000821609883 606430524 /nfs/dbraw/zinc/43/05/24/606430524.db2.gz PVIQLCQBFMDFPD-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])cc1Br ZINC000821609883 606430526 /nfs/dbraw/zinc/43/05/26/606430526.db2.gz PVIQLCQBFMDFPD-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920164 606600208 /nfs/dbraw/zinc/60/02/08/606600208.db2.gz MGCFHEXULMEUKR-INIZCTEOSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920164 606600209 /nfs/dbraw/zinc/60/02/09/606600209.db2.gz MGCFHEXULMEUKR-INIZCTEOSA-N -1 3 381.396 2.725 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC([C@H](O)c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823635313 606645118 /nfs/dbraw/zinc/64/51/18/606645118.db2.gz VQXPNPVBAZFDLX-GOSISDBHSA-N -1 3 380.408 2.725 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000822128406 606712716 /nfs/dbraw/zinc/71/27/16/606712716.db2.gz BUZDKGKEENTFIX-UHFFFAOYSA-N -1 3 394.800 2.538 20 5 GFBDHM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821639053 606757062 /nfs/dbraw/zinc/75/70/62/606757062.db2.gz OEYDXBGVPRZTEA-CYBMUJFWSA-N -1 3 396.407 2.591 20 5 GFBDHM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821639053 606757064 /nfs/dbraw/zinc/75/70/64/606757064.db2.gz OEYDXBGVPRZTEA-CYBMUJFWSA-N -1 3 396.407 2.591 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000823650884 606801444 /nfs/dbraw/zinc/80/14/44/606801444.db2.gz CQWWDHGPNVFANL-UHFFFAOYSA-N -1 3 395.301 2.723 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccccc2OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000823650884 606801446 /nfs/dbraw/zinc/80/14/46/606801446.db2.gz CQWWDHGPNVFANL-UHFFFAOYSA-N -1 3 395.301 2.723 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822978402 606813325 /nfs/dbraw/zinc/81/33/25/606813325.db2.gz JQINZHACFKEIJG-UHFFFAOYSA-N -1 3 386.799 2.677 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822978402 606813327 /nfs/dbraw/zinc/81/33/27/606813327.db2.gz JQINZHACFKEIJG-UHFFFAOYSA-N -1 3 386.799 2.677 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000820556169 606972280 /nfs/dbraw/zinc/97/22/80/606972280.db2.gz SGEMUGWZCQGEJV-LLVKDONJSA-N -1 3 384.421 2.919 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000820556169 606972281 /nfs/dbraw/zinc/97/22/81/606972281.db2.gz SGEMUGWZCQGEJV-LLVKDONJSA-N -1 3 384.421 2.919 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823413990 607081324 /nfs/dbraw/zinc/08/13/24/607081324.db2.gz PRMKAQYUFBERAZ-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823413990 607081325 /nfs/dbraw/zinc/08/13/25/607081325.db2.gz PRMKAQYUFBERAZ-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000823648349 607175834 /nfs/dbraw/zinc/17/58/34/607175834.db2.gz VKVQDEJEUROHHT-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000823648349 607175835 /nfs/dbraw/zinc/17/58/35/607175835.db2.gz VKVQDEJEUROHHT-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826499251 607876780 /nfs/dbraw/zinc/87/67/80/607876780.db2.gz BDPLLRQGVGUSHF-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826499251 607876781 /nfs/dbraw/zinc/87/67/81/607876781.db2.gz BDPLLRQGVGUSHF-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498650 607969139 /nfs/dbraw/zinc/96/91/39/607969139.db2.gz DLJJEJPXSKRTRA-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498650 607969140 /nfs/dbraw/zinc/96/91/40/607969140.db2.gz DLJJEJPXSKRTRA-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824770441 608069505 /nfs/dbraw/zinc/06/95/05/608069505.db2.gz KMSOZZCDCCGXMA-FZKQIMNGSA-N -1 3 380.408 2.909 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770441 608069506 /nfs/dbraw/zinc/06/95/06/608069506.db2.gz KMSOZZCDCCGXMA-FZKQIMNGSA-N -1 3 380.408 2.909 20 5 GFBDHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824936325 608164890 /nfs/dbraw/zinc/16/48/90/608164890.db2.gz GESMMISCKYISSJ-TVQRCGJNSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824936325 608164891 /nfs/dbraw/zinc/16/48/91/608164891.db2.gz GESMMISCKYISSJ-TVQRCGJNSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824715361 608273848 /nfs/dbraw/zinc/27/38/48/608273848.db2.gz RSXDGBBSVYMRFR-LBPRGKRZSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824715361 608273850 /nfs/dbraw/zinc/27/38/50/608273850.db2.gz RSXDGBBSVYMRFR-LBPRGKRZSA-N -1 3 382.380 2.516 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000826172658 608346392 /nfs/dbraw/zinc/34/63/92/608346392.db2.gz QTPIBVZROMNOBR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000826172658 608346393 /nfs/dbraw/zinc/34/63/93/608346393.db2.gz QTPIBVZROMNOBR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826172759 608362202 /nfs/dbraw/zinc/36/22/02/608362202.db2.gz WAOGCUACVVRDBT-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826172759 608362203 /nfs/dbraw/zinc/36/22/03/608362203.db2.gz WAOGCUACVVRDBT-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc2ccccn21 ZINC000826497661 608442390 /nfs/dbraw/zinc/44/23/90/608442390.db2.gz OYLWEJQWEPXEMD-UHFFFAOYSA-N -1 3 388.391 2.716 20 5 GFBDHM O=[N+]([O-])c1c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccn21 ZINC000826497661 608442392 /nfs/dbraw/zinc/44/23/92/608442392.db2.gz OYLWEJQWEPXEMD-UHFFFAOYSA-N -1 3 388.391 2.716 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826248506 609329411 /nfs/dbraw/zinc/32/94/11/609329411.db2.gz LZGOWJQHUXTMKK-UHFFFAOYSA-N -1 3 386.799 2.709 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826248506 609329412 /nfs/dbraw/zinc/32/94/12/609329412.db2.gz LZGOWJQHUXTMKK-UHFFFAOYSA-N -1 3 386.799 2.709 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826454300 609395710 /nfs/dbraw/zinc/39/57/10/609395710.db2.gz RFVWQBVOIRKHQI-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826454300 609395712 /nfs/dbraw/zinc/39/57/12/609395712.db2.gz RFVWQBVOIRKHQI-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260199 609512666 /nfs/dbraw/zinc/51/26/66/609512666.db2.gz AMNZHUAIFYYFAX-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260199 609512668 /nfs/dbraw/zinc/51/26/68/609512668.db2.gz AMNZHUAIFYYFAX-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477543 609577632 /nfs/dbraw/zinc/57/76/32/609577632.db2.gz GGXQCRVKHQHLMH-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477543 609577634 /nfs/dbraw/zinc/57/76/34/609577634.db2.gz GGXQCRVKHQHLMH-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)o1 ZINC000103202236 655069181 /nfs/dbraw/zinc/06/91/81/655069181.db2.gz VERZOBDZCAITSE-UHFFFAOYSA-N -1 3 378.142 2.988 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153921814 655071702 /nfs/dbraw/zinc/07/17/02/655071702.db2.gz VISUEXYORVWUNN-HNNXBMFYSA-N -1 3 388.804 2.573 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000113943681 655216101 /nfs/dbraw/zinc/21/61/01/655216101.db2.gz NEMKKDLTXJWIPV-OAHLLOKOSA-N -1 3 383.857 2.829 20 5 GFBDHM CCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1=O ZINC000753065634 655849833 /nfs/dbraw/zinc/84/98/33/655849833.db2.gz IXYPMPHQHLPXRF-UHFFFAOYSA-N -1 3 385.829 2.929 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000775541519 656648579 /nfs/dbraw/zinc/64/85/79/656648579.db2.gz CDSVQDVYJDMDMD-UHFFFAOYSA-N -1 3 379.682 2.784 20 5 GFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841533199 661292774 /nfs/dbraw/zinc/29/27/74/661292774.db2.gz HRHMMAZSIBFCMP-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM CCC[C@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000779873790 656952090 /nfs/dbraw/zinc/95/20/90/656952090.db2.gz TWWPHPGDKCFGEO-AWEZNQCLSA-N -1 3 378.834 2.567 20 5 GFBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227360 659086257 /nfs/dbraw/zinc/08/62/57/659086257.db2.gz OPARASIMMGOREA-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM CCC(CC)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000813762803 660063624 /nfs/dbraw/zinc/06/36/24/660063624.db2.gz SMBOCWIZWWRILG-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034802 660105199 /nfs/dbraw/zinc/10/51/99/660105199.db2.gz CEAICPGLJNFALJ-GHMZBOCLSA-N -1 3 393.868 2.786 20 5 GFBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000817147451 660183684 /nfs/dbraw/zinc/18/36/84/660183684.db2.gz ZTTLXLVKRJCXCL-GXSJLCMTSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127263769 551338624 /nfs/dbraw/zinc/33/86/24/551338624.db2.gz YXDIVPSKNBKFSS-UHFFFAOYSA-N -1 3 387.211 2.541 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-n2cccn2)cc1 ZINC000173229977 552080118 /nfs/dbraw/zinc/08/01/18/552080118.db2.gz NFGDTJZRPGHPOA-LLVKDONJSA-N -1 3 378.435 2.882 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000173490582 552086525 /nfs/dbraw/zinc/08/65/25/552086525.db2.gz JIMNLKAJGKIUJL-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c(Cl)c1 ZINC000178883423 552178081 /nfs/dbraw/zinc/17/80/81/552178081.db2.gz MKDZHYPYGXULJS-CYBMUJFWSA-N -1 3 384.841 2.693 20 5 GFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cs1 ZINC000186980678 552403353 /nfs/dbraw/zinc/40/33/53/552403353.db2.gz NMMXXKBVQMJBML-QMMMGPOBSA-N -1 3 389.430 2.801 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000249068162 553138193 /nfs/dbraw/zinc/13/81/93/553138193.db2.gz KKSFGEOQTCXNEJ-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725023 563279798 /nfs/dbraw/zinc/27/97/98/563279798.db2.gz LLYBNDSQEXOZIO-JQWIXIFHSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1[N-]c1ccn(CC(F)F)n1 ZINC000301571511 563407417 /nfs/dbraw/zinc/40/74/17/563407417.db2.gz XDODLAXTSAQTRK-UHFFFAOYSA-N -1 3 382.295 2.796 20 5 GFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]CC(=O)Nc2ccc(Cl)cc2)s1 ZINC000302151751 563422238 /nfs/dbraw/zinc/42/22/38/563422238.db2.gz HWJUVOZNRNVKAK-UHFFFAOYSA-N -1 3 389.842 2.764 20 5 GFBDHM CC(=O)N1CCc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000302191326 563422582 /nfs/dbraw/zinc/42/25/82/563422582.db2.gz QZXVFVKWECKVAU-UHFFFAOYSA-N -1 3 381.435 2.712 20 5 GFBDHM O=C([N-]c1nncn1-c1cccnc1)c1ccc([N+](=O)[O-])cc1Br ZINC000377193146 563466024 /nfs/dbraw/zinc/46/60/24/563466024.db2.gz PJIAHJWFHDCDJZ-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000433465949 563613677 /nfs/dbraw/zinc/61/36/77/563613677.db2.gz JYQSZYJZQQGYEY-SNVBAGLBSA-N -1 3 378.834 2.506 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000291864989 563762092 /nfs/dbraw/zinc/76/20/92/563762092.db2.gz FLKCVZGMIQFXFQ-BZNIZROVSA-N -1 3 382.463 2.778 20 5 GFBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443345895 563801542 /nfs/dbraw/zinc/80/15/42/563801542.db2.gz SVIQZZXCEVOLDV-NXEZZACHSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000416456120 563831339 /nfs/dbraw/zinc/83/13/39/563831339.db2.gz LRYXIHHDQFMJNG-BXKDBHETSA-N -1 3 382.360 2.850 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1nc2c(s1)CCC2 ZINC000416540809 563845699 /nfs/dbraw/zinc/84/56/99/563845699.db2.gz VJWNPCCLNXHRRI-SECBINFHSA-N -1 3 383.451 2.588 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000446952610 563870943 /nfs/dbraw/zinc/87/09/43/563870943.db2.gz RBFVGTYDMPYAFD-SECBINFHSA-N -1 3 386.227 2.792 20 5 GFBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000564147236 564222231 /nfs/dbraw/zinc/22/22/31/564222231.db2.gz GDJMZVBTOAFZGI-LLVKDONJSA-N -1 3 388.829 2.767 20 5 GFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000540321459 564244878 /nfs/dbraw/zinc/24/48/78/564244878.db2.gz RURYVPRFAXYBBT-QMMMGPOBSA-N -1 3 383.289 2.777 20 5 GFBDHM COc1cccc(C2(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000565508878 564283759 /nfs/dbraw/zinc/28/37/59/564283759.db2.gz MXYJLHBRKBSCIW-UHFFFAOYSA-N -1 3 382.463 2.983 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(Br)c1 ZINC000542240160 564306748 /nfs/dbraw/zinc/30/67/48/564306748.db2.gz LLTHMCIJIACWOF-JTQLQIEISA-N -1 3 395.300 2.921 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000542691300 564320503 /nfs/dbraw/zinc/32/05/03/564320503.db2.gz VLSOVKZOHRHIGY-ZDUSSCGKSA-N -1 3 388.804 2.540 20 5 GFBDHM CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCCC1 ZINC000567169250 564360132 /nfs/dbraw/zinc/36/01/32/564360132.db2.gz KOOMFCFNTJTVFO-UONOGXRCSA-N -1 3 385.873 2.606 20 5 GFBDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)C ZINC000512183199 564395155 /nfs/dbraw/zinc/39/51/55/564395155.db2.gz RLYVWZOREWGTKX-ZDUSSCGKSA-N -1 3 392.861 2.893 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCc2ccsc2)c1 ZINC000513137299 564422123 /nfs/dbraw/zinc/42/21/23/564422123.db2.gz JIXICDAYNLMTKE-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM CC(C)c1[nH]nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1[N+](=O)[O-] ZINC000513743309 564437788 /nfs/dbraw/zinc/43/77/88/564437788.db2.gz UOWYUUFBJNHKRB-UHFFFAOYSA-N -1 3 393.201 2.526 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c(OC(F)F)c1 ZINC000546883222 564472780 /nfs/dbraw/zinc/47/27/80/564472780.db2.gz DJXWDDXYDFIISA-UHFFFAOYSA-N -1 3 393.393 2.648 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1 ZINC000480432887 564473681 /nfs/dbraw/zinc/47/36/81/564473681.db2.gz CRTUCPLKADMCMS-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000480703514 564483203 /nfs/dbraw/zinc/48/32/03/564483203.db2.gz ZRDWPDIGOWOGHT-SNVBAGLBSA-N -1 3 383.392 2.622 20 5 GFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000481965754 564529785 /nfs/dbraw/zinc/52/97/85/564529785.db2.gz YIVXTFDIHCKTRT-UHFFFAOYSA-N -1 3 386.227 2.537 20 5 GFBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925616 564661046 /nfs/dbraw/zinc/66/10/46/564661046.db2.gz GREVCIIUFBDVAZ-GXSJLCMTSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1OCCc2sccc21 ZINC000490510331 564775025 /nfs/dbraw/zinc/77/50/25/564775025.db2.gz RYRKIDHRVURECV-RFAUZJTJSA-N -1 3 386.426 2.776 20 5 GFBDHM Cn1[n-]c(=NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1OC(F)F ZINC000491006709 564784095 /nfs/dbraw/zinc/78/40/95/564784095.db2.gz WNXAPCZKPACNEY-UHFFFAOYSA-N -1 3 392.771 2.736 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000493798363 564811198 /nfs/dbraw/zinc/81/11/98/564811198.db2.gz SMELKTDAHLUCAF-GFCCVEGCSA-N -1 3 380.463 2.799 20 5 GFBDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462709551 564856161 /nfs/dbraw/zinc/85/61/61/564856161.db2.gz UYKHTMDFPQDFLG-QWHCGFSZSA-N -1 3 393.259 2.593 20 5 GFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113486 564946176 /nfs/dbraw/zinc/94/61/76/564946176.db2.gz VKSBTTFNWYFQPV-CYBMUJFWSA-N -1 3 375.878 2.791 20 5 GFBDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000466924596 564950064 /nfs/dbraw/zinc/95/00/64/564950064.db2.gz RDIQKMAMTUFGIT-UHFFFAOYSA-N -1 3 378.834 2.648 20 5 GFBDHM CO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469304347 565013365 /nfs/dbraw/zinc/01/33/65/565013365.db2.gz UIOBENLQNRYQBS-LLVKDONJSA-N -1 3 390.767 2.802 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000535764978 565020617 /nfs/dbraw/zinc/02/06/17/565020617.db2.gz WHQPVMXSOZZGLD-DOFRTFSJSA-N -1 3 393.259 2.592 20 5 GFBDHM CS(=O)(=O)c1csc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000505124569 565049451 /nfs/dbraw/zinc/04/94/51/565049451.db2.gz KPCSVNPFZQQOAT-UHFFFAOYSA-N -1 3 392.361 2.914 20 5 GFBDHM O=C([O-])CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000593752729 565359763 /nfs/dbraw/zinc/35/97/63/565359763.db2.gz YFTJUMIZHXXVKL-UHFFFAOYSA-N -1 3 397.229 2.531 20 5 GFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(F)F ZINC000595350338 565467008 /nfs/dbraw/zinc/46/70/08/565467008.db2.gz AEBDUFJWXHBRLE-JTQLQIEISA-N -1 3 399.213 2.927 20 5 GFBDHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381392 565471572 /nfs/dbraw/zinc/47/15/72/565471572.db2.gz JNYFQNUYMUZZIP-IAQYHMDHSA-N -1 3 384.841 2.691 20 5 GFBDHM CC(C)(C)c1ccc([N-]C(=O)c2sccc2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000597632151 565568914 /nfs/dbraw/zinc/56/89/14/565568914.db2.gz QGGZFVPCYOREKF-UHFFFAOYSA-N -1 3 383.451 2.854 20 5 GFBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353174 566036759 /nfs/dbraw/zinc/03/67/59/566036759.db2.gz PMYIEVPIQWRETK-TXEJJXNPSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611021847 566111409 /nfs/dbraw/zinc/11/14/09/566111409.db2.gz KDFRJWCDVHUQSQ-IAQYHMDHSA-N -1 3 384.841 2.691 20 5 GFBDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000613483855 566198978 /nfs/dbraw/zinc/19/89/78/566198978.db2.gz SIHAZYFEFCQUIP-CYBMUJFWSA-N -1 3 382.463 2.809 20 5 GFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000820769492 599038872 /nfs/dbraw/zinc/03/88/72/599038872.db2.gz UNQIIBKBIKIEAN-DIFFPNOSSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000820769492 599038875 /nfs/dbraw/zinc/03/88/75/599038875.db2.gz UNQIIBKBIKIEAN-DIFFPNOSSA-N -1 3 384.371 2.880 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000822242531 599064843 /nfs/dbraw/zinc/06/48/43/599064843.db2.gz ODZSLRLPADYSKN-ZDUSSCGKSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000822242531 599064846 /nfs/dbraw/zinc/06/48/46/599064846.db2.gz ODZSLRLPADYSKN-ZDUSSCGKSA-N -1 3 380.412 2.559 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2nnn[n-]2)c1 ZINC000823650778 599088485 /nfs/dbraw/zinc/08/84/85/599088485.db2.gz AQHRGENLTOYRFL-UHFFFAOYSA-N -1 3 397.786 2.812 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2nn[n-]n2)c1 ZINC000823650778 599088488 /nfs/dbraw/zinc/08/84/88/599088488.db2.gz AQHRGENLTOYRFL-UHFFFAOYSA-N -1 3 397.786 2.812 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821983921 599169041 /nfs/dbraw/zinc/16/90/41/599169041.db2.gz KLNNZEZOLCKONO-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821983921 599169044 /nfs/dbraw/zinc/16/90/44/599169044.db2.gz KLNNZEZOLCKONO-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357171 599171429 /nfs/dbraw/zinc/17/14/29/599171429.db2.gz DVVXZSAHQDTVQE-CQSZACIVSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357171 599171431 /nfs/dbraw/zinc/17/14/31/599171431.db2.gz DVVXZSAHQDTVQE-CQSZACIVSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738371691 599173095 /nfs/dbraw/zinc/17/30/95/599173095.db2.gz WTPMSOSNNZMPCO-ZDUSSCGKSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738371691 599173099 /nfs/dbraw/zinc/17/30/99/599173099.db2.gz WTPMSOSNNZMPCO-ZDUSSCGKSA-N -1 3 383.387 2.995 20 5 GFBDHM COc1cccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737130619 599255213 /nfs/dbraw/zinc/25/52/13/599255213.db2.gz ITHGPHIGLDCAQF-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM COc1cccc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737130619 599255214 /nfs/dbraw/zinc/25/52/14/599255214.db2.gz ITHGPHIGLDCAQF-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738233050 599261749 /nfs/dbraw/zinc/26/17/49/599261749.db2.gz CSIKMMUQOKRAKM-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738233050 599261752 /nfs/dbraw/zinc/26/17/52/599261752.db2.gz CSIKMMUQOKRAKM-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM Cc1c(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000737211687 598256412 /nfs/dbraw/zinc/25/64/12/598256412.db2.gz NWJYJZNJINVBQH-UHFFFAOYSA-N -1 3 397.414 2.545 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000737221882 598272506 /nfs/dbraw/zinc/27/25/06/598272506.db2.gz QVVTWSLLBRTPKC-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000737221882 598272508 /nfs/dbraw/zinc/27/25/08/598272508.db2.gz QVVTWSLLBRTPKC-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737511356 598339637 /nfs/dbraw/zinc/33/96/37/598339637.db2.gz KCCYQMHLZDJALR-GFCCVEGCSA-N -1 3 388.819 2.812 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737511356 598339639 /nfs/dbraw/zinc/33/96/39/598339639.db2.gz KCCYQMHLZDJALR-GFCCVEGCSA-N -1 3 388.819 2.812 20 5 GFBDHM COc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737072034 598363589 /nfs/dbraw/zinc/36/35/89/598363589.db2.gz IKGCZJJDGMVCQR-UHFFFAOYSA-N -1 3 399.411 2.577 20 5 GFBDHM COc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737072034 598363591 /nfs/dbraw/zinc/36/35/91/598363591.db2.gz IKGCZJJDGMVCQR-UHFFFAOYSA-N -1 3 399.411 2.577 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000737042826 598488611 /nfs/dbraw/zinc/48/86/11/598488611.db2.gz SIJOJGDRWVYVAZ-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000737042826 598488612 /nfs/dbraw/zinc/48/86/12/598488612.db2.gz SIJOJGDRWVYVAZ-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000738168277 598600006 /nfs/dbraw/zinc/60/00/06/598600006.db2.gz XXYZPJJWYCCNLE-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000738168277 598600008 /nfs/dbraw/zinc/60/00/08/598600008.db2.gz XXYZPJJWYCCNLE-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM O=[N+]([O-])c1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000823646793 599501584 /nfs/dbraw/zinc/50/15/84/599501584.db2.gz AJUQFJJYVCUOBO-UHFFFAOYSA-N -1 3 383.318 2.635 20 5 GFBDHM O=[N+]([O-])c1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000823646793 599501587 /nfs/dbraw/zinc/50/15/87/599501587.db2.gz AJUQFJJYVCUOBO-UHFFFAOYSA-N -1 3 383.318 2.635 20 5 GFBDHM CCOC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821368328 599558016 /nfs/dbraw/zinc/55/80/16/599558016.db2.gz TXQJTXAHPANMRP-LBPRGKRZSA-N -1 3 383.412 2.576 20 5 GFBDHM CCOC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821368328 599558017 /nfs/dbraw/zinc/55/80/17/599558017.db2.gz TXQJTXAHPANMRP-LBPRGKRZSA-N -1 3 383.412 2.576 20 5 GFBDHM O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000823530301 599577501 /nfs/dbraw/zinc/57/75/01/599577501.db2.gz IPZDPSNYRCBQDR-KRWDZBQOSA-N -1 3 393.407 2.551 20 5 GFBDHM O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000823530301 599577502 /nfs/dbraw/zinc/57/75/02/599577502.db2.gz IPZDPSNYRCBQDR-KRWDZBQOSA-N -1 3 393.407 2.551 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400889 607425740 /nfs/dbraw/zinc/42/57/40/607425740.db2.gz KPKNNTJOEMKYCE-TWGQIWQCSA-N -1 3 376.376 2.594 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400889 607425742 /nfs/dbraw/zinc/42/57/42/607425742.db2.gz KPKNNTJOEMKYCE-TWGQIWQCSA-N -1 3 376.376 2.594 20 5 GFBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826045638 601652872 /nfs/dbraw/zinc/65/28/72/601652872.db2.gz VVYMAVCPIYOBLC-BFUOFWGJSA-N -1 3 383.404 2.536 20 5 GFBDHM CCOC(=O)c1cc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000825559593 607557699 /nfs/dbraw/zinc/55/76/99/607557699.db2.gz IQGPFHROGJFEIE-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CCOC(=O)c1cc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000825559593 607557702 /nfs/dbraw/zinc/55/77/02/607557702.db2.gz IQGPFHROGJFEIE-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1 ZINC000833307900 604282374 /nfs/dbraw/zinc/28/23/74/604282374.db2.gz SJLHIHOIEWYLJQ-UHFFFAOYSA-N -1 3 378.385 2.656 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000826250173 607703707 /nfs/dbraw/zinc/70/37/07/607703707.db2.gz NZIABGBCUAMOAQ-UHFFFAOYSA-N -1 3 375.348 2.884 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000826250173 607703708 /nfs/dbraw/zinc/70/37/08/607703708.db2.gz NZIABGBCUAMOAQ-UHFFFAOYSA-N -1 3 375.348 2.884 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncc([N+](=O)[O-])cc1Br ZINC000821613166 606430633 /nfs/dbraw/zinc/43/06/33/606430633.db2.gz ADSKRNWILFCRDG-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncc([N+](=O)[O-])cc1Br ZINC000821613166 606430634 /nfs/dbraw/zinc/43/06/34/606430634.db2.gz ADSKRNWILFCRDG-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822201109 606470919 /nfs/dbraw/zinc/47/09/19/606470919.db2.gz QYSOACQHWXRGRF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822201109 606470920 /nfs/dbraw/zinc/47/09/20/606470920.db2.gz QYSOACQHWXRGRF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822271220 606642995 /nfs/dbraw/zinc/64/29/95/606642995.db2.gz RDUHJYWIMPCSLQ-UHFFFAOYSA-N -1 3 385.359 2.853 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822271220 606642996 /nfs/dbraw/zinc/64/29/96/606642996.db2.gz RDUHJYWIMPCSLQ-UHFFFAOYSA-N -1 3 385.359 2.853 20 5 GFBDHM O=[N+]([O-])c1cc(NCC2(c3ccccc3)CCOCC2)ccc1-c1nnn[n-]1 ZINC000823635258 606645206 /nfs/dbraw/zinc/64/52/06/606645206.db2.gz UPMAYDFNHSACID-UHFFFAOYSA-N -1 3 380.408 2.935 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822930434 606943904 /nfs/dbraw/zinc/94/39/04/606943904.db2.gz ZVQZVOHQOUXHJE-JXMROGBWSA-N -1 3 395.375 2.800 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822930434 606943906 /nfs/dbraw/zinc/94/39/06/606943906.db2.gz ZVQZVOHQOUXHJE-JXMROGBWSA-N -1 3 395.375 2.800 20 5 GFBDHM CN(Cc1cc(Br)cn1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821607149 606950127 /nfs/dbraw/zinc/95/01/27/606950127.db2.gz AZDWBFKCAHLFII-UHFFFAOYSA-N -1 3 392.217 2.512 20 5 GFBDHM CN(Cc1cc(Br)cn1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821607149 606950129 /nfs/dbraw/zinc/95/01/29/606950129.db2.gz AZDWBFKCAHLFII-UHFFFAOYSA-N -1 3 392.217 2.512 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000822222449 607050874 /nfs/dbraw/zinc/05/08/74/607050874.db2.gz HKJLBNGHOGTXCW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000822222449 607050875 /nfs/dbraw/zinc/05/08/75/607050875.db2.gz HKJLBNGHOGTXCW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203390 607086293 /nfs/dbraw/zinc/08/62/93/607086293.db2.gz RCIJBZAADXHXNY-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203390 607086295 /nfs/dbraw/zinc/08/62/95/607086295.db2.gz RCIJBZAADXHXNY-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821412307 607157431 /nfs/dbraw/zinc/15/74/31/607157431.db2.gz JPGUXGBPBZCZJQ-UHFFFAOYSA-N -1 3 386.343 2.873 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000824655041 607904471 /nfs/dbraw/zinc/90/44/71/607904471.db2.gz AXSZOIBTZSTKGQ-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(-n2ccnn2)cc1 ZINC000824655041 607904472 /nfs/dbraw/zinc/90/44/72/607904472.db2.gz AXSZOIBTZSTKGQ-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824491359 607939855 /nfs/dbraw/zinc/93/98/55/607939855.db2.gz UAEJCDFZRFMRBQ-LBPRGKRZSA-N -1 3 393.407 2.604 20 5 GFBDHM C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824491359 607939856 /nfs/dbraw/zinc/93/98/56/607939856.db2.gz UAEJCDFZRFMRBQ-LBPRGKRZSA-N -1 3 393.407 2.604 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826497390 607969148 /nfs/dbraw/zinc/96/91/48/607969148.db2.gz FVLOMYQSCSHVCN-ZDUSSCGKSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826497390 607969149 /nfs/dbraw/zinc/96/91/49/607969149.db2.gz FVLOMYQSCSHVCN-ZDUSSCGKSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498777 608099803 /nfs/dbraw/zinc/09/98/03/608099803.db2.gz JINGKFYAXMHIEA-AWEZNQCLSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498777 608099804 /nfs/dbraw/zinc/09/98/04/608099804.db2.gz JINGKFYAXMHIEA-AWEZNQCLSA-N -1 3 378.751 2.713 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826183892 608104685 /nfs/dbraw/zinc/10/46/85/608104685.db2.gz DPGLTRNFVJPMPK-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cccc1-c1nnn[n-]1 ZINC000826242484 608114990 /nfs/dbraw/zinc/11/49/90/608114990.db2.gz QYQYQAGBIJDZNU-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cccc1-c1nn[n-]n1 ZINC000826242484 608114991 /nfs/dbraw/zinc/11/49/91/608114991.db2.gz QYQYQAGBIJDZNU-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826244474 608121566 /nfs/dbraw/zinc/12/15/66/608121566.db2.gz UITTWZHLAJOOSV-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826244474 608121567 /nfs/dbraw/zinc/12/15/67/608121567.db2.gz UITTWZHLAJOOSV-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824715034 608181638 /nfs/dbraw/zinc/18/16/38/608181638.db2.gz QMQBYWWHRZVJSR-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824715034 608181640 /nfs/dbraw/zinc/18/16/40/608181640.db2.gz QMQBYWWHRZVJSR-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826172562 608348065 /nfs/dbraw/zinc/34/80/65/608348065.db2.gz MUCLVLRWCDXRGO-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826172562 608348067 /nfs/dbraw/zinc/34/80/67/608348067.db2.gz MUCLVLRWCDXRGO-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466470 608455545 /nfs/dbraw/zinc/45/55/45/608455545.db2.gz DYOUSMHZXPXRBZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466470 608455547 /nfs/dbraw/zinc/45/55/47/608455547.db2.gz DYOUSMHZXPXRBZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(c1csc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474800 608480997 /nfs/dbraw/zinc/48/09/97/608480997.db2.gz GEUHBAXYDQSAHP-UHFFFAOYSA-N -1 3 382.405 2.766 20 5 GFBDHM O=C(c1csc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474800 608480998 /nfs/dbraw/zinc/48/09/98/608480998.db2.gz GEUHBAXYDQSAHP-UHFFFAOYSA-N -1 3 382.405 2.766 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826500417 608515243 /nfs/dbraw/zinc/51/52/43/608515243.db2.gz XVCRVPNIJRHYHB-ALCCZGGFSA-N -1 3 391.435 2.610 20 5 GFBDHM Cc1oc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826283724 608554001 /nfs/dbraw/zinc/55/40/01/608554001.db2.gz YRQVXHYBLTUCSF-NSHDSACASA-N -1 3 399.411 2.582 20 5 GFBDHM COc1cc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826181229 609165875 /nfs/dbraw/zinc/16/58/75/609165875.db2.gz QGEVLTLBRVOXBN-UHFFFAOYSA-N -1 3 392.379 2.786 20 5 GFBDHM COc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1[N+](=O)[O-] ZINC000826181229 609165876 /nfs/dbraw/zinc/16/58/76/609165876.db2.gz QGEVLTLBRVOXBN-UHFFFAOYSA-N -1 3 392.379 2.786 20 5 GFBDHM CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184055 609396905 /nfs/dbraw/zinc/39/69/05/609396905.db2.gz QPMXCNVCTINICH-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184055 609396908 /nfs/dbraw/zinc/39/69/08/609396908.db2.gz QPMXCNVCTINICH-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826293463 609576899 /nfs/dbraw/zinc/57/68/99/609576899.db2.gz QBBQPAYHYBUWPN-OAHLLOKOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826293463 609576901 /nfs/dbraw/zinc/57/69/01/609576901.db2.gz QBBQPAYHYBUWPN-OAHLLOKOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826465281 609617578 /nfs/dbraw/zinc/61/75/78/609617578.db2.gz GQBUMFBXBDOOSX-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826465281 609617579 /nfs/dbraw/zinc/61/75/79/609617579.db2.gz GQBUMFBXBDOOSX-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000831823188 660729379 /nfs/dbraw/zinc/72/93/79/660729379.db2.gz RLMCYIDYPZRKLJ-JOYOIKCWSA-N -1 3 395.275 2.697 20 5 GFBDHM CSc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024886001 654545782 /nfs/dbraw/zinc/54/57/82/654545782.db2.gz ZMEFVQBRNJRPBK-UHFFFAOYSA-N -1 3 381.435 2.941 20 5 GFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc([N+](=O)[O-])cc1Br ZINC000129779247 654873297 /nfs/dbraw/zinc/87/32/97/654873297.db2.gz MPMFGJSHGREMFT-UHFFFAOYSA-N -1 3 380.133 2.791 20 5 GFBDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000068960486 654970337 /nfs/dbraw/zinc/97/03/37/654970337.db2.gz SPBZQAJJYIRDSJ-UHFFFAOYSA-N -1 3 388.833 2.666 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000135974590 655025983 /nfs/dbraw/zinc/02/59/83/655025983.db2.gz NJRFMIFKAYQDNO-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000269975103 655029736 /nfs/dbraw/zinc/02/97/36/655029736.db2.gz YMNSALGHJITSBP-SECBINFHSA-N -1 3 393.259 2.593 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000101568763 655044139 /nfs/dbraw/zinc/04/41/39/655044139.db2.gz PLSGNQXOVHKOAF-LBPRGKRZSA-N -1 3 389.886 2.891 20 5 GFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000270760103 655055395 /nfs/dbraw/zinc/05/53/95/655055395.db2.gz XLWOGJIQQVMAAD-UHFFFAOYSA-N -1 3 384.801 2.848 20 5 GFBDHM COC(=O)CCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272797552 655121896 /nfs/dbraw/zinc/12/18/96/655121896.db2.gz DENKXAPDZNXLLY-UHFFFAOYSA-N -1 3 384.435 2.909 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(Br)c1 ZINC000578744752 655486066 /nfs/dbraw/zinc/48/60/66/655486066.db2.gz UDNMEJYXCOHJEH-BDAKNGLRSA-N -1 3 381.223 2.916 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000742321166 655715730 /nfs/dbraw/zinc/71/57/30/655715730.db2.gz KVUBMGXGHMOZCK-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCCCC3)O2)c(Cl)c1 ZINC000775727920 656675102 /nfs/dbraw/zinc/67/51/02/656675102.db2.gz BINYAAFQFYPKHZ-LBPRGKRZSA-N -1 3 390.845 2.602 20 5 GFBDHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834851 659947278 /nfs/dbraw/zinc/94/72/78/659947278.db2.gz GTNSDXBSYSWUMK-SECBINFHSA-N -1 3 382.269 2.664 20 5 GFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000813745033 660062764 /nfs/dbraw/zinc/06/27/64/660062764.db2.gz ZYQWGZRDFQHYRC-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034803 660105057 /nfs/dbraw/zinc/10/50/57/660105057.db2.gz CEAICPGLJNFALJ-MNOVXSKESA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC000921716812 664563764 /nfs/dbraw/zinc/56/37/64/664563764.db2.gz OAVJDOUQDUMXSO-BDAKNGLRSA-N -1 3 395.300 2.920 20 5 GFBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000057018802 205153329 /nfs/dbraw/zinc/15/33/29/205153329.db2.gz RVMNJNODWXHKBO-UHFFFAOYSA-N -1 3 378.406 2.558 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000121565500 551237327 /nfs/dbraw/zinc/23/73/27/551237327.db2.gz HVIWSZBXWNOMHL-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ncccc2Cl)c1C ZINC000121621479 551238011 /nfs/dbraw/zinc/23/80/11/551238011.db2.gz OFNYEHINAUWXFI-UHFFFAOYSA-N -1 3 385.829 2.617 20 5 GFBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000123376581 551306043 /nfs/dbraw/zinc/30/60/43/551306043.db2.gz IFIPYMAEWDSSQU-ZDUSSCGKSA-N -1 3 387.483 2.919 20 5 GFBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123831812 551308891 /nfs/dbraw/zinc/30/88/91/551308891.db2.gz ILXFHVWAMDMDSG-JTQLQIEISA-N -1 3 384.376 2.691 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cnc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128756128 551352068 /nfs/dbraw/zinc/35/20/68/551352068.db2.gz GDBKBXBRNKBKRW-UHFFFAOYSA-N -1 3 397.265 2.749 20 5 GFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000163499131 551620046 /nfs/dbraw/zinc/62/00/46/551620046.db2.gz BSGUMOITEDUTKN-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM Cc1nn(CCC(=O)Nc2cc(Br)ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000176433668 552140438 /nfs/dbraw/zinc/14/04/38/552140438.db2.gz JJARNXJJGOLENE-UHFFFAOYSA-N -1 3 383.202 2.905 20 5 GFBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539352 563215992 /nfs/dbraw/zinc/21/59/92/563215992.db2.gz IAPKAXXKRVGUHP-WBMJQRKESA-N -1 3 381.479 2.628 20 5 GFBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000278652704 563264781 /nfs/dbraw/zinc/26/47/81/563264781.db2.gz GQQBBSPFGFELEI-UHFFFAOYSA-N -1 3 381.273 2.531 20 5 GFBDHM COc1cc(CNC[C@@H](O)c2cccc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000282607813 563417915 /nfs/dbraw/zinc/41/79/15/563417915.db2.gz DNMDFLNMCSXLIK-OAHLLOKOSA-N -1 3 397.225 2.895 20 5 GFBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000378252281 563500338 /nfs/dbraw/zinc/50/03/38/563500338.db2.gz OCHYWYOCDYIVKM-LLVKDONJSA-N -1 3 384.845 2.609 20 5 GFBDHM COc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1[N+](=O)[O-] ZINC000430103533 563533254 /nfs/dbraw/zinc/53/32/54/563533254.db2.gz KHVOOLNQWDANMW-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286071537 563547560 /nfs/dbraw/zinc/54/75/60/563547560.db2.gz SJFRMVOOMAWLDQ-UHFFFAOYSA-N -1 3 390.824 2.651 20 5 GFBDHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cs1 ZINC000290204711 563701228 /nfs/dbraw/zinc/70/12/28/563701228.db2.gz UKNXKKBAZRJHGV-UHFFFAOYSA-N -1 3 391.858 2.638 20 5 GFBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)N(C)C ZINC000291522694 563745817 /nfs/dbraw/zinc/74/58/17/563745817.db2.gz YJOWJLNYEKOTIO-UHFFFAOYSA-N -1 3 383.451 2.721 20 5 GFBDHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000443364406 563802655 /nfs/dbraw/zinc/80/26/55/563802655.db2.gz ADRFVOXLWBPKKG-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3c(F)cccc3Cl)nc2c1 ZINC000443989784 563817738 /nfs/dbraw/zinc/81/77/38/563817738.db2.gz RMEAJFDPSSQWNX-UHFFFAOYSA-N -1 3 384.776 2.742 20 5 GFBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418075 563825747 /nfs/dbraw/zinc/82/57/47/563825747.db2.gz ZOENCDVXHSZYPV-ONGXEEELSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593910 563851542 /nfs/dbraw/zinc/85/15/42/563851542.db2.gz PNASSULBIKWRDX-SFYZADRCSA-N -1 3 381.273 2.530 20 5 GFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540322076 564244901 /nfs/dbraw/zinc/24/49/01/564244901.db2.gz FOTWSIYPRXQDMW-SECBINFHSA-N -1 3 383.289 2.777 20 5 GFBDHM COC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000451611689 564331364 /nfs/dbraw/zinc/33/13/64/564331364.db2.gz LUSRLPLJGYIZNM-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c2ncccc12 ZINC000510507789 564336594 /nfs/dbraw/zinc/33/65/94/564336594.db2.gz KSMOAFQYJRVLKK-UHFFFAOYSA-N -1 3 375.328 2.764 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000451681239 564339127 /nfs/dbraw/zinc/33/91/27/564339127.db2.gz NSIUJKLOCALTFB-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000913 564379394 /nfs/dbraw/zinc/37/93/94/564379394.db2.gz XGKRXEKPRXEQIY-AMIZOPFISA-N -1 3 382.360 2.705 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(Br)c1 ZINC000480417639 564471992 /nfs/dbraw/zinc/47/19/92/564471992.db2.gz WXLMEPSOANANKI-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000481051686 564501319 /nfs/dbraw/zinc/50/13/19/564501319.db2.gz CHGWMPJGFBJRQN-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM COC(=O)c1cnc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000481976961 564530752 /nfs/dbraw/zinc/53/07/52/564530752.db2.gz YIISHNDNDAMFLA-UHFFFAOYSA-N -1 3 383.407 2.821 20 5 GFBDHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000519488971 564578820 /nfs/dbraw/zinc/57/88/20/564578820.db2.gz XFIIHZRUMCJCGN-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM O=C([N-]c1nncn1-c1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000577292290 564732939 /nfs/dbraw/zinc/73/29/39/564732939.db2.gz KHCQTWFEAUDWOG-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000489799537 564753675 /nfs/dbraw/zinc/75/36/75/564753675.db2.gz JPTBKGTWUUJLKL-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000491590365 564793375 /nfs/dbraw/zinc/79/33/75/564793375.db2.gz ZJQUDGKRIRUYLG-UWVGGRQHSA-N -1 3 378.447 2.695 20 5 GFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061743 564954359 /nfs/dbraw/zinc/95/43/59/564954359.db2.gz BQVNUGOTSBDKTI-GOEBONIOSA-N -1 3 382.463 2.982 20 5 GFBDHM CCOc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC ZINC000467421823 564963402 /nfs/dbraw/zinc/96/34/02/564963402.db2.gz YWZZLDWNAGTJEK-UHFFFAOYSA-N -1 3 386.451 2.851 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[n-]1 ZINC000619449282 565341032 /nfs/dbraw/zinc/34/10/32/565341032.db2.gz ZWALOVCQPSMYKU-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c[n-]1 ZINC000619449282 565341036 /nfs/dbraw/zinc/34/10/36/565341036.db2.gz ZWALOVCQPSMYKU-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594819076 565425070 /nfs/dbraw/zinc/42/50/70/565425070.db2.gz NSTYCQQNNKKUAG-ZDUSSCGKSA-N -1 3 382.360 2.763 20 5 GFBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(Cl)ccc1[O-] ZINC000609392124 566038805 /nfs/dbraw/zinc/03/88/05/566038805.db2.gz RMISMKAJFRAFNF-UHFFFAOYSA-N -1 3 384.175 2.976 20 5 GFBDHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000737238792 598882003 /nfs/dbraw/zinc/88/20/03/598882003.db2.gz UGQZZYFXELSXDR-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000737238792 598882005 /nfs/dbraw/zinc/88/20/05/598882005.db2.gz UGQZZYFXELSXDR-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822242440 599061002 /nfs/dbraw/zinc/06/10/02/599061002.db2.gz LFPMXXOWCLWOOT-KRWDZBQOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822242440 599061004 /nfs/dbraw/zinc/06/10/04/599061004.db2.gz LFPMXXOWCLWOOT-KRWDZBQOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccnc(-c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1 ZINC000737438183 599061341 /nfs/dbraw/zinc/06/13/41/599061341.db2.gz ZLZMFINPWWUNCD-UHFFFAOYSA-N -1 3 375.352 2.679 20 5 GFBDHM Cc1ccnc(-c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737438183 599061343 /nfs/dbraw/zinc/06/13/43/599061343.db2.gz ZLZMFINPWWUNCD-UHFFFAOYSA-N -1 3 375.352 2.679 20 5 GFBDHM Cn1ccnc1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000822699220 599091222 /nfs/dbraw/zinc/09/12/22/599091222.db2.gz SMNUQGAEDIAWDK-KRWDZBQOSA-N -1 3 390.407 2.904 20 5 GFBDHM Cn1ccnc1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000822699220 599091225 /nfs/dbraw/zinc/09/12/25/599091225.db2.gz SMNUQGAEDIAWDK-KRWDZBQOSA-N -1 3 390.407 2.904 20 5 GFBDHM CC(C)Oc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735915862 599170733 /nfs/dbraw/zinc/17/07/33/599170733.db2.gz TZCFBRACHUQVML-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735915862 599170735 /nfs/dbraw/zinc/17/07/35/599170735.db2.gz TZCFBRACHUQVML-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM O=C(c1sccc1-c1nnn[n-]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738291588 599207640 /nfs/dbraw/zinc/20/76/40/599207640.db2.gz VKVNKAXDYLZHMN-OAHLLOKOSA-N -1 3 388.434 2.724 20 5 GFBDHM O=C(c1sccc1-c1nn[n-]n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738291588 599207643 /nfs/dbraw/zinc/20/76/43/599207643.db2.gz VKVNKAXDYLZHMN-OAHLLOKOSA-N -1 3 388.434 2.724 20 5 GFBDHM COc1cccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737141845 599231053 /nfs/dbraw/zinc/23/10/53/599231053.db2.gz ZNOPEWKJHSZQIA-CYBMUJFWSA-N -1 3 395.423 2.864 20 5 GFBDHM COc1cccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737141845 599231056 /nfs/dbraw/zinc/23/10/56/599231056.db2.gz ZNOPEWKJHSZQIA-CYBMUJFWSA-N -1 3 395.423 2.864 20 5 GFBDHM CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821581631 599246877 /nfs/dbraw/zinc/24/68/77/599246877.db2.gz QVDMERCTCQUNBU-AWEZNQCLSA-N -1 3 388.819 2.538 20 5 GFBDHM CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821581631 599246880 /nfs/dbraw/zinc/24/68/80/599246880.db2.gz QVDMERCTCQUNBU-AWEZNQCLSA-N -1 3 388.819 2.538 20 5 GFBDHM COc1ccccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737150544 599253662 /nfs/dbraw/zinc/25/36/62/599253662.db2.gz AWFYWVNIRIDRIZ-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccccc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737150544 599253664 /nfs/dbraw/zinc/25/36/64/599253664.db2.gz AWFYWVNIRIDRIZ-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737131463 599255335 /nfs/dbraw/zinc/25/53/35/599255335.db2.gz DGSVJPGYAWUEEC-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737131463 599255336 /nfs/dbraw/zinc/25/53/36/599255336.db2.gz DGSVJPGYAWUEEC-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sccc1-c1nnn[n-]1 ZINC000738235584 599261634 /nfs/dbraw/zinc/26/16/34/599261634.db2.gz SZCNRNSCKYYENZ-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736741610 598310224 /nfs/dbraw/zinc/31/02/24/598310224.db2.gz GRNNFLUHPJGCEU-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736741610 598310226 /nfs/dbraw/zinc/31/02/26/598310226.db2.gz GRNNFLUHPJGCEU-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)c1 ZINC000738367936 598548847 /nfs/dbraw/zinc/54/88/47/598548847.db2.gz XHAQBCZKWOMWGK-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)c1 ZINC000738367936 598548848 /nfs/dbraw/zinc/54/88/48/598548848.db2.gz XHAQBCZKWOMWGK-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000738360492 598613833 /nfs/dbraw/zinc/61/38/33/598613833.db2.gz XIKDZAYWFOXRAK-ZDUSSCGKSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000738360492 598613834 /nfs/dbraw/zinc/61/38/34/598613834.db2.gz XIKDZAYWFOXRAK-ZDUSSCGKSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000738369548 598798065 /nfs/dbraw/zinc/79/80/65/598798065.db2.gz IIVIEZPFOSBDDN-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000738369548 598798067 /nfs/dbraw/zinc/79/80/67/598798067.db2.gz IIVIEZPFOSBDDN-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823647871 599387920 /nfs/dbraw/zinc/38/79/20/599387920.db2.gz OSUDVKPLEYCFQO-UHFFFAOYSA-N -1 3 388.347 2.828 20 5 GFBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823647871 599387922 /nfs/dbraw/zinc/38/79/22/599387922.db2.gz OSUDVKPLEYCFQO-UHFFFAOYSA-N -1 3 388.347 2.828 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)nc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644748 599487553 /nfs/dbraw/zinc/48/75/53/599487553.db2.gz LPSJVHKGCUTDIE-UHFFFAOYSA-N -1 3 382.771 2.984 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)nc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644748 599487556 /nfs/dbraw/zinc/48/75/56/599487556.db2.gz LPSJVHKGCUTDIE-UHFFFAOYSA-N -1 3 382.771 2.984 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(O)c(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823644264 599567863 /nfs/dbraw/zinc/56/78/63/599567863.db2.gz IHTNSFUBYCYATE-UHFFFAOYSA-N -1 3 381.327 2.780 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)c3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000823644686 599571752 /nfs/dbraw/zinc/57/17/52/599571752.db2.gz KLHWPBJRTVWELQ-AWEZNQCLSA-N -1 3 397.420 2.920 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)c3cccs3)cc(-c3nn[n-]n3)c2c1 ZINC000823644686 599571754 /nfs/dbraw/zinc/57/17/54/599571754.db2.gz KLHWPBJRTVWELQ-AWEZNQCLSA-N -1 3 397.420 2.920 20 5 GFBDHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821772839 607407574 /nfs/dbraw/zinc/40/75/74/607407574.db2.gz RYCOTKIORBNWFB-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821772839 607407576 /nfs/dbraw/zinc/40/75/76/607407576.db2.gz RYCOTKIORBNWFB-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821745249 607412107 /nfs/dbraw/zinc/41/21/07/607412107.db2.gz LYLLWGIRCUCSJS-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821745249 607412109 /nfs/dbraw/zinc/41/21/09/607412109.db2.gz LYLLWGIRCUCSJS-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000821736407 607418015 /nfs/dbraw/zinc/41/80/15/607418015.db2.gz JCEFFWTYTKJYAY-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000821736407 607418017 /nfs/dbraw/zinc/41/80/17/607418017.db2.gz JCEFFWTYTKJYAY-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CC1(Cl)Cl ZINC000826450240 607525089 /nfs/dbraw/zinc/52/50/89/607525089.db2.gz CJAZBEOXOCKOIO-RXMQYKEDSA-N -1 3 377.575 2.561 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CC1(Cl)Cl ZINC000826450240 607525091 /nfs/dbraw/zinc/52/50/91/607525091.db2.gz CJAZBEOXOCKOIO-RXMQYKEDSA-N -1 3 377.575 2.561 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc(F)cc(F)c1 ZINC000826450940 607525456 /nfs/dbraw/zinc/52/54/56/607525456.db2.gz JJSVOPNVRBXXGB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cc(F)cc(F)c1 ZINC000826450940 607525458 /nfs/dbraw/zinc/52/54/58/607525458.db2.gz JJSVOPNVRBXXGB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C([O-])NC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000740612991 602572151 /nfs/dbraw/zinc/57/21/51/602572151.db2.gz KSWSOQCRTUYCQH-INIZCTEOSA-N -1 3 379.413 2.767 20 5 GFBDHM Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826272092 607580475 /nfs/dbraw/zinc/58/04/75/607580475.db2.gz UFHBTGKPMMPUNR-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cnn(CCSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)c1 ZINC000823652207 606046858 /nfs/dbraw/zinc/04/68/58/606046858.db2.gz WNGCIZQWPUDEKK-UHFFFAOYSA-N -1 3 394.420 2.826 20 5 GFBDHM O=[N+]([O-])c1cnn(CCSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)c1 ZINC000823652207 606046865 /nfs/dbraw/zinc/04/68/65/606046865.db2.gz WNGCIZQWPUDEKK-UHFFFAOYSA-N -1 3 394.420 2.826 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000823512586 606106567 /nfs/dbraw/zinc/10/65/67/606106567.db2.gz OZPZHVNFEBBDRT-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000823512586 606106568 /nfs/dbraw/zinc/10/65/68/606106568.db2.gz OZPZHVNFEBBDRT-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821343287 606221411 /nfs/dbraw/zinc/22/14/11/606221411.db2.gz NKZVUQJJFHXQPQ-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821343287 606221412 /nfs/dbraw/zinc/22/14/12/606221412.db2.gz NKZVUQJJFHXQPQ-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820461332 606429998 /nfs/dbraw/zinc/42/99/98/606429998.db2.gz HWPOQWDMIWNAEV-NSHDSACASA-N -1 3 392.379 2.922 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820461332 606430000 /nfs/dbraw/zinc/43/00/00/606430000.db2.gz HWPOQWDMIWNAEV-NSHDSACASA-N -1 3 392.379 2.922 20 5 GFBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820086986 606537480 /nfs/dbraw/zinc/53/74/80/606537480.db2.gz IVYPGYPBJKYREV-UHFFFAOYSA-N -1 3 395.423 2.656 20 5 GFBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820086986 606537483 /nfs/dbraw/zinc/53/74/83/606537483.db2.gz IVYPGYPBJKYREV-UHFFFAOYSA-N -1 3 395.423 2.656 20 5 GFBDHM CC(C)(NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819988221 606585888 /nfs/dbraw/zinc/58/58/88/606585888.db2.gz URPIGTDTJBQYBP-UHFFFAOYSA-N -1 3 381.396 2.509 20 5 GFBDHM CC(C)(NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819988221 606585889 /nfs/dbraw/zinc/58/58/89/606585889.db2.gz URPIGTDTJBQYBP-UHFFFAOYSA-N -1 3 381.396 2.509 20 5 GFBDHM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821638652 606757092 /nfs/dbraw/zinc/75/70/92/606757092.db2.gz FDUXASJIJLROTO-ZDUSSCGKSA-N -1 3 396.407 2.591 20 5 GFBDHM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821638652 606757094 /nfs/dbraw/zinc/75/70/94/606757094.db2.gz FDUXASJIJLROTO-ZDUSSCGKSA-N -1 3 396.407 2.591 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822928417 606812508 /nfs/dbraw/zinc/81/25/08/606812508.db2.gz IDDUFLFRGMOBOQ-VMPITWQZSA-N -1 3 384.783 2.758 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822928417 606812511 /nfs/dbraw/zinc/81/25/11/606812511.db2.gz IDDUFLFRGMOBOQ-VMPITWQZSA-N -1 3 384.783 2.758 20 5 GFBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823040345 607137455 /nfs/dbraw/zinc/13/74/55/607137455.db2.gz IEVQKUMUZAWNSL-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823040345 607137456 /nfs/dbraw/zinc/13/74/56/607137456.db2.gz IEVQKUMUZAWNSL-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM Cc1cnc(CCN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000826318464 607850303 /nfs/dbraw/zinc/85/03/03/607850303.db2.gz KQAXVHBEVICXPV-UHFFFAOYSA-N -1 3 396.436 2.767 20 5 GFBDHM Cc1cnc(CCN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000826318464 607850304 /nfs/dbraw/zinc/85/03/04/607850304.db2.gz KQAXVHBEVICXPV-UHFFFAOYSA-N -1 3 396.436 2.767 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000824655046 607904401 /nfs/dbraw/zinc/90/44/01/607904401.db2.gz AXSZOIBTZSTKGQ-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(-n2ccnn2)cc1 ZINC000824655046 607904402 /nfs/dbraw/zinc/90/44/02/607904402.db2.gz AXSZOIBTZSTKGQ-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000826252868 608128423 /nfs/dbraw/zinc/12/84/23/608128423.db2.gz WIIIANSVOBKELF-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000826252868 608128424 /nfs/dbraw/zinc/12/84/24/608128424.db2.gz WIIIANSVOBKELF-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824651401 608273569 /nfs/dbraw/zinc/27/35/69/608273569.db2.gz ZIZIHZOSIHADAF-MRVPVSSYSA-N -1 3 390.201 2.527 20 5 GFBDHM C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824651401 608273571 /nfs/dbraw/zinc/27/35/71/608273571.db2.gz ZIZIHZOSIHADAF-MRVPVSSYSA-N -1 3 390.201 2.527 20 5 GFBDHM CSc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826230503 608435329 /nfs/dbraw/zinc/43/53/29/608435329.db2.gz WYTRJLGNQRVMLW-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826230503 608435330 /nfs/dbraw/zinc/43/53/30/608435330.db2.gz WYTRJLGNQRVMLW-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nnn[n-]2)c1F ZINC000826420787 608435420 /nfs/dbraw/zinc/43/54/20/608435420.db2.gz CAJDQWUSXUZVCC-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[n-]n2)c1F ZINC000826420787 608435422 /nfs/dbraw/zinc/43/54/22/608435422.db2.gz CAJDQWUSXUZVCC-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826424256 608445177 /nfs/dbraw/zinc/44/51/77/608445177.db2.gz CPUJHUJJNSBXIV-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826424256 608445178 /nfs/dbraw/zinc/44/51/78/608445178.db2.gz CPUJHUJJNSBXIV-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826466319 608455549 /nfs/dbraw/zinc/45/55/49/608455549.db2.gz XLBYIFWXNZJXIC-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826466319 608455550 /nfs/dbraw/zinc/45/55/50/608455550.db2.gz XLBYIFWXNZJXIC-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000826173941 608828268 /nfs/dbraw/zinc/82/82/68/608828268.db2.gz BRJGTFZMFDNORX-UHFFFAOYSA-N -1 3 383.364 2.928 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000826173941 608828270 /nfs/dbraw/zinc/82/82/70/608828270.db2.gz BRJGTFZMFDNORX-UHFFFAOYSA-N -1 3 383.364 2.928 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466020 609353048 /nfs/dbraw/zinc/35/30/48/609353048.db2.gz MHOJJDFCZYLVAY-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466020 609353050 /nfs/dbraw/zinc/35/30/50/609353050.db2.gz MHOJJDFCZYLVAY-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM COc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180075 609462452 /nfs/dbraw/zinc/46/24/52/609462452.db2.gz RCYQBRJRUFTQJR-VQHVLOKHSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180075 609462454 /nfs/dbraw/zinc/46/24/54/609462454.db2.gz RCYQBRJRUFTQJR-VQHVLOKHSA-N -1 3 381.348 2.540 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)c1Cl ZINC000830435458 660656774 /nfs/dbraw/zinc/65/67/74/660656774.db2.gz TZNIHETXSWPZMU-SNVBAGLBSA-N -1 3 394.280 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c(Cl)c1 ZINC000125633410 654800260 /nfs/dbraw/zinc/80/02/60/654800260.db2.gz VPFISDSZYWMDKZ-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000269975104 655029740 /nfs/dbraw/zinc/02/97/40/655029740.db2.gz YMNSALGHJITSBP-VIFPVBQESA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000158078391 655104497 /nfs/dbraw/zinc/10/44/97/655104497.db2.gz YXAKOKREBSDVJZ-UHFFFAOYSA-N -1 3 385.239 2.878 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000109389537 655145981 /nfs/dbraw/zinc/14/59/81/655145981.db2.gz OJNQWOXYKAYULK-GFCCVEGCSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)c(Cl)c1 ZINC000120900950 655346441 /nfs/dbraw/zinc/34/64/41/655346441.db2.gz VQNPFIDEVFOUPV-ZDUSSCGKSA-N -1 3 391.232 2.914 20 5 GFBDHM CSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297950 655714582 /nfs/dbraw/zinc/71/45/82/655714582.db2.gz CTIDKXHDLPPPKD-QMMMGPOBSA-N -1 3 383.289 2.777 20 5 GFBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742331609 655716191 /nfs/dbraw/zinc/71/61/91/655716191.db2.gz YUYLCNXLKJLCNA-WPRPVWTQSA-N -1 3 395.300 2.920 20 5 GFBDHM CCCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000760614474 655988064 /nfs/dbraw/zinc/98/80/64/655988064.db2.gz FGXBPRRBBSIKSL-JTQLQIEISA-N -1 3 378.834 2.567 20 5 GFBDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767636233 656212079 /nfs/dbraw/zinc/21/20/79/656212079.db2.gz DNFFMIVAMLDDIW-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000799830652 659233433 /nfs/dbraw/zinc/23/34/33/659233433.db2.gz SRYDTQHTIOSKMA-CYBMUJFWSA-N -1 3 384.841 2.520 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccn1C ZINC000851856421 661839293 /nfs/dbraw/zinc/83/92/93/661839293.db2.gz QDLMCYZLWLNOSY-SSDOTTSWSA-N -1 3 379.225 2.675 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847446 662581968 /nfs/dbraw/zinc/58/19/68/662581968.db2.gz AEDUUFCMSYZUSX-NXEZZACHSA-N -1 3 380.344 2.779 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000123371840 551306311 /nfs/dbraw/zinc/30/63/11/551306311.db2.gz MWQJODHCTFCOCS-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000152816187 551440427 /nfs/dbraw/zinc/44/04/27/551440427.db2.gz KELPOUNRPZNBAF-UHFFFAOYSA-N -1 3 386.842 2.638 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncccc2F)c(C(F)(F)F)c1 ZINC000156666175 551526708 /nfs/dbraw/zinc/52/67/08/551526708.db2.gz PREGPSZBCXAPPY-UHFFFAOYSA-N -1 3 379.291 2.626 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000167251775 551632717 /nfs/dbraw/zinc/63/27/17/551632717.db2.gz NBHXSKGKMYJAAT-GLQYFDAESA-N -1 3 386.857 2.874 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000187041807 552404718 /nfs/dbraw/zinc/40/47/18/552404718.db2.gz MWFQGIHFAUFTST-UHFFFAOYSA-N -1 3 389.430 2.721 20 5 GFBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000188749999 552454655 /nfs/dbraw/zinc/45/46/55/552454655.db2.gz DGKOLBGERAUJAJ-SNVBAGLBSA-N -1 3 382.360 2.850 20 5 GFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000191787334 552537801 /nfs/dbraw/zinc/53/78/01/552537801.db2.gz CQHSDQINPQTKNF-UHFFFAOYSA-N -1 3 383.813 2.765 20 5 GFBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000420725070 563279737 /nfs/dbraw/zinc/27/97/37/563279737.db2.gz LQXPEKFFVRXQSN-GXSJLCMTSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281216571 563370052 /nfs/dbraw/zinc/37/00/52/563370052.db2.gz QWJDAHOELCRLEC-QMMMGPOBSA-N -1 3 393.252 2.983 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(Br)c1 ZINC000330750692 563519725 /nfs/dbraw/zinc/51/97/25/563519725.db2.gz BBSQXLZLCBUECU-LLVKDONJSA-N -1 3 393.259 2.595 20 5 GFBDHM Cc1ncc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(=O)[n-]1 ZINC000435322890 563647529 /nfs/dbraw/zinc/64/75/29/563647529.db2.gz HUHYWJINPZLWKO-UHFFFAOYSA-N -1 3 396.201 2.791 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000439140200 563718337 /nfs/dbraw/zinc/71/83/37/563718337.db2.gz OBXIXUWYORRHGS-UHFFFAOYSA-N -1 3 384.797 2.913 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077893 563735679 /nfs/dbraw/zinc/73/56/79/563735679.db2.gz KTXFBOJUNPAUMT-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Br)c1 ZINC000292390294 563785074 /nfs/dbraw/zinc/78/50/74/563785074.db2.gz SDXKPMVEMCLFPN-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443147146 563793334 /nfs/dbraw/zinc/79/33/34/563793334.db2.gz VEGVAFNIUDDQTE-NEPJUHHUSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490020 563838099 /nfs/dbraw/zinc/83/80/99/563838099.db2.gz TWZUXYUJQDWHHU-VHSXEESVSA-N -1 3 382.360 2.565 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C2CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000416506564 563840875 /nfs/dbraw/zinc/84/08/75/563840875.db2.gz JCZUYJJUTOMFOI-UHFFFAOYSA-N -1 3 379.232 2.505 20 5 GFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416522872 563842824 /nfs/dbraw/zinc/84/28/24/563842824.db2.gz HEACGQBSOHZHSA-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000416543584 563845757 /nfs/dbraw/zinc/84/57/57/563845757.db2.gz GVCOXJYUOAFFDO-LBPRGKRZSA-N -1 3 382.825 2.703 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416597923 563851275 /nfs/dbraw/zinc/85/12/75/563851275.db2.gz GLMQXWVTPMNNMI-KXUCPTDWSA-N -1 3 382.360 2.705 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000446951112 563871178 /nfs/dbraw/zinc/87/11/78/563871178.db2.gz SLTDNZHPORTVAG-SECBINFHSA-N -1 3 386.227 2.792 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000368682471 563876950 /nfs/dbraw/zinc/87/69/50/563876950.db2.gz JHAVRRXEBBHVIA-INIZCTEOSA-N -1 3 382.463 2.564 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CSc2ccccc21 ZINC000451612476 564331182 /nfs/dbraw/zinc/33/11/82/564331182.db2.gz KOHIFYKMMVRLTH-NSHDSACASA-N -1 3 380.447 2.771 20 5 GFBDHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476620974 564348259 /nfs/dbraw/zinc/34/82/59/564348259.db2.gz XNZWDRRUMSUQOV-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM COc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1NC(C)=O ZINC000567718491 564384392 /nfs/dbraw/zinc/38/43/92/564384392.db2.gz BXHDHBINNJEUFP-UHFFFAOYSA-N -1 3 385.423 2.770 20 5 GFBDHM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000513666421 564435652 /nfs/dbraw/zinc/43/56/52/564435652.db2.gz MKWIVFOSCOJTKY-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000515906864 564489530 /nfs/dbraw/zinc/48/95/30/564489530.db2.gz OCEYHTNCOQIDSE-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000518658882 564559850 /nfs/dbraw/zinc/55/98/50/564559850.db2.gz ZERAGMALEPVPRU-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000490455695 564772399 /nfs/dbraw/zinc/77/23/99/564772399.db2.gz XKSPDMJEZHZAOK-LLVKDONJSA-N -1 3 385.442 2.661 20 5 GFBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000462568331 564848064 /nfs/dbraw/zinc/84/80/64/564848064.db2.gz XXMBDGDEITWKML-TVQRCGJNSA-N -1 3 378.834 2.504 20 5 GFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000462675655 564853455 /nfs/dbraw/zinc/85/34/55/564853455.db2.gz JGQGZPWCWYWEDN-LBPRGKRZSA-N -1 3 376.406 2.523 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000559141453 564923999 /nfs/dbraw/zinc/92/39/99/564923999.db2.gz VHPOHOIGGSMUBK-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572866 565343809 /nfs/dbraw/zinc/34/38/09/565343809.db2.gz MTMDHDZRLYBISV-BONVTDFDSA-N -1 3 385.829 2.698 20 5 GFBDHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594871020 565433784 /nfs/dbraw/zinc/43/37/84/565433784.db2.gz UNETVRIYRWLHTK-UHFFFAOYSA-N -1 3 384.845 2.728 20 5 GFBDHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381391 565471844 /nfs/dbraw/zinc/47/18/44/565471844.db2.gz JNYFQNUYMUZZIP-ABAIWWIYSA-N -1 3 384.841 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000599363828 565672999 /nfs/dbraw/zinc/67/29/99/565672999.db2.gz FUFZCNJPFOBVOX-JTQLQIEISA-N -1 3 382.360 2.709 20 5 GFBDHM O=C([O-])CCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000602064797 565819861 /nfs/dbraw/zinc/81/98/61/565819861.db2.gz IFZBPRXPXQMGKK-UHFFFAOYSA-N -1 3 378.166 2.544 20 5 GFBDHM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000604024654 565921687 /nfs/dbraw/zinc/92/16/87/565921687.db2.gz DZLVIRIZXQNJIC-UHFFFAOYSA-N -1 3 390.845 2.793 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711802 566093630 /nfs/dbraw/zinc/09/36/30/566093630.db2.gz KRDXFXRJHFXXEL-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610891930 566104233 /nfs/dbraw/zinc/10/42/33/566104233.db2.gz DTUQSNYCPXGATA-UHFFFAOYSA-N -1 3 395.165 2.722 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)cn1 ZINC000610955344 566107676 /nfs/dbraw/zinc/10/76/76/566107676.db2.gz WIWLGLGIJBHMOZ-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611342940 566128046 /nfs/dbraw/zinc/12/80/46/566128046.db2.gz IGQATJLUUCNBJC-UHFFFAOYSA-N -1 3 376.406 2.524 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCO1 ZINC000611469376 566131189 /nfs/dbraw/zinc/13/11/89/566131189.db2.gz RAJPQQFVQBFCBT-JOYOIKCWSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778002 599039901 /nfs/dbraw/zinc/03/99/01/599039901.db2.gz UHXGHHHJKUEXIV-GTNSWQLSSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778002 599039904 /nfs/dbraw/zinc/03/99/04/599039904.db2.gz UHXGHHHJKUEXIV-GTNSWQLSSA-N -1 3 384.371 2.880 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821678413 599046951 /nfs/dbraw/zinc/04/69/51/599046951.db2.gz NNEHORKLKMGDTK-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821678413 599046953 /nfs/dbraw/zinc/04/69/53/599046953.db2.gz NNEHORKLKMGDTK-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM Cc1ccnc(-c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)n1 ZINC000737435798 599061229 /nfs/dbraw/zinc/06/12/29/599061229.db2.gz CSZTXYKFUXXOCD-UHFFFAOYSA-N -1 3 375.352 2.679 20 5 GFBDHM Cc1ccnc(-c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)n1 ZINC000737435798 599061232 /nfs/dbraw/zinc/06/12/32/599061232.db2.gz CSZTXYKFUXXOCD-UHFFFAOYSA-N -1 3 375.352 2.679 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000823629620 599063072 /nfs/dbraw/zinc/06/30/72/599063072.db2.gz CAQXDNHGCHANAS-OAHLLOKOSA-N -1 3 380.408 2.818 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000823629620 599063073 /nfs/dbraw/zinc/06/30/73/599063073.db2.gz CAQXDNHGCHANAS-OAHLLOKOSA-N -1 3 380.408 2.818 20 5 GFBDHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000736739583 599172764 /nfs/dbraw/zinc/17/27/64/599172764.db2.gz ROMJFFVRONECMW-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000736739583 599172766 /nfs/dbraw/zinc/17/27/66/599172766.db2.gz ROMJFFVRONECMW-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000823629989 607331279 /nfs/dbraw/zinc/33/12/79/607331279.db2.gz OWIWECLYHYRNHK-GFCCVEGCSA-N -1 3 376.442 2.632 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000823629989 607331280 /nfs/dbraw/zinc/33/12/80/607331280.db2.gz OWIWECLYHYRNHK-GFCCVEGCSA-N -1 3 376.442 2.632 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000736635783 598366589 /nfs/dbraw/zinc/36/65/89/598366589.db2.gz ZCLLUGPNYOSVCD-UHFFFAOYSA-N -1 3 393.363 2.907 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000736635783 598366590 /nfs/dbraw/zinc/36/65/90/598366590.db2.gz ZCLLUGPNYOSVCD-UHFFFAOYSA-N -1 3 393.363 2.907 20 5 GFBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000736894322 598387687 /nfs/dbraw/zinc/38/76/87/598387687.db2.gz URZITYHZQIPSRQ-CQSZACIVSA-N -1 3 396.407 2.527 20 5 GFBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000736894322 598387689 /nfs/dbraw/zinc/38/76/89/598387689.db2.gz URZITYHZQIPSRQ-CQSZACIVSA-N -1 3 396.407 2.527 20 5 GFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738145516 598576709 /nfs/dbraw/zinc/57/67/09/598576709.db2.gz SHEBRQSMYYVDOI-INIZCTEOSA-N -1 3 397.370 2.522 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737023435 598617374 /nfs/dbraw/zinc/61/73/74/598617374.db2.gz FSXDHWROGBGOCX-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737023435 598617375 /nfs/dbraw/zinc/61/73/75/598617375.db2.gz FSXDHWROGBGOCX-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300200 598735633 /nfs/dbraw/zinc/73/56/33/598735633.db2.gz VQNVCRZGMKIRKP-OJIASSBASA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300200 598735634 /nfs/dbraw/zinc/73/56/34/598735634.db2.gz VQNVCRZGMKIRKP-OJIASSBASA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@H](c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000736200085 598796661 /nfs/dbraw/zinc/79/66/61/598796661.db2.gz RMDRJRBBMHBFNZ-CYBMUJFWSA-N -1 3 395.423 2.912 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCSCc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000823651754 599303142 /nfs/dbraw/zinc/30/31/42/599303142.db2.gz OWALIKCXIDXIDO-UHFFFAOYSA-N -1 3 375.389 2.654 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCSCc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000823651754 599303144 /nfs/dbraw/zinc/30/31/44/599303144.db2.gz OWALIKCXIDXIDO-UHFFFAOYSA-N -1 3 375.389 2.654 20 5 GFBDHM C[C@@H](SCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736187796 599329854 /nfs/dbraw/zinc/32/98/54/599329854.db2.gz BYXUZBYWYWASQL-SNVBAGLBSA-N -1 3 384.421 2.868 20 5 GFBDHM C[C@@H](SCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736187796 599329855 /nfs/dbraw/zinc/32/98/55/599329855.db2.gz BYXUZBYWYWASQL-SNVBAGLBSA-N -1 3 384.421 2.868 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820351608 599422181 /nfs/dbraw/zinc/42/21/81/599422181.db2.gz QAEZLMRIKGUMCW-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820351608 599422185 /nfs/dbraw/zinc/42/21/85/599422185.db2.gz QAEZLMRIKGUMCW-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820385148 599499376 /nfs/dbraw/zinc/49/93/76/599499376.db2.gz PSNOKCRLKQCFMC-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820385148 599499378 /nfs/dbraw/zinc/49/93/78/599499378.db2.gz PSNOKCRLKQCFMC-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000823647138 599501976 /nfs/dbraw/zinc/50/19/76/599501976.db2.gz GVWQLJBYRVHGMB-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000823647138 599501979 /nfs/dbraw/zinc/50/19/79/599501979.db2.gz GVWQLJBYRVHGMB-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM C[C@H]1COCCN1c1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736294524 599535383 /nfs/dbraw/zinc/53/53/83/599535383.db2.gz VGDHSDKNABHAHS-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@H]1COCCN1c1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736294524 599535386 /nfs/dbraw/zinc/53/53/86/599535386.db2.gz VGDHSDKNABHAHS-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccccc4CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643836 599560655 /nfs/dbraw/zinc/56/06/55/599560655.db2.gz CMOGLAAUWQULJL-UHFFFAOYSA-N -1 3 387.403 2.928 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccccc4CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643836 599560657 /nfs/dbraw/zinc/56/06/57/599560657.db2.gz CMOGLAAUWQULJL-UHFFFAOYSA-N -1 3 387.403 2.928 20 5 GFBDHM O=C1CCCN1C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530756 599578232 /nfs/dbraw/zinc/57/82/32/599578232.db2.gz QVHBWQLOFHQESP-MRXNPFEDSA-N -1 3 393.407 2.551 20 5 GFBDHM O=C1CCCN1C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530756 599578234 /nfs/dbraw/zinc/57/82/34/599578234.db2.gz QVHBWQLOFHQESP-MRXNPFEDSA-N -1 3 393.407 2.551 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822270994 599667321 /nfs/dbraw/zinc/66/73/21/599667321.db2.gz HHZLTFKXVOWRJL-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000821745149 607411142 /nfs/dbraw/zinc/41/11/42/607411142.db2.gz HDRDFHBPGVVYIW-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000821745149 607411143 /nfs/dbraw/zinc/41/11/43/607411143.db2.gz HDRDFHBPGVVYIW-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM Cc1c(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826243147 607592238 /nfs/dbraw/zinc/59/22/38/607592238.db2.gz WPRRNEDBOJFSFN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826441273 607622741 /nfs/dbraw/zinc/62/27/41/607622741.db2.gz WWNOPDVURSVGQD-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826441273 607622743 /nfs/dbraw/zinc/62/27/43/607622743.db2.gz WWNOPDVURSVGQD-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820562982 606143547 /nfs/dbraw/zinc/14/35/47/606143547.db2.gz KVUWGIPMXYSZEW-RNUGCUGFSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820562982 606143549 /nfs/dbraw/zinc/14/35/49/606143549.db2.gz KVUWGIPMXYSZEW-RNUGCUGFSA-N -1 3 386.437 2.710 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823651477 606201006 /nfs/dbraw/zinc/20/10/06/606201006.db2.gz LJFZEIPSQBUTCP-NSHDSACASA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823651477 606201008 /nfs/dbraw/zinc/20/10/08/606201008.db2.gz LJFZEIPSQBUTCP-NSHDSACASA-N -1 3 386.803 2.514 20 5 GFBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623061 606242668 /nfs/dbraw/zinc/24/26/68/606242668.db2.gz DGXGCEUIYNJSBT-MAUKXSAKSA-N -1 3 383.412 2.676 20 5 GFBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623061 606242669 /nfs/dbraw/zinc/24/26/69/606242669.db2.gz DGXGCEUIYNJSBT-MAUKXSAKSA-N -1 3 383.412 2.676 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228599 606543210 /nfs/dbraw/zinc/54/32/10/606543210.db2.gz ACNWYTRRDQEJBW-QWHCGFSZSA-N -1 3 396.407 2.728 20 5 GFBDHM O=C1CCCN1Cc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000823531107 606646066 /nfs/dbraw/zinc/64/60/66/606646066.db2.gz YRZMVWWFFFQXLW-UHFFFAOYSA-N -1 3 393.407 2.509 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820462330 606728694 /nfs/dbraw/zinc/72/86/94/606728694.db2.gz XTBAYCRDYSQHNY-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820462330 606728696 /nfs/dbraw/zinc/72/86/96/606728696.db2.gz XTBAYCRDYSQHNY-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM Cc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822227431 606942498 /nfs/dbraw/zinc/94/24/98/606942498.db2.gz IKPWIMJEXNKKDC-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822227431 606942499 /nfs/dbraw/zinc/94/24/99/606942499.db2.gz IKPWIMJEXNKKDC-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM CN(Cc1cc(Br)cn1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821607653 606950462 /nfs/dbraw/zinc/95/04/62/606950462.db2.gz YFALJBUJPRQKEL-UHFFFAOYSA-N -1 3 392.217 2.512 20 5 GFBDHM CN(Cc1cc(Br)cn1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821607653 606950463 /nfs/dbraw/zinc/95/04/63/606950463.db2.gz YFALJBUJPRQKEL-UHFFFAOYSA-N -1 3 392.217 2.512 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823421921 606990969 /nfs/dbraw/zinc/99/09/69/606990969.db2.gz KBSSURJFYNZPBA-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823421921 606990971 /nfs/dbraw/zinc/99/09/71/606990971.db2.gz KBSSURJFYNZPBA-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCS[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821446673 607043204 /nfs/dbraw/zinc/04/32/04/607043204.db2.gz CGRFIETVSQZQHL-VIFPVBQESA-N -1 3 390.429 2.608 20 5 GFBDHM CCS[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821446673 607043207 /nfs/dbraw/zinc/04/32/07/607043207.db2.gz CGRFIETVSQZQHL-VIFPVBQESA-N -1 3 390.429 2.608 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821983460 607075178 /nfs/dbraw/zinc/07/51/78/607075178.db2.gz HXWLPMNQSDYXNI-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821983460 607075179 /nfs/dbraw/zinc/07/51/79/607075179.db2.gz HXWLPMNQSDYXNI-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823413100 607083386 /nfs/dbraw/zinc/08/33/86/607083386.db2.gz ACXLAZKXWHZZBR-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823413100 607083388 /nfs/dbraw/zinc/08/33/88/607083388.db2.gz ACXLAZKXWHZZBR-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822271444 607165053 /nfs/dbraw/zinc/16/50/53/607165053.db2.gz ZWSWYTKYNPSUDT-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822271444 607165054 /nfs/dbraw/zinc/16/50/54/607165054.db2.gz ZWSWYTKYNPSUDT-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824477950 607969287 /nfs/dbraw/zinc/96/92/87/607969287.db2.gz DKBKUCISCBJAGP-NSHDSACASA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824477950 607969288 /nfs/dbraw/zinc/96/92/88/607969288.db2.gz DKBKUCISCBJAGP-NSHDSACASA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824477948 607969487 /nfs/dbraw/zinc/96/94/87/607969487.db2.gz DKBKUCISCBJAGP-LLVKDONJSA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824477948 607969488 /nfs/dbraw/zinc/96/94/88/607969488.db2.gz DKBKUCISCBJAGP-LLVKDONJSA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824936323 608162664 /nfs/dbraw/zinc/16/26/64/608162664.db2.gz GESMMISCKYISSJ-NOZJJQNGSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824936323 608162665 /nfs/dbraw/zinc/16/26/65/608162665.db2.gz GESMMISCKYISSJ-NOZJJQNGSA-N -1 3 394.819 2.962 20 5 GFBDHM Cc1cncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319286 608163519 /nfs/dbraw/zinc/16/35/19/608163519.db2.gz WONVARZTLJBRDT-IHWYPQMZSA-N -1 3 385.771 2.784 20 5 GFBDHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319286 608163520 /nfs/dbraw/zinc/16/35/20/608163520.db2.gz WONVARZTLJBRDT-IHWYPQMZSA-N -1 3 385.771 2.784 20 5 GFBDHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC000826204568 608276580 /nfs/dbraw/zinc/27/65/80/608276580.db2.gz QGFXVWPHNMHTES-UHFFFAOYSA-N -1 3 381.396 2.669 20 5 GFBDHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1[N+](=O)[O-] ZINC000826204568 608276581 /nfs/dbraw/zinc/27/65/81/608276581.db2.gz QGFXVWPHNMHTES-UHFFFAOYSA-N -1 3 381.396 2.669 20 5 GFBDHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634246 608469265 /nfs/dbraw/zinc/46/92/65/608469265.db2.gz UIFGYGHPNXHYHT-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634246 608469267 /nfs/dbraw/zinc/46/92/67/608469267.db2.gz UIFGYGHPNXHYHT-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1ccnc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000826312328 608556555 /nfs/dbraw/zinc/55/65/55/608556555.db2.gz BJSCCDJQCIEJFQ-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1ccnc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000826312328 608556557 /nfs/dbraw/zinc/55/65/57/608556557.db2.gz BJSCCDJQCIEJFQ-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM CC(C)[C@H](O)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824199367 608586115 /nfs/dbraw/zinc/58/61/15/608586115.db2.gz IQZIDRUVOCESPU-INIZCTEOSA-N -1 3 383.412 2.532 20 5 GFBDHM CC(C)[C@H](O)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824199367 608586117 /nfs/dbraw/zinc/58/61/17/608586117.db2.gz IQZIDRUVOCESPU-INIZCTEOSA-N -1 3 383.412 2.532 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCSCc2ccnc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000826500566 609489156 /nfs/dbraw/zinc/48/91/56/609489156.db2.gz CBLYKQKTTDJMOY-UHFFFAOYSA-N -1 3 392.832 2.564 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCSCc2ccnc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000826500566 609489159 /nfs/dbraw/zinc/48/91/59/609489159.db2.gz CBLYKQKTTDJMOY-UHFFFAOYSA-N -1 3 392.832 2.564 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000826185353 609499464 /nfs/dbraw/zinc/49/94/64/609499464.db2.gz HRPDRRZNZXTXEG-PKNBQFBNSA-N -1 3 380.364 2.826 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000826185353 609499466 /nfs/dbraw/zinc/49/94/66/609499466.db2.gz HRPDRRZNZXTXEG-PKNBQFBNSA-N -1 3 380.364 2.826 20 5 GFBDHM COc1ccc(CNC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826196488 609510066 /nfs/dbraw/zinc/51/00/66/609510066.db2.gz DQRFJZXWCXVNGA-FMIVXFBMSA-N -1 3 394.391 2.503 20 5 GFBDHM COc1ccc(CNC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826196488 609510067 /nfs/dbraw/zinc/51/00/67/609510067.db2.gz DQRFJZXWCXVNGA-FMIVXFBMSA-N -1 3 394.391 2.503 20 5 GFBDHM Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260293 609512984 /nfs/dbraw/zinc/51/29/84/609512984.db2.gz GROXBTMLRWPRNN-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260293 609512986 /nfs/dbraw/zinc/51/29/86/609512986.db2.gz GROXBTMLRWPRNN-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)N(C)C1CC1 ZINC000830371380 660650732 /nfs/dbraw/zinc/65/07/32/660650732.db2.gz APNMDUDGNNVKOH-MRVPVSSYSA-N -1 3 382.269 2.663 20 5 GFBDHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000121900817 654725051 /nfs/dbraw/zinc/72/50/51/654725051.db2.gz PMBKYJPZFGALIR-OAHLLOKOSA-N -1 3 388.829 2.644 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000152269907 655057578 /nfs/dbraw/zinc/05/75/78/655057578.db2.gz SRAQGYVUJTXGFQ-SECBINFHSA-N -1 3 381.273 2.531 20 5 GFBDHM COCc1nsc([N-]C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000273146759 655132132 /nfs/dbraw/zinc/13/21/32/655132132.db2.gz WTELGEUXNFOVTG-UHFFFAOYSA-N -1 3 387.215 2.916 20 5 GFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000108404844 655132297 /nfs/dbraw/zinc/13/22/97/655132297.db2.gz XQLNLCSQMAIIPQ-UHFFFAOYSA-N -1 3 375.859 2.843 20 5 GFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(COC)ns1 ZINC000273161487 655133128 /nfs/dbraw/zinc/13/31/28/655133128.db2.gz ZYNBKRANMCNCDW-UHFFFAOYSA-N -1 3 384.439 2.584 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000171074529 655148300 /nfs/dbraw/zinc/14/83/00/655148300.db2.gz KLMZKIZMYWCQSE-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1 ZINC000273622917 655151124 /nfs/dbraw/zinc/15/11/24/655151124.db2.gz RAQMVJZDKVICNW-ZETCQYMHSA-N -1 3 376.847 2.756 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175649271 655224989 /nfs/dbraw/zinc/22/49/89/655224989.db2.gz IIYPMWFMUIHBEJ-MRTUKWCHSA-N -1 3 394.902 2.606 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccsc3)CC2)s1 ZINC000115586492 655239635 /nfs/dbraw/zinc/23/96/35/655239635.db2.gz DOEFJCCJSOLMJF-UHFFFAOYSA-N -1 3 387.508 2.661 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119321184 655298733 /nfs/dbraw/zinc/29/87/33/655298733.db2.gz BERUXCIJGZCYDU-VFZGTOFNSA-N -1 3 388.804 2.788 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762521189 656045675 /nfs/dbraw/zinc/04/56/75/656045675.db2.gz CMSOTNLEZKFZSL-XWIASGKRSA-N -1 3 394.927 2.906 20 5 GFBDHM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796010013 658879991 /nfs/dbraw/zinc/87/99/91/658879991.db2.gz FKHPBUJFTUYOMY-OAHLLOKOSA-N -1 3 384.841 2.823 20 5 GFBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227608 659086555 /nfs/dbraw/zinc/08/65/55/659086555.db2.gz VRRBIGPAPUHILJ-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000805142488 659750021 /nfs/dbraw/zinc/75/00/21/659750021.db2.gz UCTOIBDFNUETFN-LLVKDONJSA-N -1 3 379.341 2.586 20 5 GFBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825601 659944268 /nfs/dbraw/zinc/94/42/68/659944268.db2.gz JNRBSPGZICIXQJ-QPUJVOFHSA-N -1 3 394.280 2.663 20 5 GFBDHM COCC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000872547188 662776372 /nfs/dbraw/zinc/77/63/72/662776372.db2.gz UHOKICABYXKFOF-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C[C@@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000125516792 551321828 /nfs/dbraw/zinc/32/18/28/551321828.db2.gz CLYXRAWUCCUCHU-RISCZKNCSA-N -1 3 384.479 2.798 20 5 GFBDHM COc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000128725035 551351555 /nfs/dbraw/zinc/35/15/55/551351555.db2.gz XNWXEIMFOSHBKC-UHFFFAOYSA-N -1 3 391.858 2.709 20 5 GFBDHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000146983995 551397876 /nfs/dbraw/zinc/39/78/76/551397876.db2.gz XYMAGEJGIJQIBK-UHFFFAOYSA-N -1 3 383.857 2.659 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2Br)c(F)c1 ZINC000147735311 551398178 /nfs/dbraw/zinc/39/81/78/551398178.db2.gz LFEYEGHAEDUKTG-UHFFFAOYSA-N -1 3 376.163 2.692 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000174031454 552097439 /nfs/dbraw/zinc/09/74/39/552097439.db2.gz QUNINNODSZBAFK-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1 ZINC000261420071 553153335 /nfs/dbraw/zinc/15/33/35/553153335.db2.gz ZQQKZUJRDIELKM-NSHDSACASA-N -1 3 397.250 2.976 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000420743924 563282100 /nfs/dbraw/zinc/28/21/00/563282100.db2.gz WZIVVOWJWJHFKF-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000443316401 563800608 /nfs/dbraw/zinc/80/06/08/563800608.db2.gz PCOONKVHHURGAC-CYBMUJFWSA-N -1 3 376.862 2.858 20 5 GFBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455214 563830971 /nfs/dbraw/zinc/83/09/71/563830971.db2.gz KDIPOEGOOQNNTP-BXKDBHETSA-N -1 3 382.360 2.707 20 5 GFBDHM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444995466 563841272 /nfs/dbraw/zinc/84/12/72/563841272.db2.gz HLCDXUKJJPLTJS-UHFFFAOYSA-N -1 3 378.142 2.587 20 5 GFBDHM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444995466 563841275 /nfs/dbraw/zinc/84/12/75/563841275.db2.gz HLCDXUKJJPLTJS-UHFFFAOYSA-N -1 3 378.142 2.587 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)C(C)C ZINC000416630542 563855724 /nfs/dbraw/zinc/85/57/24/563855724.db2.gz UHODYLYBKYYJRF-YPMHNXCESA-N -1 3 384.376 2.687 20 5 GFBDHM Cc1nccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1Br ZINC000563469358 564192033 /nfs/dbraw/zinc/19/20/33/564192033.db2.gz OFCIAQQJQUQDMS-UHFFFAOYSA-N -1 3 376.170 2.611 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472700482 564230549 /nfs/dbraw/zinc/23/05/49/564230549.db2.gz QQKAOUTXVTUGGT-NSHDSACASA-N -1 3 396.368 2.687 20 5 GFBDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000916 564379180 /nfs/dbraw/zinc/37/91/80/564379180.db2.gz XGKRXEKPRXEQIY-SDBXPKJASA-N -1 3 382.360 2.705 20 5 GFBDHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000480195235 564463381 /nfs/dbraw/zinc/46/33/81/564463381.db2.gz BQKZDEGSBNSQEE-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481928924 564527750 /nfs/dbraw/zinc/52/77/50/564527750.db2.gz TTWCTWFUSOZWTC-UHFFFAOYSA-N -1 3 375.332 2.774 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481928924 564527753 /nfs/dbraw/zinc/52/77/53/564527753.db2.gz TTWCTWFUSOZWTC-UHFFFAOYSA-N -1 3 375.332 2.774 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481928924 564527756 /nfs/dbraw/zinc/52/77/56/564527756.db2.gz TTWCTWFUSOZWTC-UHFFFAOYSA-N -1 3 375.332 2.774 20 5 GFBDHM Cc1c(Br)cc(C(=O)[N-]c2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000457132636 564649553 /nfs/dbraw/zinc/64/95/53/564649553.db2.gz AMMDPTHJFNJUHL-UHFFFAOYSA-N -1 3 380.202 2.846 20 5 GFBDHM Cc1ncc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000487352332 564684660 /nfs/dbraw/zinc/68/46/60/564684660.db2.gz JXGJCMKGHGOCSV-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000553263595 564714352 /nfs/dbraw/zinc/71/43/52/564714352.db2.gz UDSIBQDBPLPHIK-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000490452099 564772512 /nfs/dbraw/zinc/77/25/12/564772512.db2.gz IQUVWJWIJFLASP-UHFFFAOYSA-N -1 3 379.316 2.815 20 5 GFBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921788 564777404 /nfs/dbraw/zinc/77/74/04/564777404.db2.gz APLKICXFMIORSK-LBPRGKRZSA-N -1 3 389.886 2.891 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C2(C)CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493891615 564811647 /nfs/dbraw/zinc/81/16/47/564811647.db2.gz OLIHFPJDQRMUSP-UHFFFAOYSA-N -1 3 393.259 2.895 20 5 GFBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000494352607 564826692 /nfs/dbraw/zinc/82/66/92/564826692.db2.gz VHFUXZDVINDZRN-NSHDSACASA-N -1 3 393.259 2.593 20 5 GFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113487 564946189 /nfs/dbraw/zinc/94/61/89/564946189.db2.gz VKSBTTFNWYFQPV-ZDUSSCGKSA-N -1 3 375.878 2.791 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000466898716 564950085 /nfs/dbraw/zinc/95/00/85/564950085.db2.gz AOSRWVHNFZGITD-GFCCVEGCSA-N -1 3 395.275 2.697 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)cn1 ZINC000533009619 564952211 /nfs/dbraw/zinc/95/22/11/564952211.db2.gz PMSNPJWTIJSGTK-UHFFFAOYSA-N -1 3 375.328 2.848 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCS1 ZINC000467775583 564972779 /nfs/dbraw/zinc/97/27/79/564972779.db2.gz NFAKVKWYDLSDOK-LBPRGKRZSA-N -1 3 395.300 2.921 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000469266681 565011641 /nfs/dbraw/zinc/01/16/41/565011641.db2.gz YJJBGXHDORHJDF-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614172 565050412 /nfs/dbraw/zinc/05/04/12/565050412.db2.gz TWLOJQDNYRIAQT-XQQFMLRXSA-N -1 3 389.905 2.893 20 5 GFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000584497703 565084307 /nfs/dbraw/zinc/08/43/07/565084307.db2.gz HMBXYNQDLYLERS-AWEZNQCLSA-N -1 3 388.442 2.834 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000586774623 565115527 /nfs/dbraw/zinc/11/55/27/565115527.db2.gz XLUDUMQUJXOBHE-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326603 565223425 /nfs/dbraw/zinc/22/34/25/565223425.db2.gz VYFFUTKNPTYHOP-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594477276 565393760 /nfs/dbraw/zinc/39/37/60/565393760.db2.gz LEPMVBRKCOWTRQ-VIFPVBQESA-N -1 3 378.834 2.504 20 5 GFBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000596209534 565515153 /nfs/dbraw/zinc/51/51/53/565515153.db2.gz HCLXQGPENOKAPK-LLVKDONJSA-N -1 3 382.214 2.721 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623283 565630479 /nfs/dbraw/zinc/63/04/79/565630479.db2.gz VPXFKLIAKUYHIO-QMMMGPOBSA-N -1 3 399.213 2.989 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Br)c1 ZINC000598622563 565630682 /nfs/dbraw/zinc/63/06/82/565630682.db2.gz PPXVLPJPQQDUAE-SSDOTTSWSA-N -1 3 385.186 2.681 20 5 GFBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263217 566073808 /nfs/dbraw/zinc/07/38/08/566073808.db2.gz AWTRJLBNMJJKDJ-SECBINFHSA-N -1 3 382.269 2.522 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000613471495 566198817 /nfs/dbraw/zinc/19/88/17/566198817.db2.gz LKUPSUFKAROSGR-UHFFFAOYSA-N -1 3 381.479 2.696 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738054652 598888812 /nfs/dbraw/zinc/88/88/12/598888812.db2.gz RCQWEJFUYCLSFS-UHFFFAOYSA-N -1 3 381.396 2.919 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738054652 598888813 /nfs/dbraw/zinc/88/88/13/598888813.db2.gz RCQWEJFUYCLSFS-UHFFFAOYSA-N -1 3 381.396 2.919 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000820583068 599041286 /nfs/dbraw/zinc/04/12/86/599041286.db2.gz BBNYRIJCBRHLFV-JECHBYEQSA-N -1 3 395.423 2.939 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000820583068 599041289 /nfs/dbraw/zinc/04/12/89/599041289.db2.gz BBNYRIJCBRHLFV-JECHBYEQSA-N -1 3 395.423 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000823640192 599049532 /nfs/dbraw/zinc/04/95/32/599049532.db2.gz WWRKQQKQODFQQW-UHFFFAOYSA-N -1 3 392.322 2.867 20 5 GFBDHM CCOC(=O)c1ccnc(Sc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000821343829 599056938 /nfs/dbraw/zinc/05/69/38/599056938.db2.gz VIBVDIDGRQBJFP-UHFFFAOYSA-N -1 3 390.356 2.637 20 5 GFBDHM CCOC(=O)c1ccnc(Sc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000821343829 599056940 /nfs/dbraw/zinc/05/69/40/599056940.db2.gz VIBVDIDGRQBJFP-UHFFFAOYSA-N -1 3 390.356 2.637 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000738366646 599165856 /nfs/dbraw/zinc/16/58/56/599165856.db2.gz GSEWNVVUNGDGRS-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000738366646 599165859 /nfs/dbraw/zinc/16/58/59/599165859.db2.gz GSEWNVVUNGDGRS-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821581632 599247140 /nfs/dbraw/zinc/24/71/40/599247140.db2.gz QVDMERCTCQUNBU-CQSZACIVSA-N -1 3 388.819 2.538 20 5 GFBDHM CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821581632 599247141 /nfs/dbraw/zinc/24/71/41/599247141.db2.gz QVDMERCTCQUNBU-CQSZACIVSA-N -1 3 388.819 2.538 20 5 GFBDHM CCN(Cc1ccc(OC)c(OC)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821220504 607305481 /nfs/dbraw/zinc/30/54/81/607305481.db2.gz AUPBZEPRQXNFMJ-UHFFFAOYSA-N -1 3 384.396 2.819 20 5 GFBDHM CCN(Cc1ccc(OC)c(OC)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821220504 607305482 /nfs/dbraw/zinc/30/54/82/607305482.db2.gz AUPBZEPRQXNFMJ-UHFFFAOYSA-N -1 3 384.396 2.819 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3Cc4ccccc4O3)cc(-c3nnn[n-]3)c2c1 ZINC000738366960 599271504 /nfs/dbraw/zinc/27/15/04/599271504.db2.gz LHOIPGSYVBGBTK-CYBMUJFWSA-N -1 3 389.375 2.739 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3Cc4ccccc4O3)cc(-c3nn[n-]n3)c2c1 ZINC000738366960 599271505 /nfs/dbraw/zinc/27/15/05/599271505.db2.gz LHOIPGSYVBGBTK-CYBMUJFWSA-N -1 3 389.375 2.739 20 5 GFBDHM Cc1nn(-c2ccccc2)c(COc2cc(F)cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822486248 607327605 /nfs/dbraw/zinc/32/76/05/607327605.db2.gz CXWDPRRGYUUXCW-UHFFFAOYSA-N -1 3 395.354 2.987 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000738357627 598458252 /nfs/dbraw/zinc/45/82/52/598458252.db2.gz GSPCIKGWSBUPCQ-INIZCTEOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000738357627 598458254 /nfs/dbraw/zinc/45/82/54/598458254.db2.gz GSPCIKGWSBUPCQ-INIZCTEOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCc3cccnc3)c2)c(-c2nnn[n-]2)c1 ZINC000738373886 598500248 /nfs/dbraw/zinc/50/02/48/598500248.db2.gz JKYHOSWUDXOEBM-UHFFFAOYSA-N -1 3 390.363 2.888 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCc3cccnc3)c2)c(-c2nn[n-]n2)c1 ZINC000738373886 598500249 /nfs/dbraw/zinc/50/02/49/598500249.db2.gz JKYHOSWUDXOEBM-UHFFFAOYSA-N -1 3 390.363 2.888 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351607 599421914 /nfs/dbraw/zinc/42/19/14/599421914.db2.gz QAEZLMRIKGUMCW-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351607 599421916 /nfs/dbraw/zinc/42/19/16/599421916.db2.gz QAEZLMRIKGUMCW-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397200 599516460 /nfs/dbraw/zinc/51/64/60/599516460.db2.gz MTGPWKQRSSINNM-NSHDSACASA-N -1 3 393.407 2.840 20 5 GFBDHM C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397200 599516462 /nfs/dbraw/zinc/51/64/62/599516462.db2.gz MTGPWKQRSSINNM-NSHDSACASA-N -1 3 393.407 2.840 20 5 GFBDHM C[C@@H]1COCCN1c1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736294523 599535102 /nfs/dbraw/zinc/53/51/02/599535102.db2.gz VGDHSDKNABHAHS-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@@H]1COCCN1c1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736294523 599535103 /nfs/dbraw/zinc/53/51/03/599535103.db2.gz VGDHSDKNABHAHS-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCO[C@@H]21 ZINC000820584889 599570982 /nfs/dbraw/zinc/57/09/82/599570982.db2.gz KWGKQOGLGJWMDC-JQAFLVLXSA-N -1 3 381.396 2.549 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCO[C@@H]21 ZINC000820584889 599570984 /nfs/dbraw/zinc/57/09/84/599570984.db2.gz KWGKQOGLGJWMDC-JQAFLVLXSA-N -1 3 381.396 2.549 20 5 GFBDHM COc1ccc(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000821790472 599591523 /nfs/dbraw/zinc/59/15/23/599591523.db2.gz OGLCNGVTKLUJLP-CQSZACIVSA-N -1 3 395.423 2.638 20 5 GFBDHM COc1ccc(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000821790472 599591525 /nfs/dbraw/zinc/59/15/25/599591525.db2.gz OGLCNGVTKLUJLP-CQSZACIVSA-N -1 3 395.423 2.638 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823112204 599633172 /nfs/dbraw/zinc/63/31/72/599633172.db2.gz UNCNPNAOOGPMRU-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823112204 599633173 /nfs/dbraw/zinc/63/31/73/599633173.db2.gz UNCNPNAOOGPMRU-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000826253859 607406715 /nfs/dbraw/zinc/40/67/15/607406715.db2.gz IDUVBIYZMKGUGU-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000826253859 607406717 /nfs/dbraw/zinc/40/67/17/607406717.db2.gz IDUVBIYZMKGUGU-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820169617 607423952 /nfs/dbraw/zinc/42/39/52/607423952.db2.gz KRHVJAWWZQNZFG-UHFFFAOYSA-N -1 3 397.395 2.884 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820169617 607423954 /nfs/dbraw/zinc/42/39/54/607423954.db2.gz KRHVJAWWZQNZFG-UHFFFAOYSA-N -1 3 397.395 2.884 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826246245 607431917 /nfs/dbraw/zinc/43/19/17/607431917.db2.gz XVFHHCZPPWXAQR-GOSISDBHSA-N -1 3 396.432 2.971 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826246245 607431919 /nfs/dbraw/zinc/43/19/19/607431919.db2.gz XVFHHCZPPWXAQR-GOSISDBHSA-N -1 3 396.432 2.971 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823065827 607466689 /nfs/dbraw/zinc/46/66/89/607466689.db2.gz CFBDJQNTCBFCPK-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823065827 607466691 /nfs/dbraw/zinc/46/66/91/607466691.db2.gz CFBDJQNTCBFCPK-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM COc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395031 601202203 /nfs/dbraw/zinc/20/22/03/601202203.db2.gz ZHWDVVMBAXLQIO-KPZWWZAWSA-N -1 3 387.392 2.594 20 5 GFBDHM O=C(Cc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423064 607523319 /nfs/dbraw/zinc/52/33/19/607523319.db2.gz XGTXWWUBMKMUDH-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C(Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423064 607523321 /nfs/dbraw/zinc/52/33/21/607523321.db2.gz XGTXWWUBMKMUDH-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@H]21 ZINC000834179230 605328967 /nfs/dbraw/zinc/32/89/67/605328967.db2.gz GWDNSLNHBFBWFO-BMGDILEWSA-N -1 3 385.424 2.784 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1cccc(Cl)c1 ZINC000823511954 606106225 /nfs/dbraw/zinc/10/62/25/606106225.db2.gz JNNDSBDJHNYSCI-OAHLLOKOSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1cccc(Cl)c1 ZINC000823511954 606106226 /nfs/dbraw/zinc/10/62/26/606106226.db2.gz JNNDSBDJHNYSCI-OAHLLOKOSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823421669 606151168 /nfs/dbraw/zinc/15/11/68/606151168.db2.gz GGIYMLZDHTZJQS-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823421669 606151170 /nfs/dbraw/zinc/15/11/70/606151170.db2.gz GGIYMLZDHTZJQS-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823368501 606183686 /nfs/dbraw/zinc/18/36/86/606183686.db2.gz YWXBPIWLZSMMFT-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823368501 606183687 /nfs/dbraw/zinc/18/36/87/606183687.db2.gz YWXBPIWLZSMMFT-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640515 606416690 /nfs/dbraw/zinc/41/66/90/606416690.db2.gz JVUVRIYPMYGBCM-YVEFUNNKSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640515 606416692 /nfs/dbraw/zinc/41/66/92/606416692.db2.gz JVUVRIYPMYGBCM-YVEFUNNKSA-N -1 3 396.407 2.648 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821728061 606590793 /nfs/dbraw/zinc/59/07/93/606590793.db2.gz RGSWQKGSWYPNNJ-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821728061 606590795 /nfs/dbraw/zinc/59/07/95/606590795.db2.gz RGSWQKGSWYPNNJ-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM CCC(CC)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820893510 606645446 /nfs/dbraw/zinc/64/54/46/606645446.db2.gz PMTPRWMPIYYLDS-UHFFFAOYSA-N -1 3 387.444 2.614 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000819976165 606673433 /nfs/dbraw/zinc/67/34/33/606673433.db2.gz PBCRNMNGWWGSDO-UHFFFAOYSA-N -1 3 383.412 2.903 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000819976165 606673434 /nfs/dbraw/zinc/67/34/34/606673434.db2.gz PBCRNMNGWWGSDO-UHFFFAOYSA-N -1 3 383.412 2.903 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000822224164 606738572 /nfs/dbraw/zinc/73/85/72/606738572.db2.gz YIXWMUUKEZIRBQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000822224164 606738574 /nfs/dbraw/zinc/73/85/74/606738574.db2.gz YIXWMUUKEZIRBQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(OCCOc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821845172 606784910 /nfs/dbraw/zinc/78/49/10/606784910.db2.gz CANZKPQOOKACJP-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1ccc(OCCOc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821845172 606784911 /nfs/dbraw/zinc/78/49/11/606784911.db2.gz CANZKPQOOKACJP-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822331339 606943396 /nfs/dbraw/zinc/94/33/96/606943396.db2.gz FFFUMAHPLWTRAI-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822331339 606943399 /nfs/dbraw/zinc/94/33/99/606943399.db2.gz FFFUMAHPLWTRAI-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000821702422 606984091 /nfs/dbraw/zinc/98/40/91/606984091.db2.gz SLIXBLQPAOKVQI-UHFFFAOYSA-N -1 3 395.379 2.521 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000821702422 606984092 /nfs/dbraw/zinc/98/40/92/606984092.db2.gz SLIXBLQPAOKVQI-UHFFFAOYSA-N -1 3 395.379 2.521 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823426199 606991160 /nfs/dbraw/zinc/99/11/60/606991160.db2.gz COTURKJQKJKFNY-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823426199 606991162 /nfs/dbraw/zinc/99/11/62/606991162.db2.gz COTURKJQKJKFNY-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823070616 607072886 /nfs/dbraw/zinc/07/28/86/607072886.db2.gz HLKOBGIWRBCHMA-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823070616 607072888 /nfs/dbraw/zinc/07/28/88/607072888.db2.gz HLKOBGIWRBCHMA-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822059581 607138652 /nfs/dbraw/zinc/13/86/52/607138652.db2.gz CXRAZAVRDVUCRZ-SNVBAGLBSA-N -1 3 386.343 2.628 20 5 GFBDHM Cc1c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822059581 607138653 /nfs/dbraw/zinc/13/86/53/607138653.db2.gz CXRAZAVRDVUCRZ-SNVBAGLBSA-N -1 3 386.343 2.628 20 5 GFBDHM CSc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821977448 607247790 /nfs/dbraw/zinc/24/77/90/607247790.db2.gz GMGVPXUWDQBOIN-UHFFFAOYSA-N -1 3 375.341 2.855 20 5 GFBDHM CSc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821977448 607247791 /nfs/dbraw/zinc/24/77/91/607247791.db2.gz GMGVPXUWDQBOIN-UHFFFAOYSA-N -1 3 375.341 2.855 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN2Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826500218 607849360 /nfs/dbraw/zinc/84/93/60/607849360.db2.gz OOLZDRAXLDWVQL-UHFFFAOYSA-N -1 3 388.391 2.659 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN2Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826500218 607849361 /nfs/dbraw/zinc/84/93/61/607849361.db2.gz OOLZDRAXLDWVQL-UHFFFAOYSA-N -1 3 388.391 2.659 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826499250 607876648 /nfs/dbraw/zinc/87/66/48/607876648.db2.gz BDPLLRQGVGUSHF-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccccc1C(F)(F)F ZINC000826499250 607876649 /nfs/dbraw/zinc/87/66/49/607876649.db2.gz BDPLLRQGVGUSHF-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc21 ZINC000823973956 607937174 /nfs/dbraw/zinc/93/71/74/607937174.db2.gz MYLLXOCGKVMGEM-INIZCTEOSA-N -1 3 379.380 2.685 20 5 GFBDHM CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc21 ZINC000823973956 607937175 /nfs/dbraw/zinc/93/71/75/607937175.db2.gz MYLLXOCGKVMGEM-INIZCTEOSA-N -1 3 379.380 2.685 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826278152 607980673 /nfs/dbraw/zinc/98/06/73/607980673.db2.gz SJIIPWGQXPPZEV-UHFFFAOYSA-N -1 3 377.364 2.746 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826278152 607980674 /nfs/dbraw/zinc/98/06/74/607980674.db2.gz SJIIPWGQXPPZEV-UHFFFAOYSA-N -1 3 377.364 2.746 20 5 GFBDHM CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376722 608005687 /nfs/dbraw/zinc/00/56/87/608005687.db2.gz MLSWSKHIXQHTLR-UHFFFAOYSA-N -1 3 391.391 2.852 20 5 GFBDHM CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376722 608005688 /nfs/dbraw/zinc/00/56/88/608005688.db2.gz MLSWSKHIXQHTLR-UHFFFAOYSA-N -1 3 391.391 2.852 20 5 GFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824739632 608043939 /nfs/dbraw/zinc/04/39/39/608043939.db2.gz YOTVJRMOGHJHFP-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824739632 608043940 /nfs/dbraw/zinc/04/39/40/608043940.db2.gz YOTVJRMOGHJHFP-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000826497448 608099961 /nfs/dbraw/zinc/09/99/61/608099961.db2.gz HOMKZSUCFUOEQH-CQSZACIVSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000826497448 608099962 /nfs/dbraw/zinc/09/99/62/608099962.db2.gz HOMKZSUCFUOEQH-CQSZACIVSA-N -1 3 378.751 2.713 20 5 GFBDHM O=C(CC[C@H]1CCCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405564 608161919 /nfs/dbraw/zinc/16/19/19/608161919.db2.gz KMYVWAMSPBWXQZ-SNVBAGLBSA-N -1 3 380.792 2.716 20 5 GFBDHM O=C(CC[C@H]1CCCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405564 608161921 /nfs/dbraw/zinc/16/19/21/608161921.db2.gz KMYVWAMSPBWXQZ-SNVBAGLBSA-N -1 3 380.792 2.716 20 5 GFBDHM COCCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000826155224 608162705 /nfs/dbraw/zinc/16/27/05/608162705.db2.gz KAQZCGWLLQJOQZ-UHFFFAOYSA-N -1 3 380.792 2.574 20 5 GFBDHM COCCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000826155224 608162706 /nfs/dbraw/zinc/16/27/06/608162706.db2.gz KAQZCGWLLQJOQZ-UHFFFAOYSA-N -1 3 380.792 2.574 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)n1cccc1 ZINC000824384978 608162773 /nfs/dbraw/zinc/16/27/73/608162773.db2.gz JAVZOHRCZDXQLH-SECBINFHSA-N -1 3 375.776 2.820 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)n1cccc1 ZINC000824384978 608162775 /nfs/dbraw/zinc/16/27/75/608162775.db2.gz JAVZOHRCZDXQLH-SECBINFHSA-N -1 3 375.776 2.820 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000825792682 608177486 /nfs/dbraw/zinc/17/74/86/608177486.db2.gz CFSKACRRIPFGEG-UHFFFAOYSA-N -1 3 396.342 2.536 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000825792682 608177488 /nfs/dbraw/zinc/17/74/88/608177488.db2.gz CFSKACRRIPFGEG-UHFFFAOYSA-N -1 3 396.342 2.536 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000825480535 608345152 /nfs/dbraw/zinc/34/51/52/608345152.db2.gz BCSLETLIELYSDY-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000825480535 608345155 /nfs/dbraw/zinc/34/51/55/608345155.db2.gz BCSLETLIELYSDY-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341247 608471141 /nfs/dbraw/zinc/47/11/41/608471141.db2.gz BNOBIQPSUOCVJW-GHMZBOCLSA-N -1 3 399.411 2.663 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826453581 609316705 /nfs/dbraw/zinc/31/67/05/609316705.db2.gz PZNLRSNUKSQMIN-UHFFFAOYSA-N -1 3 378.270 2.645 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826453581 609316707 /nfs/dbraw/zinc/31/67/07/609316707.db2.gz PZNLRSNUKSQMIN-UHFFFAOYSA-N -1 3 378.270 2.645 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826453881 609328097 /nfs/dbraw/zinc/32/80/97/609328097.db2.gz CHNHZLCPARAJFW-UHFFFAOYSA-N -1 3 378.270 2.645 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826453881 609328099 /nfs/dbraw/zinc/32/80/99/609328099.db2.gz CHNHZLCPARAJFW-UHFFFAOYSA-N -1 3 378.270 2.645 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc([N+](=O)[O-])c1C ZINC000826162495 609483501 /nfs/dbraw/zinc/48/35/01/609483501.db2.gz DXKIYNZGTRUFOY-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc([N+](=O)[O-])c1C ZINC000826162495 609483504 /nfs/dbraw/zinc/48/35/04/609483504.db2.gz DXKIYNZGTRUFOY-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825376889 609501887 /nfs/dbraw/zinc/50/18/87/609501887.db2.gz PENBQLBUSMDEMZ-UHFFFAOYSA-N -1 3 384.421 2.920 20 5 GFBDHM CCN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825376889 609501888 /nfs/dbraw/zinc/50/18/88/609501888.db2.gz PENBQLBUSMDEMZ-UHFFFAOYSA-N -1 3 384.421 2.920 20 5 GFBDHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826315875 609511275 /nfs/dbraw/zinc/51/12/75/609511275.db2.gz XKHVATCZOWAUTR-IHWYPQMZSA-N -1 3 385.771 2.784 20 5 GFBDHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826315875 609511277 /nfs/dbraw/zinc/51/12/77/609511277.db2.gz XKHVATCZOWAUTR-IHWYPQMZSA-N -1 3 385.771 2.784 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477752 609575290 /nfs/dbraw/zinc/57/52/90/609575290.db2.gz KOKHTHOSIMAASQ-INIZCTEOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477752 609575292 /nfs/dbraw/zinc/57/52/92/609575292.db2.gz KOKHTHOSIMAASQ-INIZCTEOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826418345 609619234 /nfs/dbraw/zinc/61/92/34/609619234.db2.gz BOUHIFGUTZUEJH-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826418345 609619235 /nfs/dbraw/zinc/61/92/35/609619235.db2.gz BOUHIFGUTZUEJH-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM CCN(CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830348267 660649595 /nfs/dbraw/zinc/64/95/95/660649595.db2.gz FGPRSEXFKSTWIK-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000044760016 654663278 /nfs/dbraw/zinc/66/32/78/654663278.db2.gz XJDVEHDCVJMFGO-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000159308277 655112974 /nfs/dbraw/zinc/11/29/74/655112974.db2.gz CVKDUXHFVYXNRM-ZDUSSCGKSA-N -1 3 391.232 2.914 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175639785 655224820 /nfs/dbraw/zinc/22/48/20/655224820.db2.gz BYKAIVSCJKYDOF-RSPIHXBNSA-N -1 3 394.902 2.606 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC(F)(F)F)ccc1Br ZINC000121111329 655347697 /nfs/dbraw/zinc/34/76/97/655347697.db2.gz JLZHQPHXEFJCCH-UHFFFAOYSA-N -1 3 377.138 2.588 20 5 GFBDHM NC(=O)c1ccc(COC(=O)c2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000730364028 655574871 /nfs/dbraw/zinc/57/48/71/655574871.db2.gz AOEMSTWPCHIDKB-UHFFFAOYSA-N -1 3 395.165 2.519 20 5 GFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318558 655612182 /nfs/dbraw/zinc/61/21/82/655612182.db2.gz AAIXZFHLBIVVGA-CYBMUJFWSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274991 655713466 /nfs/dbraw/zinc/71/34/66/655713466.db2.gz JKOSDBBODMJJLZ-VIFPVBQESA-N -1 3 389.227 2.860 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000775728922 656676151 /nfs/dbraw/zinc/67/61/51/656676151.db2.gz LNPLZXHHJFWSGB-LBPRGKRZSA-N -1 3 390.845 2.602 20 5 GFBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779907359 656962110 /nfs/dbraw/zinc/96/21/10/656962110.db2.gz QXBJKIPTAYOSPJ-JTQLQIEISA-N -1 3 390.870 2.938 20 5 GFBDHM CCCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795775253 658849620 /nfs/dbraw/zinc/84/96/20/658849620.db2.gz JDDLRKZISGDOKJ-UHFFFAOYSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccn(C)n1 ZINC000841552533 661297530 /nfs/dbraw/zinc/29/75/30/661297530.db2.gz XGDTWBRZLCRZBF-ZETCQYMHSA-N -1 3 379.225 2.675 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@](C)(O)c1ccccc1 ZINC000845982874 661518084 /nfs/dbraw/zinc/51/80/84/661518084.db2.gz UUGXPFPWTCSIDW-ZBEGNZNMSA-N -1 3 384.841 2.823 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000849370541 661710283 /nfs/dbraw/zinc/71/02/83/661710283.db2.gz FWRYMZGDEMZAIJ-UHFFFAOYSA-N -1 3 381.357 2.674 20 5 GFBDHM O=C1[N-]C(=O)C(=Cc2cc(I)cc([N+](=O)[O-])c2)S1 ZINC000874927747 662839739 /nfs/dbraw/zinc/83/97/39/662839739.db2.gz GWNGAWHWQLQEMG-FPYGCLRLSA-N -1 3 376.131 2.523 20 5 GFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000056073718 551176558 /nfs/dbraw/zinc/17/65/58/551176558.db2.gz OZWLFEOBIUDTGO-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM CCCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068903316 551193921 /nfs/dbraw/zinc/19/39/21/551193921.db2.gz CUHNURJPTCRYFP-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000152199620 551428456 /nfs/dbraw/zinc/42/84/56/551428456.db2.gz ODSQRHUFYMQTKS-UHFFFAOYSA-N -1 3 375.859 2.843 20 5 GFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000155392409 551498870 /nfs/dbraw/zinc/49/88/70/551498870.db2.gz XYRMGRFXQPYOMJ-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1 ZINC000180033660 552210588 /nfs/dbraw/zinc/21/05/88/552210588.db2.gz SSXNRBALUMSPRV-UHFFFAOYSA-N -1 3 380.760 2.627 20 5 GFBDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000182480368 552285337 /nfs/dbraw/zinc/28/53/37/552285337.db2.gz AVOORDFELQRERI-SECBINFHSA-N -1 3 384.376 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC(F)F)c(C(F)(F)F)c1 ZINC000193966052 553008210 /nfs/dbraw/zinc/00/82/10/553008210.db2.gz VVXDOQHIVMXGPJ-UHFFFAOYSA-N -1 3 378.275 2.521 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000420710651 563278174 /nfs/dbraw/zinc/27/81/74/563278174.db2.gz WEFNEFGQMZJQDM-JTQLQIEISA-N -1 3 390.458 2.554 20 5 GFBDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000420760903 563284474 /nfs/dbraw/zinc/28/44/74/563284474.db2.gz KFRGVCDCWYEONZ-UHFFFAOYSA-N -1 3 387.849 2.634 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])N=c1cc2ccc(Br)cn2[n-]1 ZINC000430099891 563533356 /nfs/dbraw/zinc/53/33/56/563533356.db2.gz UXLQLHGBGLUYKY-UHFFFAOYSA-N -1 3 375.182 2.608 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000416454141 563830901 /nfs/dbraw/zinc/83/09/01/563830901.db2.gz HRKZXYOITCYUTR-LLVKDONJSA-N -1 3 382.360 2.851 20 5 GFBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457193 563831563 /nfs/dbraw/zinc/83/15/63/563831563.db2.gz XBPOKOHQYIHVCK-VHSXEESVSA-N -1 3 382.360 2.707 20 5 GFBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416470412 563833604 /nfs/dbraw/zinc/83/36/04/563833604.db2.gz HDWFPYAOYZBLSI-JTQLQIEISA-N -1 3 382.360 2.850 20 5 GFBDHM CCC[C@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416481314 563835771 /nfs/dbraw/zinc/83/57/71/563835771.db2.gz BWTZFRUEYHOLDN-ZDUSSCGKSA-N -1 3 382.360 2.851 20 5 GFBDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030431 563872708 /nfs/dbraw/zinc/87/27/08/563872708.db2.gz UVVAUOUDJABNFJ-NWDGAFQWSA-N -1 3 382.360 2.705 20 5 GFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000541760535 564288204 /nfs/dbraw/zinc/28/82/04/564288204.db2.gz JANIDPFBCHYKQY-AWEZNQCLSA-N -1 3 388.804 2.540 20 5 GFBDHM C[C@H]1Oc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2NC1=O ZINC000542101689 564301481 /nfs/dbraw/zinc/30/14/81/564301481.db2.gz JMJDWUUACHUKNN-SSDOTTSWSA-N -1 3 383.407 2.523 20 5 GFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000546176599 564448957 /nfs/dbraw/zinc/44/89/57/564448957.db2.gz FSFDLGIJVXRKIH-UHFFFAOYSA-N -1 3 382.360 2.547 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000549602788 564600269 /nfs/dbraw/zinc/60/02/69/564600269.db2.gz WBROFJLABBUKJH-WDEREUQCSA-N -1 3 381.223 2.835 20 5 GFBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000521222371 564621996 /nfs/dbraw/zinc/62/19/96/564621996.db2.gz WDONMELHEDQKLS-SNVBAGLBSA-N -1 3 383.392 2.621 20 5 GFBDHM CCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)cc1[N+](=O)[O-] ZINC000573445658 564638432 /nfs/dbraw/zinc/63/84/32/564638432.db2.gz POOQLECULTZKCE-UHFFFAOYSA-N -1 3 389.231 2.752 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)cc1[N+](=O)[O-] ZINC000551205626 564642216 /nfs/dbraw/zinc/64/22/16/564642216.db2.gz LZWUUGKCZFOBBD-UHFFFAOYSA-N -1 3 384.464 2.895 20 5 GFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489626663 564746550 /nfs/dbraw/zinc/74/65/50/564746550.db2.gz SOLAXXZIZNHHAL-UHFFFAOYSA-N -1 3 395.165 2.722 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)c1[N+](=O)[O-] ZINC000490447690 564771730 /nfs/dbraw/zinc/77/17/30/564771730.db2.gz SRGZXGORQOPVLV-UHFFFAOYSA-N -1 3 384.483 2.708 20 5 GFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)on1 ZINC000490454759 564772676 /nfs/dbraw/zinc/77/26/76/564772676.db2.gz RIAPNINNSRTJRD-UHFFFAOYSA-N -1 3 379.316 2.815 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000490497787 564773928 /nfs/dbraw/zinc/77/39/28/564773928.db2.gz AYLBMXUHHIFDFS-BZNIZROVSA-N -1 3 382.463 2.946 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000491060109 564785338 /nfs/dbraw/zinc/78/53/38/564785338.db2.gz MRGYYNLCEUBYEJ-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000491584716 564793827 /nfs/dbraw/zinc/79/38/27/564793827.db2.gz WTKAORGUOOHSKG-GFCCVEGCSA-N -1 3 384.410 2.868 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C(C)(C)CF)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493894925 564812695 /nfs/dbraw/zinc/81/26/95/564812695.db2.gz SEQSHOABRFKRAH-UHFFFAOYSA-N -1 3 399.238 2.701 20 5 GFBDHM O=C([N-]c1ccn(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000498892331 564912292 /nfs/dbraw/zinc/91/22/92/564912292.db2.gz QEYPVOPMEKKAFG-UHFFFAOYSA-N -1 3 377.154 2.810 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c(Cl)c1 ZINC000560018576 564945662 /nfs/dbraw/zinc/94/56/62/564945662.db2.gz DTLPSRBSAMKXIX-UHFFFAOYSA-N -1 3 393.755 2.723 20 5 GFBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cccc2Br)c([N+](=O)[O-])n1 ZINC000533786879 564972523 /nfs/dbraw/zinc/97/25/23/564972523.db2.gz KDSCLOZXRMFTPZ-UHFFFAOYSA-N -1 3 393.194 2.514 20 5 GFBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C)s1 ZINC000536470880 565037397 /nfs/dbraw/zinc/03/73/97/565037397.db2.gz GCSDFPSCICJGLL-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083887 565254097 /nfs/dbraw/zinc/25/40/97/565254097.db2.gz RHERQMFMDXLKJO-MWLCHTKSSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000593585266 565345429 /nfs/dbraw/zinc/34/54/29/565345429.db2.gz GROQRLAPTKKZAK-LURJTMIESA-N -1 3 382.345 2.505 20 5 GFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000594850832 565429608 /nfs/dbraw/zinc/42/96/08/565429608.db2.gz GHSNVPOOJMDGNB-GXSJLCMTSA-N -1 3 382.360 2.850 20 5 GFBDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595393680 565472970 /nfs/dbraw/zinc/47/29/70/565472970.db2.gz YKVBLQKJJOAWKI-SNVBAGLBSA-N -1 3 382.360 2.707 20 5 GFBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000599105751 565656668 /nfs/dbraw/zinc/65/66/68/565656668.db2.gz FBKYPFOSEKSHJS-SNVBAGLBSA-N -1 3 381.186 2.511 20 5 GFBDHM Cn1cc(Br)c(=NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[n-]1 ZINC000602352444 565841484 /nfs/dbraw/zinc/84/14/84/565841484.db2.gz MEUPEIPVFAMTBM-UHFFFAOYSA-N -1 3 379.214 2.573 20 5 GFBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000604187183 565925388 /nfs/dbraw/zinc/92/53/88/565925388.db2.gz LXNBSJMAXFWCAD-UHFFFAOYSA-N -1 3 385.423 2.679 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000611469282 566131152 /nfs/dbraw/zinc/13/11/52/566131152.db2.gz CEIWMRIXESAAAZ-JOYOIKCWSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040153 598884914 /nfs/dbraw/zinc/88/49/14/598884914.db2.gz NPGLLGIFWKCLCY-JTQLQIEISA-N -1 3 387.327 2.538 20 5 GFBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040153 598884916 /nfs/dbraw/zinc/88/49/16/598884916.db2.gz NPGLLGIFWKCLCY-JTQLQIEISA-N -1 3 387.327 2.538 20 5 GFBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040154 598884964 /nfs/dbraw/zinc/88/49/64/598884964.db2.gz NPGLLGIFWKCLCY-SNVBAGLBSA-N -1 3 387.327 2.538 20 5 GFBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040154 598884966 /nfs/dbraw/zinc/88/49/66/598884966.db2.gz NPGLLGIFWKCLCY-SNVBAGLBSA-N -1 3 387.327 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H](Cn2cccn2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370774 599044997 /nfs/dbraw/zinc/04/49/97/599044997.db2.gz QGFRIVYXMFZZAU-QGZVFWFLSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H](Cn2cccn2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370774 599044998 /nfs/dbraw/zinc/04/49/98/599044998.db2.gz QGFRIVYXMFZZAU-QGZVFWFLSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c2ccncc21 ZINC000823640016 599049299 /nfs/dbraw/zinc/04/92/99/599049299.db2.gz PJBXCHOSONQEHH-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737025796 599180184 /nfs/dbraw/zinc/18/01/84/599180184.db2.gz NJFHJTWNDNUKHF-UHFFFAOYSA-N -1 3 389.755 2.965 20 5 GFBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737025796 599180187 /nfs/dbraw/zinc/18/01/87/599180187.db2.gz NJFHJTWNDNUKHF-UHFFFAOYSA-N -1 3 389.755 2.965 20 5 GFBDHM COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737141847 599231136 /nfs/dbraw/zinc/23/11/36/599231136.db2.gz ZNOPEWKJHSZQIA-ZDUSSCGKSA-N -1 3 395.423 2.864 20 5 GFBDHM COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737141847 599231139 /nfs/dbraw/zinc/23/11/39/599231139.db2.gz ZNOPEWKJHSZQIA-ZDUSSCGKSA-N -1 3 395.423 2.864 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccc(F)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366897 599271467 /nfs/dbraw/zinc/27/14/67/599271467.db2.gz JWGAMDGDPSRPLD-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccc(F)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366897 599271468 /nfs/dbraw/zinc/27/14/68/599271468.db2.gz JWGAMDGDPSRPLD-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823031569 607327495 /nfs/dbraw/zinc/32/74/95/607327495.db2.gz DTDVHSKYIRCAFM-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823031569 607327496 /nfs/dbraw/zinc/32/74/96/607327496.db2.gz DTDVHSKYIRCAFM-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739036 598311408 /nfs/dbraw/zinc/31/14/08/598311408.db2.gz HESLVRAHDSIDEM-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739036 598311409 /nfs/dbraw/zinc/31/14/09/598311409.db2.gz HESLVRAHDSIDEM-UHFFFAOYSA-N -1 3 388.384 2.669 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000738374256 598498456 /nfs/dbraw/zinc/49/84/56/598498456.db2.gz LYYRXWVKOZHMSL-UHFFFAOYSA-N -1 3 381.274 2.855 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000738374256 598498457 /nfs/dbraw/zinc/49/84/57/598498457.db2.gz LYYRXWVKOZHMSL-UHFFFAOYSA-N -1 3 381.274 2.855 20 5 GFBDHM Cn1cnc([N+](=O)[O-])c1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737619979 598551837 /nfs/dbraw/zinc/55/18/37/598551837.db2.gz YNRWMPYJAOFXSN-UHFFFAOYSA-N -1 3 392.379 2.831 20 5 GFBDHM Cn1cnc([N+](=O)[O-])c1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737619979 598551838 /nfs/dbraw/zinc/55/18/38/598551838.db2.gz YNRWMPYJAOFXSN-UHFFFAOYSA-N -1 3 392.379 2.831 20 5 GFBDHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738221643 598583902 /nfs/dbraw/zinc/58/39/02/598583902.db2.gz LOSUSBJNCCIBAC-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737841542 598599654 /nfs/dbraw/zinc/59/96/54/598599654.db2.gz LNOSQBLRPZDWKI-UHFFFAOYSA-N -1 3 385.359 2.745 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737841542 598599656 /nfs/dbraw/zinc/59/96/56/598599656.db2.gz LNOSQBLRPZDWKI-UHFFFAOYSA-N -1 3 385.359 2.745 20 5 GFBDHM O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)N1CCCC1 ZINC000738266870 598673351 /nfs/dbraw/zinc/67/33/51/598673351.db2.gz AOTRBFWTCHJVLP-UHFFFAOYSA-N -1 3 380.364 2.803 20 5 GFBDHM O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000738266870 598673353 /nfs/dbraw/zinc/67/33/53/598673353.db2.gz AOTRBFWTCHJVLP-UHFFFAOYSA-N -1 3 380.364 2.803 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368224 598676578 /nfs/dbraw/zinc/67/65/78/598676578.db2.gz AVNDLJCQFYZWNE-HNNXBMFYSA-N -1 3 394.313 2.637 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738368224 598676579 /nfs/dbraw/zinc/67/65/79/598676579.db2.gz AVNDLJCQFYZWNE-HNNXBMFYSA-N -1 3 394.313 2.637 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000738235374 598710205 /nfs/dbraw/zinc/71/02/05/598710205.db2.gz KVQUIQLCSWHGQB-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000738235374 598710207 /nfs/dbraw/zinc/71/02/07/598710207.db2.gz KVQUIQLCSWHGQB-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1cccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738370591 598802666 /nfs/dbraw/zinc/80/26/66/598802666.db2.gz WENMRUCAPIQSTI-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1cccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738370591 598802667 /nfs/dbraw/zinc/80/26/67/598802667.db2.gz WENMRUCAPIQSTI-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737262322 599324179 /nfs/dbraw/zinc/32/41/79/599324179.db2.gz DOWYPAARAJDBPP-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737262322 599324181 /nfs/dbraw/zinc/32/41/81/599324181.db2.gz DOWYPAARAJDBPP-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738366102 599327073 /nfs/dbraw/zinc/32/70/73/599327073.db2.gz CJIVPMDWLFTXJX-UHFFFAOYSA-N -1 3 392.322 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738366102 599327077 /nfs/dbraw/zinc/32/70/77/599327077.db2.gz CJIVPMDWLFTXJX-UHFFFAOYSA-N -1 3 392.322 2.867 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000820467306 599568283 /nfs/dbraw/zinc/56/82/83/599568283.db2.gz DILKICIRFZQDJO-KRWDZBQOSA-N -1 3 397.420 2.704 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000820467306 599568286 /nfs/dbraw/zinc/56/82/86/599568286.db2.gz DILKICIRFZQDJO-KRWDZBQOSA-N -1 3 397.420 2.704 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826254091 607443750 /nfs/dbraw/zinc/44/37/50/607443750.db2.gz TYTFGUJOAPDSBX-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826254091 607443752 /nfs/dbraw/zinc/44/37/52/607443752.db2.gz TYTFGUJOAPDSBX-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171293 601013456 /nfs/dbraw/zinc/01/34/56/601013456.db2.gz NJQIHBBRQKKTHF-CZUORRHYSA-N -1 3 376.800 2.955 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2ccc(OCC(F)(F)F)nc2)ccc1-c1nnn[n-]1 ZINC000823635484 607498240 /nfs/dbraw/zinc/49/82/40/607498240.db2.gz XRXOSOMDCMMEPF-UHFFFAOYSA-N -1 3 395.301 2.723 20 5 GFBDHM C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824744635 607524155 /nfs/dbraw/zinc/52/41/55/607524155.db2.gz CPGWJUANWYQEDH-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824744635 607524157 /nfs/dbraw/zinc/52/41/57/607524157.db2.gz CPGWJUANWYQEDH-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM COc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826215824 607525323 /nfs/dbraw/zinc/52/53/23/607525323.db2.gz ZMPKFINPVRCWLY-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826215824 607525325 /nfs/dbraw/zinc/52/53/25/607525325.db2.gz ZMPKFINPVRCWLY-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM O=C([O-])N(CC1CC1)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000831432955 604232003 /nfs/dbraw/zinc/23/20/03/604232003.db2.gz OFXCYZBSXDJZEG-UHFFFAOYSA-N -1 3 390.440 2.778 20 5 GFBDHM CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000826898195 605480136 /nfs/dbraw/zinc/48/01/36/605480136.db2.gz SSIBYMDJPUICFL-UHFFFAOYSA-N -1 3 378.429 2.696 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823066211 606130497 /nfs/dbraw/zinc/13/04/97/606130497.db2.gz QAOQZTLHZGHURC-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000823066211 606130499 /nfs/dbraw/zinc/13/04/99/606130499.db2.gz QAOQZTLHZGHURC-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821427621 606462900 /nfs/dbraw/zinc/46/29/00/606462900.db2.gz XHIXCNXWTJMBOP-UHFFFAOYSA-N -1 3 375.366 2.592 20 5 GFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821427621 606462902 /nfs/dbraw/zinc/46/29/02/606462902.db2.gz XHIXCNXWTJMBOP-UHFFFAOYSA-N -1 3 375.366 2.592 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822271224 606638848 /nfs/dbraw/zinc/63/88/48/606638848.db2.gz RLQLFAPGSOYMAB-LBPRGKRZSA-N -1 3 399.436 2.671 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822271224 606638849 /nfs/dbraw/zinc/63/88/49/606638849.db2.gz RLQLFAPGSOYMAB-LBPRGKRZSA-N -1 3 399.436 2.671 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822271289 606642939 /nfs/dbraw/zinc/64/29/39/606642939.db2.gz VHIIBUYHPJXWBA-UHFFFAOYSA-N -1 3 385.359 2.853 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822271289 606642940 /nfs/dbraw/zinc/64/29/40/606642940.db2.gz VHIIBUYHPJXWBA-UHFFFAOYSA-N -1 3 385.359 2.853 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC([C@@H](O)c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000823635315 606645256 /nfs/dbraw/zinc/64/52/56/606645256.db2.gz VQXPNPVBAZFDLX-SFHVURJKSA-N -1 3 380.408 2.725 20 5 GFBDHM Cc1nc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000822453479 606715457 /nfs/dbraw/zinc/71/54/57/606715457.db2.gz JQHATHKHLGSJAK-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1nc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000822453479 606715458 /nfs/dbraw/zinc/71/54/58/606715458.db2.gz JQHATHKHLGSJAK-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822928418 606812316 /nfs/dbraw/zinc/81/23/16/606812316.db2.gz IDDUFLFRGMOBOQ-YVMONPNESA-N -1 3 384.783 2.758 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822928418 606812317 /nfs/dbraw/zinc/81/23/17/606812317.db2.gz IDDUFLFRGMOBOQ-YVMONPNESA-N -1 3 384.783 2.758 20 5 GFBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821617016 606880472 /nfs/dbraw/zinc/88/04/72/606880472.db2.gz SLYWXDUFJQXPPI-UHFFFAOYSA-N -1 3 376.380 2.801 20 5 GFBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821617016 606880473 /nfs/dbraw/zinc/88/04/73/606880473.db2.gz SLYWXDUFJQXPPI-UHFFFAOYSA-N -1 3 376.380 2.801 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823422118 607004470 /nfs/dbraw/zinc/00/44/70/607004470.db2.gz OELAGTAOKOSTMK-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823422118 607004473 /nfs/dbraw/zinc/00/44/73/607004473.db2.gz OELAGTAOKOSTMK-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(COc1ccc(-c2nnn[n-]2)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000823040863 607171159 /nfs/dbraw/zinc/17/11/59/607171159.db2.gz QVSQTSJCQIATEQ-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000823040863 607171160 /nfs/dbraw/zinc/17/11/60/607171160.db2.gz QVSQTSJCQIATEQ-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224010 607203565 /nfs/dbraw/zinc/20/35/65/607203565.db2.gz PABIOHAXWHZSNJ-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224010 607203566 /nfs/dbraw/zinc/20/35/66/607203566.db2.gz PABIOHAXWHZSNJ-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824390478 607811082 /nfs/dbraw/zinc/81/10/82/607811082.db2.gz AKGLXRUBWPXARL-LBPRGKRZSA-N -1 3 382.380 2.709 20 5 GFBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824390478 607811083 /nfs/dbraw/zinc/81/10/83/607811083.db2.gz AKGLXRUBWPXARL-LBPRGKRZSA-N -1 3 382.380 2.709 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc(-c3nnn[n-]3)c2c1 ZINC000826499308 607822207 /nfs/dbraw/zinc/82/22/07/607822207.db2.gz DJLISONWFXXVMI-SSKCKEOISA-N -1 3 393.407 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc(-c3nn[n-]n3)c2c1 ZINC000826499308 607822208 /nfs/dbraw/zinc/82/22/08/607822208.db2.gz DJLISONWFXXVMI-SSKCKEOISA-N -1 3 393.407 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](C4CCOCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499321 607851262 /nfs/dbraw/zinc/85/12/62/607851262.db2.gz DUQVNUYBNYMKHR-ZDUSSCGKSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](C4CCOCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499321 607851263 /nfs/dbraw/zinc/85/12/63/607851263.db2.gz DUQVNUYBNYMKHR-ZDUSSCGKSA-N -1 3 395.423 2.576 20 5 GFBDHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1[N+](=O)[O-] ZINC000826300470 607867247 /nfs/dbraw/zinc/86/72/47/607867247.db2.gz WCDNVKBJOWXARF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1[N+](=O)[O-] ZINC000826300470 607867248 /nfs/dbraw/zinc/86/72/48/607867248.db2.gz WCDNVKBJOWXARF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(OC)c(CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826211299 607966504 /nfs/dbraw/zinc/96/65/04/607966504.db2.gz WZPZMWKTMHDHQJ-UHFFFAOYSA-N -1 3 384.396 2.837 20 5 GFBDHM COc1ccc(OC)c(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826211299 607966505 /nfs/dbraw/zinc/96/65/05/607966505.db2.gz WZPZMWKTMHDHQJ-UHFFFAOYSA-N -1 3 384.396 2.837 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000826497897 607987376 /nfs/dbraw/zinc/98/73/76/607987376.db2.gz YAMOQGMFVIWDSX-UHFFFAOYSA-N -1 3 376.380 2.705 20 5 GFBDHM CC(=O)c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024451 608051726 /nfs/dbraw/zinc/05/17/26/608051726.db2.gz FNIXRIQKGAWIHA-SFHVURJKSA-N -1 3 394.391 2.555 20 5 GFBDHM CC(=O)c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024451 608051727 /nfs/dbraw/zinc/05/17/27/608051727.db2.gz FNIXRIQKGAWIHA-SFHVURJKSA-N -1 3 394.391 2.555 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826498473 608052907 /nfs/dbraw/zinc/05/29/07/608052907.db2.gz WNJVQPVQDPAIDN-OAHLLOKOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826498473 608052908 /nfs/dbraw/zinc/05/29/08/608052908.db2.gz WNJVQPVQDPAIDN-OAHLLOKOSA-N -1 3 388.334 2.631 20 5 GFBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391826 608123453 /nfs/dbraw/zinc/12/34/53/608123453.db2.gz KYISIXBATKUYKY-ZUZCIYMTSA-N -1 3 395.379 2.840 20 5 GFBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391826 608123454 /nfs/dbraw/zinc/12/34/54/608123454.db2.gz KYISIXBATKUYKY-ZUZCIYMTSA-N -1 3 395.379 2.840 20 5 GFBDHM CC(C)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)n(C)n1 ZINC000824341796 608162374 /nfs/dbraw/zinc/16/23/74/608162374.db2.gz CRWIEFUPGOHKSG-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM CC(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)n(C)n1 ZINC000824341796 608162375 /nfs/dbraw/zinc/16/23/75/608162375.db2.gz CRWIEFUPGOHKSG-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826454426 608241882 /nfs/dbraw/zinc/24/18/82/608241882.db2.gz WBRBWTPVXHWKJJ-UHFFFAOYSA-N -1 3 379.311 2.715 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826454426 608241884 /nfs/dbraw/zinc/24/18/84/608241884.db2.gz WBRBWTPVXHWKJJ-UHFFFAOYSA-N -1 3 379.311 2.715 20 5 GFBDHM C[C@H](c1ccccn1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824770238 608375350 /nfs/dbraw/zinc/37/53/50/608375350.db2.gz HHBMULPMZOKFEG-LLVKDONJSA-N -1 3 376.380 2.916 20 5 GFBDHM C[C@H](c1ccccn1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824770238 608375352 /nfs/dbraw/zinc/37/53/52/608375352.db2.gz HHBMULPMZOKFEG-LLVKDONJSA-N -1 3 376.380 2.916 20 5 GFBDHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634245 608469177 /nfs/dbraw/zinc/46/91/77/608469177.db2.gz UIFGYGHPNXHYHT-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824634245 608469179 /nfs/dbraw/zinc/46/91/79/608469179.db2.gz UIFGYGHPNXHYHT-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473530 608479515 /nfs/dbraw/zinc/47/95/15/608479515.db2.gz BPCLZMJPAAHKEH-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473530 608479516 /nfs/dbraw/zinc/47/95/16/608479516.db2.gz BPCLZMJPAAHKEH-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826263478 608757335 /nfs/dbraw/zinc/75/73/35/608757335.db2.gz CQYNOOJWAJZKRX-UHFFFAOYSA-N -1 3 380.408 2.972 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826263478 608757336 /nfs/dbraw/zinc/75/73/36/608757336.db2.gz CQYNOOJWAJZKRX-UHFFFAOYSA-N -1 3 380.408 2.972 20 5 GFBDHM Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269220 609243251 /nfs/dbraw/zinc/24/32/51/609243251.db2.gz FISIRFBLOMMXFW-KRWDZBQOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826454075 609381402 /nfs/dbraw/zinc/38/14/02/609381402.db2.gz IRJYXDCJJWMAFK-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826454075 609381404 /nfs/dbraw/zinc/38/14/04/609381404.db2.gz IRJYXDCJJWMAFK-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826467391 609396015 /nfs/dbraw/zinc/39/60/15/609396015.db2.gz UJDAJYHCORANCA-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826467391 609396016 /nfs/dbraw/zinc/39/60/16/609396016.db2.gz UJDAJYHCORANCA-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826293340 609460960 /nfs/dbraw/zinc/46/09/60/609460960.db2.gz LOTORESYSFTKHY-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM COc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180074 609462417 /nfs/dbraw/zinc/46/24/17/609462417.db2.gz RCYQBRJRUFTQJR-CLFYSBASSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826180074 609462419 /nfs/dbraw/zinc/46/24/19/609462419.db2.gz RCYQBRJRUFTQJR-CLFYSBASSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(Cn2cc(C)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826179857 609585457 /nfs/dbraw/zinc/58/54/57/609585457.db2.gz IGNSNCVHUPFHEG-UHFFFAOYSA-N -1 3 394.338 2.586 20 5 GFBDHM COc1cc(Cn2cc(C)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826179857 609585459 /nfs/dbraw/zinc/58/54/59/609585459.db2.gz IGNSNCVHUPFHEG-UHFFFAOYSA-N -1 3 394.338 2.586 20 5 GFBDHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252575 609598081 /nfs/dbraw/zinc/59/80/81/609598081.db2.gz JIGJXPYYRQFUTD-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252575 609598083 /nfs/dbraw/zinc/59/80/83/609598083.db2.gz JIGJXPYYRQFUTD-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000831655621 660717450 /nfs/dbraw/zinc/71/74/50/660717450.db2.gz SGRLUIWSZHSGIE-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000125570331 654798413 /nfs/dbraw/zinc/79/84/13/654798413.db2.gz LRKPHAVBTVJYQC-UHFFFAOYSA-N -1 3 396.734 2.967 20 5 GFBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000151410992 655050988 /nfs/dbraw/zinc/05/09/88/655050988.db2.gz BATZHZNIMUVOQT-UHFFFAOYSA-N -1 3 386.861 2.591 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1C ZINC000165443822 655139983 /nfs/dbraw/zinc/13/99/83/655139983.db2.gz CUJPCTMHFPMQJS-UHFFFAOYSA-N -1 3 379.423 2.522 20 5 GFBDHM O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[N-]C(=O)c1cccs1 ZINC000754989438 655877958 /nfs/dbraw/zinc/87/79/58/655877958.db2.gz RPYUQGBPSZKXTG-UHFFFAOYSA-N -1 3 386.744 2.562 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000809395112 659926724 /nfs/dbraw/zinc/92/67/24/659926724.db2.gz HXRQFQJKDGUNQU-BDAKNGLRSA-N -1 3 394.280 2.805 20 5 GFBDHM COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c[n-]1 ZINC000814530883 660088236 /nfs/dbraw/zinc/08/82/36/660088236.db2.gz ITXDKUJZWXZQFO-UHFFFAOYSA-N -1 3 383.154 2.829 20 5 GFBDHM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC(F)(F)C1 ZINC000872667447 662784413 /nfs/dbraw/zinc/78/44/13/662784413.db2.gz FBBRFAHCTVBMIJ-UHFFFAOYSA-N -1 3 385.186 2.823 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000123297344 551304626 /nfs/dbraw/zinc/30/46/26/551304626.db2.gz CQUASCXWIBLOCC-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000156266269 551518602 /nfs/dbraw/zinc/51/86/02/551518602.db2.gz HEYLYLWUKXNMGO-JTQLQIEISA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163213755 551617654 /nfs/dbraw/zinc/61/76/54/551617654.db2.gz GPPKRPRJNUXFOT-MWLCHTKSSA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163393066 551619507 /nfs/dbraw/zinc/61/95/07/551619507.db2.gz DDQNIGQDKUOYPG-VXGBXAGGSA-N -1 3 382.360 2.850 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000183387333 552307948 /nfs/dbraw/zinc/30/79/48/552307948.db2.gz UIYPPFPHFQEQFC-UHFFFAOYSA-N -1 3 383.813 2.550 20 5 GFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1nccs1 ZINC000185651363 552368305 /nfs/dbraw/zinc/36/83/05/552368305.db2.gz RBVHDWLSUOAVTH-UHFFFAOYSA-N -1 3 378.435 2.813 20 5 GFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000189161370 552465172 /nfs/dbraw/zinc/46/51/72/552465172.db2.gz FZGVTFVSBKZQST-SNVBAGLBSA-N -1 3 385.829 3.000 20 5 GFBDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190057185 552486541 /nfs/dbraw/zinc/48/65/41/552486541.db2.gz GGVMXKCSYODKPX-POUGUFFASA-N -1 3 388.511 2.570 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000420738878 563281798 /nfs/dbraw/zinc/28/17/98/563281798.db2.gz OIOBEDGHKJCONL-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(N3CCCC3=O)cc2)s1 ZINC000302004980 563418374 /nfs/dbraw/zinc/41/83/74/563418374.db2.gz UEXLLGSZHGJPLI-UHFFFAOYSA-N -1 3 381.435 2.930 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000432259743 563578101 /nfs/dbraw/zinc/57/81/01/563578101.db2.gz PXKLEWHAJFZFGQ-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CC1CCC([N-]S(=O)(=O)Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000350836719 563677621 /nfs/dbraw/zinc/67/76/21/563677621.db2.gz QPICBHSNXZNTPT-UHFFFAOYSA-N -1 3 386.455 2.704 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])OCCc2sccc21 ZINC000290086191 563697277 /nfs/dbraw/zinc/69/72/77/563697277.db2.gz HJMOYEUZWKYNQC-MRXNPFEDSA-N -1 3 382.463 2.564 20 5 GFBDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498636 563839471 /nfs/dbraw/zinc/83/94/71/563839471.db2.gz XYSMMIQEXJCSBS-AMIZOPFISA-N -1 3 382.360 2.705 20 5 GFBDHM COCCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416521964 563842874 /nfs/dbraw/zinc/84/28/74/563842874.db2.gz IGEHCXKAQSEEOH-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000416620094 563854459 /nfs/dbraw/zinc/85/44/59/563854459.db2.gz RFLAFLVSWDZEHK-VIFPVBQESA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000541386407 564276990 /nfs/dbraw/zinc/27/69/90/564276990.db2.gz JXZDARDDHPTYAF-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000451812447 564354244 /nfs/dbraw/zinc/35/42/44/564354244.db2.gz HBHHPUIHPISIBB-UHFFFAOYSA-N -1 3 380.825 2.601 20 5 GFBDHM CNc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cccc1[N+](=O)[O-] ZINC000513759813 564437636 /nfs/dbraw/zinc/43/76/36/564437636.db2.gz DONANPFZPPICEN-UHFFFAOYSA-N -1 3 390.197 2.721 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545934387 564438701 /nfs/dbraw/zinc/43/87/01/564438701.db2.gz VWVZSYDRCAMKQE-UHFFFAOYSA-N -1 3 382.463 2.991 20 5 GFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000546075901 564443567 /nfs/dbraw/zinc/44/35/67/564443567.db2.gz KQVJVXGQBLTTAL-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc([N+](=O)[O-])cc1 ZINC000573987126 564663542 /nfs/dbraw/zinc/66/35/42/564663542.db2.gz VSWUPYPBZCFQEZ-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462412673 564837932 /nfs/dbraw/zinc/83/79/32/564837932.db2.gz VENOGMIHZWZJFO-VIFPVBQESA-N -1 3 395.275 2.839 20 5 GFBDHM CCN(CC)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462431878 564838601 /nfs/dbraw/zinc/83/86/01/564838601.db2.gz YJPUTYWGHIFKJG-VIFPVBQESA-N -1 3 384.285 2.910 20 5 GFBDHM Cc1cc(Cl)ccc1CNCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463741277 564889317 /nfs/dbraw/zinc/88/93/17/564889317.db2.gz ZIEPTUDQJCWXNM-UHFFFAOYSA-N -1 3 383.857 2.625 20 5 GFBDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000558777192 564914419 /nfs/dbraw/zinc/91/44/19/564914419.db2.gz QLHOZNDYISBEJX-JTQLQIEISA-N -1 3 381.273 2.530 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000467079260 564955436 /nfs/dbraw/zinc/95/54/36/564955436.db2.gz MGRXPYOXCTWJIZ-UHFFFAOYSA-N -1 3 376.485 2.592 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264349 564959931 /nfs/dbraw/zinc/95/99/31/564959931.db2.gz MLHXWLONBQZKQQ-AWEZNQCLSA-N -1 3 381.479 2.518 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467405110 564962775 /nfs/dbraw/zinc/96/27/75/564962775.db2.gz DVCHEOLJQMJGIT-QMMMGPOBSA-N -1 3 392.405 2.989 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@](C)=O)cc1 ZINC000533701937 564970835 /nfs/dbraw/zinc/97/08/35/564970835.db2.gz PLIFOUAHFMMTRV-JUZXBQNTSA-N -1 3 386.426 2.511 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@@](C)=O)cc1 ZINC000533701936 564971172 /nfs/dbraw/zinc/97/11/72/564971172.db2.gz PLIFOUAHFMMTRV-CCGUKBGLSA-N -1 3 386.426 2.511 20 5 GFBDHM O=C([N-]c1cccc2c1CNC2=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000561682063 565005918 /nfs/dbraw/zinc/00/59/18/565005918.db2.gz WFSOVCZNJKFVEO-UHFFFAOYSA-N -1 3 382.195 2.915 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000619498681 565345040 /nfs/dbraw/zinc/34/50/40/565345040.db2.gz CTCWTORSMQKLBK-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000594476475 565392981 /nfs/dbraw/zinc/39/29/81/565392981.db2.gz COMHEFILSPZARH-SECBINFHSA-N -1 3 378.834 2.504 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488674 565396192 /nfs/dbraw/zinc/39/61/92/565396192.db2.gz UDRXNRCHFSXPRR-GXFFZTMASA-N -1 3 382.360 2.682 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(C2CCCCC2)C1 ZINC000594854431 565430742 /nfs/dbraw/zinc/43/07/42/565430742.db2.gz KJQISJGBJKOAGW-LBPRGKRZSA-N -1 3 387.889 2.934 20 5 GFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(F)F ZINC000595351316 565467627 /nfs/dbraw/zinc/46/76/27/565467627.db2.gz RENCHYCTXMOOQG-JTQLQIEISA-N -1 3 399.213 2.927 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000597841224 565577495 /nfs/dbraw/zinc/57/74/95/565577495.db2.gz FCZUIKOCULDRJA-GFCCVEGCSA-N -1 3 382.829 2.976 20 5 GFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OCC ZINC000599367992 565672952 /nfs/dbraw/zinc/67/29/52/565672952.db2.gz QFFNCCYGOOBTTD-NSHDSACASA-N -1 3 395.275 2.841 20 5 GFBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599410373 565677401 /nfs/dbraw/zinc/67/74/01/565677401.db2.gz IXPUCEJAJLMIJL-JTQLQIEISA-N -1 3 384.376 2.689 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738053518 598906697 /nfs/dbraw/zinc/90/66/97/598906697.db2.gz JEECHZFHDMKXKW-UHFFFAOYSA-N -1 3 395.423 2.597 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738053518 598906698 /nfs/dbraw/zinc/90/66/98/598906698.db2.gz JEECHZFHDMKXKW-UHFFFAOYSA-N -1 3 395.423 2.597 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737032205 598938068 /nfs/dbraw/zinc/93/80/68/598938068.db2.gz JJIQCVCUWOFKHK-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737032205 598938071 /nfs/dbraw/zinc/93/80/71/598938071.db2.gz JJIQCVCUWOFKHK-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@@H]21 ZINC000820583073 599041820 /nfs/dbraw/zinc/04/18/20/599041820.db2.gz BBNYRIJCBRHLFV-LQAWEQHXSA-N -1 3 395.423 2.939 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@@H]21 ZINC000820583073 599041823 /nfs/dbraw/zinc/04/18/23/599041823.db2.gz BBNYRIJCBRHLFV-LQAWEQHXSA-N -1 3 395.423 2.939 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281337 599064027 /nfs/dbraw/zinc/06/40/27/599064027.db2.gz VQVJKFKDWMWSCJ-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281337 599064029 /nfs/dbraw/zinc/06/40/29/599064029.db2.gz VQVJKFKDWMWSCJ-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738361059 599167772 /nfs/dbraw/zinc/16/77/72/599167772.db2.gz UETDTXVAHOZZGU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738361059 599167774 /nfs/dbraw/zinc/16/77/74/599167774.db2.gz UETDTXVAHOZZGU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823308740 607263461 /nfs/dbraw/zinc/26/34/61/607263461.db2.gz IZRJLCFEAVERPM-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000823308740 607263462 /nfs/dbraw/zinc/26/34/62/607263462.db2.gz IZRJLCFEAVERPM-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738232957 599261313 /nfs/dbraw/zinc/26/13/13/599261313.db2.gz BQBKPELMMBQJLD-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738232957 599261316 /nfs/dbraw/zinc/26/13/16/599261316.db2.gz BQBKPELMMBQJLD-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM Cc1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000737260992 599267276 /nfs/dbraw/zinc/26/72/76/599267276.db2.gz BCVHLXFFOQLLKF-MRXNPFEDSA-N -1 3 392.379 2.961 20 5 GFBDHM Cc1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000737260992 599267277 /nfs/dbraw/zinc/26/72/77/599267277.db2.gz BCVHLXFFOQLLKF-MRXNPFEDSA-N -1 3 392.379 2.961 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737412414 598368667 /nfs/dbraw/zinc/36/86/67/598368667.db2.gz YKMOPIMUJRKNGK-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737412414 598368669 /nfs/dbraw/zinc/36/86/69/598368669.db2.gz YKMOPIMUJRKNGK-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736190541 598608353 /nfs/dbraw/zinc/60/83/53/598608353.db2.gz VXZDUQMBDHRPLB-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736190541 598608355 /nfs/dbraw/zinc/60/83/55/598608355.db2.gz VXZDUQMBDHRPLB-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(-c2nnn[n-]2)cc1 ZINC000738361114 598637419 /nfs/dbraw/zinc/63/74/19/598637419.db2.gz UYVICRGNJAWWEI-UHFFFAOYSA-N -1 3 397.319 2.564 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000738361114 598637420 /nfs/dbraw/zinc/63/74/20/598637420.db2.gz UYVICRGNJAWWEI-UHFFFAOYSA-N -1 3 397.319 2.564 20 5 GFBDHM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742959 599305762 /nfs/dbraw/zinc/30/57/62/599305762.db2.gz VNECBUYEHDIUKU-UHFFFAOYSA-N -1 3 393.407 2.652 20 5 GFBDHM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742959 599305764 /nfs/dbraw/zinc/30/57/64/599305764.db2.gz VNECBUYEHDIUKU-UHFFFAOYSA-N -1 3 393.407 2.652 20 5 GFBDHM C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333417 599528628 /nfs/dbraw/zinc/52/86/28/599528628.db2.gz BANIIOAQVHKLEN-LBPRGKRZSA-N -1 3 391.391 2.607 20 5 GFBDHM C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333417 599528631 /nfs/dbraw/zinc/52/86/31/599528631.db2.gz BANIIOAQVHKLEN-LBPRGKRZSA-N -1 3 391.391 2.607 20 5 GFBDHM CC(C)C[C@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820054525 599686371 /nfs/dbraw/zinc/68/63/71/599686371.db2.gz AFFJLHOFHPOQAV-LBPRGKRZSA-N -1 3 385.428 2.780 20 5 GFBDHM CC(C)C[C@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820054525 599686372 /nfs/dbraw/zinc/68/63/72/599686372.db2.gz AFFJLHOFHPOQAV-LBPRGKRZSA-N -1 3 385.428 2.780 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826428117 607423028 /nfs/dbraw/zinc/42/30/28/607423028.db2.gz PEJMLGAGQLJCOI-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826428117 607423030 /nfs/dbraw/zinc/42/30/30/607423030.db2.gz PEJMLGAGQLJCOI-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000826497944 607452450 /nfs/dbraw/zinc/45/24/50/607452450.db2.gz ACARVGRMIWOUOY-HNNXBMFYSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823639816 606201197 /nfs/dbraw/zinc/20/11/97/606201197.db2.gz HUJBOHREHMVOCR-IAQYHMDHSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000823639816 606201199 /nfs/dbraw/zinc/20/11/99/606201199.db2.gz HUJBOHREHMVOCR-IAQYHMDHSA-N -1 3 386.437 2.929 20 5 GFBDHM C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820497167 606340723 /nfs/dbraw/zinc/34/07/23/606340723.db2.gz QHRYQSOTTCDXBP-GFCCVEGCSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820497167 606340725 /nfs/dbraw/zinc/34/07/25/606340725.db2.gz QHRYQSOTTCDXBP-GFCCVEGCSA-N -1 3 382.380 2.516 20 5 GFBDHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640950 606416732 /nfs/dbraw/zinc/41/67/32/606416732.db2.gz SKGZUBJQGXWKBD-SJKOYZFVSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640950 606416734 /nfs/dbraw/zinc/41/67/34/606416734.db2.gz SKGZUBJQGXWKBD-SJKOYZFVSA-N -1 3 396.407 2.648 20 5 GFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000820926123 606419450 /nfs/dbraw/zinc/41/94/50/606419450.db2.gz OZEKBAZMSNGNSE-MLGOLLRUSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000820926123 606419451 /nfs/dbraw/zinc/41/94/51/606419451.db2.gz OZEKBAZMSNGNSE-MLGOLLRUSA-N -1 3 390.350 2.977 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228764 606448632 /nfs/dbraw/zinc/44/86/32/606448632.db2.gz FDPRRVNSONVRTJ-WTNCMQEWSA-N -1 3 378.392 2.974 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228764 606448633 /nfs/dbraw/zinc/44/86/33/606448633.db2.gz FDPRRVNSONVRTJ-WTNCMQEWSA-N -1 3 378.392 2.974 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823640038 606461312 /nfs/dbraw/zinc/46/13/12/606461312.db2.gz QBRFKABECOXANZ-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823640038 606461313 /nfs/dbraw/zinc/46/13/13/606461313.db2.gz QBRFKABECOXANZ-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820121311 606532010 /nfs/dbraw/zinc/53/20/10/606532010.db2.gz PNAUBVWCQROZOU-UHFFFAOYSA-N -1 3 380.408 2.755 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820121311 606532011 /nfs/dbraw/zinc/53/20/11/606532011.db2.gz PNAUBVWCQROZOU-UHFFFAOYSA-N -1 3 380.408 2.755 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820527277 606545864 /nfs/dbraw/zinc/54/58/64/606545864.db2.gz KRFXUANFSAYBMG-GFCCVEGCSA-N -1 3 396.407 2.594 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000823630033 606728469 /nfs/dbraw/zinc/72/84/69/606728469.db2.gz QEZUNDVOAKYTEP-NSHDSACASA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000823630033 606728471 /nfs/dbraw/zinc/72/84/71/606728471.db2.gz QEZUNDVOAKYTEP-NSHDSACASA-N -1 3 387.350 2.744 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822333084 606793531 /nfs/dbraw/zinc/79/35/31/606793531.db2.gz VVYWNTOMPQDWKS-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822333084 606793532 /nfs/dbraw/zinc/79/35/32/606793532.db2.gz VVYWNTOMPQDWKS-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000823644266 606847504 /nfs/dbraw/zinc/84/75/04/606847504.db2.gz IKUCORVNCQRPRU-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000823644266 606847506 /nfs/dbraw/zinc/84/75/06/606847506.db2.gz IKUCORVNCQRPRU-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM CC(C)CO[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820096726 607043940 /nfs/dbraw/zinc/04/39/40/607043940.db2.gz GQGJYKOVBOEDAS-ZDUSSCGKSA-N -1 3 383.412 2.574 20 5 GFBDHM CC(C)CO[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820096726 607043941 /nfs/dbraw/zinc/04/39/41/607043941.db2.gz GQGJYKOVBOEDAS-ZDUSSCGKSA-N -1 3 383.412 2.574 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823066311 607078028 /nfs/dbraw/zinc/07/80/28/607078028.db2.gz UPSQIKVSIDLHNG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823066311 607078030 /nfs/dbraw/zinc/07/80/30/607078030.db2.gz UPSQIKVSIDLHNG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1F ZINC000823634492 607165425 /nfs/dbraw/zinc/16/54/25/607165425.db2.gz IAIBPAVKWDALFH-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1F ZINC000823634492 607165426 /nfs/dbraw/zinc/16/54/26/607165426.db2.gz IAIBPAVKWDALFH-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825372282 607795721 /nfs/dbraw/zinc/79/57/21/607795721.db2.gz UWCUCIJNBAXJNX-UHFFFAOYSA-N -1 3 382.380 2.597 20 5 GFBDHM CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825372282 607795722 /nfs/dbraw/zinc/79/57/22/607795722.db2.gz UWCUCIJNBAXJNX-UHFFFAOYSA-N -1 3 382.380 2.597 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826421702 608006599 /nfs/dbraw/zinc/00/65/99/608006599.db2.gz VKFWPNNYKGCDIQ-UHFFFAOYSA-N -1 3 381.327 2.577 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826421702 608006600 /nfs/dbraw/zinc/00/66/00/608006600.db2.gz VKFWPNNYKGCDIQ-UHFFFAOYSA-N -1 3 381.327 2.577 20 5 GFBDHM Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826355131 608018403 /nfs/dbraw/zinc/01/84/03/608018403.db2.gz LCSVKNUGGBJAIU-UHFFFAOYSA-N -1 3 377.368 2.678 20 5 GFBDHM Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2nc1C1CC1 ZINC000826355131 608018404 /nfs/dbraw/zinc/01/84/04/608018404.db2.gz LCSVKNUGGBJAIU-UHFFFAOYSA-N -1 3 377.368 2.678 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826467631 608028478 /nfs/dbraw/zinc/02/84/78/608028478.db2.gz GHARFJIWEKOLJG-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826467631 608028479 /nfs/dbraw/zinc/02/84/79/608028479.db2.gz GHARFJIWEKOLJG-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826465939 608104801 /nfs/dbraw/zinc/10/48/01/608104801.db2.gz JBMHYXXBVJWQSW-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826465939 608104802 /nfs/dbraw/zinc/10/48/02/608104802.db2.gz JBMHYXXBVJWQSW-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455173 608201635 /nfs/dbraw/zinc/20/16/35/608201635.db2.gz BYVGTPXRQKSOON-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455173 608201637 /nfs/dbraw/zinc/20/16/37/608201637.db2.gz BYVGTPXRQKSOON-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM COc1cc(Br)cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826177222 608233825 /nfs/dbraw/zinc/23/38/25/608233825.db2.gz XWZFHASXKIHMRO-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM COc1cc(Br)cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826177222 608233826 /nfs/dbraw/zinc/23/38/26/608233826.db2.gz XWZFHASXKIHMRO-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCNc3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000826499476 608370242 /nfs/dbraw/zinc/37/02/42/608370242.db2.gz JZLQRGYYYXYOTJ-UHFFFAOYSA-N -1 3 391.395 2.632 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCNc3ccccn3)cc(-c3nn[n-]n3)c2c1 ZINC000826499476 608370244 /nfs/dbraw/zinc/37/02/44/608370244.db2.gz JZLQRGYYYXYOTJ-UHFFFAOYSA-N -1 3 391.395 2.632 20 5 GFBDHM C[C@@H](O)c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000824708522 608373415 /nfs/dbraw/zinc/37/34/15/608373415.db2.gz YDFLSKABLPOOJH-LLVKDONJSA-N -1 3 391.391 2.989 20 5 GFBDHM C[C@@H](O)c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000824708522 608373417 /nfs/dbraw/zinc/37/34/17/608373417.db2.gz YDFLSKABLPOOJH-LLVKDONJSA-N -1 3 391.391 2.989 20 5 GFBDHM O=[N+]([O-])c1c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc2sccn21 ZINC000826497675 608444319 /nfs/dbraw/zinc/44/43/19/608444319.db2.gz PPSFYZPSSWWDMX-UHFFFAOYSA-N -1 3 394.420 2.778 20 5 GFBDHM O=[N+]([O-])c1c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc2sccn21 ZINC000826497675 608444320 /nfs/dbraw/zinc/44/43/20/608444320.db2.gz PPSFYZPSSWWDMX-UHFFFAOYSA-N -1 3 394.420 2.778 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341868 608565026 /nfs/dbraw/zinc/56/50/26/608565026.db2.gz RSHZMKSUHUAQLV-WDEREUQCSA-N -1 3 399.411 2.663 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341868 608565028 /nfs/dbraw/zinc/56/50/28/608565028.db2.gz RSHZMKSUHUAQLV-WDEREUQCSA-N -1 3 399.411 2.663 20 5 GFBDHM C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470550 609311969 /nfs/dbraw/zinc/31/19/69/609311969.db2.gz JIDIBMZQRSEWGM-SNVBAGLBSA-N -1 3 388.334 2.744 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825552644 609487596 /nfs/dbraw/zinc/48/75/96/609487596.db2.gz BLJAEUDGCSQNTD-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825552644 609487599 /nfs/dbraw/zinc/48/75/99/609487599.db2.gz BLJAEUDGCSQNTD-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM CC(=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000823944143 609508837 /nfs/dbraw/zinc/50/88/37/609508837.db2.gz YOZYQCLLZMSXAY-ZRDIBKRKSA-N -1 3 376.376 2.768 20 5 GFBDHM CC(=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000823944143 609508839 /nfs/dbraw/zinc/50/88/39/609508839.db2.gz YOZYQCLLZMSXAY-ZRDIBKRKSA-N -1 3 376.376 2.768 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000826465149 609617668 /nfs/dbraw/zinc/61/76/68/609617668.db2.gz AQYJUQDKPGOATN-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000826465149 609617669 /nfs/dbraw/zinc/61/76/69/609617669.db2.gz AQYJUQDKPGOATN-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000826465645 609619703 /nfs/dbraw/zinc/61/97/03/609619703.db2.gz VYPYSRWIVHCQQM-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000826465645 609619704 /nfs/dbraw/zinc/61/97/04/609619704.db2.gz VYPYSRWIVHCQQM-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1nn(C)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C(F)(F)F ZINC000820797267 660306631 /nfs/dbraw/zinc/30/66/31/660306631.db2.gz HMNZJDSHRZGKHZ-UHFFFAOYSA-N -1 3 378.332 2.597 20 5 GFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)c(F)c1 ZINC000126052814 654807988 /nfs/dbraw/zinc/80/79/88/654807988.db2.gz YSGIJMAHVSPIPB-LBPRGKRZSA-N -1 3 392.405 2.909 20 5 GFBDHM Cc1nn(CCC(=O)Nc2ccc(Br)cc2[O-])c(C)c1[N+](=O)[O-] ZINC000102331315 655053792 /nfs/dbraw/zinc/05/37/92/655053792.db2.gz XZUDTUBVOUGKHN-UHFFFAOYSA-N -1 3 383.202 2.905 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000108710318 655136978 /nfs/dbraw/zinc/13/69/78/655136978.db2.gz WPSWTLWAJQSQPN-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000108710318 655136983 /nfs/dbraw/zinc/13/69/83/655136983.db2.gz WPSWTLWAJQSQPN-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173523185 655173748 /nfs/dbraw/zinc/17/37/48/655173748.db2.gz KNDICENHCBNMDY-VIFPVBQESA-N -1 3 395.275 2.839 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292670675 655353182 /nfs/dbraw/zinc/35/31/82/655353182.db2.gz AZTXDDPIHDHJGF-JTQLQIEISA-N -1 3 381.357 2.942 20 5 GFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000473844849 655414781 /nfs/dbraw/zinc/41/47/81/655414781.db2.gz CTJKXOSWTLSRTO-GFCCVEGCSA-N -1 3 381.186 2.606 20 5 GFBDHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000746675392 655766432 /nfs/dbraw/zinc/76/64/32/655766432.db2.gz UOOBGWLLSLDLBI-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751394475 655826249 /nfs/dbraw/zinc/82/62/49/655826249.db2.gz VRNNYHVOQPYFRK-BJOHPYRUSA-N -1 3 388.804 2.788 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1cccc(F)c1 ZINC000751485622 655829715 /nfs/dbraw/zinc/82/97/15/655829715.db2.gz IDEYPRUEEZIVBR-VFZGTOFNSA-N -1 3 388.804 2.788 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751485901 655829725 /nfs/dbraw/zinc/82/97/25/655829725.db2.gz IKTANVRSEDPTFJ-VFZGTOFNSA-N -1 3 388.804 2.788 20 5 GFBDHM COc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)ccc1[N+](=O)[O-] ZINC000759164656 655949644 /nfs/dbraw/zinc/94/96/44/655949644.db2.gz YVKQGZSLRHKGKS-UHFFFAOYSA-N -1 3 386.769 2.786 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)ccc1Cl ZINC000765137816 656133364 /nfs/dbraw/zinc/13/33/64/656133364.db2.gz WXAFNHIELSHKNR-UHFFFAOYSA-N -1 3 385.814 2.558 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000799830654 659233714 /nfs/dbraw/zinc/23/37/14/659233714.db2.gz SRYDTQHTIOSKMA-ZDUSSCGKSA-N -1 3 384.841 2.520 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCN2CCCCC2)cc1Cl ZINC000809806799 659939952 /nfs/dbraw/zinc/93/99/52/659939952.db2.gz UHAYRLJIHTVPRK-UHFFFAOYSA-N -1 3 379.841 2.542 20 5 GFBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808258 659940267 /nfs/dbraw/zinc/94/02/67/659940267.db2.gz LWDKDSQJDYEGFG-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816776 659941637 /nfs/dbraw/zinc/94/16/37/659941637.db2.gz OPSYAELUHHBLGA-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccn(C)n1 ZINC000841552532 661297296 /nfs/dbraw/zinc/29/72/96/661297296.db2.gz XGDTWBRZLCRZBF-SSDOTTSWSA-N -1 3 379.225 2.675 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000848509154 661658807 /nfs/dbraw/zinc/65/88/07/661658807.db2.gz UQNIDFPSOINVMH-OLZOCXBDSA-N -1 3 391.852 2.683 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000125517213 551322094 /nfs/dbraw/zinc/32/20/94/551322094.db2.gz CLYXRAWUCCUCHU-FZMZJTMJSA-N -1 3 384.479 2.798 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000167251985 551633108 /nfs/dbraw/zinc/63/31/08/551633108.db2.gz NBHXSKGKMYJAAT-DFBGVHRSSA-N -1 3 386.857 2.874 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000173468104 552086104 /nfs/dbraw/zinc/08/61/04/552086104.db2.gz IANRQYMZUCBXBI-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000184695414 552342882 /nfs/dbraw/zinc/34/28/82/552342882.db2.gz FYPLVPCEMQRTHA-UHFFFAOYSA-N -1 3 379.419 2.931 20 5 GFBDHM Cc1nn(C)c(C(=O)[N-]c2cc(Br)c(F)cc2F)c1[N+](=O)[O-] ZINC000188144775 552437131 /nfs/dbraw/zinc/43/71/31/552437131.db2.gz SWEFUICPOVNDJM-UHFFFAOYSA-N -1 3 375.129 2.930 20 5 GFBDHM COc1cc(CNc2nc3ccc(Br)cn3n2)c([N+](=O)[O-])cc1[O-] ZINC000191152704 552520502 /nfs/dbraw/zinc/52/05/02/552520502.db2.gz YMGVLRDSDMYOAH-UHFFFAOYSA-N -1 3 394.185 2.726 20 5 GFBDHM CC(C)N(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000569158414 564451681 /nfs/dbraw/zinc/45/16/81/564451681.db2.gz UQCNDWOTDBVPOZ-SECBINFHSA-N -1 3 384.285 2.909 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](CO)c3ccccc32)c(Cl)c1 ZINC000372738270 563315504 /nfs/dbraw/zinc/31/55/04/563315504.db2.gz JMKNEBKJHYBDLZ-BONVTDFDSA-N -1 3 382.825 2.747 20 5 GFBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000433462862 563613092 /nfs/dbraw/zinc/61/30/92/563613092.db2.gz MIAVXLMZMKCSDW-UHFFFAOYSA-N -1 3 376.456 2.509 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1OCCN(C)C ZINC000414385678 563732255 /nfs/dbraw/zinc/73/22/55/563732255.db2.gz FSZQPLPUPCLQIV-UHFFFAOYSA-N -1 3 385.467 2.706 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000440669362 563746714 /nfs/dbraw/zinc/74/67/14/563746714.db2.gz FGKADFAROCVNAA-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000292827512 563796394 /nfs/dbraw/zinc/79/63/94/563796394.db2.gz OLGOQJTWDDBDKA-SNVBAGLBSA-N -1 3 381.357 2.942 20 5 GFBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418071 563825861 /nfs/dbraw/zinc/82/58/61/563825861.db2.gz ZOENCDVXHSZYPV-GXSJLCMTSA-N -1 3 384.376 2.689 20 5 GFBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416436807 563828814 /nfs/dbraw/zinc/82/88/14/563828814.db2.gz JNPMYRYFPLENCU-JTQLQIEISA-N -1 3 384.376 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000416510576 563840963 /nfs/dbraw/zinc/84/09/63/563840963.db2.gz VAWXWJCCWGZENY-ZWNOBZJWSA-N -1 3 386.426 2.994 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000416657110 563858751 /nfs/dbraw/zinc/85/87/51/563858751.db2.gz NDZYNFDRMQBCNK-LBPRGKRZSA-N -1 3 385.442 2.661 20 5 GFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040153 563872992 /nfs/dbraw/zinc/87/29/92/563872992.db2.gz RCYRLJPLAQRSFW-VIFPVBQESA-N -1 3 395.275 2.839 20 5 GFBDHM COC(=O)CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000472707604 564231826 /nfs/dbraw/zinc/23/18/26/564231826.db2.gz AVUJCJVLBVXNIT-UHFFFAOYSA-N -1 3 390.483 2.757 20 5 GFBDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862392 564299687 /nfs/dbraw/zinc/29/96/87/564299687.db2.gz XFXFYGANGWQKON-NXEZZACHSA-N -1 3 379.385 2.831 20 5 GFBDHM COc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000451792417 564352157 /nfs/dbraw/zinc/35/21/57/564352157.db2.gz TUJQLHGEMMZJBR-UHFFFAOYSA-N -1 3 377.831 2.500 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1F)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511306287 564366391 /nfs/dbraw/zinc/36/63/91/564366391.db2.gz NHZPUUZMKZAANV-UHFFFAOYSA-N -1 3 393.172 2.747 20 5 GFBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514180552 564446846 /nfs/dbraw/zinc/44/68/46/564446846.db2.gz WOYSZJNGAMDYCC-UHFFFAOYSA-N -1 3 392.361 2.914 20 5 GFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000514896035 564460786 /nfs/dbraw/zinc/46/07/86/564460786.db2.gz WJGIKIJJEDIFTG-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000480902258 564494651 /nfs/dbraw/zinc/49/46/51/564494651.db2.gz UKNHDKCNRACEHC-OAHLLOKOSA-N -1 3 376.862 2.858 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481461880 564512292 /nfs/dbraw/zinc/51/22/92/564512292.db2.gz BXRRLFLAZWJXFC-LLVKDONJSA-N -1 3 391.232 2.914 20 5 GFBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000552590002 564695883 /nfs/dbraw/zinc/69/58/83/564695883.db2.gz QDBYVOLNJBSOGG-UHFFFAOYSA-N -1 3 387.776 2.548 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000490497788 564773970 /nfs/dbraw/zinc/77/39/70/564773970.db2.gz AYLBMXUHHIFDFS-MEDUHNTESA-N -1 3 382.463 2.946 20 5 GFBDHM COC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000555376566 564791951 /nfs/dbraw/zinc/79/19/51/564791951.db2.gz NPGYYVRKLPVYEV-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000497953489 564881750 /nfs/dbraw/zinc/88/17/50/564881750.db2.gz VKXDWBBOUIVBLD-ONGXEEELSA-N -1 3 390.767 2.537 20 5 GFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464418151 564906606 /nfs/dbraw/zinc/90/66/06/564906606.db2.gz GFTQMFVIYRCGJD-UHFFFAOYSA-N -1 3 378.435 2.695 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c(Cl)c1 ZINC000584245320 564926690 /nfs/dbraw/zinc/92/66/90/564926690.db2.gz YEGSMLXHJQHYPX-LBPRGKRZSA-N -1 3 376.862 2.715 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000467402362 564962788 /nfs/dbraw/zinc/96/27/88/564962788.db2.gz RSCDROYEHVTYNT-OAHLLOKOSA-N -1 3 383.495 2.854 20 5 GFBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000561733317 565007446 /nfs/dbraw/zinc/00/74/46/565007446.db2.gz SXGXUHFMFKSHHB-UHFFFAOYSA-N -1 3 380.451 2.670 20 5 GFBDHM O=C(Nc1nccc2cc(Br)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590384443 565185290 /nfs/dbraw/zinc/18/52/90/565185290.db2.gz SQJIOSOTAUHXOW-UHFFFAOYSA-N -1 3 389.165 2.680 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487954 565395542 /nfs/dbraw/zinc/39/55/42/565395542.db2.gz OYNHKEZVAZOGRK-DGCLKSJQSA-N -1 3 382.360 2.682 20 5 GFBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595394018 565472249 /nfs/dbraw/zinc/47/22/49/565472249.db2.gz ZWLYGFOQSSLOFI-VIFPVBQESA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352663 566037132 /nfs/dbraw/zinc/03/71/32/566037132.db2.gz BYCAYZQATKVSSU-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1ccc(NCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737362006 598857242 /nfs/dbraw/zinc/85/72/42/598857242.db2.gz LGSVQGVWFMZBJG-UHFFFAOYSA-N -1 3 398.383 2.906 20 5 GFBDHM Cc1ccc(NCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737362006 598857243 /nfs/dbraw/zinc/85/72/43/598857243.db2.gz LGSVQGVWFMZBJG-UHFFFAOYSA-N -1 3 398.383 2.906 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737032369 598939855 /nfs/dbraw/zinc/93/98/55/598939855.db2.gz KOCXYQFMAQHZPA-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737032369 598939856 /nfs/dbraw/zinc/93/98/56/598939856.db2.gz KOCXYQFMAQHZPA-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736842050 599063878 /nfs/dbraw/zinc/06/38/78/599063878.db2.gz MOYNBHDYRYSBNP-MRXNPFEDSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736842050 599063881 /nfs/dbraw/zinc/06/38/81/599063881.db2.gz MOYNBHDYRYSBNP-MRXNPFEDSA-N -1 3 379.424 2.880 20 5 GFBDHM Cc1cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1[N+](=O)[O-] ZINC000737280281 599161923 /nfs/dbraw/zinc/16/19/23/599161923.db2.gz PFSZOSIKVJJWMN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1[N+](=O)[O-] ZINC000737280281 599161925 /nfs/dbraw/zinc/16/19/25/599161925.db2.gz PFSZOSIKVJJWMN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cccc1[N+](=O)[O-] ZINC000737218543 599163588 /nfs/dbraw/zinc/16/35/88/599163588.db2.gz LFJZMPHDFLNDSP-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cccc1[N+](=O)[O-] ZINC000737218543 599163590 /nfs/dbraw/zinc/16/35/90/599163590.db2.gz LFJZMPHDFLNDSP-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCSc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823651487 599194690 /nfs/dbraw/zinc/19/46/90/599194690.db2.gz MDPKTDSKKLIBJJ-UHFFFAOYSA-N -1 3 375.389 2.903 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCSc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823651487 599194693 /nfs/dbraw/zinc/19/46/93/599194693.db2.gz MDPKTDSKKLIBJJ-UHFFFAOYSA-N -1 3 375.389 2.903 20 5 GFBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737095648 598353038 /nfs/dbraw/zinc/35/30/38/598353038.db2.gz LQWLOHATXQARPX-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM COc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737095648 598353040 /nfs/dbraw/zinc/35/30/40/598353040.db2.gz LQWLOHATXQARPX-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM COc1ccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000737087401 598387498 /nfs/dbraw/zinc/38/74/98/598387498.db2.gz NCOAHDVJKBDOQX-LLVKDONJSA-N -1 3 384.396 2.835 20 5 GFBDHM COc1ccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC000737087401 598387499 /nfs/dbraw/zinc/38/74/99/598387499.db2.gz NCOAHDVJKBDOQX-LLVKDONJSA-N -1 3 384.396 2.835 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000738357580 598390279 /nfs/dbraw/zinc/39/02/79/598390279.db2.gz FSSOYHRDDFVNHS-LBPRGKRZSA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000738357580 598390281 /nfs/dbraw/zinc/39/02/81/598390281.db2.gz FSSOYHRDDFVNHS-LBPRGKRZSA-N -1 3 387.350 2.744 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000735655373 598489375 /nfs/dbraw/zinc/48/93/75/598489375.db2.gz NHMCXUOJYCGKQB-RMKNXTFCSA-N -1 3 381.396 2.983 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000735655373 598489377 /nfs/dbraw/zinc/48/93/77/598489377.db2.gz NHMCXUOJYCGKQB-RMKNXTFCSA-N -1 3 381.396 2.983 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2csc(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000738374658 598498804 /nfs/dbraw/zinc/49/88/04/598498804.db2.gz RROWDPVOSRJIEA-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2csc(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000738374658 598498806 /nfs/dbraw/zinc/49/88/06/598498806.db2.gz RROWDPVOSRJIEA-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM Nc1nc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncc1[N+](=O)[O-] ZINC000737777378 598551775 /nfs/dbraw/zinc/55/17/75/598551775.db2.gz XMWBAWYXZPOZET-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736190540 598608404 /nfs/dbraw/zinc/60/84/04/598608404.db2.gz VXZDUQMBDHRPLB-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736190540 598608406 /nfs/dbraw/zinc/60/84/06/598608406.db2.gz VXZDUQMBDHRPLB-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000737256379 598674008 /nfs/dbraw/zinc/67/40/08/598674008.db2.gz MOHFHCLEELLEEP-HNNXBMFYSA-N -1 3 382.428 2.647 20 5 GFBDHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000737256379 598674010 /nfs/dbraw/zinc/67/40/10/598674010.db2.gz MOHFHCLEELLEEP-HNNXBMFYSA-N -1 3 382.428 2.647 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000737946813 598714188 /nfs/dbraw/zinc/71/41/88/598714188.db2.gz FXDHPXPMZDBQDM-UHFFFAOYSA-N -1 3 385.405 2.653 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000737946813 598714190 /nfs/dbraw/zinc/71/41/90/598714190.db2.gz FXDHPXPMZDBQDM-UHFFFAOYSA-N -1 3 385.405 2.653 20 5 GFBDHM Cc1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000737238426 598807356 /nfs/dbraw/zinc/80/73/56/598807356.db2.gz NBCNTEPSUOMNEN-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504218 599310700 /nfs/dbraw/zinc/31/07/00/599310700.db2.gz BUGIEAITCBRUQX-UHFFFAOYSA-N -1 3 384.421 2.920 20 5 GFBDHM CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504218 599310703 /nfs/dbraw/zinc/31/07/03/599310703.db2.gz BUGIEAITCBRUQX-UHFFFAOYSA-N -1 3 384.421 2.920 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000826252781 607390073 /nfs/dbraw/zinc/39/00/73/607390073.db2.gz RFSLFONYWRZTKX-UHFFFAOYSA-N -1 3 380.320 2.582 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000826252781 607390075 /nfs/dbraw/zinc/39/00/75/607390075.db2.gz RFSLFONYWRZTKX-UHFFFAOYSA-N -1 3 380.320 2.582 20 5 GFBDHM Cc1c(CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236438 607390918 /nfs/dbraw/zinc/39/09/18/607390918.db2.gz LWUPALYGRFNELZ-UHFFFAOYSA-N -1 3 397.391 2.638 20 5 GFBDHM Cc1c(CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236438 607390920 /nfs/dbraw/zinc/39/09/20/607390920.db2.gz LWUPALYGRFNELZ-UHFFFAOYSA-N -1 3 397.391 2.638 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826498673 607451455 /nfs/dbraw/zinc/45/14/55/607451455.db2.gz FCUIMVJXQMDWGD-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826498673 607451457 /nfs/dbraw/zinc/45/14/57/607451457.db2.gz FCUIMVJXQMDWGD-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832097753 601206527 /nfs/dbraw/zinc/20/65/27/601206527.db2.gz KVYIYEYPUQWWDL-KZULUSFZSA-N -1 3 387.392 2.594 20 5 GFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826441957 607622452 /nfs/dbraw/zinc/62/24/52/607622452.db2.gz CNPZBDZAFCHRQZ-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826441957 607622454 /nfs/dbraw/zinc/62/24/54/607622454.db2.gz CNPZBDZAFCHRQZ-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM Cc1c(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000826235342 607660033 /nfs/dbraw/zinc/66/00/33/607660033.db2.gz HVOLWFQPMXYQAA-UHFFFAOYSA-N -1 3 392.419 2.817 20 5 GFBDHM Cc1c(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000826235342 607660035 /nfs/dbraw/zinc/66/00/35/607660035.db2.gz HVOLWFQPMXYQAA-UHFFFAOYSA-N -1 3 392.419 2.817 20 5 GFBDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000833506184 604769665 /nfs/dbraw/zinc/76/96/65/604769665.db2.gz UUMGPUFBBZQQEN-CYBMUJFWSA-N -1 3 375.219 2.667 20 5 GFBDHM Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000822242123 606137688 /nfs/dbraw/zinc/13/76/88/606137688.db2.gz ALEATIVFQYZADV-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000822254748 606137698 /nfs/dbraw/zinc/13/76/98/606137698.db2.gz QICSQXRYEQRJOE-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000822254748 606137700 /nfs/dbraw/zinc/13/77/00/606137700.db2.gz QICSQXRYEQRJOE-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC(OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639908 606303690 /nfs/dbraw/zinc/30/36/90/606303690.db2.gz LOJGPAXTPGSSEO-UHFFFAOYSA-N -1 3 380.408 2.613 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC(OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639908 606303691 /nfs/dbraw/zinc/30/36/91/606303691.db2.gz LOJGPAXTPGSSEO-UHFFFAOYSA-N -1 3 380.408 2.613 20 5 GFBDHM O=C1[C@@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513479 606326218 /nfs/dbraw/zinc/32/62/18/606326218.db2.gz UMCHAGNVKMQAME-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513479 606326220 /nfs/dbraw/zinc/32/62/20/606326220.db2.gz UMCHAGNVKMQAME-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228597 606542763 /nfs/dbraw/zinc/54/27/63/606542763.db2.gz ACNWYTRRDQEJBW-CHWSQXEVSA-N -1 3 396.407 2.728 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822978222 606622941 /nfs/dbraw/zinc/62/29/41/606622941.db2.gz GQAJBJZRUGNCKM-UHFFFAOYSA-N -1 3 389.375 2.894 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822978222 606622943 /nfs/dbraw/zinc/62/29/43/606622943.db2.gz GQAJBJZRUGNCKM-UHFFFAOYSA-N -1 3 389.375 2.894 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2cccnc2OCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823635198 606645115 /nfs/dbraw/zinc/64/51/15/606645115.db2.gz SXLVGGBUSPFUAX-UHFFFAOYSA-N -1 3 395.301 2.723 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822982762 606667033 /nfs/dbraw/zinc/66/70/33/606667033.db2.gz HSHCYEQZMFHFMH-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822982762 606667034 /nfs/dbraw/zinc/66/70/34/606667034.db2.gz HSHCYEQZMFHFMH-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000821574697 606973596 /nfs/dbraw/zinc/97/35/96/606973596.db2.gz SNZDKSGWRVRBTR-UHFFFAOYSA-N -1 3 379.380 2.626 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000821574697 606973598 /nfs/dbraw/zinc/97/35/98/606973598.db2.gz SNZDKSGWRVRBTR-UHFFFAOYSA-N -1 3 379.380 2.626 20 5 GFBDHM Cc1nn(CCCOc2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822501092 606984877 /nfs/dbraw/zinc/98/48/77/606984877.db2.gz VQROQTKMWISVFF-UHFFFAOYSA-N -1 3 379.380 2.902 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821308871 607073256 /nfs/dbraw/zinc/07/32/56/607073256.db2.gz GPTYQDPSVCWSCP-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821308871 607073258 /nfs/dbraw/zinc/07/32/58/607073258.db2.gz GPTYQDPSVCWSCP-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCOc1ccc2[nH]c(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])nc2c1 ZINC000821427016 607162831 /nfs/dbraw/zinc/16/28/31/607162831.db2.gz MFIXPODNWCIESM-UHFFFAOYSA-N -1 3 384.381 2.596 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000820001219 607235609 /nfs/dbraw/zinc/23/56/09/607235609.db2.gz FGZHCQNERJJHLF-UHFFFAOYSA-N -1 3 386.343 2.710 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826453217 607879255 /nfs/dbraw/zinc/87/92/55/607879255.db2.gz BBAJAUHEPOUAIM-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826453217 607879256 /nfs/dbraw/zinc/87/92/56/607879256.db2.gz BBAJAUHEPOUAIM-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1C ZINC000826290399 607968738 /nfs/dbraw/zinc/96/87/38/607968738.db2.gz LGXPKEZLHCJQGD-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1C ZINC000826290399 607968739 /nfs/dbraw/zinc/96/87/39/607968739.db2.gz LGXPKEZLHCJQGD-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826272261 608189315 /nfs/dbraw/zinc/18/93/15/608189315.db2.gz AXYZENNWVDYORX-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826272261 608189316 /nfs/dbraw/zinc/18/93/16/608189316.db2.gz AXYZENNWVDYORX-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824715359 608273890 /nfs/dbraw/zinc/27/38/90/608273890.db2.gz RSXDGBBSVYMRFR-GFCCVEGCSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824715359 608273892 /nfs/dbraw/zinc/27/38/92/608273892.db2.gz RSXDGBBSVYMRFR-GFCCVEGCSA-N -1 3 382.380 2.516 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824492437 608405676 /nfs/dbraw/zinc/40/56/76/608405676.db2.gz YPVYVDQMIDKWMM-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824492437 608405677 /nfs/dbraw/zinc/40/56/77/608405677.db2.gz YPVYVDQMIDKWMM-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826466868 608436478 /nfs/dbraw/zinc/43/64/78/608436478.db2.gz WMSCKFMJZVNPNZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826466868 608436480 /nfs/dbraw/zinc/43/64/80/608436480.db2.gz WMSCKFMJZVNPNZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000825632698 608439501 /nfs/dbraw/zinc/43/95/01/608439501.db2.gz ZTUREXUNLDOXMH-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000825632698 608439503 /nfs/dbraw/zinc/43/95/03/608439503.db2.gz ZTUREXUNLDOXMH-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826460060 608573117 /nfs/dbraw/zinc/57/31/17/608573117.db2.gz LIXONOPYQTVUMO-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826460060 608573118 /nfs/dbraw/zinc/57/31/18/608573118.db2.gz LIXONOPYQTVUMO-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM Cc1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC000826288207 608595802 /nfs/dbraw/zinc/59/58/02/608595802.db2.gz VVMGCHTYTSMQDC-UHFFFAOYSA-N -1 3 397.414 2.545 20 5 GFBDHM Cc1ccc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000826288207 608595806 /nfs/dbraw/zinc/59/58/06/608595806.db2.gz VVMGCHTYTSMQDC-UHFFFAOYSA-N -1 3 397.414 2.545 20 5 GFBDHM Cc1cc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826267475 609284500 /nfs/dbraw/zinc/28/45/00/609284500.db2.gz HPDMGPNGORRCKW-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826267475 609284501 /nfs/dbraw/zinc/28/45/01/609284501.db2.gz HPDMGPNGORRCKW-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424695 609314032 /nfs/dbraw/zinc/31/40/32/609314032.db2.gz YSZLVHGJQGEDBX-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424695 609314034 /nfs/dbraw/zinc/31/40/34/609314034.db2.gz YSZLVHGJQGEDBX-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM COc1cccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c21 ZINC000826217235 609324885 /nfs/dbraw/zinc/32/48/85/609324885.db2.gz DBQQDSJPEGXECA-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM COc1cccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c21 ZINC000826217235 609324888 /nfs/dbraw/zinc/32/48/88/609324888.db2.gz DBQQDSJPEGXECA-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000826439170 609336676 /nfs/dbraw/zinc/33/66/76/609336676.db2.gz HZGZIKPQRCVOIL-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000826439170 609336678 /nfs/dbraw/zinc/33/66/78/609336678.db2.gz HZGZIKPQRCVOIL-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM Cc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000826242214 609394898 /nfs/dbraw/zinc/39/48/98/609394898.db2.gz FRBSPAAKAWEZEE-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826242214 609394900 /nfs/dbraw/zinc/39/49/00/609394900.db2.gz FRBSPAAKAWEZEE-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC3 ZINC000826293643 609434929 /nfs/dbraw/zinc/43/49/29/609434929.db2.gz WVZJTAYYVMZTIJ-NSHDSACASA-N -1 3 390.407 2.929 20 5 GFBDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC3 ZINC000826293643 609434932 /nfs/dbraw/zinc/43/49/32/609434932.db2.gz WVZJTAYYVMZTIJ-NSHDSACASA-N -1 3 390.407 2.929 20 5 GFBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000826272064 609537207 /nfs/dbraw/zinc/53/72/07/609537207.db2.gz SINYGWMSEDUBPJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000826272064 609537210 /nfs/dbraw/zinc/53/72/10/609537210.db2.gz SINYGWMSEDUBPJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)N(C)C1CC1 ZINC000830371381 660650748 /nfs/dbraw/zinc/65/07/48/660650748.db2.gz APNMDUDGNNVKOH-QMMMGPOBSA-N -1 3 382.269 2.663 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127826906 654835200 /nfs/dbraw/zinc/83/52/00/654835200.db2.gz AHFLAUMKAXZLSY-SMDDNHRTSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cs1 ZINC000066575893 654906534 /nfs/dbraw/zinc/90/65/34/654906534.db2.gz YHSSCBRABVMTRU-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1Br ZINC000763376426 656081221 /nfs/dbraw/zinc/08/12/21/656081221.db2.gz WXRKWWKYMJDBDR-ZETCQYMHSA-N -1 3 385.186 2.823 20 5 GFBDHM Cc1ccsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790835372 658031015 /nfs/dbraw/zinc/03/10/15/658031015.db2.gz YGBRTCDXQJNDBR-UHFFFAOYSA-N -1 3 385.423 2.968 20 5 GFBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1C ZINC000800930230 659352048 /nfs/dbraw/zinc/35/20/48/659352048.db2.gz HQTJREUDVFVIEM-UHFFFAOYSA-N -1 3 387.801 2.564 20 5 GFBDHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000809390952 659926116 /nfs/dbraw/zinc/92/61/16/659926116.db2.gz LBXXIHULKRHWFD-UHFFFAOYSA-N -1 3 396.296 2.912 20 5 GFBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809816775 659941616 /nfs/dbraw/zinc/94/16/16/659941616.db2.gz OPSYAELUHHBLGA-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000815003334 660100722 /nfs/dbraw/zinc/10/07/22/660100722.db2.gz OZBYVJZAFYQXNC-LLVKDONJSA-N -1 3 393.868 2.786 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(C)C ZINC000841569520 661304630 /nfs/dbraw/zinc/30/46/30/661304630.db2.gz AJTSBGYSPQXXQV-LLVKDONJSA-N -1 3 395.275 2.697 20 5 GFBDHM Nc1c(C(=O)NCc2ccc([O-])c(Br)c2)cc(F)cc1[N+](=O)[O-] ZINC000151528346 551415397 /nfs/dbraw/zinc/41/53/97/551415397.db2.gz VPNZZCPJQNUEPP-UHFFFAOYSA-N -1 3 384.161 2.714 20 5 GFBDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000159243857 551562434 /nfs/dbraw/zinc/56/24/34/551562434.db2.gz UKFZVNDVUVTJII-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183039265 552299154 /nfs/dbraw/zinc/29/91/54/552299154.db2.gz GZYMMSZXNLMEKP-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000184561218 552338736 /nfs/dbraw/zinc/33/87/36/552338736.db2.gz UBNDRVQEJFJDAW-UHFFFAOYSA-N -1 3 381.357 2.690 20 5 GFBDHM O=C([N-]OC[C@H]1CCOC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000188337954 552442776 /nfs/dbraw/zinc/44/27/76/552442776.db2.gz NEOJMULMYGUKRQ-ZETCQYMHSA-N -1 3 379.594 2.709 20 5 GFBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000191368050 552526591 /nfs/dbraw/zinc/52/65/91/552526591.db2.gz HWHYTCAHPSVLMV-SNVBAGLBSA-N -1 3 389.886 2.939 20 5 GFBDHM CCc1ccccc1[C@@H](N)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457199 563263719 /nfs/dbraw/zinc/26/37/19/563263719.db2.gz HSELFQJFGXHPHF-AWEZNQCLSA-N -1 3 383.857 2.789 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000326198676 563454531 /nfs/dbraw/zinc/45/45/31/563454531.db2.gz VCLYOIPUUJZQAH-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000291864999 563762272 /nfs/dbraw/zinc/76/22/72/563762272.db2.gz FLKCVZGMIQFXFQ-ZBEGNZNMSA-N -1 3 382.463 2.778 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000416457733 563831390 /nfs/dbraw/zinc/83/13/90/563831390.db2.gz OSIGASNOLDWIIL-VHSXEESVSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000416543583 563845664 /nfs/dbraw/zinc/84/56/64/563845664.db2.gz GVCOXJYUOAFFDO-GFCCVEGCSA-N -1 3 382.825 2.703 20 5 GFBDHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000416614964 563853844 /nfs/dbraw/zinc/85/38/44/563853844.db2.gz IZTJMCGSYHKMGO-VIFPVBQESA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccs2)c(Br)c1 ZINC000446968810 563871754 /nfs/dbraw/zinc/87/17/54/563871754.db2.gz ASBOZTHSZJYFRF-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472191475 564215831 /nfs/dbraw/zinc/21/58/31/564215831.db2.gz KNSFFJMRTBUVAX-UHFFFAOYSA-N -1 3 395.275 2.577 20 5 GFBDHM COCCCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000509588331 564304824 /nfs/dbraw/zinc/30/48/24/564304824.db2.gz ZHFZMDZKPGDQHK-UHFFFAOYSA-N -1 3 386.451 2.550 20 5 GFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000511338487 564368380 /nfs/dbraw/zinc/36/83/80/564368380.db2.gz RQNGRTWTLFYVTA-UHFFFAOYSA-N -1 3 379.145 2.818 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCNc1ccccc1[N+](=O)[O-] ZINC000477308326 564372770 /nfs/dbraw/zinc/37/27/70/564372770.db2.gz FEKWZCNVWJZVSW-UHFFFAOYSA-N -1 3 394.225 2.834 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000451968889 564374380 /nfs/dbraw/zinc/37/43/80/564374380.db2.gz VAWXWJCCWGZENY-MFKMUULPSA-N -1 3 386.426 2.994 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000544616978 564390428 /nfs/dbraw/zinc/39/04/28/564390428.db2.gz JPCORVOHGYAFHR-UHFFFAOYSA-N -1 3 383.813 2.765 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000481063004 564502197 /nfs/dbraw/zinc/50/21/97/564502197.db2.gz WEGFWGHMTAJFEZ-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=C([N-]c1nc(-c2ccc(Br)cn2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000549818411 564606738 /nfs/dbraw/zinc/60/67/38/564606738.db2.gz DJFOLCQBUPTIML-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539294 564725111 /nfs/dbraw/zinc/72/51/11/564725111.db2.gz ZBLZAJKBUPOPAS-XHDPSFHLSA-N -1 3 390.845 2.648 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000527361879 564742046 /nfs/dbraw/zinc/74/20/46/564742046.db2.gz FWFFVSOUQVKSAI-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1OCCc2sccc21 ZINC000490510330 564775031 /nfs/dbraw/zinc/77/50/31/564775031.db2.gz RYRKIDHRVURECV-PSLIRLAXSA-N -1 3 386.426 2.776 20 5 GFBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000490548835 564776894 /nfs/dbraw/zinc/77/68/94/564776894.db2.gz NMUZZWOQXBUCCA-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM COCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000581678053 564813518 /nfs/dbraw/zinc/81/35/18/564813518.db2.gz YVNCISLDLFNHHU-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000462115778 564821256 /nfs/dbraw/zinc/82/12/56/564821256.db2.gz DIJZVXXZZVLDDT-ZDUSSCGKSA-N -1 3 382.360 2.707 20 5 GFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000584497704 565084152 /nfs/dbraw/zinc/08/41/52/565084152.db2.gz HMBXYNQDLYLERS-CQSZACIVSA-N -1 3 388.442 2.834 20 5 GFBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000584834819 565100434 /nfs/dbraw/zinc/10/04/34/565100434.db2.gz YNSMZOGZOCXXRZ-ZDUSSCGKSA-N -1 3 397.225 2.592 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)nc1 ZINC000593572221 565343611 /nfs/dbraw/zinc/34/36/11/565343611.db2.gz FYHPLUAJCWBFOE-ZDUSSCGKSA-N -1 3 383.813 2.835 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000597841225 565577613 /nfs/dbraw/zinc/57/76/13/565577613.db2.gz FCZUIKOCULDRJA-LBPRGKRZSA-N -1 3 382.829 2.976 20 5 GFBDHM COCCOCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000599176708 565660368 /nfs/dbraw/zinc/66/03/68/565660368.db2.gz ZCAZTPOCNKJYLS-UHFFFAOYSA-N -1 3 386.451 2.966 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000609598212 566046983 /nfs/dbraw/zinc/04/69/83/566046983.db2.gz UEKYDIUOBKKGOB-HNNXBMFYSA-N -1 3 382.825 2.841 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CCC2)c(C(F)(F)F)c1 ZINC000613201128 566188860 /nfs/dbraw/zinc/18/88/60/566188860.db2.gz IFTWGLDQMMJNGT-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735583309 598903508 /nfs/dbraw/zinc/90/35/08/598903508.db2.gz VHMKWMDTXQVVQK-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735583309 598903510 /nfs/dbraw/zinc/90/35/10/598903510.db2.gz VHMKWMDTXQVVQK-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM Cc1cccc(C2(O)CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1C ZINC000822299184 599048210 /nfs/dbraw/zinc/04/82/10/599048210.db2.gz ASAUKAKKWASKBB-UHFFFAOYSA-N -1 3 394.435 2.880 20 5 GFBDHM Cc1cccc(C2(O)CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1C ZINC000822299184 599048212 /nfs/dbraw/zinc/04/82/12/599048212.db2.gz ASAUKAKKWASKBB-UHFFFAOYSA-N -1 3 394.435 2.880 20 5 GFBDHM Cc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1 ZINC000737545375 599064711 /nfs/dbraw/zinc/06/47/11/599064711.db2.gz FEEDAZHMCTTXSF-UHFFFAOYSA-N -1 3 395.335 2.838 20 5 GFBDHM Cc1noc(COc2ccc(Oc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737545375 599064714 /nfs/dbraw/zinc/06/47/14/599064714.db2.gz FEEDAZHMCTTXSF-UHFFFAOYSA-N -1 3 395.335 2.838 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000823645152 599091122 /nfs/dbraw/zinc/09/11/22/599091122.db2.gz OTWUQBTZMCIFQO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000823645152 599091126 /nfs/dbraw/zinc/09/11/26/599091126.db2.gz OTWUQBTZMCIFQO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823629787 599109214 /nfs/dbraw/zinc/10/92/14/599109214.db2.gz HDEJFSZOYKMKQZ-CRAIPNDOSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823629787 599109215 /nfs/dbraw/zinc/10/92/15/599109215.db2.gz HDEJFSZOYKMKQZ-CRAIPNDOSA-N -1 3 380.408 2.867 20 5 GFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823257405 599138385 /nfs/dbraw/zinc/13/83/85/599138385.db2.gz LNVLCXWGMCTPHZ-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823257405 599138386 /nfs/dbraw/zinc/13/83/86/599138386.db2.gz LNVLCXWGMCTPHZ-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM COc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000737111864 599162354 /nfs/dbraw/zinc/16/23/54/599162354.db2.gz OQTIKKWYTWBPNH-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000737111864 599162355 /nfs/dbraw/zinc/16/23/55/599162355.db2.gz OQTIKKWYTWBPNH-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM CSc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821979337 599163734 /nfs/dbraw/zinc/16/37/34/599163734.db2.gz QZRIHFYGCGMFSW-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM CSc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821979337 599163735 /nfs/dbraw/zinc/16/37/35/599163735.db2.gz QZRIHFYGCGMFSW-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM Cc1cc(F)ccc1N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737271182 599231595 /nfs/dbraw/zinc/23/15/95/599231595.db2.gz SRHIAHQUNBRUMS-ZDUSSCGKSA-N -1 3 398.402 2.698 20 5 GFBDHM Cc1cc(F)ccc1N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737271182 599231596 /nfs/dbraw/zinc/23/15/96/599231596.db2.gz SRHIAHQUNBRUMS-ZDUSSCGKSA-N -1 3 398.402 2.698 20 5 GFBDHM C[C@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508669 607263689 /nfs/dbraw/zinc/26/36/89/607263689.db2.gz UWMSRTSWOVQJDE-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508669 607263690 /nfs/dbraw/zinc/26/36/90/607263690.db2.gz UWMSRTSWOVQJDE-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737407395 599260455 /nfs/dbraw/zinc/26/04/55/599260455.db2.gz APOLKRAAZIVZHV-UHFFFAOYSA-N -1 3 390.407 2.577 20 5 GFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737407395 599260457 /nfs/dbraw/zinc/26/04/57/599260457.db2.gz APOLKRAAZIVZHV-UHFFFAOYSA-N -1 3 390.407 2.577 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4sccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000738368035 599266426 /nfs/dbraw/zinc/26/64/26/599266426.db2.gz YYABMUQZXWQYIV-UHFFFAOYSA-N -1 3 379.405 2.947 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4sccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738368035 599266428 /nfs/dbraw/zinc/26/64/28/599266428.db2.gz YYABMUQZXWQYIV-UHFFFAOYSA-N -1 3 379.405 2.947 20 5 GFBDHM O=[N+]([O-])c1cc(F)cc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823634747 607327745 /nfs/dbraw/zinc/32/77/45/607327745.db2.gz LFABJLIOWSSPPL-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(F)cc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823634747 607327746 /nfs/dbraw/zinc/32/77/46/607327746.db2.gz LFABJLIOWSSPPL-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821593659 607328759 /nfs/dbraw/zinc/32/87/59/607328759.db2.gz DJTVTCGMDJZXGG-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821593659 607328760 /nfs/dbraw/zinc/32/87/60/607328760.db2.gz DJTVTCGMDJZXGG-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821593825 607328821 /nfs/dbraw/zinc/32/88/21/607328821.db2.gz LUDPBBQISOVIDI-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821593825 607328822 /nfs/dbraw/zinc/32/88/22/607328822.db2.gz LUDPBBQISOVIDI-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000735660588 598278720 /nfs/dbraw/zinc/27/87/20/598278720.db2.gz DOHGKORGBYIMEX-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000735660588 598278721 /nfs/dbraw/zinc/27/87/21/598278721.db2.gz DOHGKORGBYIMEX-UHFFFAOYSA-N -1 3 398.427 2.696 20 5 GFBDHM CCNc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000736581767 598281450 /nfs/dbraw/zinc/28/14/50/598281450.db2.gz NVZSOPGMFJCROX-UHFFFAOYSA-N -1 3 385.359 2.622 20 5 GFBDHM CCNc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000736581767 598281451 /nfs/dbraw/zinc/28/14/51/598281451.db2.gz NVZSOPGMFJCROX-UHFFFAOYSA-N -1 3 385.359 2.622 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737511831 598339658 /nfs/dbraw/zinc/33/96/58/598339658.db2.gz PEUYNYSYFLDDMJ-CYBMUJFWSA-N -1 3 388.819 2.812 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737511831 598339660 /nfs/dbraw/zinc/33/96/60/598339660.db2.gz PEUYNYSYFLDDMJ-CYBMUJFWSA-N -1 3 388.819 2.812 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737409296 598368209 /nfs/dbraw/zinc/36/82/09/598368209.db2.gz COKFRHAOHXLUCC-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737409296 598368211 /nfs/dbraw/zinc/36/82/11/598368211.db2.gz COKFRHAOHXLUCC-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359374 598467895 /nfs/dbraw/zinc/46/78/95/598467895.db2.gz PZFDYICWWYRACA-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359374 598467896 /nfs/dbraw/zinc/46/78/96/598467896.db2.gz PZFDYICWWYRACA-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCSCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738368066 598512129 /nfs/dbraw/zinc/51/21/29/598512129.db2.gz ZWAPARCLNVYRRC-UHFFFAOYSA-N -1 3 387.421 2.966 20 5 GFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738145518 598576821 /nfs/dbraw/zinc/57/68/21/598576821.db2.gz SHEBRQSMYYVDOI-MRXNPFEDSA-N -1 3 397.370 2.522 20 5 GFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736140190 598747533 /nfs/dbraw/zinc/74/75/33/598747533.db2.gz ZPLFYOUCKZCGSY-ZETCQYMHSA-N -1 3 385.775 2.873 20 5 GFBDHM O=[N+]([O-])c1cnc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c(-c2nnn[n-]2)c1 ZINC000823651219 599298457 /nfs/dbraw/zinc/29/84/57/599298457.db2.gz INFPYUVJCANPJM-UHFFFAOYSA-N -1 3 384.356 2.850 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738370267 599306663 /nfs/dbraw/zinc/30/66/63/599306663.db2.gz TUHRPVPXSAKADZ-GFCCVEGCSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738370267 599306665 /nfs/dbraw/zinc/30/66/65/599306665.db2.gz TUHRPVPXSAKADZ-GFCCVEGCSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3nccn3C(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000823644100 599501826 /nfs/dbraw/zinc/50/18/26/599501826.db2.gz FRHXVLBAZWDDDQ-UHFFFAOYSA-N -1 3 387.310 2.527 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3nccn3C(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000823644100 599501829 /nfs/dbraw/zinc/50/18/29/599501829.db2.gz FRHXVLBAZWDDDQ-UHFFFAOYSA-N -1 3 387.310 2.527 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313312 599538384 /nfs/dbraw/zinc/53/83/84/599538384.db2.gz CRPQHGHQAAWZAU-LBPRGKRZSA-N -1 3 380.408 2.930 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313312 599538387 /nfs/dbraw/zinc/53/83/87/599538387.db2.gz CRPQHGHQAAWZAU-LBPRGKRZSA-N -1 3 380.408 2.930 20 5 GFBDHM Cc1ccccc1[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822351048 599553336 /nfs/dbraw/zinc/55/33/36/599553336.db2.gz KGAOAMVYBYZOEH-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccccc1[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822351048 599553338 /nfs/dbraw/zinc/55/33/38/599553338.db2.gz KGAOAMVYBYZOEH-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1noc(C)c1C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523753 599567791 /nfs/dbraw/zinc/56/77/91/599567791.db2.gz UHFNNJBFWHHZLK-SECBINFHSA-N -1 3 394.395 2.971 20 5 GFBDHM Cc1noc(C)c1C[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523753 599567792 /nfs/dbraw/zinc/56/77/92/599567792.db2.gz UHFNNJBFWHHZLK-SECBINFHSA-N -1 3 394.395 2.971 20 5 GFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820570408 599569745 /nfs/dbraw/zinc/56/97/45/599569745.db2.gz JGUSSNSJFOESQG-ZDUSSCGKSA-N -1 3 397.414 2.797 20 5 GFBDHM Cc1ccc(Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)nn1 ZINC000822267421 599589030 /nfs/dbraw/zinc/58/90/30/599589030.db2.gz SGUJWJVBGPTXNP-UHFFFAOYSA-N -1 3 391.351 2.804 20 5 GFBDHM Cc1ccc(Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)nn1 ZINC000822267421 599589033 /nfs/dbraw/zinc/58/90/33/599589033.db2.gz SGUJWJVBGPTXNP-UHFFFAOYSA-N -1 3 391.351 2.804 20 5 GFBDHM Cc1c(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cccc1[N+](=O)[O-] ZINC000826236461 607428315 /nfs/dbraw/zinc/42/83/15/607428315.db2.gz MZWAKUMKFNOXJE-UHFFFAOYSA-N -1 3 384.421 2.815 20 5 GFBDHM Cc1c(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cccc1[N+](=O)[O-] ZINC000826236461 607428317 /nfs/dbraw/zinc/42/83/17/607428317.db2.gz MZWAKUMKFNOXJE-UHFFFAOYSA-N -1 3 384.421 2.815 20 5 GFBDHM CCNc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000825481330 607446668 /nfs/dbraw/zinc/44/66/68/607446668.db2.gz WWMGXCOBMCFFPG-UHFFFAOYSA-N -1 3 393.407 2.626 20 5 GFBDHM CCNc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825481330 607446669 /nfs/dbraw/zinc/44/66/69/607446669.db2.gz WWMGXCOBMCFFPG-UHFFFAOYSA-N -1 3 393.407 2.626 20 5 GFBDHM Cc1cccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826299905 607522764 /nfs/dbraw/zinc/52/27/64/607522764.db2.gz AQECOFHTJHOZHV-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1cccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826299905 607522765 /nfs/dbraw/zinc/52/27/65/607522765.db2.gz AQECOFHTJHOZHV-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM O=C(Cc1noc2ccccc12)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423882 607523603 /nfs/dbraw/zinc/52/36/03/607523603.db2.gz LEEIMDHCKLGDJF-UHFFFAOYSA-N -1 3 399.754 2.751 20 5 GFBDHM O=C(Cc1noc2ccccc12)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423882 607523604 /nfs/dbraw/zinc/52/36/04/607523604.db2.gz LEEIMDHCKLGDJF-UHFFFAOYSA-N -1 3 399.754 2.751 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000826451025 607525613 /nfs/dbraw/zinc/52/56/13/607525613.db2.gz MRZPQQCTEOEHKK-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000826451025 607525615 /nfs/dbraw/zinc/52/56/15/607525615.db2.gz MRZPQQCTEOEHKK-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000826459474 607769971 /nfs/dbraw/zinc/76/99/71/607769971.db2.gz LFTPNGBSIPKEPP-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823639929 606031232 /nfs/dbraw/zinc/03/12/32/606031232.db2.gz MFKVGXVQNZVSSC-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823639929 606031234 /nfs/dbraw/zinc/03/12/34/606031234.db2.gz MFKVGXVQNZVSSC-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820562983 606143407 /nfs/dbraw/zinc/14/34/07/606143407.db2.gz KVUWGIPMXYSZEW-YBOJIHHZSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820562983 606143409 /nfs/dbraw/zinc/14/34/09/606143409.db2.gz KVUWGIPMXYSZEW-YBOJIHHZSA-N -1 3 386.437 2.710 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823629656 606198688 /nfs/dbraw/zinc/19/86/88/606198688.db2.gz DIZHXLCASGIFJY-SWLSCSKDSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823629656 606198689 /nfs/dbraw/zinc/19/86/89/606198689.db2.gz DIZHXLCASGIFJY-SWLSCSKDSA-N -1 3 386.437 2.929 20 5 GFBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000822665652 606408299 /nfs/dbraw/zinc/40/82/99/606408299.db2.gz VHVZMERUOCVIQW-UHFFFAOYSA-N -1 3 390.359 3.000 20 5 GFBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000822665652 606408301 /nfs/dbraw/zinc/40/83/01/606408301.db2.gz VHVZMERUOCVIQW-UHFFFAOYSA-N -1 3 390.359 3.000 20 5 GFBDHM Cc1ccnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000822373818 606481358 /nfs/dbraw/zinc/48/13/58/606481358.db2.gz DBPDIXGJDMVFDX-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000822373818 606481359 /nfs/dbraw/zinc/48/13/59/606481359.db2.gz DBPDIXGJDMVFDX-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000823103596 606510402 /nfs/dbraw/zinc/51/04/02/606510402.db2.gz JDJXLPMDFSHXAA-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000823103596 606510403 /nfs/dbraw/zinc/51/04/03/606510403.db2.gz JDJXLPMDFSHXAA-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820913877 606588432 /nfs/dbraw/zinc/58/84/32/606588432.db2.gz LLKFYBRVOINBRI-BLLLJJGKSA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913877 606588434 /nfs/dbraw/zinc/58/84/34/606588434.db2.gz LLKFYBRVOINBRI-BLLLJJGKSA-N -1 3 396.407 2.810 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2ccnc(OCC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000823634158 606645155 /nfs/dbraw/zinc/64/51/55/606645155.db2.gz BGYXWZFTXBZVQI-UHFFFAOYSA-N -1 3 395.301 2.723 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000823635514 606645479 /nfs/dbraw/zinc/64/54/79/606645479.db2.gz ZNDOXWSAWNALJX-UHFFFAOYSA-N -1 3 376.380 2.632 20 5 GFBDHM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000820462626 606709557 /nfs/dbraw/zinc/70/95/57/606709557.db2.gz ZBOZPKWCSSGYOX-SSDOTTSWSA-N -1 3 385.775 2.873 20 5 GFBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820294416 606748861 /nfs/dbraw/zinc/74/88/61/606748861.db2.gz SGWFKHPRHRJHGV-ZDUSSCGKSA-N -1 3 397.391 2.718 20 5 GFBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820294416 606748863 /nfs/dbraw/zinc/74/88/63/606748863.db2.gz SGWFKHPRHRJHGV-ZDUSSCGKSA-N -1 3 397.391 2.718 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000823635471 606787747 /nfs/dbraw/zinc/78/77/47/606787747.db2.gz XJSHRKMFMZGDLE-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000823635471 606787749 /nfs/dbraw/zinc/78/77/49/606787749.db2.gz XJSHRKMFMZGDLE-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM Cc1ccc(OC(F)F)c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822263338 606799829 /nfs/dbraw/zinc/79/98/29/606799829.db2.gz MYKHPNNUPMIHTN-UHFFFAOYSA-N -1 3 377.311 2.692 20 5 GFBDHM Cc1ccc(OC(F)F)c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822263338 606799831 /nfs/dbraw/zinc/79/98/31/606799831.db2.gz MYKHPNNUPMIHTN-UHFFFAOYSA-N -1 3 377.311 2.692 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000822200943 606811541 /nfs/dbraw/zinc/81/15/41/606811541.db2.gz JYABKYVUKPQAOR-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000822200943 606811543 /nfs/dbraw/zinc/81/15/43/606811543.db2.gz JYABKYVUKPQAOR-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823640014 606876935 /nfs/dbraw/zinc/87/69/35/606876935.db2.gz PGFIMERBXSGTAI-SNVBAGLBSA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ncccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823640014 606876936 /nfs/dbraw/zinc/87/69/36/606876936.db2.gz PGFIMERBXSGTAI-SNVBAGLBSA-N -1 3 386.803 2.514 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822930435 606944138 /nfs/dbraw/zinc/94/41/38/606944138.db2.gz ZVQZVOHQOUXHJE-YFHOEESVSA-N -1 3 395.375 2.800 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822930435 606944139 /nfs/dbraw/zinc/94/41/39/606944139.db2.gz ZVQZVOHQOUXHJE-YFHOEESVSA-N -1 3 395.375 2.800 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822238779 606947914 /nfs/dbraw/zinc/94/79/14/606947914.db2.gz UOEGHZPNUJYYFA-HNNXBMFYSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822238779 606947916 /nfs/dbraw/zinc/94/79/16/606947916.db2.gz UOEGHZPNUJYYFA-HNNXBMFYSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccn(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822369320 607125931 /nfs/dbraw/zinc/12/59/31/607125931.db2.gz GNGXUFUVAIUJDQ-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM Cc1ccn(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822369320 607125933 /nfs/dbraw/zinc/12/59/33/607125933.db2.gz GNGXUFUVAIUJDQ-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822974621 607193531 /nfs/dbraw/zinc/19/35/31/607193531.db2.gz UYJKYRYONUMNJY-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822974621 607193532 /nfs/dbraw/zinc/19/35/32/607193532.db2.gz UYJKYRYONUMNJY-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823257722 607205375 /nfs/dbraw/zinc/20/53/75/607205375.db2.gz TUJJEKZIXVYTHG-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823257722 607205376 /nfs/dbraw/zinc/20/53/76/607205376.db2.gz TUJJEKZIXVYTHG-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccccc1-c1nnn[n-]1 ZINC000825998920 607847439 /nfs/dbraw/zinc/84/74/39/607847439.db2.gz FKADAEDOIFRBDX-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccccc1-c1nn[n-]n1 ZINC000825998920 607847440 /nfs/dbraw/zinc/84/74/40/607847440.db2.gz FKADAEDOIFRBDX-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826497646 607873443 /nfs/dbraw/zinc/87/34/43/607873443.db2.gz OLDSZDGZMZCYQI-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826497646 607873444 /nfs/dbraw/zinc/87/34/44/607873444.db2.gz OLDSZDGZMZCYQI-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825627337 608106517 /nfs/dbraw/zinc/10/65/17/608106517.db2.gz XIZCLCVOLFBBGR-UHFFFAOYSA-N -1 3 393.363 2.907 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825627337 608106518 /nfs/dbraw/zinc/10/65/18/608106518.db2.gz XIZCLCVOLFBBGR-UHFFFAOYSA-N -1 3 393.363 2.907 20 5 GFBDHM O=C(Cc1ccc(F)c(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826422559 608163786 /nfs/dbraw/zinc/16/37/86/608163786.db2.gz DCLSDULPNKKHFP-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Cc1ccc(F)c(F)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826422559 608163787 /nfs/dbraw/zinc/16/37/87/608163787.db2.gz DCLSDULPNKKHFP-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213814 608242316 /nfs/dbraw/zinc/24/23/16/608242316.db2.gz CZNYFPRIVFGRLM-MEDUHNTESA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213814 608242318 /nfs/dbraw/zinc/24/23/18/608242318.db2.gz CZNYFPRIVFGRLM-MEDUHNTESA-N -1 3 383.412 2.939 20 5 GFBDHM CO[C@@H]1[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144326 608587877 /nfs/dbraw/zinc/58/78/77/608587877.db2.gz GUOBMITTXZSVML-BNGAFQBXSA-N -1 3 383.412 2.795 20 5 GFBDHM CO[C@@H]1[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144326 608587878 /nfs/dbraw/zinc/58/78/78/608587878.db2.gz GUOBMITTXZSVML-BNGAFQBXSA-N -1 3 383.412 2.795 20 5 GFBDHM Cc1cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826266942 609284393 /nfs/dbraw/zinc/28/43/93/609284393.db2.gz IWTJSZSYHBTODO-GFCCVEGCSA-N -1 3 383.364 2.594 20 5 GFBDHM Cc1cc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826266942 609284394 /nfs/dbraw/zinc/28/43/94/609284394.db2.gz IWTJSZSYHBTODO-GFCCVEGCSA-N -1 3 383.364 2.594 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cn4ccccc4c3-c3nnn[n-]3)c2)c1 ZINC000826499586 609313794 /nfs/dbraw/zinc/31/37/94/609313794.db2.gz OHIFQULKWXEIQT-UHFFFAOYSA-N -1 3 386.375 2.939 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cn4ccccc4c3-c3nn[n-]n3)c2)c1 ZINC000826499586 609313795 /nfs/dbraw/zinc/31/37/95/609313795.db2.gz OHIFQULKWXEIQT-UHFFFAOYSA-N -1 3 386.375 2.939 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826468143 609369953 /nfs/dbraw/zinc/36/99/53/609369953.db2.gz CDGGHHPBDDXBQY-UHFFFAOYSA-N -1 3 377.263 2.596 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826468143 609369954 /nfs/dbraw/zinc/36/99/54/609369954.db2.gz CDGGHHPBDDXBQY-UHFFFAOYSA-N -1 3 377.263 2.596 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826278300 609381586 /nfs/dbraw/zinc/38/15/86/609381586.db2.gz WWUMYKPPGKDRPO-UHFFFAOYSA-N -1 3 397.351 2.563 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826278300 609381588 /nfs/dbraw/zinc/38/15/88/609381588.db2.gz WWUMYKPPGKDRPO-UHFFFAOYSA-N -1 3 397.351 2.563 20 5 GFBDHM O=[N+]([O-])c1ccc2ncnc(N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)c2c1 ZINC000826499692 609438486 /nfs/dbraw/zinc/43/84/86/609438486.db2.gz SLVFLZSQBKENSS-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM O=[N+]([O-])c1ccc2ncnc(N(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)c2c1 ZINC000826499692 609438488 /nfs/dbraw/zinc/43/84/88/609438488.db2.gz SLVFLZSQBKENSS-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828374507 660545478 /nfs/dbraw/zinc/54/54/78/660545478.db2.gz UNKVASZLRFZJRQ-XCBNKYQSSA-N -1 3 381.273 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c(Cl)c1 ZINC000125548952 654797479 /nfs/dbraw/zinc/79/74/79/654797479.db2.gz ZWYKYGUTSPKORY-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000128855268 654853088 /nfs/dbraw/zinc/85/30/88/654853088.db2.gz XUDFRVRIFSKBGP-VIFPVBQESA-N -1 3 384.376 2.689 20 5 GFBDHM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000271683741 655091398 /nfs/dbraw/zinc/09/13/98/655091398.db2.gz CKAHHXKLCFIJHJ-UHFFFAOYSA-N -1 3 388.423 2.829 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000173020545 655161802 /nfs/dbraw/zinc/16/18/02/655161802.db2.gz SWBBXVPPWWBOMA-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000276654621 655282541 /nfs/dbraw/zinc/28/25/41/655282541.db2.gz DJJHCNPNDACBGH-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cnn1C ZINC000281135932 655332648 /nfs/dbraw/zinc/33/26/48/655332648.db2.gz JEIQFEAVDIHSLP-SSDOTTSWSA-N -1 3 393.252 2.983 20 5 GFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120366062 655335500 /nfs/dbraw/zinc/33/55/00/655335500.db2.gz PJKNVAJQOYUOBA-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1F ZINC000751434891 655827139 /nfs/dbraw/zinc/82/71/39/655827139.db2.gz JLWDVCMIEVXILK-LBPRGKRZSA-N -1 3 392.767 2.538 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)ccc1Br ZINC000765202530 656136688 /nfs/dbraw/zinc/13/66/88/656136688.db2.gz IETSQDSYHPHJCS-ZETCQYMHSA-N -1 3 385.186 2.823 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000775728921 656675949 /nfs/dbraw/zinc/67/59/49/656675949.db2.gz LNPLZXHHJFWSGB-GFCCVEGCSA-N -1 3 390.845 2.602 20 5 GFBDHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OCC ZINC000784708037 657322928 /nfs/dbraw/zinc/32/29/28/657322928.db2.gz XWHRCIZQAWUNOE-MALLOTDXSA-N -1 3 390.845 2.733 20 5 GFBDHM O=C(c1ccc(O)cc1[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791246735 658071714 /nfs/dbraw/zinc/07/17/14/658071714.db2.gz ZCOURNVHEFKEGZ-UHFFFAOYSA-N -1 3 393.193 2.967 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000791421715 658095504 /nfs/dbraw/zinc/09/55/04/658095504.db2.gz CJBYARFHGMVGFK-RKDXNWHRSA-N -1 3 394.280 2.805 20 5 GFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cnc1C ZINC000794028694 658478850 /nfs/dbraw/zinc/47/88/50/658478850.db2.gz JLSGACVWFBRTBC-UHFFFAOYSA-N -1 3 385.785 2.539 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1 ZINC000805139011 659749134 /nfs/dbraw/zinc/74/91/34/659749134.db2.gz MMOGOQLTFJKXKL-SECBINFHSA-N -1 3 395.300 2.779 20 5 GFBDHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390808 659925655 /nfs/dbraw/zinc/92/56/55/659925655.db2.gz INILBVQIVOPCDO-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809808257 659940181 /nfs/dbraw/zinc/94/01/81/659940181.db2.gz LWDKDSQJDYEGFG-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CS1 ZINC000841558128 661300277 /nfs/dbraw/zinc/30/02/77/661300277.db2.gz HCOSKLDOWXZRMI-SFYZADRCSA-N -1 3 381.273 2.530 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000024485170 551118844 /nfs/dbraw/zinc/11/88/44/551118844.db2.gz SRRFUGZFQBTNBF-GFCCVEGCSA-N -1 3 384.435 2.547 20 5 GFBDHM CN(CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000151596079 551417711 /nfs/dbraw/zinc/41/77/11/551417711.db2.gz NROCIVHYPMAQRM-UHFFFAOYSA-N -1 3 394.225 2.816 20 5 GFBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185794261 552370809 /nfs/dbraw/zinc/37/08/09/552370809.db2.gz CQUTUDFYFJNWJW-UHFFFAOYSA-N -1 3 378.435 2.640 20 5 GFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000192928557 552978499 /nfs/dbraw/zinc/97/84/99/552978499.db2.gz JTTNGQZHKNTYOB-NSHDSACASA-N -1 3 376.843 2.976 20 5 GFBDHM O=C([N-]c1nncn1-c1cccnc1)c1cccc([N+](=O)[O-])c1Br ZINC000377163533 563465406 /nfs/dbraw/zinc/46/54/06/563465406.db2.gz RTEMFPVUHSNLRJ-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM CCCCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000330670828 563516587 /nfs/dbraw/zinc/51/65/87/563516587.db2.gz BZJZBMMKQUAPHV-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430126163 563534519 /nfs/dbraw/zinc/53/45/19/563534519.db2.gz NLNXXKCZJZSUKD-UHFFFAOYSA-N -1 3 389.209 2.998 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000413034419 563680858 /nfs/dbraw/zinc/68/08/58/563680858.db2.gz MOHBQYOYKYFDST-UHFFFAOYSA-N -1 3 396.372 2.590 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000366337565 563805385 /nfs/dbraw/zinc/80/53/85/563805385.db2.gz GSSICOCHEZCPKB-SMDDNHRTSA-N -1 3 392.886 2.581 20 5 GFBDHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366602533 563815410 /nfs/dbraw/zinc/81/54/10/563815410.db2.gz NWQVVCIDJXUZOE-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000416481883 563835973 /nfs/dbraw/zinc/83/59/73/563835973.db2.gz CWOAWMNYZZAWCI-UHFFFAOYSA-N -1 3 395.384 2.981 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000416492881 563838779 /nfs/dbraw/zinc/83/87/79/563838779.db2.gz BQVZWLORSFCZQV-SNVBAGLBSA-N -1 3 382.360 2.709 20 5 GFBDHM NC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000445187493 563845238 /nfs/dbraw/zinc/84/52/38/563845238.db2.gz NIMWAYDKPMNYMS-UHFFFAOYSA-N -1 3 388.174 2.909 20 5 GFBDHM COc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000416550398 563846812 /nfs/dbraw/zinc/84/68/12/563846812.db2.gz QTVDGJNQDXIDNI-LLVKDONJSA-N -1 3 382.825 2.703 20 5 GFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000540321458 564245178 /nfs/dbraw/zinc/24/51/78/564245178.db2.gz RURYVPRFAXYBBT-MRVPVSSYSA-N -1 3 383.289 2.777 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451655587 564336240 /nfs/dbraw/zinc/33/62/40/564336240.db2.gz RGLIIFVVCNNLHW-SECBINFHSA-N -1 3 390.767 2.884 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000480446578 564474527 /nfs/dbraw/zinc/47/45/27/564474527.db2.gz YTLKCJPBCMKTQQ-UHFFFAOYSA-N -1 3 399.213 2.989 20 5 GFBDHM COCCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000481247564 564507622 /nfs/dbraw/zinc/50/76/22/564507622.db2.gz WZFGDLCTVNFWOU-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524290197 564679652 /nfs/dbraw/zinc/67/96/52/564679652.db2.gz QTRKAHJWAKJHSM-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000487296905 564681541 /nfs/dbraw/zinc/68/15/41/564681541.db2.gz PIRDATXIZBMTPT-UHFFFAOYSA-N -1 3 386.817 2.751 20 5 GFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491587019 564793882 /nfs/dbraw/zinc/79/38/82/564793882.db2.gz UBBCMSREGGPKFI-AAEUAGOBSA-N -1 3 378.447 2.695 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CCC2CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493821994 564811058 /nfs/dbraw/zinc/81/10/58/564811058.db2.gz PSEMZHMNTNIFQD-UHFFFAOYSA-N -1 3 393.259 2.753 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CCCCF)cc(Br)c(C)c1[N+](=O)[O-] ZINC000462112019 564820594 /nfs/dbraw/zinc/82/05/94/564820594.db2.gz LUUOEIIIURNPHF-UHFFFAOYSA-N -1 3 399.238 2.702 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CN1CCCC1 ZINC000462543851 564846216 /nfs/dbraw/zinc/84/62/16/564846216.db2.gz BHENFLFPPUCXAX-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000537182424 565054533 /nfs/dbraw/zinc/05/45/33/565054533.db2.gz LZVIUGAGXBWAHR-LLVKDONJSA-N -1 3 376.862 2.715 20 5 GFBDHM O=C([N-]c1ccc2c(c1)C(=O)NCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000618386652 565297764 /nfs/dbraw/zinc/29/77/64/565297764.db2.gz WSPRGLZDNYPNSL-UHFFFAOYSA-N -1 3 396.222 2.957 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)cs1 ZINC000619486676 565344002 /nfs/dbraw/zinc/34/40/02/565344002.db2.gz PFEAFBFQINDBIH-HNNXBMFYSA-N -1 3 385.467 2.972 20 5 GFBDHM O=[N+]([O-])c1ccsc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000619651888 565354345 /nfs/dbraw/zinc/35/43/45/565354345.db2.gz WMUWTJUGRFIQDX-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380740 565471791 /nfs/dbraw/zinc/47/17/91/565471791.db2.gz CDHVMPRQVFLJIQ-NHYWBVRUSA-N -1 3 384.841 2.691 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(C)c1[N+](=O)[O-] ZINC000598714223 565636981 /nfs/dbraw/zinc/63/69/81/565636981.db2.gz RGANFNHUIZIFQP-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCCC1 ZINC000599392106 565676139 /nfs/dbraw/zinc/67/61/39/565676139.db2.gz RCFCMVYYHMCVIK-CYBMUJFWSA-N -1 3 387.889 2.934 20 5 GFBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000599473180 565681954 /nfs/dbraw/zinc/68/19/54/565681954.db2.gz ZYAVIEXJONDBGX-UHFFFAOYSA-N -1 3 380.344 2.651 20 5 GFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085730 565712987 /nfs/dbraw/zinc/71/29/87/565712987.db2.gz OOUKESLSAAENDT-LLVKDONJSA-N -1 3 381.186 2.606 20 5 GFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610490116 566083310 /nfs/dbraw/zinc/08/33/10/566083310.db2.gz BBNIDMYOOZGTKD-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613473555 566198760 /nfs/dbraw/zinc/19/87/60/566198760.db2.gz DAWIJFIHALOVJR-NSHDSACASA-N -1 3 384.435 2.775 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000738368003 599057795 /nfs/dbraw/zinc/05/77/95/599057795.db2.gz YEZKNLILSQZCDH-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000738368003 599057798 /nfs/dbraw/zinc/05/77/98/599057798.db2.gz YEZKNLILSQZCDH-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737368999 599180146 /nfs/dbraw/zinc/18/01/46/599180146.db2.gz PGFGPMDYAWAJPA-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737368999 599180148 /nfs/dbraw/zinc/18/01/48/599180148.db2.gz PGFGPMDYAWAJPA-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737369036 599187199 /nfs/dbraw/zinc/18/71/99/599187199.db2.gz QFGKIUXTBMZADD-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737369036 599187200 /nfs/dbraw/zinc/18/72/00/599187200.db2.gz QFGKIUXTBMZADD-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM CCN(Cc1ccc(OC)c(OC)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821221125 607305404 /nfs/dbraw/zinc/30/54/04/607305404.db2.gz IMRDUYGTWDUBTE-UHFFFAOYSA-N -1 3 384.396 2.819 20 5 GFBDHM CCN(Cc1ccc(OC)c(OC)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821221125 607305405 /nfs/dbraw/zinc/30/54/05/607305405.db2.gz IMRDUYGTWDUBTE-UHFFFAOYSA-N -1 3 384.396 2.819 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000737222268 598274246 /nfs/dbraw/zinc/27/42/46/598274246.db2.gz VYABLONISAEDGL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000737222268 598274248 /nfs/dbraw/zinc/27/42/48/598274248.db2.gz VYABLONISAEDGL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738367499 598315649 /nfs/dbraw/zinc/31/56/49/598315649.db2.gz SPKBLSBPXRJFSN-UHFFFAOYSA-N -1 3 394.313 2.805 20 5 GFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738367499 598315650 /nfs/dbraw/zinc/31/56/50/598315650.db2.gz SPKBLSBPXRJFSN-UHFFFAOYSA-N -1 3 394.313 2.805 20 5 GFBDHM CSc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826230092 607357964 /nfs/dbraw/zinc/35/79/64/607357964.db2.gz DDXAZXGNLCSKQF-UHFFFAOYSA-N -1 3 399.388 2.537 20 5 GFBDHM CSc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826230092 607357966 /nfs/dbraw/zinc/35/79/66/607357966.db2.gz DDXAZXGNLCSKQF-UHFFFAOYSA-N -1 3 399.388 2.537 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738151061 598497612 /nfs/dbraw/zinc/49/76/12/598497612.db2.gz FWNOEUSDLXRSME-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738151061 598497614 /nfs/dbraw/zinc/49/76/14/598497614.db2.gz FWNOEUSDLXRSME-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000737841921 598682814 /nfs/dbraw/zinc/68/28/14/598682814.db2.gz PEGVKICEYXAUON-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000737841921 598682815 /nfs/dbraw/zinc/68/28/15/598682815.db2.gz PEGVKICEYXAUON-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736171868 598735780 /nfs/dbraw/zinc/73/57/80/598735780.db2.gz ZCDVMHKMTZYIPL-NWDGAFQWSA-N -1 3 394.391 2.520 20 5 GFBDHM COc1ccc(OC)c(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)c1 ZINC000737108747 598814876 /nfs/dbraw/zinc/81/48/76/598814876.db2.gz BGPSRBAHWXUSKK-UHFFFAOYSA-N -1 3 396.407 2.961 20 5 GFBDHM COc1ccc(OC)c(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)c1 ZINC000737108747 598814877 /nfs/dbraw/zinc/81/48/77/598814877.db2.gz BGPSRBAHWXUSKK-UHFFFAOYSA-N -1 3 396.407 2.961 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738370531 599398405 /nfs/dbraw/zinc/39/84/05/599398405.db2.gz VFUDMCOOSGWIHN-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738370531 599398406 /nfs/dbraw/zinc/39/84/06/599398406.db2.gz VFUDMCOOSGWIHN-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738221315 599499605 /nfs/dbraw/zinc/49/96/05/599499605.db2.gz GVVXUKCQJLKIJN-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738221315 599499608 /nfs/dbraw/zinc/49/96/08/599499608.db2.gz GVVXUKCQJLKIJN-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821418098 599542875 /nfs/dbraw/zinc/54/28/75/599542875.db2.gz WCSDCUZDZVHIMQ-LLVKDONJSA-N -1 3 382.380 2.665 20 5 GFBDHM CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821418098 599542876 /nfs/dbraw/zinc/54/28/76/599542876.db2.gz WCSDCUZDZVHIMQ-LLVKDONJSA-N -1 3 382.380 2.665 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270961 599558468 /nfs/dbraw/zinc/55/84/68/599558468.db2.gz FTEAQECFKNXBIE-ZDUSSCGKSA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270961 599558472 /nfs/dbraw/zinc/55/84/72/599558472.db2.gz FTEAQECFKNXBIE-ZDUSSCGKSA-N -1 3 396.407 2.730 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826182531 607642647 /nfs/dbraw/zinc/64/26/47/607642647.db2.gz MQJHAOZTHBHFAI-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM C[C@@H](Oc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(=O)[O-] ZINC000833540874 604657664 /nfs/dbraw/zinc/65/76/64/604657664.db2.gz LNSQGDIRHGBFHI-UKRRQHHQSA-N -1 3 386.408 2.528 20 5 GFBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CN1C1CC1 ZINC000833595863 605022014 /nfs/dbraw/zinc/02/20/14/605022014.db2.gz ARUKQBRABKMSLW-VXGBXAGGSA-N -1 3 393.465 2.517 20 5 GFBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Br ZINC000821723553 606139131 /nfs/dbraw/zinc/13/91/31/606139131.db2.gz DUFSIJDTJIWILU-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Br ZINC000821723553 606139134 /nfs/dbraw/zinc/13/91/34/606139134.db2.gz DUFSIJDTJIWILU-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000821122991 606283289 /nfs/dbraw/zinc/28/32/89/606283289.db2.gz GDTUEGWDIZTCLR-UHFFFAOYSA-N -1 3 381.396 2.778 20 5 GFBDHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919661 606309121 /nfs/dbraw/zinc/30/91/21/606309121.db2.gz FHRNUKTXQIMJJI-IRXDYDNUSA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919661 606309122 /nfs/dbraw/zinc/30/91/22/606309122.db2.gz FHRNUKTXQIMJJI-IRXDYDNUSA-N -1 3 396.407 2.730 20 5 GFBDHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640513 606416622 /nfs/dbraw/zinc/41/66/22/606416622.db2.gz JVUVRIYPMYGBCM-SJCJKPOMSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640513 606416625 /nfs/dbraw/zinc/41/66/25/606416625.db2.gz JVUVRIYPMYGBCM-SJCJKPOMSA-N -1 3 396.407 2.648 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822228749 606444202 /nfs/dbraw/zinc/44/42/02/606444202.db2.gz DRFOBNLSTYJDSL-LLVKDONJSA-N -1 3 399.386 2.783 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822228749 606444204 /nfs/dbraw/zinc/44/42/04/606444204.db2.gz DRFOBNLSTYJDSL-LLVKDONJSA-N -1 3 399.386 2.783 20 5 GFBDHM CC(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044352 606471750 /nfs/dbraw/zinc/47/17/50/606471750.db2.gz GCVXEYFUSAXVKG-DIFFPNOSSA-N -1 3 383.412 2.796 20 5 GFBDHM CC(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044352 606471752 /nfs/dbraw/zinc/47/17/52/606471752.db2.gz GCVXEYFUSAXVKG-DIFFPNOSSA-N -1 3 383.412 2.796 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823635262 606482027 /nfs/dbraw/zinc/48/20/27/606482027.db2.gz UQPVJFUYZUDHJR-UHFFFAOYSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823635262 606482029 /nfs/dbraw/zinc/48/20/29/606482029.db2.gz UQPVJFUYZUDHJR-UHFFFAOYSA-N -1 3 383.387 2.995 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821763023 606576382 /nfs/dbraw/zinc/57/63/82/606576382.db2.gz SOACZAVRYDDLQQ-NSHDSACASA-N -1 3 397.395 2.975 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821763023 606576384 /nfs/dbraw/zinc/57/63/84/606576384.db2.gz SOACZAVRYDDLQQ-NSHDSACASA-N -1 3 397.395 2.975 20 5 GFBDHM CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914287 606588798 /nfs/dbraw/zinc/58/87/98/606588798.db2.gz NLFKHMFHHDFGBZ-QGZVFWFLSA-N -1 3 380.408 2.975 20 5 GFBDHM CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914287 606588801 /nfs/dbraw/zinc/58/88/01/606588801.db2.gz NLFKHMFHHDFGBZ-QGZVFWFLSA-N -1 3 380.408 2.975 20 5 GFBDHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920165 606600237 /nfs/dbraw/zinc/60/02/37/606600237.db2.gz MGCFHEXULMEUKR-MRXNPFEDSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920165 606600238 /nfs/dbraw/zinc/60/02/38/606600238.db2.gz MGCFHEXULMEUKR-MRXNPFEDSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820920800 606602131 /nfs/dbraw/zinc/60/21/31/606602131.db2.gz SQNHEQXQSOKXAX-INIZCTEOSA-N -1 3 399.386 2.865 20 5 GFBDHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820920800 606602132 /nfs/dbraw/zinc/60/21/32/606602132.db2.gz SQNHEQXQSOKXAX-INIZCTEOSA-N -1 3 399.386 2.865 20 5 GFBDHM COc1cccc(N2CC[C@H](CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)c1 ZINC000821873168 606645557 /nfs/dbraw/zinc/64/55/57/606645557.db2.gz SGDWAZACROJNLL-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822229202 606686037 /nfs/dbraw/zinc/68/60/37/606686037.db2.gz OWYIPCVCCMPCOV-SECBINFHSA-N -1 3 388.334 2.853 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822229202 606686038 /nfs/dbraw/zinc/68/60/38/606686038.db2.gz OWYIPCVCCMPCOV-SECBINFHSA-N -1 3 388.334 2.853 20 5 GFBDHM COCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821692849 606727414 /nfs/dbraw/zinc/72/74/14/606727414.db2.gz GAFOQRWCBIJURH-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM COCCOc1cc(C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821692849 606727416 /nfs/dbraw/zinc/72/74/16/606727416.db2.gz GAFOQRWCBIJURH-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000823640224 606765859 /nfs/dbraw/zinc/76/58/59/606765859.db2.gz YFVOFSAUWNOFFG-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000823640224 606765860 /nfs/dbraw/zinc/76/58/60/606765860.db2.gz YFVOFSAUWNOFFG-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822200940 606811351 /nfs/dbraw/zinc/81/13/51/606811351.db2.gz JSXNUWSYDDPZKF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822200940 606811353 /nfs/dbraw/zinc/81/13/53/606811353.db2.gz JSXNUWSYDDPZKF-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1nc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822449691 606813312 /nfs/dbraw/zinc/81/33/12/606813312.db2.gz KFFOGQJDLYKONI-UHFFFAOYSA-N -1 3 397.395 2.666 20 5 GFBDHM Cc1nc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822449691 606813314 /nfs/dbraw/zinc/81/33/14/606813314.db2.gz KFFOGQJDLYKONI-UHFFFAOYSA-N -1 3 397.395 2.666 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000822238664 606947940 /nfs/dbraw/zinc/94/79/40/606947940.db2.gz PXPYOOBIFKZMQX-OAHLLOKOSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000822238664 606947941 /nfs/dbraw/zinc/94/79/41/606947941.db2.gz PXPYOOBIFKZMQX-OAHLLOKOSA-N -1 3 396.407 2.863 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823422346 606991040 /nfs/dbraw/zinc/99/10/40/606991040.db2.gz RABUZHNNFAAVLG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823422346 606991042 /nfs/dbraw/zinc/99/10/42/606991042.db2.gz RABUZHNNFAAVLG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000822222278 607051203 /nfs/dbraw/zinc/05/12/03/607051203.db2.gz BCBARDYHBRDLER-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000822222278 607051205 /nfs/dbraw/zinc/05/12/05/607051205.db2.gz BCBARDYHBRDLER-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826401981 607834693 /nfs/dbraw/zinc/83/46/93/607834693.db2.gz KKOKPKLMXRWDIX-ZHACJKMWSA-N -1 3 376.376 2.768 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826401981 607834694 /nfs/dbraw/zinc/83/46/94/607834694.db2.gz KKOKPKLMXRWDIX-ZHACJKMWSA-N -1 3 376.376 2.768 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826272681 607866883 /nfs/dbraw/zinc/86/68/83/607866883.db2.gz WNHQFEYGACQLST-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826272681 607866884 /nfs/dbraw/zinc/86/68/84/607866884.db2.gz WNHQFEYGACQLST-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824489110 607939558 /nfs/dbraw/zinc/93/95/58/607939558.db2.gz IZQVSJNQHSVMHO-LBPRGKRZSA-N -1 3 393.407 2.604 20 5 GFBDHM C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824489110 607939559 /nfs/dbraw/zinc/93/95/59/607939559.db2.gz IZQVSJNQHSVMHO-LBPRGKRZSA-N -1 3 393.407 2.604 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000826497447 608099887 /nfs/dbraw/zinc/09/98/87/608099887.db2.gz HOMKZSUCFUOEQH-AWEZNQCLSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000826497447 608099888 /nfs/dbraw/zinc/09/98/88/608099888.db2.gz HOMKZSUCFUOEQH-AWEZNQCLSA-N -1 3 378.751 2.713 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513967 608105426 /nfs/dbraw/zinc/10/54/26/608105426.db2.gz KYIHFJMAKDZAKU-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513967 608105427 /nfs/dbraw/zinc/10/54/27/608105427.db2.gz KYIHFJMAKDZAKU-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826272564 608182714 /nfs/dbraw/zinc/18/27/14/608182714.db2.gz QBACYHQVEFKPJX-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826272564 608182715 /nfs/dbraw/zinc/18/27/15/608182715.db2.gz QBACYHQVEFKPJX-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826465659 608254675 /nfs/dbraw/zinc/25/46/75/608254675.db2.gz WMLLAQLNMNTJEU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826465659 608254676 /nfs/dbraw/zinc/25/46/76/608254676.db2.gz WMLLAQLNMNTJEU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000826172014 608347091 /nfs/dbraw/zinc/34/70/91/608347091.db2.gz JCRFZNFHHTZAFC-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000826172014 608347092 /nfs/dbraw/zinc/34/70/92/608347092.db2.gz JCRFZNFHHTZAFC-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826408951 608570689 /nfs/dbraw/zinc/57/06/89/608570689.db2.gz BFPDWAKTZBILQB-UHFFFAOYSA-N -1 3 393.407 2.620 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826408951 608570692 /nfs/dbraw/zinc/57/06/92/608570692.db2.gz BFPDWAKTZBILQB-UHFFFAOYSA-N -1 3 393.407 2.620 20 5 GFBDHM COc1ccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826200916 608816967 /nfs/dbraw/zinc/81/69/67/608816967.db2.gz PEOGXWMPGNDUTO-UHFFFAOYSA-N -1 3 396.407 2.639 20 5 GFBDHM COc1ccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826200916 608816970 /nfs/dbraw/zinc/81/69/70/608816970.db2.gz PEOGXWMPGNDUTO-UHFFFAOYSA-N -1 3 396.407 2.639 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826468456 609396297 /nfs/dbraw/zinc/39/62/97/609396297.db2.gz QTYMBKZWBRXEOQ-UHFFFAOYSA-N -1 3 395.253 2.735 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826468456 609396299 /nfs/dbraw/zinc/39/62/99/609396299.db2.gz QTYMBKZWBRXEOQ-UHFFFAOYSA-N -1 3 395.253 2.735 20 5 GFBDHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184060 609397002 /nfs/dbraw/zinc/39/70/02/609397002.db2.gz QPMXCNVCTINICH-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184060 609397004 /nfs/dbraw/zinc/39/70/04/609397004.db2.gz QPMXCNVCTINICH-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823944204 609501424 /nfs/dbraw/zinc/50/14/24/609501424.db2.gz ZWXCOHPPQOGLEG-DHZHZOJOSA-N -1 3 382.355 2.634 20 5 GFBDHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823944204 609501426 /nfs/dbraw/zinc/50/14/26/609501426.db2.gz ZWXCOHPPQOGLEG-DHZHZOJOSA-N -1 3 382.355 2.634 20 5 GFBDHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000121909661 654725205 /nfs/dbraw/zinc/72/52/05/654725205.db2.gz DTLTYPXNXVSLFR-HNNXBMFYSA-N -1 3 388.829 2.644 20 5 GFBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119247818 655295032 /nfs/dbraw/zinc/29/50/32/655295032.db2.gz QNJPYXFOGBPEII-RNCFNFMXSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815625 655578666 /nfs/dbraw/zinc/57/86/66/655578666.db2.gz ZURRKMIBVBUFQN-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM O=Cc1ccc(OCC(=O)Nc2ccc(Br)cc2[O-])c([N+](=O)[O-])c1 ZINC000731607356 655584794 /nfs/dbraw/zinc/58/47/94/655584794.db2.gz IWBURVKGTQUETH-UHFFFAOYSA-N -1 3 395.165 2.893 20 5 GFBDHM CCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000751985576 655837815 /nfs/dbraw/zinc/83/78/15/655837815.db2.gz NNZKYUKUHILGRP-LBPRGKRZSA-N -1 3 378.834 2.648 20 5 GFBDHM CO[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC000786876167 657479614 /nfs/dbraw/zinc/47/96/14/657479614.db2.gz SSWCQOMJVZNEDP-NSHDSACASA-N -1 3 390.767 2.802 20 5 GFBDHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796105322 658892510 /nfs/dbraw/zinc/89/25/10/658892510.db2.gz QKGPDOSONFCIKE-MEDUHNTESA-N -1 3 384.841 2.957 20 5 GFBDHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000796109885 658892720 /nfs/dbraw/zinc/89/27/20/658892720.db2.gz YAYSRNPDWFIWIC-BDJLRTHQSA-N -1 3 384.841 2.957 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226740 659085819 /nfs/dbraw/zinc/08/58/19/659085819.db2.gz DROOSTNZODNJRJ-QWRGUYRKSA-N -1 3 393.868 2.786 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000805142489 659749818 /nfs/dbraw/zinc/74/98/18/659749818.db2.gz UCTOIBDFNUETFN-NSHDSACASA-N -1 3 379.341 2.586 20 5 GFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1nc2ncc(Br)cn2n1 ZINC000813244242 660049786 /nfs/dbraw/zinc/04/97/86/660049786.db2.gz SYJAEUVMHMNXQN-UHFFFAOYSA-N -1 3 397.576 2.701 20 5 GFBDHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419508 661720568 /nfs/dbraw/zinc/72/05/68/661720568.db2.gz OCNKOIAOGBAVRZ-VIFPVBQESA-N -1 3 379.841 2.538 20 5 GFBDHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419505 661720651 /nfs/dbraw/zinc/72/06/51/661720651.db2.gz OCNKOIAOGBAVRZ-SECBINFHSA-N -1 3 379.841 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(Br)c1 ZINC000330750693 563519804 /nfs/dbraw/zinc/51/98/04/563519804.db2.gz BBSQXLZLCBUECU-NSHDSACASA-N -1 3 393.259 2.595 20 5 GFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000155568839 551502837 /nfs/dbraw/zinc/50/28/37/551502837.db2.gz BKXKODPSIMQOOD-SNVBAGLBSA-N -1 3 381.439 2.519 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000158884669 551557878 /nfs/dbraw/zinc/55/78/78/551557878.db2.gz SCEPBOITGDJHNX-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000162261144 551606215 /nfs/dbraw/zinc/60/62/15/551606215.db2.gz WJNJCXKRHQKVDM-INIZCTEOSA-N -1 3 384.841 2.575 20 5 GFBDHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313509 551618461 /nfs/dbraw/zinc/61/84/61/551618461.db2.gz VAVNLGBMAOXPCF-SNVBAGLBSA-N -1 3 383.392 2.622 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173376475 552084586 /nfs/dbraw/zinc/08/45/86/552084586.db2.gz KHCJTPJZKCOLFA-OAHLLOKOSA-N -1 3 385.467 2.972 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000186481155 552388532 /nfs/dbraw/zinc/38/85/32/552388532.db2.gz SKQDPQIPUUIYJN-UHFFFAOYSA-N -1 3 394.833 2.978 20 5 GFBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000420725073 563279719 /nfs/dbraw/zinc/27/97/19/563279719.db2.gz LQXPEKFFVRXQSN-ONGXEEELSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](CO)c3ccccc32)c(Cl)c1 ZINC000372738263 563315306 /nfs/dbraw/zinc/31/53/06/563315306.db2.gz JMKNEBKJHYBDLZ-BMIGLBTASA-N -1 3 382.825 2.747 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000425188131 563409292 /nfs/dbraw/zinc/40/92/92/563409292.db2.gz AOKIBAYLSOTNBM-UHFFFAOYSA-N -1 3 376.381 2.576 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1cccs1 ZINC000326804180 563455670 /nfs/dbraw/zinc/45/56/70/563455670.db2.gz CYUHRQJDQHBHMS-GFCCVEGCSA-N -1 3 384.435 2.873 20 5 GFBDHM Cc1ccnc2nc(C(=O)[N-]c3cc(Br)cc([N+](=O)[O-])c3C)nn21 ZINC000431180213 563555577 /nfs/dbraw/zinc/55/55/77/563555577.db2.gz OJPUWRWNRCBJFG-UHFFFAOYSA-N -1 3 391.185 2.664 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c([N+](=O)[O-])c1 ZINC000439187343 563718800 /nfs/dbraw/zinc/71/88/00/563718800.db2.gz DKZSKSHSUPSPLC-UHFFFAOYSA-N -1 3 378.435 2.833 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077895 563735365 /nfs/dbraw/zinc/73/53/65/563735365.db2.gz KTXFBOJUNPAUMT-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM COC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000414453067 563738920 /nfs/dbraw/zinc/73/89/20/563738920.db2.gz AVFSNSJIQHXQOV-UHFFFAOYSA-N -1 3 384.435 2.736 20 5 GFBDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000443990685 563817555 /nfs/dbraw/zinc/81/75/55/563817555.db2.gz OMPPNKOUZFQUGE-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](O)C(C)C ZINC000416630540 563855401 /nfs/dbraw/zinc/85/54/01/563855401.db2.gz UHODYLYBKYYJRF-DGCLKSJQSA-N -1 3 384.376 2.687 20 5 GFBDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446936250 563870301 /nfs/dbraw/zinc/87/03/01/563870301.db2.gz LGWLCNKSEWAZHI-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCS1 ZINC000447034771 563872776 /nfs/dbraw/zinc/87/27/76/563872776.db2.gz VGLMEKUPVYJBPL-GFCCVEGCSA-N -1 3 395.300 2.921 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1 ZINC000507556058 564231637 /nfs/dbraw/zinc/23/16/37/564231637.db2.gz UREJIEDFZDFVHH-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474289505 564273622 /nfs/dbraw/zinc/27/36/22/564273622.db2.gz BENIIWFMFKKJJA-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000544655492 564392214 /nfs/dbraw/zinc/39/22/14/564392214.db2.gz RMBNGLKZKLRXCF-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000512170295 564395105 /nfs/dbraw/zinc/39/51/05/564395105.db2.gz KLQNFGACOCZPSF-MRVPVSSYSA-N -1 3 390.414 2.852 20 5 GFBDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480720184 564484133 /nfs/dbraw/zinc/48/41/33/564484133.db2.gz IZKBXOFGYXGTSB-JTQLQIEISA-N -1 3 378.834 2.647 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516341578 564499931 /nfs/dbraw/zinc/49/99/31/564499931.db2.gz IWVNFHRJBMQYAX-OAHLLOKOSA-N -1 3 383.857 2.829 20 5 GFBDHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(Br)cc([N+](=O)[O-])c3)nc2n1 ZINC000551670212 564659736 /nfs/dbraw/zinc/65/97/36/564659736.db2.gz UFLCUMKSAABQDY-UHFFFAOYSA-N -1 3 391.185 2.664 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000490497786 564774064 /nfs/dbraw/zinc/77/40/64/564774064.db2.gz AYLBMXUHHIFDFS-BDJLRTHQSA-N -1 3 382.463 2.946 20 5 GFBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493637326 564810117 /nfs/dbraw/zinc/81/01/17/564810117.db2.gz WZGLMGPLXCRPLK-ZETCQYMHSA-N -1 3 381.248 2.751 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CN1CCCC1 ZINC000462543852 564846345 /nfs/dbraw/zinc/84/63/45/564846345.db2.gz BHENFLFPPUCXAX-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM O=C(C[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000464200068 564898289 /nfs/dbraw/zinc/89/82/89/564898289.db2.gz UDLMBIIOEPFQSD-UHFFFAOYSA-N -1 3 382.825 2.593 20 5 GFBDHM COC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000467126906 564956752 /nfs/dbraw/zinc/95/67/52/564956752.db2.gz NGFAEHZAIPIYJQ-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM COC(=O)c1cc(C)nc(NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000561260396 564988986 /nfs/dbraw/zinc/98/89/86/564988986.db2.gz DESKYOBADVYNKJ-UHFFFAOYSA-N -1 3 396.197 2.587 20 5 GFBDHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614171 565050567 /nfs/dbraw/zinc/05/05/67/565050567.db2.gz TWLOJQDNYRIAQT-UPJWGTAASA-N -1 3 389.905 2.893 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC000618179870 565277128 /nfs/dbraw/zinc/27/71/28/565277128.db2.gz CYTOTZXGCSRGKN-GFCCVEGCSA-N -1 3 382.825 2.790 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000619487012 565344571 /nfs/dbraw/zinc/34/45/71/565344571.db2.gz SAYDXEYIWMPKBE-ZDUSSCGKSA-N -1 3 383.451 2.798 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(Br)c1 ZINC000593664493 565353906 /nfs/dbraw/zinc/35/39/06/565353906.db2.gz QPHAHVVFZDWGSG-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM CC(C)(C)c1cc(Br)cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1[O-] ZINC000594381910 565383523 /nfs/dbraw/zinc/38/35/23/565383523.db2.gz QFSJCUXVVZGJCO-UHFFFAOYSA-N -1 3 398.217 2.591 20 5 GFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818144 565425000 /nfs/dbraw/zinc/42/50/00/565425000.db2.gz IGFTYCHIVJLCOE-CYBMUJFWSA-N -1 3 382.360 2.763 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000603975471 565920282 /nfs/dbraw/zinc/92/02/82/565920282.db2.gz CHRZBWHUKZILKM-NWDGAFQWSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000609418307 566039239 /nfs/dbraw/zinc/03/92/39/566039239.db2.gz NHNDTNOVLAZYLP-UHFFFAOYSA-N -1 3 389.227 2.780 20 5 GFBDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611021766 566111161 /nfs/dbraw/zinc/11/11/61/566111161.db2.gz FOSSASWEWFMHSW-FZMZJTMJSA-N -1 3 384.841 2.691 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000738294837 598855785 /nfs/dbraw/zinc/85/57/85/598855785.db2.gz FNVDUOONTKXKKB-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000738294837 598855787 /nfs/dbraw/zinc/85/57/87/598855787.db2.gz FNVDUOONTKXKKB-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821678344 599090401 /nfs/dbraw/zinc/09/04/01/599090401.db2.gz MQULVTYMXKESKN-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821678344 599090404 /nfs/dbraw/zinc/09/04/04/599090404.db2.gz MQULVTYMXKESKN-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737059984 599248777 /nfs/dbraw/zinc/24/87/77/599248777.db2.gz YWNUTGZNAFMTTI-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737059984 599248780 /nfs/dbraw/zinc/24/87/80/599248780.db2.gz YWNUTGZNAFMTTI-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cccc1-c1nnn[n-]1 ZINC000822115357 607321319 /nfs/dbraw/zinc/32/13/19/607321319.db2.gz DDHAEXDLNXCCGF-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cccc1-c1nn[n-]n1 ZINC000822115357 607321320 /nfs/dbraw/zinc/32/13/20/607321320.db2.gz DDHAEXDLNXCCGF-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737220539 598272071 /nfs/dbraw/zinc/27/20/71/598272071.db2.gz BUTPSRRXFLUKCS-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737220539 598272073 /nfs/dbraw/zinc/27/20/73/598272073.db2.gz BUTPSRRXFLUKCS-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735873279 598429397 /nfs/dbraw/zinc/42/93/97/598429397.db2.gz FAAAEMVABIXJRW-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735873279 598429399 /nfs/dbraw/zinc/42/93/99/598429399.db2.gz FAAAEMVABIXJRW-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000738358139 598676606 /nfs/dbraw/zinc/67/66/06/598676606.db2.gz LMRHHEKFPWRVEX-HNNXBMFYSA-N -1 3 394.313 2.637 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000738358139 598676609 /nfs/dbraw/zinc/67/66/09/598676609.db2.gz LMRHHEKFPWRVEX-HNNXBMFYSA-N -1 3 394.313 2.637 20 5 GFBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415432 607365760 /nfs/dbraw/zinc/36/57/60/607365760.db2.gz FTNBLPHPKPVASY-UHFFFAOYSA-N -1 3 393.315 2.561 20 5 GFBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415432 607365761 /nfs/dbraw/zinc/36/57/61/607365761.db2.gz FTNBLPHPKPVASY-UHFFFAOYSA-N -1 3 393.315 2.561 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735912637 598786947 /nfs/dbraw/zinc/78/69/47/598786947.db2.gz HGXJRKUPDRARNF-UHFFFAOYSA-N -1 3 383.364 2.919 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735912637 598786948 /nfs/dbraw/zinc/78/69/48/598786948.db2.gz HGXJRKUPDRARNF-UHFFFAOYSA-N -1 3 383.364 2.919 20 5 GFBDHM COc1cc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000821720856 599526422 /nfs/dbraw/zinc/52/64/22/599526422.db2.gz YTFUZFFYJKCIKW-UHFFFAOYSA-N -1 3 396.407 2.831 20 5 GFBDHM CN(C)[C@@H]1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737358931 599854445 /nfs/dbraw/zinc/85/44/45/599854445.db2.gz NEBXKKBNSGSOKG-CQSZACIVSA-N -1 3 383.404 2.664 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251607 607403082 /nfs/dbraw/zinc/40/30/82/607403082.db2.gz VFEAAKJLPJFGFS-LSDHHAIUSA-N -1 3 397.395 2.621 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251607 607403083 /nfs/dbraw/zinc/40/30/83/607403083.db2.gz VFEAAKJLPJFGFS-LSDHHAIUSA-N -1 3 397.395 2.621 20 5 GFBDHM O=[N+]([O-])c1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)nc1 ZINC000823645198 607467071 /nfs/dbraw/zinc/46/70/71/607467071.db2.gz PEURHBWRISDIBY-UHFFFAOYSA-N -1 3 382.365 2.512 20 5 GFBDHM O=[N+]([O-])c1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)nc1 ZINC000823645198 607467073 /nfs/dbraw/zinc/46/70/73/607467073.db2.gz PEURHBWRISDIBY-UHFFFAOYSA-N -1 3 382.365 2.512 20 5 GFBDHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826460901 607467157 /nfs/dbraw/zinc/46/71/57/607467157.db2.gz XHRAQAVGJYDZJA-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000823630088 607495360 /nfs/dbraw/zinc/49/53/60/607495360.db2.gz QVABTIAZBKSRRX-MRXNPFEDSA-N -1 3 380.408 2.961 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000823630088 607495361 /nfs/dbraw/zinc/49/53/61/607495361.db2.gz QVABTIAZBKSRRX-MRXNPFEDSA-N -1 3 380.408 2.961 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)nc1 ZINC000826450717 607523327 /nfs/dbraw/zinc/52/33/27/607523327.db2.gz ACBIOUYQFYHRIO-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)nc1 ZINC000826450717 607523329 /nfs/dbraw/zinc/52/33/29/607523329.db2.gz ACBIOUYQFYHRIO-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825621020 607669817 /nfs/dbraw/zinc/66/98/17/607669817.db2.gz NBQDPXNWTHFMPG-UHFFFAOYSA-N -1 3 382.380 2.663 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825621020 607669818 /nfs/dbraw/zinc/66/98/18/607669818.db2.gz NBQDPXNWTHFMPG-UHFFFAOYSA-N -1 3 382.380 2.663 20 5 GFBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820926328 606043414 /nfs/dbraw/zinc/04/34/14/606043414.db2.gz QXGCRTQDYOMJIN-HNNXBMFYSA-N -1 3 383.412 2.940 20 5 GFBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820926328 606043417 /nfs/dbraw/zinc/04/34/17/606043417.db2.gz QXGCRTQDYOMJIN-HNNXBMFYSA-N -1 3 383.412 2.940 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(-c4nnn[n-]4)cs3)[n+]2[O-])c1 ZINC000823644087 606307208 /nfs/dbraw/zinc/30/72/08/606307208.db2.gz FKEZBOHBCUDSHN-SNAWJCMRSA-N -1 3 393.388 2.702 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(-c4nn[n-]n4)cs3)[n+]2[O-])c1 ZINC000823644087 606307209 /nfs/dbraw/zinc/30/72/09/606307209.db2.gz FKEZBOHBCUDSHN-SNAWJCMRSA-N -1 3 393.388 2.702 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822228846 606442337 /nfs/dbraw/zinc/44/23/37/606442337.db2.gz GXOMKZMWHNKUJC-NSHDSACASA-N -1 3 399.386 2.783 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822228846 606442339 /nfs/dbraw/zinc/44/23/39/606442339.db2.gz GXOMKZMWHNKUJC-NSHDSACASA-N -1 3 399.386 2.783 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822228897 606444361 /nfs/dbraw/zinc/44/43/61/606444361.db2.gz IKKRJRSKYFWDIK-CYBMUJFWSA-N -1 3 395.423 2.986 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822228897 606444362 /nfs/dbraw/zinc/44/43/62/606444362.db2.gz IKKRJRSKYFWDIK-CYBMUJFWSA-N -1 3 395.423 2.986 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nnn[n-]1 ZINC000823634141 606644373 /nfs/dbraw/zinc/64/43/73/606644373.db2.gz AYOXTCYBJDWCIT-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM CN(CCC1CCOCC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599332 606875628 /nfs/dbraw/zinc/87/56/28/606875628.db2.gz PDXNWTXOYPZYNB-UHFFFAOYSA-N -1 3 383.412 2.576 20 5 GFBDHM CN(CCC1CCOCC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599332 606875629 /nfs/dbraw/zinc/87/56/29/606875629.db2.gz PDXNWTXOYPZYNB-UHFFFAOYSA-N -1 3 383.412 2.576 20 5 GFBDHM CCS[C@@H](C)c1noc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000821449317 607043024 /nfs/dbraw/zinc/04/30/24/607043024.db2.gz SAJBIIYBNKZEOE-VIFPVBQESA-N -1 3 390.429 2.608 20 5 GFBDHM CCS[C@@H](C)c1noc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000821449317 607043026 /nfs/dbraw/zinc/04/30/26/607043026.db2.gz SAJBIIYBNKZEOE-VIFPVBQESA-N -1 3 390.429 2.608 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823418590 607072988 /nfs/dbraw/zinc/07/29/88/607072988.db2.gz SJRNVMYFLBGSMV-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823418590 607072990 /nfs/dbraw/zinc/07/29/90/607072990.db2.gz SJRNVMYFLBGSMV-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823087026 607193390 /nfs/dbraw/zinc/19/33/90/607193390.db2.gz CMUCDGYREPTMDJ-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823087026 607193391 /nfs/dbraw/zinc/19/33/91/607193391.db2.gz CMUCDGYREPTMDJ-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C1[C@@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478316 607817110 /nfs/dbraw/zinc/81/71/10/607817110.db2.gz YYZBEAMDZQREOM-INIZCTEOSA-N -1 3 396.432 2.814 20 5 GFBDHM O=C1[C@@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478316 607817111 /nfs/dbraw/zinc/81/71/11/607817111.db2.gz YYZBEAMDZQREOM-INIZCTEOSA-N -1 3 396.432 2.814 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826272431 607863508 /nfs/dbraw/zinc/86/35/08/607863508.db2.gz JANNPNSKCBSWOB-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826272431 607863509 /nfs/dbraw/zinc/86/35/09/607863509.db2.gz JANNPNSKCBSWOB-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM CSc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000826230235 607950267 /nfs/dbraw/zinc/95/02/67/607950267.db2.gz KPWAHAXSBQKTBM-UHFFFAOYSA-N -1 3 382.405 2.700 20 5 GFBDHM CSc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000826230235 607950268 /nfs/dbraw/zinc/95/02/68/607950268.db2.gz KPWAHAXSBQKTBM-UHFFFAOYSA-N -1 3 382.405 2.700 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826453870 607962212 /nfs/dbraw/zinc/96/22/12/607962212.db2.gz BWEJWCAHLWUZRL-UHFFFAOYSA-N -1 3 383.343 2.504 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826453870 607962213 /nfs/dbraw/zinc/96/22/13/607962213.db2.gz BWEJWCAHLWUZRL-UHFFFAOYSA-N -1 3 383.343 2.504 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)n1 ZINC000826450909 608162333 /nfs/dbraw/zinc/16/23/33/608162333.db2.gz INLPJNDJDRXWIV-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc(Cl)n1 ZINC000826450909 608162335 /nfs/dbraw/zinc/16/23/35/608162335.db2.gz INLPJNDJDRXWIV-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM Cc1ccn2ncc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)c2c1 ZINC000826308670 608343448 /nfs/dbraw/zinc/34/34/48/608343448.db2.gz KJPONGNUEHYILK-UHFFFAOYSA-N -1 3 398.770 2.637 20 5 GFBDHM Cc1ccn2ncc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)c2c1 ZINC000826308670 608343451 /nfs/dbraw/zinc/34/34/51/608343451.db2.gz KJPONGNUEHYILK-UHFFFAOYSA-N -1 3 398.770 2.637 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826171873 608350696 /nfs/dbraw/zinc/35/06/96/608350696.db2.gz BPIWDNSLLOGZFM-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826171873 608350698 /nfs/dbraw/zinc/35/06/98/608350698.db2.gz BPIWDNSLLOGZFM-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826421761 608455319 /nfs/dbraw/zinc/45/53/19/608455319.db2.gz YACOPMULDKHOBY-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826421761 608455321 /nfs/dbraw/zinc/45/53/21/608455321.db2.gz YACOPMULDKHOBY-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](OC(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499350 609317945 /nfs/dbraw/zinc/31/79/45/609317945.db2.gz FRCCYKVWBHJWTC-SNVBAGLBSA-N -1 3 391.338 2.531 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](OC(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499350 609317947 /nfs/dbraw/zinc/31/79/47/609317947.db2.gz FRCCYKVWBHJWTC-SNVBAGLBSA-N -1 3 391.338 2.531 20 5 GFBDHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001516 654892444 /nfs/dbraw/zinc/89/24/44/654892444.db2.gz PMQUBLLJBHNAQY-TXEJJXNPSA-N -1 3 375.516 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCSCC2)c(Br)c1 ZINC000269498394 655011451 /nfs/dbraw/zinc/01/14/51/655011451.db2.gz WCHLJSVDCSLWSR-UHFFFAOYSA-N -1 3 381.273 2.531 20 5 GFBDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271747548 655093544 /nfs/dbraw/zinc/09/35/44/655093544.db2.gz YKJWUBJNCZVCTG-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1 ZINC000159317234 655113110 /nfs/dbraw/zinc/11/31/10/655113110.db2.gz DRSKLQBWIOFBEK-CYBMUJFWSA-N -1 3 391.232 2.914 20 5 GFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1[N+](=O)[O-] ZINC000165466660 655140230 /nfs/dbraw/zinc/14/02/30/655140230.db2.gz AJOBPBQOUDXNHW-UHFFFAOYSA-N -1 3 399.841 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000114742466 655228258 /nfs/dbraw/zinc/22/82/58/655228258.db2.gz LEZYAPHRLIMIDG-AWEZNQCLSA-N -1 3 381.479 2.599 20 5 GFBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416582054 655404581 /nfs/dbraw/zinc/40/45/81/655404581.db2.gz ULCJRXOPFKCWFC-ZBFHGGJFSA-N -1 3 382.825 2.839 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000742322664 655715709 /nfs/dbraw/zinc/71/57/09/655715709.db2.gz VRZKWXPOOKPVLF-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742331347 655716208 /nfs/dbraw/zinc/71/62/08/655716208.db2.gz YUYLCNXLKJLCNA-SCZZXKLOSA-N -1 3 395.300 2.920 20 5 GFBDHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746624442 655765187 /nfs/dbraw/zinc/76/51/87/655765187.db2.gz GWKUMFMIYLEADY-SECBINFHSA-N -1 3 389.227 2.860 20 5 GFBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1Cl ZINC000814217044 660074614 /nfs/dbraw/zinc/07/46/14/660074614.db2.gz NVYOWTIWBVLEPO-UHFFFAOYSA-N -1 3 376.799 2.897 20 5 GFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1(F)F ZINC000851820096 661834678 /nfs/dbraw/zinc/83/46/78/661834678.db2.gz QSQSITVNFPMOTI-JTQLQIEISA-N -1 3 399.213 2.927 20 5 GFBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820482 661834799 /nfs/dbraw/zinc/83/47/99/661834799.db2.gz ALKWIXQFWHBTIN-SECBINFHSA-N -1 3 382.269 2.664 20 5 GFBDHM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OCC ZINC000859257150 662148235 /nfs/dbraw/zinc/14/82/35/662148235.db2.gz HTBHFGPUXVVDHT-LLVKDONJSA-N -1 3 395.275 2.841 20 5 GFBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000055620351 551173527 /nfs/dbraw/zinc/17/35/27/551173527.db2.gz NSFAEFLUONKSHA-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000121718074 551240833 /nfs/dbraw/zinc/24/08/33/551240833.db2.gz ZGDPGYVYCPWPRS-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM Cc1nnc([N-]C(=O)c2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000125683161 551322963 /nfs/dbraw/zinc/32/29/63/551322963.db2.gz UXSWKXQRJDNWJT-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000130287047 551362761 /nfs/dbraw/zinc/36/27/61/551362761.db2.gz VEEOFSPBFNFAOH-JTQLQIEISA-N -1 3 389.886 2.939 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000162310029 551606596 /nfs/dbraw/zinc/60/65/96/551606596.db2.gz IIZJMCSFPKBDOG-MRXNPFEDSA-N -1 3 384.841 2.575 20 5 GFBDHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000185130561 552355139 /nfs/dbraw/zinc/35/51/39/552355139.db2.gz YWJNMRSSTFWEOG-UHFFFAOYSA-N -1 3 380.451 2.757 20 5 GFBDHM Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)n[n-]1 ZINC000192371243 552560799 /nfs/dbraw/zinc/56/07/99/552560799.db2.gz OAIZJFULAFYXGO-UHFFFAOYSA-N -1 3 391.185 2.733 20 5 GFBDHM Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)[n-]n1 ZINC000192371243 552560802 /nfs/dbraw/zinc/56/08/02/552560802.db2.gz OAIZJFULAFYXGO-UHFFFAOYSA-N -1 3 391.185 2.733 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000194341849 553018057 /nfs/dbraw/zinc/01/80/57/553018057.db2.gz CIVCHJWTSIXQBO-NSHDSACASA-N -1 3 383.451 2.579 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000246698725 553112157 /nfs/dbraw/zinc/11/21/57/553112157.db2.gz NBHXSKGKMYJAAT-NILFDRSVSA-N -1 3 386.857 2.874 20 5 GFBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cc(Cn2cccn2)on1 ZINC000370672186 563251987 /nfs/dbraw/zinc/25/19/87/563251987.db2.gz CAODDWZPXNBRRE-UHFFFAOYSA-N -1 3 392.169 2.842 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)ccc1Cl ZINC000280192519 563326475 /nfs/dbraw/zinc/32/64/75/563326475.db2.gz DGJPAJLHSPSJHJ-VIFPVBQESA-N -1 3 386.817 2.666 20 5 GFBDHM O=C(NCCNc1ccc(Br)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000301202910 563396598 /nfs/dbraw/zinc/39/65/98/563396598.db2.gz XINCPYAWNSWSGB-UHFFFAOYSA-N -1 3 380.198 2.905 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000425196796 563410037 /nfs/dbraw/zinc/41/00/37/563410037.db2.gz VFZYSGNHSPEDFN-UHFFFAOYSA-N -1 3 376.381 2.576 20 5 GFBDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000285712271 563533374 /nfs/dbraw/zinc/53/33/74/563533374.db2.gz TWSDLEYZISPGGU-VHSXEESVSA-N -1 3 382.360 2.565 20 5 GFBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000433841542 563621155 /nfs/dbraw/zinc/62/11/55/563621155.db2.gz LFQWSUKOBILFFP-UHFFFAOYSA-N -1 3 384.483 2.757 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2n1CCCC2 ZINC000362487801 563707630 /nfs/dbraw/zinc/70/76/30/563707630.db2.gz NZQPDUIDGWNWNX-UHFFFAOYSA-N -1 3 384.845 2.568 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085114 563736221 /nfs/dbraw/zinc/73/62/21/563736221.db2.gz ZIGZBAQYCZGUOA-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394786 563822691 /nfs/dbraw/zinc/82/26/91/563822691.db2.gz ZLKFYZROBGVSBN-ONGXEEELSA-N -1 3 382.360 2.850 20 5 GFBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416627988 563854862 /nfs/dbraw/zinc/85/48/62/563854862.db2.gz WMVYBFOGYZDFMV-UHFFFAOYSA-N -1 3 395.275 2.839 20 5 GFBDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030430 563872685 /nfs/dbraw/zinc/87/26/85/563872685.db2.gz UVVAUOUDJABNFJ-NEPJUHHUSA-N -1 3 382.360 2.705 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nnc(C(F)(F)F)[n-]1 ZINC000447811492 563887315 /nfs/dbraw/zinc/88/73/15/563887315.db2.gz NXWLFKBUEQWRTJ-UHFFFAOYSA-N -1 3 379.682 2.784 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000447811492 563887319 /nfs/dbraw/zinc/88/73/19/563887319.db2.gz NXWLFKBUEQWRTJ-UHFFFAOYSA-N -1 3 379.682 2.784 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000447811492 563887322 /nfs/dbraw/zinc/88/73/22/563887322.db2.gz NXWLFKBUEQWRTJ-UHFFFAOYSA-N -1 3 379.682 2.784 20 5 GFBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683546 564339515 /nfs/dbraw/zinc/33/95/15/564339515.db2.gz UXJLLBMFUSLTDT-BXKDBHETSA-N -1 3 384.376 2.953 20 5 GFBDHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000451847357 564358573 /nfs/dbraw/zinc/35/85/73/564358573.db2.gz YGTGKEDGFUOCKT-ZDUSSCGKSA-N -1 3 378.834 2.503 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452095182 564390735 /nfs/dbraw/zinc/39/07/35/564390735.db2.gz VSWXXFIYVUKMCU-OAHLLOKOSA-N -1 3 382.463 2.839 20 5 GFBDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479223018 564432054 /nfs/dbraw/zinc/43/20/54/564432054.db2.gz IKTIAXFVOLWLMC-VIFPVBQESA-N -1 3 378.834 2.647 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480850551 564491536 /nfs/dbraw/zinc/49/15/36/564491536.db2.gz YHVRJAZRAOYSOY-LBPRGKRZSA-N -1 3 384.483 2.578 20 5 GFBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000516344065 564499425 /nfs/dbraw/zinc/49/94/25/564499425.db2.gz TUZDWGGPUMJTSS-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccn1-c1ccccc1 ZINC000517768266 564542281 /nfs/dbraw/zinc/54/22/81/564542281.db2.gz RHCNEGLUXDHBCM-NSHDSACASA-N -1 3 378.435 2.882 20 5 GFBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925618 564660885 /nfs/dbraw/zinc/66/08/85/564660885.db2.gz GREVCIIUFBDVAZ-MWLCHTKSSA-N -1 3 384.376 2.689 20 5 GFBDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487115539 564676073 /nfs/dbraw/zinc/67/60/73/564676073.db2.gz REHYZGSRTFEVTP-SNVBAGLBSA-N -1 3 384.435 2.791 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000576505921 564714419 /nfs/dbraw/zinc/71/44/19/564714419.db2.gz NOSLYZPRSZZOFY-MRXNPFEDSA-N -1 3 382.463 2.731 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000527112471 564730395 /nfs/dbraw/zinc/73/03/95/564730395.db2.gz KIWUNVXWJFTGJT-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474756 564807922 /nfs/dbraw/zinc/80/79/22/564807922.db2.gz VCAIOKMEGAZOKT-VXNVDRBHSA-N -1 3 393.259 2.609 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000467390917 564961648 /nfs/dbraw/zinc/96/16/48/564961648.db2.gz ABBZTRWMKXSQJR-GFCCVEGCSA-N -1 3 375.497 2.607 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c[nH]c1=O ZINC000533786458 564972627 /nfs/dbraw/zinc/97/26/27/564972627.db2.gz SURDQIFOYPEQOW-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000534411426 564988526 /nfs/dbraw/zinc/98/85/26/564988526.db2.gz RSOWFEBZIKOWPA-NWDGAFQWSA-N -1 3 393.259 2.593 20 5 GFBDHM CO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000469304371 565013409 /nfs/dbraw/zinc/01/34/09/565013409.db2.gz UIOBENLQNRYQBS-NSHDSACASA-N -1 3 390.767 2.802 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(F)F ZINC000592067447 565251436 /nfs/dbraw/zinc/25/14/36/565251436.db2.gz QBCJSOZLAGGIRU-ZETCQYMHSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC000618179871 565277067 /nfs/dbraw/zinc/27/70/67/565277067.db2.gz CYTOTZXGCSRGKN-LBPRGKRZSA-N -1 3 382.825 2.790 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2nc(C)cs2)CCC1 ZINC000619488041 565344719 /nfs/dbraw/zinc/34/47/19/565344719.db2.gz NTZMJACYNGLTET-UHFFFAOYSA-N -1 3 383.451 2.726 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000594476476 565393146 /nfs/dbraw/zinc/39/31/46/565393146.db2.gz COMHEFILSPZARH-VIFPVBQESA-N -1 3 378.834 2.504 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594870943 565433563 /nfs/dbraw/zinc/43/35/63/565433563.db2.gz RYICPRNDWXOXLJ-UHFFFAOYSA-N -1 3 376.381 2.850 20 5 GFBDHM COc1cc(CNCc2cc(Br)cnc2OC)c([N+](=O)[O-])cc1[O-] ZINC000599002940 565652564 /nfs/dbraw/zinc/65/25/64/565652564.db2.gz FCCVWKHDDYJULG-UHFFFAOYSA-N -1 3 398.213 2.765 20 5 GFBDHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)OC)c1 ZINC000599362209 565672161 /nfs/dbraw/zinc/67/21/61/565672161.db2.gz IDCFACVYZQRPTJ-AWEZNQCLSA-N -1 3 386.451 2.639 20 5 GFBDHM CN1CCC(n2cc([N-]c3ncc(Br)cc3[N+](=O)[O-])cn2)CC1 ZINC000601227538 565771766 /nfs/dbraw/zinc/77/17/66/565771766.db2.gz UNWSABPXWGPUTE-UHFFFAOYSA-N -1 3 381.234 2.959 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640000 599109997 /nfs/dbraw/zinc/10/99/97/599109997.db2.gz ONWBITROVHCDSK-KSSFIOAISA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640000 599109999 /nfs/dbraw/zinc/10/99/99/599109999.db2.gz ONWBITROVHCDSK-KSSFIOAISA-N -1 3 380.408 2.867 20 5 GFBDHM CN(Cc1ccccc1Br)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821614428 599144486 /nfs/dbraw/zinc/14/44/86/599144486.db2.gz FRMASBXJTQWGGI-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccccc1Br)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821614428 599144489 /nfs/dbraw/zinc/14/44/89/599144489.db2.gz FRMASBXJTQWGGI-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737283339 599173744 /nfs/dbraw/zinc/17/37/44/599173744.db2.gz QWOIQRCOYZBIRE-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737283339 599173747 /nfs/dbraw/zinc/17/37/47/599173747.db2.gz QWOIQRCOYZBIRE-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737970578 599178489 /nfs/dbraw/zinc/17/84/89/599178489.db2.gz XEQMZDCJARWJDK-UHFFFAOYSA-N -1 3 384.421 2.896 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737970578 599178491 /nfs/dbraw/zinc/17/84/91/599178491.db2.gz XEQMZDCJARWJDK-UHFFFAOYSA-N -1 3 384.421 2.896 20 5 GFBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737899525 599279469 /nfs/dbraw/zinc/27/94/69/599279469.db2.gz RMBKRVLWBPPLBP-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)c1 ZINC000823639855 607331485 /nfs/dbraw/zinc/33/14/85/607331485.db2.gz JFMDEXFKSZAKLC-NSHDSACASA-N -1 3 376.442 2.632 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)c1 ZINC000823639855 607331486 /nfs/dbraw/zinc/33/14/86/607331486.db2.gz JFMDEXFKSZAKLC-NSHDSACASA-N -1 3 376.442 2.632 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370253 598245671 /nfs/dbraw/zinc/24/56/71/598245671.db2.gz SRFCGFLEBSHLIY-UHFFFAOYSA-N -1 3 383.387 2.768 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370253 598245672 /nfs/dbraw/zinc/24/56/72/598245672.db2.gz SRFCGFLEBSHLIY-UHFFFAOYSA-N -1 3 383.387 2.768 20 5 GFBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000736738654 598278638 /nfs/dbraw/zinc/27/86/38/598278638.db2.gz FUJRDTHKMCPPRH-UHFFFAOYSA-N -1 3 395.354 2.532 20 5 GFBDHM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000736738654 598278640 /nfs/dbraw/zinc/27/86/40/598278640.db2.gz FUJRDTHKMCPPRH-UHFFFAOYSA-N -1 3 395.354 2.532 20 5 GFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736750184 598281056 /nfs/dbraw/zinc/28/10/56/598281056.db2.gz VXXQOEAOHXUJMV-UHFFFAOYSA-N -1 3 382.311 2.937 20 5 GFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736750184 598281058 /nfs/dbraw/zinc/28/10/58/598281058.db2.gz VXXQOEAOHXUJMV-UHFFFAOYSA-N -1 3 382.311 2.937 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738360309 598459173 /nfs/dbraw/zinc/45/91/73/598459173.db2.gz VLTGDCFLYYPUGI-CQSZACIVSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738360309 598459175 /nfs/dbraw/zinc/45/91/75/598459175.db2.gz VLTGDCFLYYPUGI-CQSZACIVSA-N -1 3 394.391 2.888 20 5 GFBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC000737016328 598499657 /nfs/dbraw/zinc/49/96/57/598499657.db2.gz WGTVNGDEPNXFEB-UHFFFAOYSA-N -1 3 391.775 2.592 20 5 GFBDHM COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC000737016328 598499658 /nfs/dbraw/zinc/49/96/58/598499658.db2.gz WGTVNGDEPNXFEB-UHFFFAOYSA-N -1 3 391.775 2.592 20 5 GFBDHM CCc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000736700851 598500665 /nfs/dbraw/zinc/50/06/65/598500665.db2.gz XKHIJTQNYWFPSV-JTQLQIEISA-N -1 3 386.441 2.573 20 5 GFBDHM CCc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000736700851 598500667 /nfs/dbraw/zinc/50/06/67/598500667.db2.gz XKHIJTQNYWFPSV-JTQLQIEISA-N -1 3 386.441 2.573 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737374229 598545374 /nfs/dbraw/zinc/54/53/74/598545374.db2.gz ZFYIPKPSPTUXCK-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737374229 598545375 /nfs/dbraw/zinc/54/53/75/598545375.db2.gz ZFYIPKPSPTUXCK-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738368633 598630052 /nfs/dbraw/zinc/63/00/52/598630052.db2.gz GKMFSQPJYLTHIU-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738368633 598630054 /nfs/dbraw/zinc/63/00/54/598630054.db2.gz GKMFSQPJYLTHIU-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM CC(C)C[C@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000735760546 598675124 /nfs/dbraw/zinc/67/51/24/598675124.db2.gz CYNQVYNJBUKIEE-LBPRGKRZSA-N -1 3 398.427 2.990 20 5 GFBDHM CC(C)C[C@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000735760546 598675127 /nfs/dbraw/zinc/67/51/27/598675127.db2.gz CYNQVYNJBUKIEE-LBPRGKRZSA-N -1 3 398.427 2.990 20 5 GFBDHM Cn1ccnc1C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737616130 598743646 /nfs/dbraw/zinc/74/36/46/598743646.db2.gz OCQXWDUKBMBWTA-UHFFFAOYSA-N -1 3 391.347 2.532 20 5 GFBDHM Cn1ccnc1C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737616130 598743648 /nfs/dbraw/zinc/74/36/48/598743648.db2.gz OCQXWDUKBMBWTA-UHFFFAOYSA-N -1 3 391.347 2.532 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c1 ZINC000738370714 598793418 /nfs/dbraw/zinc/79/34/18/598793418.db2.gz YDRWODIGKOXDEL-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c1 ZINC000738370714 598793419 /nfs/dbraw/zinc/79/34/19/598793419.db2.gz YDRWODIGKOXDEL-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737929711 599343452 /nfs/dbraw/zinc/34/34/52/599343452.db2.gz HCMNKUOBVUZTAJ-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737929711 599343454 /nfs/dbraw/zinc/34/34/54/599343454.db2.gz HCMNKUOBVUZTAJ-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455140 599356563 /nfs/dbraw/zinc/35/65/63/599356563.db2.gz FBZHDFZWMOHWAV-NSHDSACASA-N -1 3 393.407 2.840 20 5 GFBDHM C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455140 599356568 /nfs/dbraw/zinc/35/65/68/599356568.db2.gz FBZHDFZWMOHWAV-NSHDSACASA-N -1 3 393.407 2.840 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3COc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645904 599504902 /nfs/dbraw/zinc/50/49/02/599504902.db2.gz VKPSHVZVVVGDJX-OAHLLOKOSA-N -1 3 375.348 2.869 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3COc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823645904 599504904 /nfs/dbraw/zinc/50/49/04/599504904.db2.gz VKPSHVZVVVGDJX-OAHLLOKOSA-N -1 3 375.348 2.869 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645161 599687643 /nfs/dbraw/zinc/68/76/43/599687643.db2.gz OVTJCSSWAJUUIT-UHFFFAOYSA-N -1 3 383.412 2.678 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645161 599687644 /nfs/dbraw/zinc/68/76/44/599687644.db2.gz OVTJCSSWAJUUIT-UHFFFAOYSA-N -1 3 383.412 2.678 20 5 GFBDHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000832863496 601731111 /nfs/dbraw/zinc/73/11/11/601731111.db2.gz QZNVVWBRGBABCO-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2nnn[n-]2)c1 ZINC000826497947 607562204 /nfs/dbraw/zinc/56/22/04/607562204.db2.gz ACOPZXHCACPTPX-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(-c2nn[n-]n2)c1 ZINC000826497947 607562205 /nfs/dbraw/zinc/56/22/05/607562205.db2.gz ACOPZXHCACPTPX-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM COc1ccc(COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826205104 607595488 /nfs/dbraw/zinc/59/54/88/607595488.db2.gz KNRARPJAXQVBDX-UITAMQMPSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1ccc(COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826205104 607595490 /nfs/dbraw/zinc/59/54/90/607595490.db2.gz KNRARPJAXQVBDX-UITAMQMPSA-N -1 3 381.348 2.540 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823409610 606151329 /nfs/dbraw/zinc/15/13/29/606151329.db2.gz IVSWQUDSTNNSOG-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823409610 606151330 /nfs/dbraw/zinc/15/13/30/606151330.db2.gz IVSWQUDSTNNSOG-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822129119 606355103 /nfs/dbraw/zinc/35/51/03/606355103.db2.gz HUFQBPVBVDTJPA-SNVBAGLBSA-N -1 3 398.335 2.910 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822129119 606355104 /nfs/dbraw/zinc/35/51/04/606355104.db2.gz HUFQBPVBVDTJPA-SNVBAGLBSA-N -1 3 398.335 2.910 20 5 GFBDHM C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820496629 606359327 /nfs/dbraw/zinc/35/93/27/606359327.db2.gz NIWUDDIKQFVGEM-LBPRGKRZSA-N -1 3 383.364 2.848 20 5 GFBDHM C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820496629 606359329 /nfs/dbraw/zinc/35/93/29/606359329.db2.gz NIWUDDIKQFVGEM-LBPRGKRZSA-N -1 3 383.364 2.848 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCC2CCN(CC(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000823639476 606403572 /nfs/dbraw/zinc/40/35/72/606403572.db2.gz AXZDBVSUSYDDTJ-UHFFFAOYSA-N -1 3 399.377 2.851 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCC2CCN(CC(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000823639476 606403573 /nfs/dbraw/zinc/40/35/73/606403573.db2.gz AXZDBVSUSYDDTJ-UHFFFAOYSA-N -1 3 399.377 2.851 20 5 GFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823299489 606493617 /nfs/dbraw/zinc/49/36/17/606493617.db2.gz ZLKAXRQUZZUKMX-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823299489 606493619 /nfs/dbraw/zinc/49/36/19/606493619.db2.gz ZLKAXRQUZZUKMX-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820913884 606588409 /nfs/dbraw/zinc/58/84/09/606588409.db2.gz LLKFYBRVOINBRI-MLGOLLRUSA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913884 606588411 /nfs/dbraw/zinc/58/84/11/606588411.db2.gz LLKFYBRVOINBRI-MLGOLLRUSA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919277 606602199 /nfs/dbraw/zinc/60/21/99/606602199.db2.gz AQUZGGCPWHGBRE-MRXNPFEDSA-N -1 3 399.386 2.865 20 5 GFBDHM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919277 606602201 /nfs/dbraw/zinc/60/22/01/606602201.db2.gz AQUZGGCPWHGBRE-MRXNPFEDSA-N -1 3 399.386 2.865 20 5 GFBDHM COc1ccccc1N1CC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821899511 606645635 /nfs/dbraw/zinc/64/56/35/606645635.db2.gz ZWCFEUHMELWOEO-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819928763 606724369 /nfs/dbraw/zinc/72/43/69/606724369.db2.gz WNKJXTANAVVEQO-LBPRGKRZSA-N -1 3 388.428 2.723 20 5 GFBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000819928763 606724370 /nfs/dbraw/zinc/72/43/70/606724370.db2.gz WNKJXTANAVVEQO-LBPRGKRZSA-N -1 3 388.428 2.723 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823406006 606951896 /nfs/dbraw/zinc/95/18/96/606951896.db2.gz ZHFMXGPKAJLTIM-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823406006 606951898 /nfs/dbraw/zinc/95/18/98/606951898.db2.gz ZHFMXGPKAJLTIM-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM Cc1c(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822130261 607079882 /nfs/dbraw/zinc/07/98/82/607079882.db2.gz SIXXGAUDLBQGMC-UHFFFAOYSA-N -1 3 383.364 2.846 20 5 GFBDHM Cc1c(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822130261 607079884 /nfs/dbraw/zinc/07/98/84/607079884.db2.gz SIXXGAUDLBQGMC-UHFFFAOYSA-N -1 3 383.364 2.846 20 5 GFBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826167725 607871713 /nfs/dbraw/zinc/87/17/13/607871713.db2.gz OVESPDDUHIHVSM-CYBMUJFWSA-N -1 3 391.771 2.549 20 5 GFBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826167725 607871714 /nfs/dbraw/zinc/87/17/14/607871714.db2.gz OVESPDDUHIHVSM-CYBMUJFWSA-N -1 3 391.771 2.549 20 5 GFBDHM CC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943769 608142225 /nfs/dbraw/zinc/14/22/25/608142225.db2.gz SOSUYZGYCDBJMO-SEYXRHQNSA-N -1 3 395.375 2.800 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000825793070 608174627 /nfs/dbraw/zinc/17/46/27/608174627.db2.gz MBQFIYVICRNLEU-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000825793070 608174629 /nfs/dbraw/zinc/17/46/29/608174629.db2.gz MBQFIYVICRNLEU-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826171742 608345342 /nfs/dbraw/zinc/34/53/42/608345342.db2.gz WVFVDAFFEMOLSS-RUDMXATFSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826171742 608345344 /nfs/dbraw/zinc/34/53/44/608345344.db2.gz WVFVDAFFEMOLSS-RUDMXATFSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826168739 608370737 /nfs/dbraw/zinc/37/07/37/608370737.db2.gz XBPHRABBYPRFBE-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826168739 608370739 /nfs/dbraw/zinc/37/07/39/608370739.db2.gz XBPHRABBYPRFBE-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000826466531 608435740 /nfs/dbraw/zinc/43/57/40/608435740.db2.gz HPDJHBDTKBCLGI-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000826466531 608435742 /nfs/dbraw/zinc/43/57/42/608435742.db2.gz HPDJHBDTKBCLGI-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470418 608484192 /nfs/dbraw/zinc/48/41/92/608484192.db2.gz PGYBZLMDOMGPBE-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470418 608484194 /nfs/dbraw/zinc/48/41/94/608484194.db2.gz PGYBZLMDOMGPBE-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM Cc1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC000826282321 608569989 /nfs/dbraw/zinc/56/99/89/608569989.db2.gz IRUSUBFAONFLJB-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1[N+](=O)[O-] ZINC000826282321 608569991 /nfs/dbraw/zinc/56/99/91/608569991.db2.gz IRUSUBFAONFLJB-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826400912 608572496 /nfs/dbraw/zinc/57/24/96/608572496.db2.gz KYQLZHLGVUWSKG-JXMROGBWSA-N -1 3 391.391 2.701 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826400912 608572497 /nfs/dbraw/zinc/57/24/97/608572497.db2.gz KYQLZHLGVUWSKG-JXMROGBWSA-N -1 3 391.391 2.701 20 5 GFBDHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826269410 609244219 /nfs/dbraw/zinc/24/42/19/609244219.db2.gz KVYYMUFVJZYYDR-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269410 609244220 /nfs/dbraw/zinc/24/42/20/609244220.db2.gz KVYYMUFVJZYYDR-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825976181 609314725 /nfs/dbraw/zinc/31/47/25/609314725.db2.gz GCFKDXCRKZVSTL-UHFFFAOYSA-N -1 3 390.407 2.728 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000826263588 609384817 /nfs/dbraw/zinc/38/48/17/609384817.db2.gz IOUNOFJZDTZJEM-UHFFFAOYSA-N -1 3 395.423 2.835 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000826263588 609384818 /nfs/dbraw/zinc/38/48/18/609384818.db2.gz IOUNOFJZDTZJEM-UHFFFAOYSA-N -1 3 395.423 2.835 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826293183 609460844 /nfs/dbraw/zinc/46/08/44/609460844.db2.gz DZBQVYZREPDJMU-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826293183 609460845 /nfs/dbraw/zinc/46/08/45/609460845.db2.gz DZBQVYZREPDJMU-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826293462 609576858 /nfs/dbraw/zinc/57/68/58/609576858.db2.gz QBBQPAYHYBUWPN-HNNXBMFYSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826293462 609576859 /nfs/dbraw/zinc/57/68/59/609576859.db2.gz QBBQPAYHYBUWPN-HNNXBMFYSA-N -1 3 393.407 2.691 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000832369277 660775934 /nfs/dbraw/zinc/77/59/34/660775934.db2.gz KQFYYTXIHMFWOX-LBPRGKRZSA-N -1 3 383.253 2.856 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1cccc(Br)c1 ZINC000125528064 654796915 /nfs/dbraw/zinc/79/69/15/654796915.db2.gz OHKMVUZDQNBELI-SOFGYWHQSA-N -1 3 399.226 2.670 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129206778 654860297 /nfs/dbraw/zinc/86/02/97/654860297.db2.gz DIYUZYUFOVVXRR-IAQYHMDHSA-N -1 3 384.841 2.519 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3)CC2)s1 ZINC000064240784 654864645 /nfs/dbraw/zinc/86/46/45/654864645.db2.gz CMHYDFDVOFFTIT-UHFFFAOYSA-N -1 3 381.479 2.599 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000269151553 654999991 /nfs/dbraw/zinc/99/99/91/654999991.db2.gz SDQFGCYWAOIBPC-QMTHXVAHSA-N -1 3 392.886 2.581 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000119901344 655320436 /nfs/dbraw/zinc/32/04/36/655320436.db2.gz LWTAVKYYSBBNSB-NSHDSACASA-N -1 3 378.435 2.882 20 5 GFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3Br)s2)n1 ZINC000517908250 655419043 /nfs/dbraw/zinc/41/90/43/655419043.db2.gz VXRYRJMJLQMFCE-UHFFFAOYSA-N -1 3 382.199 2.953 20 5 GFBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000577488058 655460878 /nfs/dbraw/zinc/46/08/78/655460878.db2.gz NYHJFGPRCIYNSU-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000578940741 655489510 /nfs/dbraw/zinc/48/95/10/655489510.db2.gz XZULILGANUBTAF-GFCCVEGCSA-N -1 3 382.825 2.839 20 5 GFBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000746668633 655765834 /nfs/dbraw/zinc/76/58/34/655765834.db2.gz DPAKMIFEUBGPEB-WCBMZHEXSA-N -1 3 395.300 2.920 20 5 GFBDHM Nc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1[N+](=O)[O-] ZINC000747975519 655785996 /nfs/dbraw/zinc/78/59/96/655785996.db2.gz XFYYCHOIBMVYPG-UHFFFAOYSA-N -1 3 399.144 2.740 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751485897 655829701 /nfs/dbraw/zinc/82/97/01/655829701.db2.gz IKTANVRSEDPTFJ-PSLIRLAXSA-N -1 3 388.804 2.788 20 5 GFBDHM O=C(OCc1cc(=O)c([O-])co1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751690345 655832650 /nfs/dbraw/zinc/83/26/50/655832650.db2.gz IDLRBKOIPGZCSW-UHFFFAOYSA-N -1 3 388.101 2.512 20 5 GFBDHM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000751985575 655837840 /nfs/dbraw/zinc/83/78/40/655837840.db2.gz NNZKYUKUHILGRP-GFCCVEGCSA-N -1 3 378.834 2.648 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCC(F)(F)F)ccc1Br ZINC000765196122 656136244 /nfs/dbraw/zinc/13/62/44/656136244.db2.gz MINWVCRQZNORSP-UHFFFAOYSA-N -1 3 391.165 2.978 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1 ZINC000784359374 657302921 /nfs/dbraw/zinc/30/29/21/657302921.db2.gz PLQWEAAGGOTLGW-JTQLQIEISA-N -1 3 395.300 2.921 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000785395814 657359629 /nfs/dbraw/zinc/35/96/29/657359629.db2.gz CTEVEPWQFSPMMV-ZDUSSCGKSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000796109886 658892798 /nfs/dbraw/zinc/89/27/98/658892798.db2.gz YAYSRNPDWFIWIC-BZNIZROVSA-N -1 3 384.841 2.957 20 5 GFBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033521 660104812 /nfs/dbraw/zinc/10/48/12/660104812.db2.gz JWINBJYGPXEDHT-JTQLQIEISA-N -1 3 379.841 2.538 20 5 GFBDHM COCC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000872546820 662776365 /nfs/dbraw/zinc/77/63/65/662776365.db2.gz DPCDDTFRANGMCF-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116367064 551213514 /nfs/dbraw/zinc/21/35/14/551213514.db2.gz PXQPEIQIKLLGSE-UHFFFAOYSA-N -1 3 383.451 2.808 20 5 GFBDHM O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000151532073 551415346 /nfs/dbraw/zinc/41/53/46/551415346.db2.gz MKCWBWCESWAUTK-UHFFFAOYSA-N -1 3 381.182 2.758 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000173468117 552086119 /nfs/dbraw/zinc/08/61/19/552086119.db2.gz IANRQYMZUCBXBI-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178780447 552175062 /nfs/dbraw/zinc/17/50/62/552175062.db2.gz FBQKQXMRHWIMCE-JTQLQIEISA-N -1 3 384.376 2.689 20 5 GFBDHM COc1ccc([N-]C(=O)c2cnn3cc(Br)cnc23)c([N+](=O)[O-])c1 ZINC000180391435 552224884 /nfs/dbraw/zinc/22/48/84/552224884.db2.gz VPKDNEPQXLVKND-UHFFFAOYSA-N -1 3 392.169 2.661 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229793 552439866 /nfs/dbraw/zinc/43/98/66/552439866.db2.gz KKSFGEOQTCXNEJ-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000247037209 553117502 /nfs/dbraw/zinc/11/75/02/553117502.db2.gz MOWIWXJLOSSGNR-CDEUHXGRSA-N -1 3 388.511 2.570 20 5 GFBDHM CS(=O)(=O)c1cc(SCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000419588921 563242762 /nfs/dbraw/zinc/24/27/62/563242762.db2.gz PNFFRDXEPBKWNM-UHFFFAOYSA-N -1 3 381.435 2.664 20 5 GFBDHM CSCCON=C([O-])Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296791033 563301458 /nfs/dbraw/zinc/30/14/58/563301458.db2.gz QBFIJZQGEOPFDM-UHFFFAOYSA-N -1 3 397.194 2.616 20 5 GFBDHM CSCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296791033 563301460 /nfs/dbraw/zinc/30/14/60/563301460.db2.gz QBFIJZQGEOPFDM-UHFFFAOYSA-N -1 3 397.194 2.616 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000429901677 563527954 /nfs/dbraw/zinc/52/79/54/563527954.db2.gz JZMIUEVMXTXHIH-UHFFFAOYSA-N -1 3 378.303 2.938 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(Br)c1 ZINC000331348554 563546312 /nfs/dbraw/zinc/54/63/12/563546312.db2.gz TZMRCMKPZMLRHO-VIFPVBQESA-N -1 3 381.273 2.531 20 5 GFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000290641308 563717160 /nfs/dbraw/zinc/71/71/60/563717160.db2.gz DKOGJOWMYYJTBS-ZCFIWIBFSA-N -1 3 394.240 2.622 20 5 GFBDHM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000290641308 563717164 /nfs/dbraw/zinc/71/71/64/563717164.db2.gz DKOGJOWMYYJTBS-ZCFIWIBFSA-N -1 3 394.240 2.622 20 5 GFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442760688 563778657 /nfs/dbraw/zinc/77/86/57/563778657.db2.gz NUZIJFZMQVDFRY-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000443755474 563811769 /nfs/dbraw/zinc/81/17/69/563811769.db2.gz YXQUQIZFECEGLK-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443760173 563811888 /nfs/dbraw/zinc/81/18/88/563811888.db2.gz UZYDHGXLMRXLKU-UHFFFAOYSA-N -1 3 380.813 2.646 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000444280912 563827267 /nfs/dbraw/zinc/82/72/67/563827267.db2.gz UVNAEVNHJJHNMI-GFCCVEGCSA-N -1 3 381.479 2.552 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451648205 564334894 /nfs/dbraw/zinc/33/48/94/564334894.db2.gz OQYGBNVCVKLLDF-LLVKDONJSA-N -1 3 384.376 2.847 20 5 GFBDHM CC/C=C/C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000451781388 564350556 /nfs/dbraw/zinc/35/05/56/564350556.db2.gz XLFVWPVZDHBJQX-AATRIKPKSA-N -1 3 393.259 2.919 20 5 GFBDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831340 564357219 /nfs/dbraw/zinc/35/72/19/564357219.db2.gz ZNAGQUFLDJVFTL-SMDDNHRTSA-N -1 3 376.862 2.978 20 5 GFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(OC)c(Br)cn2)c1[N+](=O)[O-] ZINC000477008587 564361773 /nfs/dbraw/zinc/36/17/73/564361773.db2.gz PURGOQNFVBDWJA-UHFFFAOYSA-N -1 3 384.190 2.689 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893734 564363180 /nfs/dbraw/zinc/36/31/80/564363180.db2.gz CEAAZBZAYDOTDS-TZMCWYRMSA-N -1 3 383.451 2.558 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccncc2Br)c1[N+](=O)[O-] ZINC000479129964 564427090 /nfs/dbraw/zinc/42/70/90/564427090.db2.gz IZUJREQZBDALLF-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cnc3ccccc32)c(Cl)c1 ZINC000524156309 564677556 /nfs/dbraw/zinc/67/75/56/564677556.db2.gz FGZUDXSEPDRZCL-UHFFFAOYSA-N -1 3 380.813 2.576 20 5 GFBDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160313 564677892 /nfs/dbraw/zinc/67/78/92/564677892.db2.gz XTPPDOVLTAPBPO-NHYWBVRUSA-N -1 3 376.862 2.978 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H]1OCCc2sccc21 ZINC000490558040 564776395 /nfs/dbraw/zinc/77/63/95/564776395.db2.gz RNHBQTGEFLXZSY-XHDPSFHLSA-N -1 3 382.463 2.946 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000497953485 564881291 /nfs/dbraw/zinc/88/12/91/564881291.db2.gz VKXDWBBOUIVBLD-MWLCHTKSSA-N -1 3 390.767 2.537 20 5 GFBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000558777198 564914123 /nfs/dbraw/zinc/91/41/23/564914123.db2.gz QLHOZNDYISBEJX-SNVBAGLBSA-N -1 3 381.273 2.530 20 5 GFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532887567 564949065 /nfs/dbraw/zinc/94/90/65/564949065.db2.gz PUDYHTQUDSWQBN-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532887567 564949068 /nfs/dbraw/zinc/94/90/68/564949068.db2.gz PUDYHTQUDSWQBN-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM COc1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000561355171 564992114 /nfs/dbraw/zinc/99/21/14/564992114.db2.gz DBFINXXWIYGTDL-UHFFFAOYSA-N -1 3 384.797 2.913 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000561557567 565001863 /nfs/dbraw/zinc/00/18/63/565001863.db2.gz ICZYHGKBNJXEDT-SNVBAGLBSA-N -1 3 390.870 2.673 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000503766544 565027845 /nfs/dbraw/zinc/02/78/45/565027845.db2.gz SZCJKGORNRISMC-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326606 565223824 /nfs/dbraw/zinc/22/38/24/565223824.db2.gz VYFFUTKNPTYHOP-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC=CC1 ZINC000592100294 565255221 /nfs/dbraw/zinc/25/52/21/565255221.db2.gz WCBKLGJKPZYSDX-OAHLLOKOSA-N -1 3 388.873 2.880 20 5 GFBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116513 565257929 /nfs/dbraw/zinc/25/79/29/565257929.db2.gz VOOYJFIRRKJJCE-HQJQHLMTSA-N -1 3 381.273 2.530 20 5 GFBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353173 566036564 /nfs/dbraw/zinc/03/65/64/566036564.db2.gz PMYIEVPIQWRETK-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c(Cl)c1 ZINC000609598209 566047048 /nfs/dbraw/zinc/04/70/48/566047048.db2.gz SNKLRZPKJNJIBZ-OAHLLOKOSA-N -1 3 382.825 2.841 20 5 GFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000610591771 566090045 /nfs/dbraw/zinc/09/00/45/566090045.db2.gz YGUMWUQLPSZGSM-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(Cl)c1 ZINC000612173524 566154398 /nfs/dbraw/zinc/15/43/98/566154398.db2.gz XYHZJSHFYLRUFJ-LLVKDONJSA-N -1 3 390.751 2.938 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738318115 598828841 /nfs/dbraw/zinc/82/88/41/598828841.db2.gz JCOKIEFLRMHLMP-JYRVWZFOSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738318115 598828842 /nfs/dbraw/zinc/82/88/42/598828842.db2.gz JCOKIEFLRMHLMP-JYRVWZFOSA-N -1 3 396.750 2.773 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](Cn1cccn1)c1ccccc1 ZINC000738357101 599045197 /nfs/dbraw/zinc/04/51/97/599045197.db2.gz BFSBGLQHLHMQND-MRXNPFEDSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](Cn1cccn1)c1ccccc1 ZINC000738357101 599045200 /nfs/dbraw/zinc/04/52/00/599045200.db2.gz BFSBGLQHLHMQND-MRXNPFEDSA-N -1 3 376.380 2.825 20 5 GFBDHM Cc1noc(C)c1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737535892 599270279 /nfs/dbraw/zinc/27/02/79/599270279.db2.gz DOYSSQKJHBQICV-UHFFFAOYSA-N -1 3 380.368 2.564 20 5 GFBDHM Cc1noc(C)c1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737535892 599270281 /nfs/dbraw/zinc/27/02/81/599270281.db2.gz DOYSSQKJHBQICV-UHFFFAOYSA-N -1 3 380.368 2.564 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736201069 598255780 /nfs/dbraw/zinc/25/57/80/598255780.db2.gz GKDHUWCJAWVZME-CYBMUJFWSA-N -1 3 397.414 2.797 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000736910794 598310347 /nfs/dbraw/zinc/31/03/47/598310347.db2.gz BVAQGHGUWUZBQW-CLTKARDFSA-N -1 3 398.354 2.712 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000736910794 598310348 /nfs/dbraw/zinc/31/03/48/598310348.db2.gz BVAQGHGUWUZBQW-CLTKARDFSA-N -1 3 398.354 2.712 20 5 GFBDHM O=[N+]([O-])c1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738366728 598325046 /nfs/dbraw/zinc/32/50/46/598325046.db2.gz IUTIRNDDSKRXDP-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM O=[N+]([O-])c1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000738366728 598325048 /nfs/dbraw/zinc/32/50/48/598325048.db2.gz IUTIRNDDSKRXDP-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1-c1nnn[n-]1 ZINC000736675194 598515518 /nfs/dbraw/zinc/51/55/18/598515518.db2.gz GDIYGDAJDMASBN-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1-c1nn[n-]n1 ZINC000736675194 598515519 /nfs/dbraw/zinc/51/55/19/598515519.db2.gz GDIYGDAJDMASBN-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM CCc1c(C)sc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736675271 598515793 /nfs/dbraw/zinc/51/57/93/598515793.db2.gz JASNYHHGGGIHTF-UHFFFAOYSA-N -1 3 388.409 2.725 20 5 GFBDHM CCc1c(C)sc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736675271 598515795 /nfs/dbraw/zinc/51/57/95/598515795.db2.gz JASNYHHGGGIHTF-UHFFFAOYSA-N -1 3 388.409 2.725 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737282897 598543856 /nfs/dbraw/zinc/54/38/56/598543856.db2.gz KUEWCESOFCWIRA-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737282897 598543857 /nfs/dbraw/zinc/54/38/57/598543857.db2.gz KUEWCESOFCWIRA-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737973198 598547584 /nfs/dbraw/zinc/54/75/84/598547584.db2.gz CPUJNISCJZZROV-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737973198 598547585 /nfs/dbraw/zinc/54/75/85/598547585.db2.gz CPUJNISCJZZROV-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300199 598735689 /nfs/dbraw/zinc/73/56/89/598735689.db2.gz VQNVCRZGMKIRKP-LZGFCCKTSA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300199 598735690 /nfs/dbraw/zinc/73/56/90/598735690.db2.gz VQNVCRZGMKIRKP-LZGFCCKTSA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184834 598735800 /nfs/dbraw/zinc/73/58/00/598735800.db2.gz OBGRBAYBFLQYFS-NEPJUHHUSA-N -1 3 394.391 2.520 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184834 598735802 /nfs/dbraw/zinc/73/58/02/598735802.db2.gz OBGRBAYBFLQYFS-NEPJUHHUSA-N -1 3 394.391 2.520 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737284107 598808710 /nfs/dbraw/zinc/80/87/10/598808710.db2.gz ZJXYLQQXXNEHKT-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)CCO4)cc(-c3nnn[n-]3)c2c1 ZINC000823643880 599518188 /nfs/dbraw/zinc/51/81/88/599518188.db2.gz DRJXNYABIZUEPF-UHFFFAOYSA-N -1 3 389.375 2.870 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)CCO4)cc(-c3nn[n-]n3)c2c1 ZINC000823643880 599518190 /nfs/dbraw/zinc/51/81/90/599518190.db2.gz DRJXNYABIZUEPF-UHFFFAOYSA-N -1 3 389.375 2.870 20 5 GFBDHM COC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736940517 599527042 /nfs/dbraw/zinc/52/70/42/599527042.db2.gz RFRFYWBHZJBZCD-UHFFFAOYSA-N -1 3 383.368 2.608 20 5 GFBDHM COC(=O)Nc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736940517 599527044 /nfs/dbraw/zinc/52/70/44/599527044.db2.gz RFRFYWBHZJBZCD-UHFFFAOYSA-N -1 3 383.368 2.608 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823036946 599695335 /nfs/dbraw/zinc/69/53/35/599695335.db2.gz NJRKNEGTTATLDO-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820170136 607398807 /nfs/dbraw/zinc/39/88/07/607398807.db2.gz RUSANEVEENMHEN-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820170136 607398809 /nfs/dbraw/zinc/39/88/09/607398809.db2.gz RUSANEVEENMHEN-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421150 607419444 /nfs/dbraw/zinc/41/94/44/607419444.db2.gz UMZVBGMYRCMTEY-UHFFFAOYSA-N -1 3 396.432 2.673 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421150 607419446 /nfs/dbraw/zinc/41/94/46/607419446.db2.gz UMZVBGMYRCMTEY-UHFFFAOYSA-N -1 3 396.432 2.673 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826428004 607423221 /nfs/dbraw/zinc/42/32/21/607423221.db2.gz LDVFPWUKAWQBST-UHFFFAOYSA-N -1 3 390.359 2.940 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826428004 607423223 /nfs/dbraw/zinc/42/32/23/607423223.db2.gz LDVFPWUKAWQBST-UHFFFAOYSA-N -1 3 390.359 2.940 20 5 GFBDHM Cn1c(CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc2ccccc21 ZINC000822596508 606063220 /nfs/dbraw/zinc/06/32/20/606063220.db2.gz NDSAAKFWMFCJEE-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM Cn1c(CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc2ccccc21 ZINC000822596508 606063228 /nfs/dbraw/zinc/06/32/28/606063228.db2.gz NDSAAKFWMFCJEE-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822129113 606355430 /nfs/dbraw/zinc/35/54/30/606355430.db2.gz HUFQBPVBVDTJPA-JTQLQIEISA-N -1 3 398.335 2.910 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822129113 606355431 /nfs/dbraw/zinc/35/54/31/606355431.db2.gz HUFQBPVBVDTJPA-JTQLQIEISA-N -1 3 398.335 2.910 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229253 606440866 /nfs/dbraw/zinc/44/08/66/606440866.db2.gz QCHOCTGJQDWLSU-GFCCVEGCSA-N -1 3 381.396 2.644 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229253 606440867 /nfs/dbraw/zinc/44/08/67/606440867.db2.gz QCHOCTGJQDWLSU-GFCCVEGCSA-N -1 3 381.396 2.644 20 5 GFBDHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819988328 606579031 /nfs/dbraw/zinc/57/90/31/606579031.db2.gz YFCVACNGDKAGJC-UHFFFAOYSA-N -1 3 385.359 2.971 20 5 GFBDHM CC(C)(NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819988328 606579033 /nfs/dbraw/zinc/57/90/33/606579033.db2.gz YFCVACNGDKAGJC-UHFFFAOYSA-N -1 3 385.359 2.971 20 5 GFBDHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026670 606720709 /nfs/dbraw/zinc/72/07/09/606720709.db2.gz LJHGBNDLUDWLKM-HNNXBMFYSA-N -1 3 379.384 2.627 20 5 GFBDHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026670 606720711 /nfs/dbraw/zinc/72/07/11/606720711.db2.gz LJHGBNDLUDWLKM-HNNXBMFYSA-N -1 3 379.384 2.627 20 5 GFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000821304479 607102162 /nfs/dbraw/zinc/10/21/62/607102162.db2.gz HBFOXPXDKSUYOA-UHFFFAOYSA-N -1 3 399.436 2.938 20 5 GFBDHM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824199706 607819790 /nfs/dbraw/zinc/81/97/90/607819790.db2.gz LWNOKKVDBGMJJQ-INIZCTEOSA-N -1 3 385.428 2.778 20 5 GFBDHM CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824199706 607819791 /nfs/dbraw/zinc/81/97/91/607819791.db2.gz LWNOKKVDBGMJJQ-INIZCTEOSA-N -1 3 385.428 2.778 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824385169 608161220 /nfs/dbraw/zinc/16/12/20/608161220.db2.gz NKFLIAIMEKYQGL-VIFPVBQESA-N -1 3 387.787 2.956 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824385169 608161222 /nfs/dbraw/zinc/16/12/22/608161222.db2.gz NKFLIAIMEKYQGL-VIFPVBQESA-N -1 3 387.787 2.956 20 5 GFBDHM CCO[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576454 608161264 /nfs/dbraw/zinc/16/12/64/608161264.db2.gz HMLWYRHTBIPRMM-LBPRGKRZSA-N -1 3 382.808 2.818 20 5 GFBDHM CCO[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576454 608161266 /nfs/dbraw/zinc/16/12/66/608161266.db2.gz HMLWYRHTBIPRMM-LBPRGKRZSA-N -1 3 382.808 2.818 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000825796370 608174422 /nfs/dbraw/zinc/17/44/22/608174422.db2.gz DPWIYSASUJTDBO-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000825796370 608174424 /nfs/dbraw/zinc/17/44/24/608174424.db2.gz DPWIYSASUJTDBO-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826177313 608185211 /nfs/dbraw/zinc/18/52/11/608185211.db2.gz CLQNBEHIXNXZQN-JTQLQIEISA-N -1 3 399.363 2.710 20 5 GFBDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826177313 608185212 /nfs/dbraw/zinc/18/52/12/608185212.db2.gz CLQNBEHIXNXZQN-JTQLQIEISA-N -1 3 399.363 2.710 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826465780 608447119 /nfs/dbraw/zinc/44/71/19/608447119.db2.gz BTOZZWLRRLGKCY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826465780 608447121 /nfs/dbraw/zinc/44/71/21/608447121.db2.gz BTOZZWLRRLGKCY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625414 608489739 /nfs/dbraw/zinc/48/97/39/608489739.db2.gz HLGSOCVEWZDKPM-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625414 608489741 /nfs/dbraw/zinc/48/97/41/608489741.db2.gz HLGSOCVEWZDKPM-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826263879 608784364 /nfs/dbraw/zinc/78/43/64/608784364.db2.gz UHWJPZXCCSGTSD-UHFFFAOYSA-N -1 3 395.375 2.740 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826263879 608784367 /nfs/dbraw/zinc/78/43/67/608784367.db2.gz UHWJPZXCCSGTSD-UHFFFAOYSA-N -1 3 395.375 2.740 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826272442 609163566 /nfs/dbraw/zinc/16/35/66/609163566.db2.gz JUPPGMLVVUMLGA-UHFFFAOYSA-N -1 3 383.364 2.628 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826272442 609163567 /nfs/dbraw/zinc/16/35/67/609163567.db2.gz JUPPGMLVVUMLGA-UHFFFAOYSA-N -1 3 383.364 2.628 20 5 GFBDHM Cc1cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826267840 609284420 /nfs/dbraw/zinc/28/44/20/609284420.db2.gz ZDOHCZUCRLNMLU-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM Cc1cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267840 609284421 /nfs/dbraw/zinc/28/44/21/609284421.db2.gz ZDOHCZUCRLNMLU-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321856 660648337 /nfs/dbraw/zinc/64/83/37/660648337.db2.gz DQWBKMKTKMWUTE-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC000266203691 654863003 /nfs/dbraw/zinc/86/30/03/654863003.db2.gz DTZVFSMIKCGHOP-SNVBAGLBSA-N -1 3 385.833 2.560 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)s1 ZINC000064243023 654864632 /nfs/dbraw/zinc/86/46/32/654864632.db2.gz HTVVTZSZZGKMAS-CQSZACIVSA-N -1 3 381.479 2.772 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000267648851 654940203 /nfs/dbraw/zinc/94/02/03/654940203.db2.gz UBHSQIIVHADLDU-QMMMGPOBSA-N -1 3 391.858 2.891 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CCSCC2)c1 ZINC000173089999 655162678 /nfs/dbraw/zinc/16/26/78/655162678.db2.gz MSULNTSKNIDGJI-UHFFFAOYSA-N -1 3 381.273 2.531 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000120029279 655325270 /nfs/dbraw/zinc/32/52/70/655325270.db2.gz YNRFZPXPJGNPGG-UHFFFAOYSA-N -1 3 393.240 2.603 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1 ZINC000742280037 655713764 /nfs/dbraw/zinc/71/37/64/655713764.db2.gz OJRVKWMDRNWYFW-LLVKDONJSA-N -1 3 397.250 2.976 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1F ZINC000751434890 655827122 /nfs/dbraw/zinc/82/71/22/655827122.db2.gz JLWDVCMIEVXILK-GFCCVEGCSA-N -1 3 392.767 2.538 20 5 GFBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795806329 658853180 /nfs/dbraw/zinc/85/31/80/658853180.db2.gz USODCTUWDIQZCT-UHFFFAOYSA-N -1 3 393.868 2.929 20 5 GFBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989536 660100294 /nfs/dbraw/zinc/10/02/94/660100294.db2.gz OJIYBXIDNFFYLS-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000814988708 660100361 /nfs/dbraw/zinc/10/03/61/660100361.db2.gz SPXVPPDUXHGTID-WDEREUQCSA-N -1 3 393.868 2.786 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000841552597 661297759 /nfs/dbraw/zinc/29/77/59/661297759.db2.gz ZLSQLCRRBJVBJY-QRTLGDNMSA-N -1 3 375.244 2.824 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000056076765 551176743 /nfs/dbraw/zinc/17/67/43/551176743.db2.gz CAJVRYNDPSXFHZ-UHFFFAOYSA-N -1 3 376.843 2.839 20 5 GFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)c3cccnc23)n1 ZINC000138592531 551391630 /nfs/dbraw/zinc/39/16/30/551391630.db2.gz PGWKDBKKRWDABX-UHFFFAOYSA-N -1 3 376.170 2.891 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000152277351 551429808 /nfs/dbraw/zinc/42/98/08/551429808.db2.gz XAAQDPDONYGXBF-SNVBAGLBSA-N -1 3 381.273 2.531 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167272018 551633035 /nfs/dbraw/zinc/63/30/35/551633035.db2.gz TVGLVOCGYFAQEB-GLQYFDAESA-N -1 3 386.857 2.874 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000173490567 552086518 /nfs/dbraw/zinc/08/65/18/552086518.db2.gz JIMNLKAJGKIUJL-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000187190731 552409008 /nfs/dbraw/zinc/40/90/08/552409008.db2.gz DCAXAMOYTCAJOD-JTQLQIEISA-N -1 3 388.442 2.961 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000187360220 552413317 /nfs/dbraw/zinc/41/33/17/552413317.db2.gz GZSVUXQPBDQQME-QMMMGPOBSA-N -1 3 375.403 2.547 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000187453702 552416183 /nfs/dbraw/zinc/41/61/83/552416183.db2.gz HMVZNSHDLGRKGR-UHFFFAOYSA-N -1 3 387.414 2.555 20 5 GFBDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000188392094 552444066 /nfs/dbraw/zinc/44/40/66/552444066.db2.gz VNNWGKACGHFOEW-LBPRGKRZSA-N -1 3 384.376 2.953 20 5 GFBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538670 563216628 /nfs/dbraw/zinc/21/66/28/563216628.db2.gz DMFWFSAWDWGKIQ-IINYFYTJSA-N -1 3 387.508 2.689 20 5 GFBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295429870 563247459 /nfs/dbraw/zinc/24/74/59/563247459.db2.gz JGRPBCYBXOPFKA-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457201 563263808 /nfs/dbraw/zinc/26/38/08/563263808.db2.gz HSELFQJFGXHPHF-CQSZACIVSA-N -1 3 383.857 2.789 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000301575014 563407318 /nfs/dbraw/zinc/40/73/18/563407318.db2.gz QCUOOZYZYVXXTH-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000436477406 563671246 /nfs/dbraw/zinc/67/12/46/563671246.db2.gz LOAJZPDRDIEINM-UHFFFAOYSA-N -1 3 390.204 2.801 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000290217934 563701828 /nfs/dbraw/zinc/70/18/28/563701828.db2.gz WAJQHSOOHKVGNX-MRXNPFEDSA-N -1 3 382.463 2.564 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000414377783 563730796 /nfs/dbraw/zinc/73/07/96/563730796.db2.gz XICJMYYWHQTNJR-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM CSc1nsc([N-]C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000440084786 563736499 /nfs/dbraw/zinc/73/64/99/563736499.db2.gz XSNNJZUNGQZFPH-UHFFFAOYSA-N -1 3 376.423 2.821 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000440668908 563747006 /nfs/dbraw/zinc/74/70/06/563747006.db2.gz SHZGSEGXHWVGGU-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000442849128 563782231 /nfs/dbraw/zinc/78/22/31/563782231.db2.gz SNAOPRYBAQMEOS-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000443014567 563787213 /nfs/dbraw/zinc/78/72/13/563787213.db2.gz QFXQKGHZCSKJAY-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c(Cl)c1 ZINC000443776771 563811719 /nfs/dbraw/zinc/81/17/19/563811719.db2.gz GDEAGFKCAUMIID-UHFFFAOYSA-N -1 3 380.813 2.646 20 5 GFBDHM O=C([O-])COCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000417618386 563886250 /nfs/dbraw/zinc/88/62/50/563886250.db2.gz GRUPTVYBBCGECX-UHFFFAOYSA-N -1 3 399.197 2.808 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447854081 563888445 /nfs/dbraw/zinc/88/84/45/563888445.db2.gz JYEHOKPXTBPADV-UHFFFAOYSA-N -1 3 393.755 2.723 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(F)c1 ZINC000470777024 564177840 /nfs/dbraw/zinc/17/78/40/564177840.db2.gz POIGUQBUSDMIAC-UHFFFAOYSA-N -1 3 381.410 2.865 20 5 GFBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000472199675 564216254 /nfs/dbraw/zinc/21/62/54/564216254.db2.gz UIDHQPSYFAJOEK-UHFFFAOYSA-N -1 3 384.376 2.833 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474297817 564273532 /nfs/dbraw/zinc/27/35/32/564273532.db2.gz FKWBRVOPWHAIBT-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1c(F)cccc1SC ZINC000509616877 564306218 /nfs/dbraw/zinc/30/62/18/564306218.db2.gz JQSMLMJRFOPTNQ-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM CCC[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000510532270 564337631 /nfs/dbraw/zinc/33/76/31/564337631.db2.gz FTANNGXNENUMNQ-ZDUSSCGKSA-N -1 3 382.360 2.851 20 5 GFBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683548 564339331 /nfs/dbraw/zinc/33/93/31/564339331.db2.gz UXJLLBMFUSLTDT-JOYOIKCWSA-N -1 3 384.376 2.953 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905024 564364409 /nfs/dbraw/zinc/36/44/09/564364409.db2.gz SPGANALDSHVASX-TZMCWYRMSA-N -1 3 383.451 2.558 20 5 GFBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC000544346369 564382789 /nfs/dbraw/zinc/38/27/89/564382789.db2.gz VBDZGVOUQPDFLI-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(=O)[nH]1 ZINC000480195542 564463173 /nfs/dbraw/zinc/46/31/73/564463173.db2.gz CALZQULIGWTMFA-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000480896150 564494788 /nfs/dbraw/zinc/49/47/88/564494788.db2.gz JGBCVGXMUNZHOA-BZNIZROVSA-N -1 3 383.495 2.934 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c1C ZINC000480939605 564496429 /nfs/dbraw/zinc/49/64/29/564496429.db2.gz SSIHGKWGQZXFCH-HNNXBMFYSA-N -1 3 383.495 2.854 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000518658883 564559938 /nfs/dbraw/zinc/55/99/38/564559938.db2.gz ZERAGMALEPVPRU-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM CCOc1cc(Br)c(F)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000485193609 564608885 /nfs/dbraw/zinc/60/88/85/564608885.db2.gz QWHIZJVKACOWMP-UHFFFAOYSA-N -1 3 387.165 2.881 20 5 GFBDHM CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000573844584 564656393 /nfs/dbraw/zinc/65/63/93/564656393.db2.gz DGPPNAPQQIFIIT-UHFFFAOYSA-N -1 3 382.360 2.547 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1Cl ZINC000553902684 564744351 /nfs/dbraw/zinc/74/43/51/564744351.db2.gz VZCYVXWTNSBWML-LBPRGKRZSA-N -1 3 384.841 2.611 20 5 GFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000581668168 564813875 /nfs/dbraw/zinc/81/38/75/564813875.db2.gz BYJYXKMDJDBHRO-NSHDSACASA-N -1 3 381.230 2.720 20 5 GFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583656443 564901483 /nfs/dbraw/zinc/90/14/83/564901483.db2.gz UVJKEWVILLWGDZ-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061744 564954392 /nfs/dbraw/zinc/95/43/92/564954392.db2.gz BQVNUGOTSBDKTI-HOCLYGCPSA-N -1 3 382.463 2.982 20 5 GFBDHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467071673 564955421 /nfs/dbraw/zinc/95/54/21/564955421.db2.gz JPBWQGDSGFIKSA-JTQLQIEISA-N -1 3 386.451 2.719 20 5 GFBDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467087528 564955886 /nfs/dbraw/zinc/95/58/86/564955886.db2.gz ZFHOPPFANIJYDW-JTQLQIEISA-N -1 3 386.451 2.719 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000561557566 565002074 /nfs/dbraw/zinc/00/20/74/565002074.db2.gz ICZYHGKBNJXEDT-JTQLQIEISA-N -1 3 390.870 2.673 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000503858760 565029943 /nfs/dbraw/zinc/02/99/43/565029943.db2.gz KVRGFFFCHPVWKM-UHFFFAOYSA-N -1 3 378.303 2.672 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000589295567 565160643 /nfs/dbraw/zinc/16/06/43/565160643.db2.gz OSXADAAJJZZTOX-AWEZNQCLSA-N -1 3 388.492 2.793 20 5 GFBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083888 565254285 /nfs/dbraw/zinc/25/42/85/565254285.db2.gz RHERQMFMDXLKJO-ONGXEEELSA-N -1 3 384.376 2.689 20 5 GFBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082513 565254573 /nfs/dbraw/zinc/25/45/73/565254573.db2.gz IRLSKLZAIKRQEQ-ZJUUUORDSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116514 565257774 /nfs/dbraw/zinc/25/77/74/565257774.db2.gz VOOYJFIRRKJJCE-RDDDGLTNSA-N -1 3 381.273 2.530 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000618179868 565277629 /nfs/dbraw/zinc/27/76/29/565277629.db2.gz CYFMOWSEPDHYGL-CYBMUJFWSA-N -1 3 382.825 2.790 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000619491203 565344451 /nfs/dbraw/zinc/34/44/51/565344451.db2.gz RPASUTIQTJITKF-NSHDSACASA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392938 565472830 /nfs/dbraw/zinc/47/28/30/565472830.db2.gz MNFRHECSXNDEIE-CQSZACIVSA-N -1 3 381.479 2.518 20 5 GFBDHM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1Br ZINC000598734385 565638536 /nfs/dbraw/zinc/63/85/36/565638536.db2.gz HQOWAPPWJJSTBS-UHFFFAOYSA-N -1 3 389.231 2.806 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c(Cl)c1 ZINC000612173525 566154610 /nfs/dbraw/zinc/15/46/10/566154610.db2.gz XYHZJSHFYLRUFJ-NSHDSACASA-N -1 3 390.751 2.938 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737373278 598888594 /nfs/dbraw/zinc/88/85/94/598888594.db2.gz SIUZRANVLFRZIC-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737373278 598888595 /nfs/dbraw/zinc/88/85/95/598888595.db2.gz SIUZRANVLFRZIC-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM CC(C)(C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735582938 598903251 /nfs/dbraw/zinc/90/32/51/598903251.db2.gz OSWFNFKAOJZACR-UHFFFAOYSA-N -1 3 397.391 2.675 20 5 GFBDHM CC(C)(C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735582938 598903252 /nfs/dbraw/zinc/90/32/52/598903252.db2.gz OSWFNFKAOJZACR-UHFFFAOYSA-N -1 3 397.391 2.675 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737025468 599246024 /nfs/dbraw/zinc/24/60/24/599246024.db2.gz QVTCAFLOJXTEAZ-UHFFFAOYSA-N -1 3 389.755 2.585 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737025468 599246027 /nfs/dbraw/zinc/24/60/27/599246027.db2.gz QVTCAFLOJXTEAZ-UHFFFAOYSA-N -1 3 389.755 2.585 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000736812686 599249245 /nfs/dbraw/zinc/24/92/45/599249245.db2.gz GCORUJTWNWPIMK-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000736812686 599249247 /nfs/dbraw/zinc/24/92/47/599249247.db2.gz GCORUJTWNWPIMK-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645524 607327874 /nfs/dbraw/zinc/32/78/74/607327874.db2.gz SVTOGLDFBGFMLO-INIZCTEOSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H](CO)C3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645524 607327875 /nfs/dbraw/zinc/32/78/75/607327875.db2.gz SVTOGLDFBGFMLO-INIZCTEOSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738368623 598251683 /nfs/dbraw/zinc/25/16/83/598251683.db2.gz GGTZYTQAOPJMND-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738368623 598251684 /nfs/dbraw/zinc/25/16/84/598251684.db2.gz GGTZYTQAOPJMND-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM COc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737085749 598495052 /nfs/dbraw/zinc/49/50/52/598495052.db2.gz AJFGSFPQHYQMJO-UHFFFAOYSA-N -1 3 388.409 2.643 20 5 GFBDHM COc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737085749 598495054 /nfs/dbraw/zinc/49/50/54/598495054.db2.gz AJFGSFPQHYQMJO-UHFFFAOYSA-N -1 3 388.409 2.643 20 5 GFBDHM CCc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)n1 ZINC000736700853 598500654 /nfs/dbraw/zinc/50/06/54/598500654.db2.gz XKHIJTQNYWFPSV-SNVBAGLBSA-N -1 3 386.441 2.573 20 5 GFBDHM CCc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)n1 ZINC000736700853 598500656 /nfs/dbraw/zinc/50/06/56/598500656.db2.gz XKHIJTQNYWFPSV-SNVBAGLBSA-N -1 3 386.441 2.573 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738231443 598703452 /nfs/dbraw/zinc/70/34/52/598703452.db2.gz MTQCNQTWLRKEDY-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738231443 598703454 /nfs/dbraw/zinc/70/34/54/598703454.db2.gz MTQCNQTWLRKEDY-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738229801 598711641 /nfs/dbraw/zinc/71/16/41/598711641.db2.gz ANINWYXRHGEAAY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738229801 598711643 /nfs/dbraw/zinc/71/16/43/598711643.db2.gz ANINWYXRHGEAAY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000737946311 598714066 /nfs/dbraw/zinc/71/40/66/598714066.db2.gz AGIJGRKDHXPQBM-UHFFFAOYSA-N -1 3 377.407 2.672 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1csc([N+](=O)[O-])c1 ZINC000737946311 598714068 /nfs/dbraw/zinc/71/40/68/598714068.db2.gz AGIJGRKDHXPQBM-UHFFFAOYSA-N -1 3 377.407 2.672 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000821702419 599386600 /nfs/dbraw/zinc/38/66/00/599386600.db2.gz SJTKAAQSBVSIRD-UHFFFAOYSA-N -1 3 380.364 2.817 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000821702419 599386604 /nfs/dbraw/zinc/38/66/04/599386604.db2.gz SJTKAAQSBVSIRD-UHFFFAOYSA-N -1 3 380.364 2.817 20 5 GFBDHM CCNc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821309785 599557563 /nfs/dbraw/zinc/55/75/63/599557563.db2.gz UCDUKXUGEKCWIT-LLVKDONJSA-N -1 3 381.396 2.698 20 5 GFBDHM CCNc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821309785 599557566 /nfs/dbraw/zinc/55/75/66/599557566.db2.gz UCDUKXUGEKCWIT-LLVKDONJSA-N -1 3 381.396 2.698 20 5 GFBDHM CO[C@]1(C)C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678615 599688385 /nfs/dbraw/zinc/68/83/85/599688385.db2.gz QCKJZRMJLBKTKB-KBXCAEBGSA-N -1 3 383.412 2.939 20 5 GFBDHM CO[C@]1(C)C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678615 599688386 /nfs/dbraw/zinc/68/83/86/599688386.db2.gz QCKJZRMJLBKTKB-KBXCAEBGSA-N -1 3 383.412 2.939 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251606 607402680 /nfs/dbraw/zinc/40/26/80/607402680.db2.gz VFEAAKJLPJFGFS-HUUCEWRRSA-N -1 3 397.395 2.621 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251606 607402681 /nfs/dbraw/zinc/40/26/81/607402681.db2.gz VFEAAKJLPJFGFS-HUUCEWRRSA-N -1 3 397.395 2.621 20 5 GFBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045020 601656568 /nfs/dbraw/zinc/65/65/68/601656568.db2.gz OQEQUTMKZIHBFY-BFUOFWGJSA-N -1 3 383.404 2.536 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832905743 601729443 /nfs/dbraw/zinc/72/94/43/601729443.db2.gz SFEQRBGBCXOLIG-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826401384 607594981 /nfs/dbraw/zinc/59/49/81/607594981.db2.gz XALAYYINNNENCS-FMIVXFBMSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826401384 607594984 /nfs/dbraw/zinc/59/49/84/607594984.db2.gz XALAYYINNNENCS-FMIVXFBMSA-N -1 3 390.403 2.979 20 5 GFBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1-c1nnn[n-]1 ZINC000826205816 607600959 /nfs/dbraw/zinc/60/09/59/607600959.db2.gz OLMVBYINBLDQGE-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1-c1nn[n-]n1 ZINC000826205816 607600961 /nfs/dbraw/zinc/60/09/61/607600961.db2.gz OLMVBYINBLDQGE-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nnn[n-]1 ZINC000826205593 607602567 /nfs/dbraw/zinc/60/25/67/607602567.db2.gz BVTSIXCRVTWDSQ-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nn[n-]n1 ZINC000826205593 607602568 /nfs/dbraw/zinc/60/25/68/607602568.db2.gz BVTSIXCRVTWDSQ-UHFFFAOYSA-N -1 3 395.331 2.887 20 5 GFBDHM C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833616197 605020095 /nfs/dbraw/zinc/02/00/95/605020095.db2.gz XHMRUKFUARFBMI-CYBMUJFWSA-N -1 3 395.481 2.766 20 5 GFBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497879 606342018 /nfs/dbraw/zinc/34/20/18/606342018.db2.gz WDISIBUDBDDHRZ-SNVBAGLBSA-N -1 3 387.327 2.597 20 5 GFBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497879 606342019 /nfs/dbraw/zinc/34/20/19/606342019.db2.gz WDISIBUDBDDHRZ-SNVBAGLBSA-N -1 3 387.327 2.597 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823644245 606452886 /nfs/dbraw/zinc/45/28/86/606452886.db2.gz HJXARWWFEUKOSI-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000823644245 606452889 /nfs/dbraw/zinc/45/28/89/606452889.db2.gz HJXARWWFEUKOSI-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000820455124 606644672 /nfs/dbraw/zinc/64/46/72/606644672.db2.gz DPUUPGUMCFCMTC-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000822271091 606722097 /nfs/dbraw/zinc/72/20/97/606722097.db2.gz LZYAOKVVZMONND-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000822271091 606722098 /nfs/dbraw/zinc/72/20/98/606722098.db2.gz LZYAOKVVZMONND-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1nc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1[N+](=O)[O-] ZINC000822449682 606812976 /nfs/dbraw/zinc/81/29/76/606812976.db2.gz JZQADYOLECSNCX-MRXNPFEDSA-N -1 3 397.395 2.520 20 5 GFBDHM Cc1nc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1[N+](=O)[O-] ZINC000822449682 606812978 /nfs/dbraw/zinc/81/29/78/606812978.db2.gz JZQADYOLECSNCX-MRXNPFEDSA-N -1 3 397.395 2.520 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823122457 607081560 /nfs/dbraw/zinc/08/15/60/607081560.db2.gz BNTRTSXGLYNWBQ-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823122457 607081562 /nfs/dbraw/zinc/08/15/62/607081562.db2.gz BNTRTSXGLYNWBQ-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1sccc1-c1nnn[n-]1 ZINC000826420433 607817244 /nfs/dbraw/zinc/81/72/44/607817244.db2.gz MOFXBDWHTYNYLP-UHFFFAOYSA-N -1 3 376.423 2.708 20 5 GFBDHM O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1sccc1-c1nn[n-]n1 ZINC000826420433 607817245 /nfs/dbraw/zinc/81/72/45/607817245.db2.gz MOFXBDWHTYNYLP-UHFFFAOYSA-N -1 3 376.423 2.708 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826420567 607834775 /nfs/dbraw/zinc/83/47/75/607834775.db2.gz SEEZAHGLJSFVMA-UHFFFAOYSA-N -1 3 396.432 2.846 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826420567 607834776 /nfs/dbraw/zinc/83/47/76/607834776.db2.gz SEEZAHGLJSFVMA-UHFFFAOYSA-N -1 3 396.432 2.846 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1[N+](=O)[O-] ZINC000826292238 607863481 /nfs/dbraw/zinc/86/34/81/607863481.db2.gz MJNRPHIFHDNWNQ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1[N+](=O)[O-] ZINC000826292238 607863482 /nfs/dbraw/zinc/86/34/82/607863482.db2.gz MJNRPHIFHDNWNQ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826497316 607873418 /nfs/dbraw/zinc/87/34/18/607873418.db2.gz CDUCSSRCNCGYNR-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826497316 607873419 /nfs/dbraw/zinc/87/34/19/607873419.db2.gz CDUCSSRCNCGYNR-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826278082 607961181 /nfs/dbraw/zinc/96/11/81/607961181.db2.gz QOLJQDQBZOJZJF-UHFFFAOYSA-N -1 3 379.380 2.674 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826278082 607961182 /nfs/dbraw/zinc/96/11/82/607961182.db2.gz QOLJQDQBZOJZJF-UHFFFAOYSA-N -1 3 379.380 2.674 20 5 GFBDHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455549 608153686 /nfs/dbraw/zinc/15/36/86/608153686.db2.gz TWGHFMDLRDKFJF-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455549 608153688 /nfs/dbraw/zinc/15/36/88/608153688.db2.gz TWGHFMDLRDKFJF-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM COCCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000826155494 608161153 /nfs/dbraw/zinc/16/11/53/608161153.db2.gz RSVYAZSUNUXWEO-UHFFFAOYSA-N -1 3 394.819 2.964 20 5 GFBDHM COCCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000826155494 608161155 /nfs/dbraw/zinc/16/11/55/608161155.db2.gz RSVYAZSUNUXWEO-UHFFFAOYSA-N -1 3 394.819 2.964 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824492438 608405600 /nfs/dbraw/zinc/40/56/00/608405600.db2.gz YPVYVDQMIDKWMM-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824492438 608405601 /nfs/dbraw/zinc/40/56/01/608405601.db2.gz YPVYVDQMIDKWMM-NWDGAFQWSA-N -1 3 381.396 2.896 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(CCOc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826499448 609313591 /nfs/dbraw/zinc/31/35/91/609313591.db2.gz JBMYVPFEFMDTJV-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(CCOc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826499448 609313593 /nfs/dbraw/zinc/31/35/93/609313593.db2.gz JBMYVPFEFMDTJV-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498852 609317930 /nfs/dbraw/zinc/31/79/30/609317930.db2.gz MDOPDQXRPLLOJK-UHFFFAOYSA-N -1 3 388.391 2.523 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCc3c(ncn3-c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498852 609317931 /nfs/dbraw/zinc/31/79/31/609317931.db2.gz MDOPDQXRPLLOJK-UHFFFAOYSA-N -1 3 388.391 2.523 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826468328 609331384 /nfs/dbraw/zinc/33/13/84/609331384.db2.gz LNEGGNZGUWTRGW-UHFFFAOYSA-N -1 3 379.254 2.611 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826468328 609331386 /nfs/dbraw/zinc/33/13/86/609331386.db2.gz LNEGGNZGUWTRGW-UHFFFAOYSA-N -1 3 379.254 2.611 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000826465238 609613891 /nfs/dbraw/zinc/61/38/91/609613891.db2.gz FDTCCQGLKUQIKZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000826465238 609613893 /nfs/dbraw/zinc/61/38/93/609613893.db2.gz FDTCCQGLKUQIKZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434888 660656356 /nfs/dbraw/zinc/65/63/56/660656356.db2.gz NWAUAELCYSRJMP-VIFPVBQESA-N -1 3 382.269 2.522 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 ZINC000267652028 654940508 /nfs/dbraw/zinc/94/05/08/654940508.db2.gz UWNTXESIGWVYMI-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2F)c1 ZINC000158097979 655104773 /nfs/dbraw/zinc/10/47/73/655104773.db2.gz DOJMWKGXKOJKNA-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@H]1CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 ZINC000162943021 655134075 /nfs/dbraw/zinc/13/40/75/655134075.db2.gz GCDKHDAXIDFXRF-IUCAKERBSA-N -1 3 393.259 2.592 20 5 GFBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000579292641 655497181 /nfs/dbraw/zinc/49/71/81/655497181.db2.gz UQCNDWOTDBVPOZ-VIFPVBQESA-N -1 3 384.285 2.909 20 5 GFBDHM Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950167 661216472 /nfs/dbraw/zinc/21/64/72/661216472.db2.gz FOJFDCXHAHWGRZ-VIFPVBQESA-N -1 3 390.824 2.507 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1 ZINC000763377826 656081269 /nfs/dbraw/zinc/08/12/69/656081269.db2.gz HQXXKMAGRUULMN-ZETCQYMHSA-N -1 3 385.186 2.823 20 5 GFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000794426541 658542756 /nfs/dbraw/zinc/54/27/56/658542756.db2.gz FLMNFYLOLWXFPD-UHFFFAOYSA-N -1 3 384.146 2.734 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C2CCN(CC3CC3)CC2)c1 ZINC000795805200 658853255 /nfs/dbraw/zinc/85/32/55/658853255.db2.gz DUNSHHVIHOEZPF-UHFFFAOYSA-N -1 3 391.852 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805056626 659729381 /nfs/dbraw/zinc/72/93/81/659729381.db2.gz DQJDNSRTFBUKRA-UHFFFAOYSA-N -1 3 394.211 2.957 20 5 GFBDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809847383 659948924 /nfs/dbraw/zinc/94/89/24/659948924.db2.gz RFJRIGWQJQFLLT-JTQLQIEISA-N -1 3 381.857 2.786 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000815003335 660100800 /nfs/dbraw/zinc/10/08/00/660100800.db2.gz OZBYVJZAFYQXNC-NSHDSACASA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034805 660105184 /nfs/dbraw/zinc/10/51/84/660105184.db2.gz CEAICPGLJNFALJ-WDEREUQCSA-N -1 3 393.868 2.786 20 5 GFBDHM COC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000815054934 660107628 /nfs/dbraw/zinc/10/76/28/660107628.db2.gz PIWWOTKATJTNOT-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=[N+]([O-])c1cnc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000521891033 532520470 /nfs/dbraw/zinc/52/04/70/532520470.db2.gz QNMNYDACYZBUIG-UHFFFAOYSA-N -1 3 397.265 2.749 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000024485177 551118688 /nfs/dbraw/zinc/11/86/88/551118688.db2.gz SRRFUGZFQBTNBF-LBPRGKRZSA-N -1 3 384.435 2.547 20 5 GFBDHM CCSc1nnc([N-]C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000033148082 551132869 /nfs/dbraw/zinc/13/28/69/551132869.db2.gz JXWGWUVGAQNSPU-UHFFFAOYSA-N -1 3 376.423 2.996 20 5 GFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000173806288 552092041 /nfs/dbraw/zinc/09/20/41/552092041.db2.gz QXPKLFYAGPTSQL-UHFFFAOYSA-N -1 3 375.859 2.788 20 5 GFBDHM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000183716724 552317563 /nfs/dbraw/zinc/31/75/63/552317563.db2.gz SKIGCDDBKGWQCL-UHFFFAOYSA-N -1 3 395.384 2.732 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000184149256 552328321 /nfs/dbraw/zinc/32/83/21/552328321.db2.gz XCJOCCBQMMVVEH-UHFFFAOYSA-N -1 3 379.419 2.931 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000186887438 552400623 /nfs/dbraw/zinc/40/06/23/552400623.db2.gz DWJRMVWUPNGDSW-MRVPVSSYSA-N -1 3 375.403 2.547 20 5 GFBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000188750018 552454610 /nfs/dbraw/zinc/45/46/10/552454610.db2.gz DGKOLBGERAUJAJ-JTQLQIEISA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(Br)c1 ZINC000447032414 563872495 /nfs/dbraw/zinc/87/24/95/563872495.db2.gz XTLLTTHSPMKHIX-SNVBAGLBSA-N -1 3 375.244 2.992 20 5 GFBDHM O=[N+]([O-])c1cccc2c(NCC[N-]S(=O)(=O)c3cccs3)ccnc21 ZINC000432343036 563581443 /nfs/dbraw/zinc/58/14/43/563581443.db2.gz QHXDCNCWSWPFDB-UHFFFAOYSA-N -1 3 378.435 2.595 20 5 GFBDHM CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)ccc1F ZINC000350821760 563676595 /nfs/dbraw/zinc/67/65/95/563676595.db2.gz ARIKEVKGHPRQLF-UHFFFAOYSA-N -1 3 384.370 2.884 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077889 563735637 /nfs/dbraw/zinc/73/56/37/563735637.db2.gz KTXFBOJUNPAUMT-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416465489 563832815 /nfs/dbraw/zinc/83/28/15/563832815.db2.gz ZCBHWWGCOSUWLK-SNVBAGLBSA-N -1 3 384.376 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(Br)c1 ZINC000446943125 563870236 /nfs/dbraw/zinc/87/02/36/563870236.db2.gz WABIRSSUGXIDLS-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474297816 564273126 /nfs/dbraw/zinc/27/31/26/564273126.db2.gz FKWBRVOPWHAIBT-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000542719322 564322500 /nfs/dbraw/zinc/32/25/00/564322500.db2.gz HIMRBZXIPKXOON-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511306214 564366397 /nfs/dbraw/zinc/36/63/97/564366397.db2.gz MXENROYYFGCWII-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM COc1cccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1OC ZINC000545234658 564415122 /nfs/dbraw/zinc/41/51/22/564415122.db2.gz REKUUAOMSQGNIT-UHFFFAOYSA-N -1 3 386.451 2.503 20 5 GFBDHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000570099526 564491532 /nfs/dbraw/zinc/49/15/32/564491532.db2.gz UKDFYHKDOBYXCY-UHFFFAOYSA-N -1 3 380.813 2.613 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000547745768 564509740 /nfs/dbraw/zinc/50/97/40/564509740.db2.gz IDTDMVXUNXREBC-UHFFFAOYSA-N -1 3 395.209 2.801 20 5 GFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000490093646 564763109 /nfs/dbraw/zinc/76/31/09/564763109.db2.gz PORSMHJDEZGJJL-CQSZACIVSA-N -1 3 376.862 2.714 20 5 GFBDHM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000494582835 564834181 /nfs/dbraw/zinc/83/41/81/564834181.db2.gz BZLSNEGNSBRLPU-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM O=C(Cn1ccc([N+](=O)[O-])n1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000530798566 564895104 /nfs/dbraw/zinc/89/51/04/564895104.db2.gz WELTWMKJGAIVHE-UHFFFAOYSA-N -1 3 381.179 2.549 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000466522298 564942788 /nfs/dbraw/zinc/94/27/88/564942788.db2.gz KWJGGLKXVFJQAG-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264350 564959950 /nfs/dbraw/zinc/95/99/50/564959950.db2.gz MLHXWLONBQZKQQ-CQSZACIVSA-N -1 3 381.479 2.518 20 5 GFBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000615946824 565180614 /nfs/dbraw/zinc/18/06/14/565180614.db2.gz IVHBSKMDMBQJLT-GFCCVEGCSA-N -1 3 386.861 2.700 20 5 GFBDHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593654031 565353982 /nfs/dbraw/zinc/35/39/82/565353982.db2.gz FTDOZFUIJJVVNX-VIFPVBQESA-N -1 3 382.360 2.707 20 5 GFBDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595393679 565472766 /nfs/dbraw/zinc/47/27/66/565472766.db2.gz YKVBLQKJJOAWKI-JTQLQIEISA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461920 565680973 /nfs/dbraw/zinc/68/09/73/565680973.db2.gz XNQYRDKHUCPASB-NMSKTSORSA-N -1 3 382.360 2.704 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000604429651 565929772 /nfs/dbraw/zinc/92/97/72/565929772.db2.gz SQFXXBHUVMBOMR-UHFFFAOYSA-N -1 3 381.841 2.542 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711803 566093941 /nfs/dbraw/zinc/09/39/41/566093941.db2.gz KRDXFXRJHFXXEL-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736168804 598859175 /nfs/dbraw/zinc/85/91/75/598859175.db2.gz KDVWGMKVJUXXBM-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000821656838 599069723 /nfs/dbraw/zinc/06/97/23/599069723.db2.gz ALOIHCNHZVSNGO-XVNBXDOJSA-N -1 3 398.354 2.712 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000821656838 599069726 /nfs/dbraw/zinc/06/97/26/599069726.db2.gz ALOIHCNHZVSNGO-XVNBXDOJSA-N -1 3 398.354 2.712 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820281168 599092575 /nfs/dbraw/zinc/09/25/75/599092575.db2.gz STPSKWCCMHULEV-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820281168 599092577 /nfs/dbraw/zinc/09/25/77/599092577.db2.gz STPSKWCCMHULEV-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823224122 599248227 /nfs/dbraw/zinc/24/82/27/599248227.db2.gz PVNYGXFKJCUHNC-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823224122 599248229 /nfs/dbraw/zinc/24/82/29/599248229.db2.gz PVNYGXFKJCUHNC-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N(Cc3ccccn3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643842 607304135 /nfs/dbraw/zinc/30/41/35/607304135.db2.gz CPLSDUZWCSTPBG-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N(Cc3ccccn3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643842 607304136 /nfs/dbraw/zinc/30/41/36/607304136.db2.gz CPLSDUZWCSTPBG-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3Cc4ccccc4O3)cc(-c3nnn[n-]3)c2c1 ZINC000738366962 599271569 /nfs/dbraw/zinc/27/15/69/599271569.db2.gz LHOIPGSYVBGBTK-ZDUSSCGKSA-N -1 3 389.375 2.739 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3Cc4ccccc4O3)cc(-c3nn[n-]n3)c2c1 ZINC000738366962 599271571 /nfs/dbraw/zinc/27/15/71/599271571.db2.gz LHOIPGSYVBGBTK-ZDUSSCGKSA-N -1 3 389.375 2.739 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231255 598432314 /nfs/dbraw/zinc/43/23/14/598432314.db2.gz KPWHPSWUGDLSMS-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231255 598432316 /nfs/dbraw/zinc/43/23/16/598432316.db2.gz KPWHPSWUGDLSMS-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000737214030 598546580 /nfs/dbraw/zinc/54/65/80/598546580.db2.gz CJSBYKQHYZBZIE-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000737214030 598546581 /nfs/dbraw/zinc/54/65/81/598546581.db2.gz CJSBYKQHYZBZIE-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Oc1cccc([N+](=O)[O-])c1 ZINC000737841040 598645694 /nfs/dbraw/zinc/64/56/94/598645694.db2.gz JHFKUKLTLQTDFL-UHFFFAOYSA-N -1 3 383.364 2.930 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Oc1cccc([N+](=O)[O-])c1 ZINC000737841040 598645696 /nfs/dbraw/zinc/64/56/96/598645696.db2.gz JHFKUKLTLQTDFL-UHFFFAOYSA-N -1 3 383.364 2.930 20 5 GFBDHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000738271520 598673438 /nfs/dbraw/zinc/67/34/38/598673438.db2.gz WHYVHPAWWYVCIH-UHFFFAOYSA-N -1 3 380.364 2.803 20 5 GFBDHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000738271520 598673439 /nfs/dbraw/zinc/67/34/39/598673439.db2.gz WHYVHPAWWYVCIH-UHFFFAOYSA-N -1 3 380.364 2.803 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738359509 598756744 /nfs/dbraw/zinc/75/67/44/598756744.db2.gz SIWRENXHXCKVGB-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM Nc1nc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ncc1[N+](=O)[O-] ZINC000737776227 598796809 /nfs/dbraw/zinc/79/68/09/598796809.db2.gz LFDWKOGCSZVRHK-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820570407 599569495 /nfs/dbraw/zinc/56/94/95/599569495.db2.gz JGUSSNSJFOESQG-CYBMUJFWSA-N -1 3 397.414 2.797 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000821745438 607412340 /nfs/dbraw/zinc/41/23/40/607412340.db2.gz WFWAWIXEHVUBQB-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000821745438 607412341 /nfs/dbraw/zinc/41/23/41/607412341.db2.gz WFWAWIXEHVUBQB-UHFFFAOYSA-N -1 3 375.366 2.510 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826246246 607432273 /nfs/dbraw/zinc/43/22/73/607432273.db2.gz XVFHHCZPPWXAQR-SFHVURJKSA-N -1 3 396.432 2.971 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826246246 607432276 /nfs/dbraw/zinc/43/22/76/607432276.db2.gz XVFHHCZPPWXAQR-SFHVURJKSA-N -1 3 396.432 2.971 20 5 GFBDHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000832864011 601740850 /nfs/dbraw/zinc/74/08/50/601740850.db2.gz ZPVUPRSAJGPUOD-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824744634 607524181 /nfs/dbraw/zinc/52/41/81/607524181.db2.gz CPGWJUANWYQEDH-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824744634 607524183 /nfs/dbraw/zinc/52/41/83/607524183.db2.gz CPGWJUANWYQEDH-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM O=C([O-])NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000832657671 603574881 /nfs/dbraw/zinc/57/48/81/603574881.db2.gz DIWMCDIWCCSEMC-UHFFFAOYSA-N -1 3 384.186 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499834 607682140 /nfs/dbraw/zinc/68/21/40/607682140.db2.gz ZPTPESNLZJOTQG-OLZOCXBDSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499834 607682143 /nfs/dbraw/zinc/68/21/43/607682143.db2.gz ZPTPESNLZJOTQG-OLZOCXBDSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823644259 606085364 /nfs/dbraw/zinc/08/53/64/606085364.db2.gz ICOKFGAESNTKNV-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823644259 606085371 /nfs/dbraw/zinc/08/53/71/606085371.db2.gz ICOKFGAESNTKNV-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822212702 606136225 /nfs/dbraw/zinc/13/62/25/606136225.db2.gz DAMVEUOJEYLEFV-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822212702 606136226 /nfs/dbraw/zinc/13/62/26/606136226.db2.gz DAMVEUOJEYLEFV-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822195598 606244065 /nfs/dbraw/zinc/24/40/65/606244065.db2.gz XVOMWQOLKWLUMN-HNNXBMFYSA-N -1 3 393.407 2.609 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822195598 606244067 /nfs/dbraw/zinc/24/40/67/606244067.db2.gz XVOMWQOLKWLUMN-HNNXBMFYSA-N -1 3 393.407 2.609 20 5 GFBDHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919662 606309320 /nfs/dbraw/zinc/30/93/20/606309320.db2.gz FHRNUKTXQIMJJI-SJORKVTESA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@@H](N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919662 606309322 /nfs/dbraw/zinc/30/93/22/606309322.db2.gz FHRNUKTXQIMJJI-SJORKVTESA-N -1 3 396.407 2.730 20 5 GFBDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000821702823 606346448 /nfs/dbraw/zinc/34/64/48/606346448.db2.gz BUFMCODBAIVMKB-SNVBAGLBSA-N -1 3 399.363 2.710 20 5 GFBDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000821702823 606346450 /nfs/dbraw/zinc/34/64/50/606346450.db2.gz BUFMCODBAIVMKB-SNVBAGLBSA-N -1 3 399.363 2.710 20 5 GFBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000822266772 606378637 /nfs/dbraw/zinc/37/86/37/606378637.db2.gz HXFPXNGJWFMMFD-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000822266772 606378639 /nfs/dbraw/zinc/37/86/39/606378639.db2.gz HXFPXNGJWFMMFD-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(C)[C@H]1OCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044351 606471991 /nfs/dbraw/zinc/47/19/91/606471991.db2.gz GCVXEYFUSAXVKG-APPDUMDISA-N -1 3 383.412 2.796 20 5 GFBDHM CC(C)[C@H]1OCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044351 606471992 /nfs/dbraw/zinc/47/19/92/606471992.db2.gz GCVXEYFUSAXVKG-APPDUMDISA-N -1 3 383.412 2.796 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000820455123 606644458 /nfs/dbraw/zinc/64/44/58/606644458.db2.gz DPUUPGUMCFCMTC-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823426234 606759883 /nfs/dbraw/zinc/75/98/83/606759883.db2.gz DYMIKOPOZXIVSX-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823426234 606759885 /nfs/dbraw/zinc/75/98/85/606759885.db2.gz DYMIKOPOZXIVSX-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2-c2nnn[n-]2)C1 ZINC000820733449 606808660 /nfs/dbraw/zinc/80/86/60/606808660.db2.gz FXOZRNAQOCGWAV-QMMMGPOBSA-N -1 3 385.409 2.609 20 5 GFBDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2-c2nn[n-]n2)C1 ZINC000820733449 606808662 /nfs/dbraw/zinc/80/86/62/606808662.db2.gz FXOZRNAQOCGWAV-QMMMGPOBSA-N -1 3 385.409 2.609 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823651145 606878039 /nfs/dbraw/zinc/87/80/39/606878039.db2.gz GYSIOEYIHGNHEQ-LBPRGKRZSA-N -1 3 383.393 2.530 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000823651145 606878040 /nfs/dbraw/zinc/87/80/40/606878040.db2.gz GYSIOEYIHGNHEQ-LBPRGKRZSA-N -1 3 383.393 2.530 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000823401614 606947720 /nfs/dbraw/zinc/94/77/20/606947720.db2.gz YYSKIOYCQVDOAI-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000823401614 606947722 /nfs/dbraw/zinc/94/77/22/606947722.db2.gz YYSKIOYCQVDOAI-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823405187 606947810 /nfs/dbraw/zinc/94/78/10/606947810.db2.gz KWKMINQAJBZSEE-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823405187 606947812 /nfs/dbraw/zinc/94/78/12/606947812.db2.gz KWKMINQAJBZSEE-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224235 607196056 /nfs/dbraw/zinc/19/60/56/607196056.db2.gz VIHVAAIIVBOIJG-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224235 607196057 /nfs/dbraw/zinc/19/60/57/607196057.db2.gz VIHVAAIIVBOIJG-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM CC(C)c1ccccc1OC[C@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824352489 607869863 /nfs/dbraw/zinc/86/98/63/607869863.db2.gz FWUBJQUHRXAPTD-AWEZNQCLSA-N -1 3 399.407 2.717 20 5 GFBDHM CC(C)c1ccccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824352489 607869864 /nfs/dbraw/zinc/86/98/64/607869864.db2.gz FWUBJQUHRXAPTD-AWEZNQCLSA-N -1 3 399.407 2.717 20 5 GFBDHM CC(C)(C)Oc1cc(NCCNc2ncccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000824119028 608121747 /nfs/dbraw/zinc/12/17/47/608121747.db2.gz AHZYSTZKAJUTAW-UHFFFAOYSA-N -1 3 398.427 2.871 20 5 GFBDHM CC(C)(C)Oc1cc(NCCNc2ncccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000824119028 608121748 /nfs/dbraw/zinc/12/17/48/608121748.db2.gz AHZYSTZKAJUTAW-UHFFFAOYSA-N -1 3 398.427 2.871 20 5 GFBDHM COC1CCC(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000826144198 608162653 /nfs/dbraw/zinc/16/26/53/608162653.db2.gz DJTOIKZAAVMCEM-UHFFFAOYSA-N -1 3 394.819 2.962 20 5 GFBDHM COC1CCC(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000826144198 608162654 /nfs/dbraw/zinc/16/26/54/608162654.db2.gz DJTOIKZAAVMCEM-UHFFFAOYSA-N -1 3 394.819 2.962 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826500935 608234326 /nfs/dbraw/zinc/23/43/26/608234326.db2.gz SAEQFSHTMMVROA-MRXNPFEDSA-N -1 3 392.354 2.906 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826500935 608234327 /nfs/dbraw/zinc/23/43/27/608234327.db2.gz SAEQFSHTMMVROA-MRXNPFEDSA-N -1 3 392.354 2.906 20 5 GFBDHM Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826289355 608236865 /nfs/dbraw/zinc/23/68/65/608236865.db2.gz WVFDHLGPHWBNNN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826289355 608236867 /nfs/dbraw/zinc/23/68/67/608236867.db2.gz WVFDHLGPHWBNNN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826171743 608345782 /nfs/dbraw/zinc/34/57/82/608345782.db2.gz WVFVDAFFEMOLSS-WTKPLQERSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826171743 608345783 /nfs/dbraw/zinc/34/57/83/608345783.db2.gz WVFVDAFFEMOLSS-WTKPLQERSA-N -1 3 381.348 2.540 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441705 608810435 /nfs/dbraw/zinc/81/04/35/608810435.db2.gz PYMKXMVDVNUKQY-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441705 608810438 /nfs/dbraw/zinc/81/04/38/608810438.db2.gz PYMKXMVDVNUKQY-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499259 609169812 /nfs/dbraw/zinc/16/98/12/609169812.db2.gz BJQFKEVABFSQNJ-QGZVFWFLSA-N -1 3 395.423 2.719 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499259 609169814 /nfs/dbraw/zinc/16/98/14/609169814.db2.gz BJQFKEVABFSQNJ-QGZVFWFLSA-N -1 3 395.423 2.719 20 5 GFBDHM Cc1cc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267210 609284524 /nfs/dbraw/zinc/28/45/24/609284524.db2.gz WJDVOFFGUSHDME-LBPRGKRZSA-N -1 3 383.364 2.594 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826465117 609396139 /nfs/dbraw/zinc/39/61/39/609396139.db2.gz ZLWYULQWVYVLOG-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826465117 609396140 /nfs/dbraw/zinc/39/61/40/609396140.db2.gz ZLWYULQWVYVLOG-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM Cc1cc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826270496 609574698 /nfs/dbraw/zinc/57/46/98/609574698.db2.gz CIMLPRAHPYGWOD-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1cc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826270496 609574701 /nfs/dbraw/zinc/57/47/01/609574701.db2.gz CIMLPRAHPYGWOD-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000828373775 660545498 /nfs/dbraw/zinc/54/54/98/660545498.db2.gz IOWAEILHEUKPQL-LPEHRKFASA-N -1 3 375.244 2.824 20 5 GFBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 ZINC000269833170 655023907 /nfs/dbraw/zinc/02/39/07/655023907.db2.gz ZWLDLMPRGIIJRZ-UHFFFAOYSA-N -1 3 382.423 2.526 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1 ZINC000112090670 655182115 /nfs/dbraw/zinc/18/21/15/655182115.db2.gz IHFKIRAWFOLIDW-SNVBAGLBSA-N -1 3 383.813 2.554 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000119901504 655320459 /nfs/dbraw/zinc/32/04/59/655320459.db2.gz LWTAVKYYSBBNSB-LLVKDONJSA-N -1 3 378.435 2.882 20 5 GFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000742277507 655713669 /nfs/dbraw/zinc/71/36/69/655713669.db2.gz XAOTUMMKKOPOTD-UHFFFAOYSA-N -1 3 389.227 2.780 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCSC2)c1 ZINC000749109454 655800729 /nfs/dbraw/zinc/80/07/29/655800729.db2.gz ZSWLUDDUMAPTCP-MRVPVSSYSA-N -1 3 381.273 2.531 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1 ZINC000805139013 659749060 /nfs/dbraw/zinc/74/90/60/659749060.db2.gz MMOGOQLTFJKXKL-VIFPVBQESA-N -1 3 395.300 2.779 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000848509156 661658931 /nfs/dbraw/zinc/65/89/31/661658931.db2.gz UQNIDFPSOINVMH-QWHCGFSZSA-N -1 3 391.852 2.683 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)cc1Cl ZINC000859346951 662155107 /nfs/dbraw/zinc/15/51/07/662155107.db2.gz HQRZJICAWHEKQH-NSHDSACASA-N -1 3 391.852 2.683 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000916108315 664450399 /nfs/dbraw/zinc/45/03/99/664450399.db2.gz VWRLFRFJCGGKHN-UHFFFAOYSA-N -1 3 387.757 2.966 20 5 GFBDHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055989595 551175535 /nfs/dbraw/zinc/17/55/35/551175535.db2.gz ZMHLBBVFEBCCGH-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc12 ZINC000128812355 551352850 /nfs/dbraw/zinc/35/28/50/551352850.db2.gz MROWYSLCFMFYNA-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)Cc1ccccc1 ZINC000129291663 551355497 /nfs/dbraw/zinc/35/54/97/551355497.db2.gz YPUPVWYFDKADRH-NHYWBVRUSA-N -1 3 384.841 2.519 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000157706928 551541506 /nfs/dbraw/zinc/54/15/06/551541506.db2.gz TUXSZRGXAATZON-CHWSQXEVSA-N -1 3 393.259 2.593 20 5 GFBDHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000161229367 551591696 /nfs/dbraw/zinc/59/16/96/551591696.db2.gz NTMMOWDFSJOQLV-UHFFFAOYSA-N -1 3 385.829 2.909 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000163407084 551619825 /nfs/dbraw/zinc/61/98/25/551619825.db2.gz IUTJQIZQVBGVBH-LBPRGKRZSA-N -1 3 384.376 2.953 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173373439 552084555 /nfs/dbraw/zinc/08/45/55/552084555.db2.gz IHLRJWQIFKNACC-OAHLLOKOSA-N -1 3 385.467 2.972 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190057201 552486687 /nfs/dbraw/zinc/48/66/87/552486687.db2.gz GGVMXKCSYODKPX-XACMVJRISA-N -1 3 388.511 2.570 20 5 GFBDHM CCn1ccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295591175 563255107 /nfs/dbraw/zinc/25/51/07/563255107.db2.gz WPOKMNNHOAXKKH-UHFFFAOYSA-N -1 3 379.225 2.597 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000420741626 563281650 /nfs/dbraw/zinc/28/16/50/563281650.db2.gz TZOBTRNQGBKINU-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)c(F)c1 ZINC000314584258 563439581 /nfs/dbraw/zinc/43/95/81/563439581.db2.gz GMFRGKZWQWYXEB-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(Br)ccn1 ZINC000432260188 563578038 /nfs/dbraw/zinc/57/80/38/563578038.db2.gz SOWZOMUACMDTPO-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000433359426 563610588 /nfs/dbraw/zinc/61/05/88/563610588.db2.gz IFJNYOXECBYSPL-UHFFFAOYSA-N -1 3 395.300 2.921 20 5 GFBDHM CC(C)OCc1nc([C@@H](C)[N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000290789911 563721035 /nfs/dbraw/zinc/72/10/35/563721035.db2.gz NYBSIZRFVKARBV-MRVPVSSYSA-N -1 3 390.443 2.541 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416597925 563851805 /nfs/dbraw/zinc/85/18/05/563851805.db2.gz GLMQXWVTPMNNMI-OPRDCNLKSA-N -1 3 382.360 2.705 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601796 563852091 /nfs/dbraw/zinc/85/20/91/563852091.db2.gz WMHJTLFHCOYLFO-IONNQARKSA-N -1 3 381.273 2.530 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474300042 564273639 /nfs/dbraw/zinc/27/36/39/564273639.db2.gz WCDABVNJAZWYMR-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000541760825 564288163 /nfs/dbraw/zinc/28/81/63/564288163.db2.gz SVOCVVNOQUQQKM-AWEZNQCLSA-N -1 3 388.804 2.540 20 5 GFBDHM Cn1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2cccc(Cl)c21 ZINC000476216100 564330467 /nfs/dbraw/zinc/33/04/67/564330467.db2.gz JINIYMLJRZOSOX-UHFFFAOYSA-N -1 3 386.842 2.675 20 5 GFBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1c(F)cccc1Cl)OCCO2 ZINC000543032431 564335507 /nfs/dbraw/zinc/33/55/07/564335507.db2.gz IMTWAPHBVBFENW-UHFFFAOYSA-N -1 3 388.760 2.959 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451653453 564336088 /nfs/dbraw/zinc/33/60/88/564336088.db2.gz MNVMHOPFJVSCGI-NSHDSACASA-N -1 3 384.376 2.847 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCC(CSC)CC2)cc1[N+](=O)[O-] ZINC000451736398 564345499 /nfs/dbraw/zinc/34/54/99/564345499.db2.gz FOEJTDCUXZHACY-UHFFFAOYSA-N -1 3 392.474 2.943 20 5 GFBDHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611276 564348064 /nfs/dbraw/zinc/34/80/64/564348064.db2.gz YZRRQSIMTBXVOW-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831338 564357316 /nfs/dbraw/zinc/35/73/16/564357316.db2.gz ZNAGQUFLDJVFTL-FZMZJTMJSA-N -1 3 376.862 2.978 20 5 GFBDHM Cc1c(C[N-]S(=O)(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000480839413 564491023 /nfs/dbraw/zinc/49/10/23/564491023.db2.gz FCFOFBDTVPOIBW-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000481897096 564526752 /nfs/dbraw/zinc/52/67/52/564526752.db2.gz RSHHETVADIPPIB-UHFFFAOYSA-N -1 3 382.764 2.892 20 5 GFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000457115948 564648201 /nfs/dbraw/zinc/64/82/01/564648201.db2.gz DDAFZQBPTMFYKL-UHFFFAOYSA-N -1 3 380.202 2.846 20 5 GFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491587022 564793744 /nfs/dbraw/zinc/79/37/44/564793744.db2.gz UBBCMSREGGPKFI-YPMHNXCESA-N -1 3 378.447 2.695 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)cc1C ZINC000497732219 564874589 /nfs/dbraw/zinc/87/45/89/564874589.db2.gz IQKBPOLNBGNEBK-AWEZNQCLSA-N -1 3 383.495 2.854 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000557792588 564876920 /nfs/dbraw/zinc/87/69/20/564876920.db2.gz XPOQFGJBAPFIIH-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)cn1 ZINC000560576390 564968235 /nfs/dbraw/zinc/96/82/35/564968235.db2.gz WCUYTCRKAYARDX-UHFFFAOYSA-N -1 3 393.241 2.780 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000534411428 564988335 /nfs/dbraw/zinc/98/83/35/564988335.db2.gz RSOWFEBZIKOWPA-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000469221998 565010169 /nfs/dbraw/zinc/01/01/69/565010169.db2.gz MRBMVOIIJPAHAL-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM O=[N+]([O-])c1cc(I)cc(CNCc2ncccc2[O-])c1 ZINC000562078683 565017840 /nfs/dbraw/zinc/01/78/40/565017840.db2.gz SAIJLBAKXQOMCD-UHFFFAOYSA-N -1 3 385.161 2.590 20 5 GFBDHM CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000562400548 565027520 /nfs/dbraw/zinc/02/75/20/565027520.db2.gz LYDQLDBHQJKHMA-UHFFFAOYSA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000537182234 565054640 /nfs/dbraw/zinc/05/46/40/565054640.db2.gz DPHCVCXCGXMYLS-LLVKDONJSA-N -1 3 376.862 2.715 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000619486104 565343500 /nfs/dbraw/zinc/34/35/00/565343500.db2.gz OACVIJHNMBOJGA-UHFFFAOYSA-N -1 3 397.356 2.557 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2(CC(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000593633963 565350736 /nfs/dbraw/zinc/35/07/36/565350736.db2.gz UABXRYFOTTZOCX-UHFFFAOYSA-N -1 3 390.483 2.898 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461922 565681404 /nfs/dbraw/zinc/68/14/04/565681404.db2.gz XNQYRDKHUCPASB-YDEXJTGXSA-N -1 3 382.360 2.704 20 5 GFBDHM O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738110477 598847490 /nfs/dbraw/zinc/84/74/90/598847490.db2.gz DDYPAYSYGBUOBU-UHFFFAOYSA-N -1 3 395.404 2.762 20 5 GFBDHM O=[N+]([O-])c1c(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc2ncccc21 ZINC000823629805 599049550 /nfs/dbraw/zinc/04/95/50/599049550.db2.gz HPIGKQYXNPQCGB-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639626 599063146 /nfs/dbraw/zinc/06/31/46/599063146.db2.gz DWWGVXJDKNRWAF-HNNXBMFYSA-N -1 3 380.408 2.818 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639626 599063149 /nfs/dbraw/zinc/06/31/49/599063149.db2.gz DWWGVXJDKNRWAF-HNNXBMFYSA-N -1 3 380.408 2.818 20 5 GFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCNc1ccccc1[N+](=O)[O-] ZINC000737410379 599122732 /nfs/dbraw/zinc/12/27/32/599122732.db2.gz SCSNLZYOCVYMMH-UHFFFAOYSA-N -1 3 390.407 2.577 20 5 GFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCNc1ccccc1[N+](=O)[O-] ZINC000737410379 599122734 /nfs/dbraw/zinc/12/27/34/599122734.db2.gz SCSNLZYOCVYMMH-UHFFFAOYSA-N -1 3 390.407 2.577 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738368222 599159946 /nfs/dbraw/zinc/15/99/46/599159946.db2.gz AUJASXZISSHBMO-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738368222 599159947 /nfs/dbraw/zinc/15/99/47/599159947.db2.gz AUJASXZISSHBMO-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000738366666 599166115 /nfs/dbraw/zinc/16/61/15/599166115.db2.gz GYYQHNGGEONGQZ-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000738366666 599166117 /nfs/dbraw/zinc/16/61/17/599166117.db2.gz GYYQHNGGEONGQZ-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM CC(C)Oc1cccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000735912893 599205725 /nfs/dbraw/zinc/20/57/25/599205725.db2.gz JAUDNMFVHNRPQI-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1cccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000735912893 599205727 /nfs/dbraw/zinc/20/57/27/599205727.db2.gz JAUDNMFVHNRPQI-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM O=C(c1sccc1-c1nnn[n-]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738291585 599207366 /nfs/dbraw/zinc/20/73/66/599207366.db2.gz VKVNKAXDYLZHMN-HNNXBMFYSA-N -1 3 388.434 2.724 20 5 GFBDHM O=C(c1sccc1-c1nn[n-]n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738291585 599207369 /nfs/dbraw/zinc/20/73/69/599207369.db2.gz VKVNKAXDYLZHMN-HNNXBMFYSA-N -1 3 388.434 2.724 20 5 GFBDHM Cc1nc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000737470848 599265390 /nfs/dbraw/zinc/26/53/90/599265390.db2.gz ANYOEURILFOJNO-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM Cc1nc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000737470848 599265392 /nfs/dbraw/zinc/26/53/92/599265392.db2.gz ANYOEURILFOJNO-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCCO)Cc1cccc(Cl)c1 ZINC000823630289 607332157 /nfs/dbraw/zinc/33/21/57/607332157.db2.gz WALFYCXFIZIAKJ-UHFFFAOYSA-N -1 3 388.815 2.817 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCCO)Cc1cccc(Cl)c1 ZINC000823630289 607332158 /nfs/dbraw/zinc/33/21/58/607332158.db2.gz WALFYCXFIZIAKJ-UHFFFAOYSA-N -1 3 388.815 2.817 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738319367 598381089 /nfs/dbraw/zinc/38/10/89/598381089.db2.gz OLNRHESROPIPEH-RIYZIHGNSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738319367 598381091 /nfs/dbraw/zinc/38/10/91/598381091.db2.gz OLNRHESROPIPEH-RIYZIHGNSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000737942154 598650835 /nfs/dbraw/zinc/65/08/35/598650835.db2.gz WCJTZGTYNAIZMS-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000737942154 598650837 /nfs/dbraw/zinc/65/08/37/598650837.db2.gz WCJTZGTYNAIZMS-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM O=C(CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000737840665 598682618 /nfs/dbraw/zinc/68/26/18/598682618.db2.gz BYUCVXPXYWVQJO-UHFFFAOYSA-N -1 3 393.407 2.509 20 5 GFBDHM O=C(CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000737840665 598682619 /nfs/dbraw/zinc/68/26/19/598682619.db2.gz BYUCVXPXYWVQJO-UHFFFAOYSA-N -1 3 393.407 2.509 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738232535 598707397 /nfs/dbraw/zinc/70/73/97/598707397.db2.gz RTMNQVIBYQWKEI-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738232535 598707399 /nfs/dbraw/zinc/70/73/99/598707399.db2.gz RTMNQVIBYQWKEI-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1c(NCCSCc2ccccc2-c2nnn[n-]2)nc2ccccn21 ZINC000823630313 599312700 /nfs/dbraw/zinc/31/27/00/599312700.db2.gz WSLODNUJIBTGBT-UHFFFAOYSA-N -1 3 396.436 2.768 20 5 GFBDHM O=[N+]([O-])c1c(NCCSCc2ccccc2-c2nn[n-]n2)nc2ccccn21 ZINC000823630313 599312703 /nfs/dbraw/zinc/31/27/03/599312703.db2.gz WSLODNUJIBTGBT-UHFFFAOYSA-N -1 3 396.436 2.768 20 5 GFBDHM Cc1noc(C)c1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523007 599545687 /nfs/dbraw/zinc/54/56/87/599545687.db2.gz NWLXXRGNOAJFIO-UHFFFAOYSA-N -1 3 380.368 2.583 20 5 GFBDHM Cc1noc(C)c1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523007 599545689 /nfs/dbraw/zinc/54/56/89/599545689.db2.gz NWLXXRGNOAJFIO-UHFFFAOYSA-N -1 3 380.368 2.583 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820468719 599556572 /nfs/dbraw/zinc/55/65/72/599556572.db2.gz WAHHHWCUOPSOND-IBGZPJMESA-N -1 3 391.391 2.643 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820468719 599556574 /nfs/dbraw/zinc/55/65/74/599556574.db2.gz WAHHHWCUOPSOND-IBGZPJMESA-N -1 3 391.391 2.643 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826212369 607391077 /nfs/dbraw/zinc/39/10/77/607391077.db2.gz OLWMCNYGXPHHOP-UHFFFAOYSA-N -1 3 395.379 2.594 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826212369 607391079 /nfs/dbraw/zinc/39/10/79/607391079.db2.gz OLWMCNYGXPHHOP-UHFFFAOYSA-N -1 3 395.379 2.594 20 5 GFBDHM CCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000829780642 600960690 /nfs/dbraw/zinc/96/06/90/600960690.db2.gz JOMLIWRDUSTJMK-UHFFFAOYSA-N -1 3 398.419 2.687 20 5 GFBDHM O=C(COCc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826416554 607523291 /nfs/dbraw/zinc/52/32/91/607523291.db2.gz FDQAYJRGYZSVGO-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=C(COCc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826416554 607523292 /nfs/dbraw/zinc/52/32/92/607523292.db2.gz FDQAYJRGYZSVGO-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@H]21 ZINC000834186507 605332489 /nfs/dbraw/zinc/33/24/89/605332489.db2.gz WLNQJDFBTYYAQH-ZTFGCOKTSA-N -1 3 385.424 2.784 20 5 GFBDHM Cc1nn(-c2ccccc2)c(COc2ncc(C)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822399784 606020981 /nfs/dbraw/zinc/02/09/81/606020981.db2.gz MZJPFDJWACDLRR-UHFFFAOYSA-N -1 3 392.379 2.551 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821699250 606123201 /nfs/dbraw/zinc/12/32/01/606123201.db2.gz IIKSYGGRSWGGJW-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821699250 606123202 /nfs/dbraw/zinc/12/32/02/606123202.db2.gz IIKSYGGRSWGGJW-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821690547 606159808 /nfs/dbraw/zinc/15/98/08/606159808.db2.gz POGOHZHIAXHMNU-UHFFFAOYSA-N -1 3 386.387 2.563 20 5 GFBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821690547 606159809 /nfs/dbraw/zinc/15/98/09/606159809.db2.gz POGOHZHIAXHMNU-UHFFFAOYSA-N -1 3 386.387 2.563 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823629657 606201174 /nfs/dbraw/zinc/20/11/74/606201174.db2.gz DIZHXLCASGIFJY-WFASDCNBSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000823629657 606201176 /nfs/dbraw/zinc/20/11/76/606201176.db2.gz DIZHXLCASGIFJY-WFASDCNBSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823651476 606201192 /nfs/dbraw/zinc/20/11/92/606201192.db2.gz LJFZEIPSQBUTCP-LLVKDONJSA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823651476 606201193 /nfs/dbraw/zinc/20/11/93/606201193.db2.gz LJFZEIPSQBUTCP-LLVKDONJSA-N -1 3 386.803 2.514 20 5 GFBDHM O=C1[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823512199 606244458 /nfs/dbraw/zinc/24/44/58/606244458.db2.gz MNHZRRHCNYIUGE-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823512199 606244459 /nfs/dbraw/zinc/24/44/59/606244459.db2.gz MNHZRRHCNYIUGE-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](CO)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644056 606477999 /nfs/dbraw/zinc/47/79/99/606477999.db2.gz FAWZNXNJFBCGKB-ZDUSSCGKSA-N -1 3 391.391 2.511 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](CO)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644056 606478001 /nfs/dbraw/zinc/47/80/01/606478001.db2.gz FAWZNXNJFBCGKB-ZDUSSCGKSA-N -1 3 391.391 2.511 20 5 GFBDHM O=[N+]([O-])c1cc(COc2cc(Cl)ccc2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000823634987 606782285 /nfs/dbraw/zinc/78/22/85/606782285.db2.gz PEZUSQLTBJYQBS-UHFFFAOYSA-N -1 3 389.755 2.874 20 5 GFBDHM O=[N+]([O-])c1cc(COc2cc(Cl)ccc2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000823634987 606782287 /nfs/dbraw/zinc/78/22/87/606782287.db2.gz PEZUSQLTBJYQBS-UHFFFAOYSA-N -1 3 389.755 2.874 20 5 GFBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000823061124 606824344 /nfs/dbraw/zinc/82/43/44/606824344.db2.gz WZFVSBOPYRABFZ-UHFFFAOYSA-N -1 3 399.432 2.794 20 5 GFBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000823061124 606824346 /nfs/dbraw/zinc/82/43/46/606824346.db2.gz WZFVSBOPYRABFZ-UHFFFAOYSA-N -1 3 399.432 2.794 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826499796 607876774 /nfs/dbraw/zinc/87/67/74/607876774.db2.gz XVAFFMZMOJXXCN-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826499796 607876775 /nfs/dbraw/zinc/87/67/75/607876775.db2.gz XVAFFMZMOJXXCN-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735628873 608051781 /nfs/dbraw/zinc/05/17/81/608051781.db2.gz ZXGHKTRZPBAQDI-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735628873 608051782 /nfs/dbraw/zinc/05/17/82/608051782.db2.gz ZXGHKTRZPBAQDI-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824770442 608069420 /nfs/dbraw/zinc/06/94/20/608069420.db2.gz KMSOZZCDCCGXMA-SCLBCKFNSA-N -1 3 380.408 2.909 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770442 608069421 /nfs/dbraw/zinc/06/94/21/608069421.db2.gz KMSOZZCDCCGXMA-SCLBCKFNSA-N -1 3 380.408 2.909 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826184528 608116946 /nfs/dbraw/zinc/11/69/46/608116946.db2.gz AJHVGGIYCNICKG-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826184528 608116947 /nfs/dbraw/zinc/11/69/47/608116947.db2.gz AJHVGGIYCNICKG-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccncc1 ZINC000824385475 608159118 /nfs/dbraw/zinc/15/91/18/608159118.db2.gz UXSQQUOIPSJBHF-VIFPVBQESA-N -1 3 387.787 2.956 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccncc1 ZINC000824385475 608159119 /nfs/dbraw/zinc/15/91/19/608159119.db2.gz UXSQQUOIPSJBHF-VIFPVBQESA-N -1 3 387.787 2.956 20 5 GFBDHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909490 608161440 /nfs/dbraw/zinc/16/14/40/608161440.db2.gz UHDQTQNRQCNBSD-SCZZXKLOSA-N -1 3 380.792 2.715 20 5 GFBDHM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909490 608161442 /nfs/dbraw/zinc/16/14/42/608161442.db2.gz UHDQTQNRQCNBSD-SCZZXKLOSA-N -1 3 380.792 2.715 20 5 GFBDHM Cc1ccccc1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826307460 608163440 /nfs/dbraw/zinc/16/34/40/608163440.db2.gz JLFGIZKQRSZMIT-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccccc1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826307460 608163442 /nfs/dbraw/zinc/16/34/42/608163442.db2.gz JLFGIZKQRSZMIT-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826189844 608239271 /nfs/dbraw/zinc/23/92/71/608239271.db2.gz GXNGXCWDRCCNSA-PIGZYNQJSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@H](OC)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826189844 608239273 /nfs/dbraw/zinc/23/92/73/608239273.db2.gz GXNGXCWDRCCNSA-PIGZYNQJSA-N -1 3 384.396 2.972 20 5 GFBDHM C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824651402 608273612 /nfs/dbraw/zinc/27/36/12/608273612.db2.gz ZIZIHZOSIHADAF-QMMMGPOBSA-N -1 3 390.201 2.527 20 5 GFBDHM C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824651402 608273614 /nfs/dbraw/zinc/27/36/14/608273614.db2.gz ZIZIHZOSIHADAF-QMMMGPOBSA-N -1 3 390.201 2.527 20 5 GFBDHM COC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000826151910 608297724 /nfs/dbraw/zinc/29/77/24/608297724.db2.gz MFOOEUDEWHFVIB-AWEZNQCLSA-N -1 3 376.323 2.853 20 5 GFBDHM COC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000826151910 608297726 /nfs/dbraw/zinc/29/77/26/608297726.db2.gz MFOOEUDEWHFVIB-AWEZNQCLSA-N -1 3 376.323 2.853 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824489654 608423108 /nfs/dbraw/zinc/42/31/08/608423108.db2.gz MOSRAAQJTXMFBC-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824489654 608423109 /nfs/dbraw/zinc/42/31/09/608423109.db2.gz MOSRAAQJTXMFBC-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826466475 608443878 /nfs/dbraw/zinc/44/38/78/608443878.db2.gz FCLNEYFSJPILTR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826466475 608443879 /nfs/dbraw/zinc/44/38/79/608443879.db2.gz FCLNEYFSJPILTR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826263642 608757357 /nfs/dbraw/zinc/75/73/57/608757357.db2.gz LBVYVJDZPZYLCF-UHFFFAOYSA-N -1 3 380.408 2.972 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826263642 608757358 /nfs/dbraw/zinc/75/73/58/608757358.db2.gz LBVYVJDZPZYLCF-UHFFFAOYSA-N -1 3 380.408 2.972 20 5 GFBDHM O=[N+]([O-])c1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cs1 ZINC000826497375 609278208 /nfs/dbraw/zinc/27/82/08/609278208.db2.gz FJEFDPMTFUDXJC-UHFFFAOYSA-N -1 3 386.372 2.773 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825830495 609395368 /nfs/dbraw/zinc/39/53/68/609395368.db2.gz SBVVBNRWTLIIFL-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825830495 609395369 /nfs/dbraw/zinc/39/53/69/609395369.db2.gz SBVVBNRWTLIIFL-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943078 609498495 /nfs/dbraw/zinc/49/84/95/609498495.db2.gz MLQXZLACJTUJLR-PKNBQFBNSA-N -1 3 382.355 2.980 20 5 GFBDHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943078 609498498 /nfs/dbraw/zinc/49/84/98/609498498.db2.gz MLQXZLACJTUJLR-PKNBQFBNSA-N -1 3 382.355 2.980 20 5 GFBDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826204461 609539021 /nfs/dbraw/zinc/53/90/21/609539021.db2.gz MBRLRNHXISXJHA-UHFFFAOYSA-N -1 3 375.776 2.752 20 5 GFBDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826204461 609539022 /nfs/dbraw/zinc/53/90/22/609539022.db2.gz MBRLRNHXISXJHA-UHFFFAOYSA-N -1 3 375.776 2.752 20 5 GFBDHM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000826271295 609563819 /nfs/dbraw/zinc/56/38/19/609563819.db2.gz LTWFMIWNRDRPHS-LBPRGKRZSA-N -1 3 395.427 2.996 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826212349 609618468 /nfs/dbraw/zinc/61/84/68/609618468.db2.gz NRBLLUBRAGQRTM-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826212349 609618470 /nfs/dbraw/zinc/61/84/70/609618470.db2.gz NRBLLUBRAGQRTM-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000272215022 655106147 /nfs/dbraw/zinc/10/61/47/655106147.db2.gz MKMCCZCAYRRSFE-VIFPVBQESA-N -1 3 389.430 2.685 20 5 GFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173523198 655174050 /nfs/dbraw/zinc/17/40/50/655174050.db2.gz KNDICENHCBNMDY-SECBINFHSA-N -1 3 395.275 2.839 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000814988706 660100349 /nfs/dbraw/zinc/10/03/49/660100349.db2.gz SPXVPPDUXHGTID-MNOVXSKESA-N -1 3 393.868 2.786 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000849448277 661726928 /nfs/dbraw/zinc/72/69/28/661726928.db2.gz WGLXSXCXHKIGKJ-SECBINFHSA-N -1 3 380.344 2.604 20 5 GFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000849461029 661729972 /nfs/dbraw/zinc/72/99/72/661729972.db2.gz SJPODHIGRDFDLV-ONGXEEELSA-N -1 3 393.259 2.593 20 5 GFBDHM CCn1nccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000851897174 661844870 /nfs/dbraw/zinc/84/48/70/661844870.db2.gz NCVVNBWXEABFAN-UHFFFAOYSA-N -1 3 379.225 2.597 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000024485870 551118928 /nfs/dbraw/zinc/11/89/28/551118928.db2.gz OSXISEGLCTULAP-GFCCVEGCSA-N -1 3 384.435 2.547 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2 ZINC000066333812 551186428 /nfs/dbraw/zinc/18/64/28/551186428.db2.gz TXBLITAYZWWINY-LLVKDONJSA-N -1 3 384.435 2.857 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000123281708 551304366 /nfs/dbraw/zinc/30/43/66/551304366.db2.gz OBSNEVHCWNZRRW-UHFFFAOYSA-N -1 3 389.842 2.535 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)Cc1ccccc1 ZINC000129291458 551355389 /nfs/dbraw/zinc/35/53/89/551355389.db2.gz YPUPVWYFDKADRH-IAQYHMDHSA-N -1 3 384.841 2.519 20 5 GFBDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163392887 551619682 /nfs/dbraw/zinc/61/96/82/551619682.db2.gz DDQNIGQDKUOYPG-NWDGAFQWSA-N -1 3 382.360 2.850 20 5 GFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000178953673 552180261 /nfs/dbraw/zinc/18/02/61/552180261.db2.gz ZGONPVOAFYSGAL-OAHLLOKOSA-N -1 3 381.479 2.973 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c[nH]cc(Br)c1=O ZINC000183106019 552300407 /nfs/dbraw/zinc/30/04/07/552300407.db2.gz KTVOZUQLFHSCDZ-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000189799496 552480143 /nfs/dbraw/zinc/48/01/43/552480143.db2.gz UVRKLWTYJLHBAR-ZDUSSCGKSA-N -1 3 383.495 2.854 20 5 GFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000192928573 552978309 /nfs/dbraw/zinc/97/83/09/552978309.db2.gz JTTNGQZHKNTYOB-LLVKDONJSA-N -1 3 376.843 2.976 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000286065624 563547781 /nfs/dbraw/zinc/54/77/81/563547781.db2.gz ISYOVUULFZWCRZ-UHFFFAOYSA-N -1 3 385.442 2.743 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000437304943 563693282 /nfs/dbraw/zinc/69/32/82/563693282.db2.gz NEPJKKSVVZJHDB-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000416596767 563851309 /nfs/dbraw/zinc/85/13/09/563851309.db2.gz NJFFLOZEXNLXSZ-QMMMGPOBSA-N -1 3 388.339 2.999 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000565686813 564291301 /nfs/dbraw/zinc/29/13/01/564291301.db2.gz AKKIQBSIRVXXOH-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580392 564346620 /nfs/dbraw/zinc/34/66/20/564346620.db2.gz UFGKSSBRNPZYOD-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511283049 564365578 /nfs/dbraw/zinc/36/55/78/564365578.db2.gz DSTNPQQJVAZPEJ-UHFFFAOYSA-N -1 3 375.182 2.608 20 5 GFBDHM Cc1c(Br)c(NCc2nnc(C(F)(F)F)[n-]2)ncc1[N+](=O)[O-] ZINC000480321954 564468320 /nfs/dbraw/zinc/46/83/20/564468320.db2.gz ADUHEIBRMPGKAP-UHFFFAOYSA-N -1 3 381.112 2.810 20 5 GFBDHM Cc1c(Br)c(NCc2n[n-]c(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000480321954 564468322 /nfs/dbraw/zinc/46/83/22/564468322.db2.gz ADUHEIBRMPGKAP-UHFFFAOYSA-N -1 3 381.112 2.810 20 5 GFBDHM Cc1c(Br)c(NCc2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC000480321954 564468323 /nfs/dbraw/zinc/46/83/23/564468323.db2.gz ADUHEIBRMPGKAP-UHFFFAOYSA-N -1 3 381.112 2.810 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000519692065 564586759 /nfs/dbraw/zinc/58/67/59/564586759.db2.gz ISYPQEWYTAHESQ-OAHLLOKOSA-N -1 3 386.426 2.562 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000491590364 564793558 /nfs/dbraw/zinc/79/35/58/564793558.db2.gz ZJQUDGKRIRUYLG-NXEZZACHSA-N -1 3 378.447 2.695 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000497848001 564878804 /nfs/dbraw/zinc/87/88/04/564878804.db2.gz SWFPJZRNYUZUBF-UHFFFAOYSA-N -1 3 392.209 2.585 20 5 GFBDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000558777504 564914316 /nfs/dbraw/zinc/91/43/16/564914316.db2.gz GTPYZWFVKZDUJQ-JTQLQIEISA-N -1 3 381.273 2.530 20 5 GFBDHM NC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2[O-])c([N+](=O)[O-])c1 ZINC000533540784 564964757 /nfs/dbraw/zinc/96/47/57/564964757.db2.gz MUZWWWQHOVGRAH-UHFFFAOYSA-N -1 3 381.797 2.784 20 5 GFBDHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000613960593 565087899 /nfs/dbraw/zinc/08/78/99/565087899.db2.gz UZYRLVHVUQPGPI-GFCCVEGCSA-N -1 3 384.435 2.857 20 5 GFBDHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000613960594 565088200 /nfs/dbraw/zinc/08/82/00/565088200.db2.gz UZYRLVHVUQPGPI-LBPRGKRZSA-N -1 3 384.435 2.857 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000592098533 565255882 /nfs/dbraw/zinc/25/58/82/565255882.db2.gz BNVVOEGVDQKAFT-NSHDSACASA-N -1 3 378.834 2.647 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000595416712 565475533 /nfs/dbraw/zinc/47/55/33/565475533.db2.gz COJZGIFIMWMWIL-UHFFFAOYSA-N -1 3 388.339 2.999 20 5 GFBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000596209535 565515738 /nfs/dbraw/zinc/51/57/38/565515738.db2.gz HCLXQGPENOKAPK-NSHDSACASA-N -1 3 382.214 2.721 20 5 GFBDHM Cc1c([N-]C(=O)c2nnn(C(C)(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000597610546 565567139 /nfs/dbraw/zinc/56/71/39/565567139.db2.gz QSJPTDYCQMGBBK-UHFFFAOYSA-N -1 3 383.206 2.660 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000603640467 565912655 /nfs/dbraw/zinc/91/26/55/565912655.db2.gz DOKHJHRYFZCXOH-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610957420 566107706 /nfs/dbraw/zinc/10/77/06/566107706.db2.gz XFOJTRGOEKURED-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611021846 566111655 /nfs/dbraw/zinc/11/16/55/566111655.db2.gz KDFRJWCDVHUQSQ-ABAIWWIYSA-N -1 3 384.841 2.691 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc([N+](=O)[O-])c1C ZINC000737215470 598824875 /nfs/dbraw/zinc/82/48/75/598824875.db2.gz ILDIEMAHAABHBF-UHFFFAOYSA-N -1 3 376.380 2.699 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc([N+](=O)[O-])c1C ZINC000737215470 598824877 /nfs/dbraw/zinc/82/48/77/598824877.db2.gz ILDIEMAHAABHBF-UHFFFAOYSA-N -1 3 376.380 2.699 20 5 GFBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038139 598889266 /nfs/dbraw/zinc/88/92/66/598889266.db2.gz SFMZSSXTHPTHOW-UTSBKAFOSA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038139 598889268 /nfs/dbraw/zinc/88/92/68/598889268.db2.gz SFMZSSXTHPTHOW-UTSBKAFOSA-N -1 3 395.375 2.799 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nnn[n-]2)c1 ZINC000823652251 599066500 /nfs/dbraw/zinc/06/65/00/599066500.db2.gz XLPHMILBTRZWPJ-UHFFFAOYSA-N -1 3 384.787 2.959 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nn[n-]n2)c1 ZINC000823652251 599066503 /nfs/dbraw/zinc/06/65/03/599066503.db2.gz XLPHMILBTRZWPJ-UHFFFAOYSA-N -1 3 384.787 2.959 20 5 GFBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000737283293 599083076 /nfs/dbraw/zinc/08/30/76/599083076.db2.gz PEHFYZXRMCBUHW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000737283293 599083078 /nfs/dbraw/zinc/08/30/78/599083078.db2.gz PEHFYZXRMCBUHW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823646922 599088504 /nfs/dbraw/zinc/08/85/04/599088504.db2.gz DAHZCYAYADCAER-GFCCVEGCSA-N -1 3 383.437 2.789 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823646922 599088506 /nfs/dbraw/zinc/08/85/06/599088506.db2.gz DAHZCYAYADCAER-GFCCVEGCSA-N -1 3 383.437 2.789 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639999 599109845 /nfs/dbraw/zinc/10/98/45/599109845.db2.gz ONWBITROVHCDSK-KDOFPFPSSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639999 599109848 /nfs/dbraw/zinc/10/98/48/599109848.db2.gz ONWBITROVHCDSK-KDOFPFPSSA-N -1 3 380.408 2.867 20 5 GFBDHM CCc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736690967 599156906 /nfs/dbraw/zinc/15/69/06/599156906.db2.gz MEZGHRKFITUYAK-NSHDSACASA-N -1 3 383.364 2.710 20 5 GFBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735906780 599184687 /nfs/dbraw/zinc/18/46/87/599184687.db2.gz WQIQMLJUYMESGQ-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735906780 599184688 /nfs/dbraw/zinc/18/46/88/599184688.db2.gz WQIQMLJUYMESGQ-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735873457 599182367 /nfs/dbraw/zinc/18/23/67/599182367.db2.gz ACBCIFWCZWWEAG-UHFFFAOYSA-N -1 3 380.408 2.755 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735873457 599182369 /nfs/dbraw/zinc/18/23/69/599182369.db2.gz ACBCIFWCZWWEAG-UHFFFAOYSA-N -1 3 380.408 2.755 20 5 GFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505320 599182949 /nfs/dbraw/zinc/18/29/49/599182949.db2.gz LQCBTUAIKIVEIH-ZDUSSCGKSA-N -1 3 380.408 2.927 20 5 GFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505320 599182951 /nfs/dbraw/zinc/18/29/51/599182951.db2.gz LQCBTUAIKIVEIH-ZDUSSCGKSA-N -1 3 380.408 2.927 20 5 GFBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737924786 599186763 /nfs/dbraw/zinc/18/67/63/599186763.db2.gz LEIPRAFLSDEMBB-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737924786 599186766 /nfs/dbraw/zinc/18/67/66/599186766.db2.gz LEIPRAFLSDEMBB-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959841 599207790 /nfs/dbraw/zinc/20/77/90/599207790.db2.gz CDNBRMLCEROFTL-SFHVURJKSA-N -1 3 396.432 2.592 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959841 599207791 /nfs/dbraw/zinc/20/77/91/599207791.db2.gz CDNBRMLCEROFTL-SFHVURJKSA-N -1 3 396.432 2.592 20 5 GFBDHM O=[N+]([O-])c1cc(NCCc2nc(C(F)(F)F)cs2)ccc1-c1nnn[n-]1 ZINC000823634156 607348580 /nfs/dbraw/zinc/34/85/80/607348580.db2.gz BGCUFRZANMILRW-UHFFFAOYSA-N -1 3 385.331 2.905 20 5 GFBDHM COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737137737 598354101 /nfs/dbraw/zinc/35/41/01/598354101.db2.gz DILDEPSBIOQNPL-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737137737 598354102 /nfs/dbraw/zinc/35/41/02/598354102.db2.gz DILDEPSBIOQNPL-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM CC(C)COc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735844851 598388021 /nfs/dbraw/zinc/38/80/21/598388021.db2.gz OOYICPWTQABRQY-UHFFFAOYSA-N -1 3 383.412 2.859 20 5 GFBDHM CC(C)COc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735844851 598388022 /nfs/dbraw/zinc/38/80/22/598388022.db2.gz OOYICPWTQABRQY-UHFFFAOYSA-N -1 3 383.412 2.859 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370795 598390358 /nfs/dbraw/zinc/39/03/58/598390358.db2.gz QLLFKOYGDBLTBA-LLVKDONJSA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370795 598390360 /nfs/dbraw/zinc/39/03/60/598390360.db2.gz QLLFKOYGDBLTBA-LLVKDONJSA-N -1 3 387.350 2.744 20 5 GFBDHM C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736152366 598487607 /nfs/dbraw/zinc/48/76/07/598487607.db2.gz TZKYUXIMEYUEHG-LBPRGKRZSA-N -1 3 382.380 2.881 20 5 GFBDHM C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736152366 598487609 /nfs/dbraw/zinc/48/76/09/598487609.db2.gz TZKYUXIMEYUEHG-LBPRGKRZSA-N -1 3 382.380 2.881 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(=Cc3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370599 598499861 /nfs/dbraw/zinc/49/98/61/598499861.db2.gz WKRBWIIQUHRFFH-UHFFFAOYSA-N -1 3 381.371 2.993 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(=Cc3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370599 598499863 /nfs/dbraw/zinc/49/98/63/598499863.db2.gz WKRBWIIQUHRFFH-UHFFFAOYSA-N -1 3 381.371 2.993 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371975 598504391 /nfs/dbraw/zinc/50/43/91/598504391.db2.gz ZTAWIHNMIFCUIW-GOSISDBHSA-N -1 3 398.398 2.864 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371975 598504392 /nfs/dbraw/zinc/50/43/92/598504392.db2.gz ZTAWIHNMIFCUIW-GOSISDBHSA-N -1 3 398.398 2.864 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735873616 598783048 /nfs/dbraw/zinc/78/30/48/598783048.db2.gz ITFDWEUOTNYTEC-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735873616 598783049 /nfs/dbraw/zinc/78/30/49/598783049.db2.gz ITFDWEUOTNYTEC-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM CC(C)c1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000820198493 599339934 /nfs/dbraw/zinc/33/99/34/599339934.db2.gz YDTZSHUAMDVKLQ-UHFFFAOYSA-N -1 3 389.393 2.666 20 5 GFBDHM CC(C)c1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000820198493 599339937 /nfs/dbraw/zinc/33/99/37/599339937.db2.gz YDTZSHUAMDVKLQ-UHFFFAOYSA-N -1 3 389.393 2.666 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737262876 599342266 /nfs/dbraw/zinc/34/22/66/599342266.db2.gz HDZHCLQHWWDWAJ-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM O=[N+]([O-])c1ccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000823635341 599491382 /nfs/dbraw/zinc/49/13/82/599491382.db2.gz WCVMKPLZSMIPPJ-UHFFFAOYSA-N -1 3 397.345 2.678 20 5 GFBDHM O=[N+]([O-])c1ccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000823635341 599491386 /nfs/dbraw/zinc/49/13/86/599491386.db2.gz WCVMKPLZSMIPPJ-UHFFFAOYSA-N -1 3 397.345 2.678 20 5 GFBDHM CCNc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821309786 599557646 /nfs/dbraw/zinc/55/76/46/599557646.db2.gz UCDUKXUGEKCWIT-NSHDSACASA-N -1 3 381.396 2.698 20 5 GFBDHM CCNc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821309786 599557648 /nfs/dbraw/zinc/55/76/48/599557648.db2.gz UCDUKXUGEKCWIT-NSHDSACASA-N -1 3 381.396 2.698 20 5 GFBDHM CC(C)CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072674 599570284 /nfs/dbraw/zinc/57/02/84/599570284.db2.gz KCARQPRPFGNHIG-SFHVURJKSA-N -1 3 385.428 2.922 20 5 GFBDHM CC(C)CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072674 599570286 /nfs/dbraw/zinc/57/02/86/599570286.db2.gz KCARQPRPFGNHIG-SFHVURJKSA-N -1 3 385.428 2.922 20 5 GFBDHM COCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826164114 607522701 /nfs/dbraw/zinc/52/27/01/607522701.db2.gz BAKKTHGOZYBHFZ-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM COCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826164114 607522702 /nfs/dbraw/zinc/52/27/02/607522702.db2.gz BAKKTHGOZYBHFZ-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM COc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826191183 607525144 /nfs/dbraw/zinc/52/51/44/607525144.db2.gz ZLSJCEDODXTUSD-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826191183 607525146 /nfs/dbraw/zinc/52/51/46/607525146.db2.gz ZLSJCEDODXTUSD-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM C[C@H](Oc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(=O)[O-] ZINC000833540867 604657503 /nfs/dbraw/zinc/65/75/03/604657503.db2.gz LNSQGDIRHGBFHI-DZGCQCFKSA-N -1 3 386.408 2.528 20 5 GFBDHM CC[C@](C)(CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1OCCO1 ZINC000820854052 606056081 /nfs/dbraw/zinc/05/60/81/606056081.db2.gz RBRKSLQODQHOID-QGZVFWFLSA-N -1 3 376.417 2.756 20 5 GFBDHM CC[C@](C)(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1OCCO1 ZINC000820854052 606056086 /nfs/dbraw/zinc/05/60/86/606056086.db2.gz RBRKSLQODQHOID-QGZVFWFLSA-N -1 3 376.417 2.756 20 5 GFBDHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640949 606416499 /nfs/dbraw/zinc/41/64/99/606416499.db2.gz SKGZUBJQGXWKBD-SJCJKPOMSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640949 606416501 /nfs/dbraw/zinc/41/65/01/606416501.db2.gz SKGZUBJQGXWKBD-SJCJKPOMSA-N -1 3 396.407 2.648 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229639 606440884 /nfs/dbraw/zinc/44/08/84/606440884.db2.gz YITYPEMAXBYGQJ-LBPRGKRZSA-N -1 3 381.396 2.644 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229639 606440885 /nfs/dbraw/zinc/44/08/85/606440885.db2.gz YITYPEMAXBYGQJ-LBPRGKRZSA-N -1 3 381.396 2.644 20 5 GFBDHM CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915683 606588811 /nfs/dbraw/zinc/58/88/11/606588811.db2.gz WLMIRCQFEWICRY-SJCJKPOMSA-N -1 3 396.407 2.810 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607582 606850708 /nfs/dbraw/zinc/85/07/08/606850708.db2.gz VCJCGIQPVZPBNB-INIZCTEOSA-N -1 3 388.815 2.594 20 5 GFBDHM Cc1sc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822552940 606945396 /nfs/dbraw/zinc/94/53/96/606945396.db2.gz FZFJJUSQQLDMAA-UHFFFAOYSA-N -1 3 389.393 2.771 20 5 GFBDHM Cc1sc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822552940 606945397 /nfs/dbraw/zinc/94/53/97/606945397.db2.gz FZFJJUSQQLDMAA-UHFFFAOYSA-N -1 3 389.393 2.771 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821845603 606959345 /nfs/dbraw/zinc/95/93/45/606959345.db2.gz IFDYMYIFGBEKOL-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821845603 606959346 /nfs/dbraw/zinc/95/93/46/606959346.db2.gz IFDYMYIFGBEKOL-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823426422 606989719 /nfs/dbraw/zinc/98/97/19/606989719.db2.gz HWJOVBHDHLQMNI-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823426422 606989720 /nfs/dbraw/zinc/98/97/20/606989720.db2.gz HWJOVBHDHLQMNI-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM CCS[C@H](C)c1noc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000821449315 607042882 /nfs/dbraw/zinc/04/28/82/607042882.db2.gz SAJBIIYBNKZEOE-SECBINFHSA-N -1 3 390.429 2.608 20 5 GFBDHM CCS[C@H](C)c1noc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000821449315 607042883 /nfs/dbraw/zinc/04/28/83/607042883.db2.gz SAJBIIYBNKZEOE-SECBINFHSA-N -1 3 390.429 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2nc(-c3ccncc3)cs2)c(-c2nnn[n-]2)c1 ZINC000823639754 607110627 /nfs/dbraw/zinc/11/06/27/607110627.db2.gz HCELLNAFBKOCSD-UHFFFAOYSA-N -1 3 394.420 2.948 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2nc(-c3ccncc3)cs2)c(-c2nn[n-]n2)c1 ZINC000823639754 607110628 /nfs/dbraw/zinc/11/06/28/607110628.db2.gz HCELLNAFBKOCSD-UHFFFAOYSA-N -1 3 394.420 2.948 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000823634763 607171848 /nfs/dbraw/zinc/17/18/48/607171848.db2.gz LRRATMCSNZTKNU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000823634763 607171849 /nfs/dbraw/zinc/17/18/49/607171849.db2.gz LRRATMCSNZTKNU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826497621 607905541 /nfs/dbraw/zinc/90/55/41/607905541.db2.gz NQHKVNAXQWFTNX-AWEZNQCLSA-N -1 3 390.407 2.794 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826497621 607905542 /nfs/dbraw/zinc/90/55/42/607905542.db2.gz NQHKVNAXQWFTNX-AWEZNQCLSA-N -1 3 390.407 2.794 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)C2 ZINC000826500381 607931495 /nfs/dbraw/zinc/93/14/95/607931495.db2.gz WOYBRMDATNIEAL-UHFFFAOYSA-N -1 3 381.421 2.530 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)C2 ZINC000826500381 607931496 /nfs/dbraw/zinc/93/14/96/607931496.db2.gz WOYBRMDATNIEAL-UHFFFAOYSA-N -1 3 381.421 2.530 20 5 GFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825830847 608156378 /nfs/dbraw/zinc/15/63/78/608156378.db2.gz ZZKOZHSACZIZCW-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825830847 608156379 /nfs/dbraw/zinc/15/63/79/608156379.db2.gz ZZKOZHSACZIZCW-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824385168 608160998 /nfs/dbraw/zinc/16/09/98/608160998.db2.gz NKFLIAIMEKYQGL-SECBINFHSA-N -1 3 387.787 2.956 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824385168 608161000 /nfs/dbraw/zinc/16/10/00/608161000.db2.gz NKFLIAIMEKYQGL-SECBINFHSA-N -1 3 387.787 2.956 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccncc1Cl ZINC000826450969 608163996 /nfs/dbraw/zinc/16/39/96/608163996.db2.gz KQGVOELQELQGNV-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccncc1Cl ZINC000826450969 608163998 /nfs/dbraw/zinc/16/39/98/608163998.db2.gz KQGVOELQELQGNV-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCOCC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000826499435 608370717 /nfs/dbraw/zinc/37/07/17/608370717.db2.gz IPHLVKDBXLCTPV-UHFFFAOYSA-N -1 3 397.317 2.704 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCOCC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499435 608370718 /nfs/dbraw/zinc/37/07/18/608370718.db2.gz IPHLVKDBXLCTPV-UHFFFAOYSA-N -1 3 397.317 2.704 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826263773 608821338 /nfs/dbraw/zinc/82/13/38/608821338.db2.gz QCBXTLAORAUVDW-UHFFFAOYSA-N -1 3 378.392 2.903 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826263773 608821339 /nfs/dbraw/zinc/82/13/39/608821339.db2.gz QCBXTLAORAUVDW-UHFFFAOYSA-N -1 3 378.392 2.903 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(N2CCCC2)n1 ZINC000826288755 609313502 /nfs/dbraw/zinc/31/35/02/609313502.db2.gz VIQAIVSMTNAIGM-UHFFFAOYSA-N -1 3 380.412 2.691 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H](F)Cc1ccccc1 ZINC000826450308 609331168 /nfs/dbraw/zinc/33/11/68/609331168.db2.gz GHUHTLVFUNEHTN-LLVKDONJSA-N -1 3 390.762 2.948 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H](F)Cc1ccccc1 ZINC000826450308 609331171 /nfs/dbraw/zinc/33/11/71/609331171.db2.gz GHUHTLVFUNEHTN-LLVKDONJSA-N -1 3 390.762 2.948 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826293184 609460991 /nfs/dbraw/zinc/46/09/91/609460991.db2.gz DZBQVYZREPDJMU-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826293184 609460993 /nfs/dbraw/zinc/46/09/93/609460993.db2.gz DZBQVYZREPDJMU-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943077 609498390 /nfs/dbraw/zinc/49/83/90/609498390.db2.gz MLQXZLACJTUJLR-LUAWRHEFSA-N -1 3 382.355 2.980 20 5 GFBDHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943077 609498391 /nfs/dbraw/zinc/49/83/91/609498391.db2.gz MLQXZLACJTUJLR-LUAWRHEFSA-N -1 3 382.355 2.980 20 5 GFBDHM COc1ccc(CNC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826196489 609510317 /nfs/dbraw/zinc/51/03/17/609510317.db2.gz DQRFJZXWCXVNGA-XFXZXTDPSA-N -1 3 394.391 2.503 20 5 GFBDHM COc1ccc(CNC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826196489 609510319 /nfs/dbraw/zinc/51/03/19/609510319.db2.gz DQRFJZXWCXVNGA-XFXZXTDPSA-N -1 3 394.391 2.503 20 5 GFBDHM Cc1c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC000826242830 609541205 /nfs/dbraw/zinc/54/12/05/609541205.db2.gz HZPBIZYDMOZEKQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC000826242830 609541207 /nfs/dbraw/zinc/54/12/07/609541207.db2.gz HZPBIZYDMOZEKQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(C)(C)OC(=O)NC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000824108877 609593724 /nfs/dbraw/zinc/59/37/24/609593724.db2.gz LTPOXRDVKHPXCR-UHFFFAOYSA-N -1 3 389.416 2.634 20 5 GFBDHM CC(C)(C)OC(=O)NC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000824108877 609593725 /nfs/dbraw/zinc/59/37/25/609593725.db2.gz LTPOXRDVKHPXCR-UHFFFAOYSA-N -1 3 389.416 2.634 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c(F)c1 ZINC000055974719 654786224 /nfs/dbraw/zinc/78/62/24/654786224.db2.gz QZBULMGGWLPIBF-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000125528278 654796981 /nfs/dbraw/zinc/79/69/81/654796981.db2.gz MSMVQAPRKBMJPH-VQHVLOKHSA-N -1 3 399.226 2.670 20 5 GFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000473844850 655414758 /nfs/dbraw/zinc/41/47/58/655414758.db2.gz CTJKXOSWTLSRTO-LBPRGKRZSA-N -1 3 381.186 2.606 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000725822602 655527051 /nfs/dbraw/zinc/52/70/51/655527051.db2.gz HUIHPOXTXLIVTJ-NEPJUHHUSA-N -1 3 375.878 2.789 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c(Cl)c1 ZINC000751439027 655827460 /nfs/dbraw/zinc/82/74/60/655827460.db2.gz XUPWNOLNENULLV-NSHDSACASA-N -1 3 376.843 2.712 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1Br ZINC000759169093 655949878 /nfs/dbraw/zinc/94/98/78/655949878.db2.gz KZJBMUDEZNELMP-VQHVLOKHSA-N -1 3 399.226 2.670 20 5 GFBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000799831606 659234216 /nfs/dbraw/zinc/23/42/16/659234216.db2.gz LZRGIEZOLFLNGG-RYUDHWBXSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCC2(F)CCC2)c1 ZINC000805122569 659745075 /nfs/dbraw/zinc/74/50/75/659745075.db2.gz ASZSBTBKGLLKQM-UHFFFAOYSA-N -1 3 381.223 2.918 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000809395116 659926569 /nfs/dbraw/zinc/92/65/69/659926569.db2.gz HXRQFQJKDGUNQU-RKDXNWHRSA-N -1 3 394.280 2.805 20 5 GFBDHM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000809818984 659942346 /nfs/dbraw/zinc/94/23/46/659942346.db2.gz SXONRZKIWIHKBD-UHFFFAOYSA-N -1 3 379.225 2.666 20 5 GFBDHM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]n1 ZINC000809818984 659942349 /nfs/dbraw/zinc/94/23/49/659942349.db2.gz SXONRZKIWIHKBD-UHFFFAOYSA-N -1 3 379.225 2.666 20 5 GFBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013713 660101428 /nfs/dbraw/zinc/10/14/28/660101428.db2.gz XVBLVQLMEZGRNY-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@](C)(O)c1ccccc1 ZINC000845982397 661517723 /nfs/dbraw/zinc/51/77/23/661517723.db2.gz UUGXPFPWTCSIDW-BDJLRTHQSA-N -1 3 384.841 2.823 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000921711759 664563127 /nfs/dbraw/zinc/56/31/27/664563127.db2.gz JLRWQXYLACEAMH-IUCAKERBSA-N -1 3 395.300 2.920 20 5 GFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccccn2n1 ZINC000522019394 532521624 /nfs/dbraw/zinc/52/16/24/532521624.db2.gz GPOQFJZHKHTLBY-UHFFFAOYSA-N -1 3 376.170 2.961 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000045809565 551148246 /nfs/dbraw/zinc/14/82/46/551148246.db2.gz GWISUUAITFWPQF-CYBMUJFWSA-N -1 3 389.886 2.891 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000125516994 551321883 /nfs/dbraw/zinc/32/18/83/551321883.db2.gz CLYXRAWUCCUCHU-SMDDNHRTSA-N -1 3 384.479 2.798 20 5 GFBDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163213552 551617889 /nfs/dbraw/zinc/61/78/89/551617889.db2.gz GPPKRPRJNUXFOT-KOLCDFICSA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000163406934 551619813 /nfs/dbraw/zinc/61/98/13/551619813.db2.gz IUTJQIZQVBGVBH-GFCCVEGCSA-N -1 3 384.376 2.953 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000173539525 552087661 /nfs/dbraw/zinc/08/76/61/552087661.db2.gz PEKNHGVAQCUOGX-KBPBESRZSA-N -1 3 384.845 2.907 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cncc(Br)c1 ZINC000182733699 552291940 /nfs/dbraw/zinc/29/19/40/552291940.db2.gz XVSALPASODRXAW-UHFFFAOYSA-N -1 3 386.227 2.737 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000187160970 552408522 /nfs/dbraw/zinc/40/85/22/552408522.db2.gz HPQXWUCOLGNGRZ-AWEZNQCLSA-N -1 3 389.430 2.803 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1 ZINC000261420069 553153473 /nfs/dbraw/zinc/15/34/73/553153473.db2.gz ZQQKZUJRDIELKM-LLVKDONJSA-N -1 3 397.250 2.976 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCc2nc(C)sc21 ZINC000378610086 563512221 /nfs/dbraw/zinc/51/22/21/563512221.db2.gz VPDPEQPSNCVOCM-GFCCVEGCSA-N -1 3 383.451 2.724 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(SC)cc1 ZINC000435606030 563655062 /nfs/dbraw/zinc/65/50/62/563655062.db2.gz JQGNLRFJYHIHPU-UHFFFAOYSA-N -1 3 382.463 2.846 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cnn(C)c1 ZINC000290689522 563718465 /nfs/dbraw/zinc/71/84/65/563718465.db2.gz HPZRCARGLKEORG-SSDOTTSWSA-N -1 3 379.225 2.675 20 5 GFBDHM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1Br ZINC000414470527 563742750 /nfs/dbraw/zinc/74/27/50/563742750.db2.gz MMGJHAQBKJFUHS-UHFFFAOYSA-N -1 3 389.231 2.806 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCN(Cc2cccs2)CC1 ZINC000365103502 563774054 /nfs/dbraw/zinc/77/40/54/563774054.db2.gz BOCBNPZJCWJOQK-UHFFFAOYSA-N -1 3 381.479 2.599 20 5 GFBDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000443986621 563817670 /nfs/dbraw/zinc/81/76/70/563817670.db2.gz ZXGABDXDLKSRNF-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416401203 563823132 /nfs/dbraw/zinc/82/31/32/563823132.db2.gz IKGPNEMKBTWMBW-GFCCVEGCSA-N -1 3 384.376 2.689 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000416438482 563828748 /nfs/dbraw/zinc/82/87/48/563828748.db2.gz JZTLBQVWUVSNKJ-ZYHUDNBSSA-N -1 3 382.360 2.850 20 5 GFBDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416449072 563830081 /nfs/dbraw/zinc/83/00/81/563830081.db2.gz VHYDTJFQMSFXJB-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498637 563839332 /nfs/dbraw/zinc/83/93/32/563839332.db2.gz XYSMMIQEXJCSBS-ISVAXAHUSA-N -1 3 382.360 2.705 20 5 GFBDHM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000416550399 563846835 /nfs/dbraw/zinc/84/68/35/563846835.db2.gz QTVDGJNQDXIDNI-NSHDSACASA-N -1 3 382.825 2.703 20 5 GFBDHM CCCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446945223 563871119 /nfs/dbraw/zinc/87/11/19/563871119.db2.gz DABOZSSEJPTXLF-UHFFFAOYSA-N -1 3 395.275 2.842 20 5 GFBDHM CCC(CC)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473953803 564259643 /nfs/dbraw/zinc/25/96/43/564259643.db2.gz VHSWFQUHAYILLL-CQSZACIVSA-N -1 3 377.894 2.893 20 5 GFBDHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000511777785 564382408 /nfs/dbraw/zinc/38/24/08/564382408.db2.gz OVFBHOHRMIJTBT-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c(F)c1 ZINC000551199811 564642261 /nfs/dbraw/zinc/64/22/61/564642261.db2.gz GXPAOTSABKNHBK-UHFFFAOYSA-N -1 3 382.398 2.664 20 5 GFBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882819 564703561 /nfs/dbraw/zinc/70/35/61/564703561.db2.gz AYYOTHUQQYKVRC-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539291 564725147 /nfs/dbraw/zinc/72/51/47/564725147.db2.gz ZBLZAJKBUPOPAS-IAQYHMDHSA-N -1 3 390.845 2.648 20 5 GFBDHM NC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000555529959 564795710 /nfs/dbraw/zinc/79/57/10/564795710.db2.gz JMQLMLASFSONKF-UHFFFAOYSA-N -1 3 390.204 2.801 20 5 GFBDHM CCN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC(F)(F)F ZINC000494397228 564828014 /nfs/dbraw/zinc/82/80/14/564828014.db2.gz ZKPJJVMUOMBNCM-UHFFFAOYSA-N -1 3 389.421 2.517 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000530904218 564898010 /nfs/dbraw/zinc/89/80/10/564898010.db2.gz BYYFELVNQPFTFN-UHFFFAOYSA-N -1 3 392.767 2.884 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000467043399 564954640 /nfs/dbraw/zinc/95/46/40/564954640.db2.gz FOCYFLXGYISYSE-LBPRGKRZSA-N -1 3 384.483 2.578 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)cc1[N+](=O)[O-] ZINC000563058976 565053373 /nfs/dbraw/zinc/05/33/73/565053373.db2.gz PSPPIVTUBXTGBV-JTQLQIEISA-N -1 3 386.476 2.796 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000590551338 565192028 /nfs/dbraw/zinc/19/20/28/565192028.db2.gz UWSLDUXZFABPKB-NSHDSACASA-N -1 3 383.451 2.579 20 5 GFBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116515 565258313 /nfs/dbraw/zinc/25/83/13/565258313.db2.gz VOOYJFIRRKJJCE-WRWORJQWSA-N -1 3 381.273 2.530 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000619503056 565345821 /nfs/dbraw/zinc/34/58/21/565345821.db2.gz DZXQVFPQVPHVRM-UHFFFAOYSA-N -1 3 387.202 2.988 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000603975472 565920421 /nfs/dbraw/zinc/92/04/21/565920421.db2.gz CHRZBWHUKZILKM-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737925069 599163214 /nfs/dbraw/zinc/16/32/14/599163214.db2.gz OEZZNYYHPKTPNX-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737925069 599163216 /nfs/dbraw/zinc/16/32/16/599163216.db2.gz OEZZNYYHPKTPNX-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738358272 599167309 /nfs/dbraw/zinc/16/73/09/599167309.db2.gz DPDJTRBTAOFJAP-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738358272 599167312 /nfs/dbraw/zinc/16/73/12/599167312.db2.gz DPDJTRBTAOFJAP-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737367896 599189872 /nfs/dbraw/zinc/18/98/72/599189872.db2.gz CIRNBTGFXSRZEW-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000738374246 599232360 /nfs/dbraw/zinc/23/23/60/599232360.db2.gz LPZQFQWUYNYAJR-UHFFFAOYSA-N -1 3 390.201 2.587 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000738374246 599232362 /nfs/dbraw/zinc/23/23/62/599232362.db2.gz LPZQFQWUYNYAJR-UHFFFAOYSA-N -1 3 390.201 2.587 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736201886 598252520 /nfs/dbraw/zinc/25/25/20/598252520.db2.gz ISMVZBLIMDKCIG-CQSZACIVSA-N -1 3 379.424 2.658 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000737221844 598272789 /nfs/dbraw/zinc/27/27/89/598272789.db2.gz PUWLEBVYZWGAMI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000737221844 598272790 /nfs/dbraw/zinc/27/27/90/598272790.db2.gz PUWLEBVYZWGAMI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(Br)ccc32)c(-c2nnn[n-]2)c1 ZINC000738369278 598501469 /nfs/dbraw/zinc/50/14/69/598501469.db2.gz KFJSYUVPEATMEJ-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(Br)ccc32)c(-c2nn[n-]n2)c1 ZINC000738369278 598501471 /nfs/dbraw/zinc/50/14/71/598501471.db2.gz KFJSYUVPEATMEJ-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000738147425 598547786 /nfs/dbraw/zinc/54/77/86/598547786.db2.gz WDYUJUWYKCHPCO-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738368227 598676220 /nfs/dbraw/zinc/67/62/20/598676220.db2.gz AVNDLJCQFYZWNE-OAHLLOKOSA-N -1 3 394.313 2.637 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@](O)(c2ccccc2)C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738368227 598676222 /nfs/dbraw/zinc/67/62/22/598676222.db2.gz AVNDLJCQFYZWNE-OAHLLOKOSA-N -1 3 394.313 2.637 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738359756 598798104 /nfs/dbraw/zinc/79/81/04/598798104.db2.gz NHGZYWMFQGXFKA-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738359756 598798105 /nfs/dbraw/zinc/79/81/05/598798105.db2.gz NHGZYWMFQGXFKA-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193940 599306113 /nfs/dbraw/zinc/30/61/13/599306113.db2.gz VEUQAYDYKSVMFV-NSHDSACASA-N -1 3 384.421 2.919 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193940 599306115 /nfs/dbraw/zinc/30/61/15/599306115.db2.gz VEUQAYDYKSVMFV-NSHDSACASA-N -1 3 384.421 2.919 20 5 GFBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616795 599320442 /nfs/dbraw/zinc/32/04/42/599320442.db2.gz HXJGGUYYGOPWGD-UHFFFAOYSA-N -1 3 376.380 2.597 20 5 GFBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616795 599320444 /nfs/dbraw/zinc/32/04/44/599320444.db2.gz HXJGGUYYGOPWGD-UHFFFAOYSA-N -1 3 376.380 2.597 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737261989 599323923 /nfs/dbraw/zinc/32/39/23/599323923.db2.gz BGUZLRXEOFQNIN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737261989 599323927 /nfs/dbraw/zinc/32/39/27/599323927.db2.gz BGUZLRXEOFQNIN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc([C@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822230691 599474493 /nfs/dbraw/zinc/47/44/93/599474493.db2.gz NPRLLZYFQNOKEQ-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccc([C@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822230691 599474495 /nfs/dbraw/zinc/47/44/95/599474495.db2.gz NPRLLZYFQNOKEQ-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccsc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645992 599567342 /nfs/dbraw/zinc/56/73/42/599567342.db2.gz ZDXHILSCKQPDER-AWEZNQCLSA-N -1 3 383.393 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccsc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645992 599567345 /nfs/dbraw/zinc/56/73/45/599567345.db2.gz ZDXHILSCKQPDER-AWEZNQCLSA-N -1 3 383.393 2.530 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821846363 607402598 /nfs/dbraw/zinc/40/25/98/607402598.db2.gz SBOZFQRIIZBKTF-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821846363 607402599 /nfs/dbraw/zinc/40/25/99/607402599.db2.gz SBOZFQRIIZBKTF-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000824499861 607453282 /nfs/dbraw/zinc/45/32/82/607453282.db2.gz RRBPXQYCLQLAAO-LBPRGKRZSA-N -1 3 393.407 2.824 20 5 GFBDHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000824499861 607453284 /nfs/dbraw/zinc/45/32/84/607453284.db2.gz RRBPXQYCLQLAAO-LBPRGKRZSA-N -1 3 393.407 2.824 20 5 GFBDHM Cc1nnc(-c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c2)n1C ZINC000822505191 607469878 /nfs/dbraw/zinc/46/98/78/607469878.db2.gz BPAUTTQSWDJQAI-UHFFFAOYSA-N -1 3 377.368 2.622 20 5 GFBDHM Cc1nnc(-c2cccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c2)n1C ZINC000822505191 607469879 /nfs/dbraw/zinc/46/98/79/607469879.db2.gz BPAUTTQSWDJQAI-UHFFFAOYSA-N -1 3 377.368 2.622 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631787 607598500 /nfs/dbraw/zinc/59/85/00/607598500.db2.gz GDJPVHRJPSRGJO-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631787 607598501 /nfs/dbraw/zinc/59/85/01/607598501.db2.gz GDJPVHRJPSRGJO-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826303794 607599289 /nfs/dbraw/zinc/59/92/89/607599289.db2.gz FQMGTUFDBXBMMY-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(OCCN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500434 604041063 /nfs/dbraw/zinc/04/10/63/604041063.db2.gz KKMAONYBCBGVBQ-GDBMZVCRSA-N -1 3 393.440 2.837 20 5 GFBDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000822622389 606252012 /nfs/dbraw/zinc/25/20/12/606252012.db2.gz CGUMAWYTAKYYPG-UHFFFAOYSA-N -1 3 381.396 2.703 20 5 GFBDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000822622389 606252013 /nfs/dbraw/zinc/25/20/13/606252013.db2.gz CGUMAWYTAKYYPG-UHFFFAOYSA-N -1 3 381.396 2.703 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(OCCCc2ccccc2)C1 ZINC000823630095 606303618 /nfs/dbraw/zinc/30/36/18/606303618.db2.gz RFAWIZRNDUCVLK-UHFFFAOYSA-N -1 3 380.408 2.613 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(OCCCc2ccccc2)C1 ZINC000823630095 606303620 /nfs/dbraw/zinc/30/36/20/606303620.db2.gz RFAWIZRNDUCVLK-UHFFFAOYSA-N -1 3 380.408 2.613 20 5 GFBDHM C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820506998 606359295 /nfs/dbraw/zinc/35/92/95/606359295.db2.gz FGOZDDXVWVIVLX-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820506998 606359297 /nfs/dbraw/zinc/35/92/97/606359297.db2.gz FGOZDDXVWVIVLX-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820920802 606601943 /nfs/dbraw/zinc/60/19/43/606601943.db2.gz SQNHEQXQSOKXAX-MRXNPFEDSA-N -1 3 399.386 2.865 20 5 GFBDHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000820920802 606601946 /nfs/dbraw/zinc/60/19/46/606601946.db2.gz SQNHEQXQSOKXAX-MRXNPFEDSA-N -1 3 399.386 2.865 20 5 GFBDHM Cc1cc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)ncc1[N+](=O)[O-] ZINC000822209582 606643550 /nfs/dbraw/zinc/64/35/50/606643550.db2.gz OURFAFWULKWMAS-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)ncc1[N+](=O)[O-] ZINC000822209582 606643551 /nfs/dbraw/zinc/64/35/51/606643551.db2.gz OURFAFWULKWMAS-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM COc1ccc(-n2ccc(CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)n2)cc1 ZINC000821769902 606645545 /nfs/dbraw/zinc/64/55/45/606645545.db2.gz LVGLSWMDWKHQES-UHFFFAOYSA-N -1 3 392.379 2.581 20 5 GFBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000823630238 606714728 /nfs/dbraw/zinc/71/47/28/606714728.db2.gz SVOYHADVJOIBDU-UHFFFAOYSA-N -1 3 397.786 2.812 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821679280 606880673 /nfs/dbraw/zinc/88/06/73/606880673.db2.gz ZHJYYVWIMPRAQM-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821679280 606880674 /nfs/dbraw/zinc/88/06/74/606880674.db2.gz ZHJYYVWIMPRAQM-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM Cc1nn(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822501125 606998933 /nfs/dbraw/zinc/99/89/33/606998933.db2.gz XCQQNGRCXRFZBL-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM Cc1nn(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822501125 606998934 /nfs/dbraw/zinc/99/89/34/606998934.db2.gz XCQQNGRCXRFZBL-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM Cc1cnccc1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826319888 607851449 /nfs/dbraw/zinc/85/14/49/607851449.db2.gz XOTLXHDGLZYRGN-UHFFFAOYSA-N -1 3 376.380 2.681 20 5 GFBDHM Cc1cnccc1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826319888 607851450 /nfs/dbraw/zinc/85/14/50/607851450.db2.gz XOTLXHDGLZYRGN-UHFFFAOYSA-N -1 3 376.380 2.681 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826499202 607905756 /nfs/dbraw/zinc/90/57/56/607905756.db2.gz ZNKXRZZGGFDUBT-AWEZNQCLSA-N -1 3 390.407 2.794 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826499202 607905757 /nfs/dbraw/zinc/90/57/57/607905757.db2.gz ZNKXRZZGGFDUBT-AWEZNQCLSA-N -1 3 390.407 2.794 20 5 GFBDHM O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472902 607951844 /nfs/dbraw/zinc/95/18/44/607951844.db2.gz BUMVOUPNWPCQEW-UHFFFAOYSA-N -1 3 391.391 2.552 20 5 GFBDHM O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472902 607951845 /nfs/dbraw/zinc/95/18/45/607951845.db2.gz BUMVOUPNWPCQEW-UHFFFAOYSA-N -1 3 391.391 2.552 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826421502 607979747 /nfs/dbraw/zinc/97/97/47/607979747.db2.gz LAMFYUXUMIICPO-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826421502 607979748 /nfs/dbraw/zinc/97/97/48/607979748.db2.gz LAMFYUXUMIICPO-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826421513 607981538 /nfs/dbraw/zinc/98/15/38/607981538.db2.gz LSCLHYZAMSJZBV-UHFFFAOYSA-N -1 3 381.327 2.577 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826421513 607981539 /nfs/dbraw/zinc/98/15/39/607981539.db2.gz LSCLHYZAMSJZBV-UHFFFAOYSA-N -1 3 381.327 2.577 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1sccc1-c1nnn[n-]1 ZINC000826467858 608029471 /nfs/dbraw/zinc/02/94/71/608029471.db2.gz OXZAKHSDRFJLID-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM Cc1c(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236224 608069033 /nfs/dbraw/zinc/06/90/33/608069033.db2.gz CTVITVRXCKWHBO-SFHVURJKSA-N -1 3 380.408 2.657 20 5 GFBDHM Cc1c(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236224 608069034 /nfs/dbraw/zinc/06/90/34/608069034.db2.gz CTVITVRXCKWHBO-SFHVURJKSA-N -1 3 380.408 2.657 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1F ZINC000826187498 608161205 /nfs/dbraw/zinc/16/12/05/608161205.db2.gz SSVBSOPHSAEXKG-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1F ZINC000826187498 608161207 /nfs/dbraw/zinc/16/12/07/608161207.db2.gz SSVBSOPHSAEXKG-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000825972254 608229165 /nfs/dbraw/zinc/22/91/65/608229165.db2.gz YAILGJOJNIUHGF-UHFFFAOYSA-N -1 3 389.375 2.595 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000825972254 608229166 /nfs/dbraw/zinc/22/91/66/608229166.db2.gz YAILGJOJNIUHGF-UHFFFAOYSA-N -1 3 389.375 2.595 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826498899 608287237 /nfs/dbraw/zinc/28/72/37/608287237.db2.gz NRHPDTVYXJXKMN-UHFFFAOYSA-N -1 3 381.396 2.540 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826498899 608287238 /nfs/dbraw/zinc/28/72/38/608287238.db2.gz NRHPDTVYXJXKMN-UHFFFAOYSA-N -1 3 381.396 2.540 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000826172088 608363810 /nfs/dbraw/zinc/36/38/10/608363810.db2.gz MZULYQUVDZUAFX-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000826172088 608363812 /nfs/dbraw/zinc/36/38/12/608363812.db2.gz MZULYQUVDZUAFX-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM Cc1nc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000826326831 608556896 /nfs/dbraw/zinc/55/68/96/608556896.db2.gz GRKRNIUCZYOSDW-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1nc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000826326831 608556898 /nfs/dbraw/zinc/55/68/98/608556898.db2.gz GRKRNIUCZYOSDW-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826272622 608569185 /nfs/dbraw/zinc/56/91/85/608569185.db2.gz SQTOCBLLVUORAV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826272622 608569186 /nfs/dbraw/zinc/56/91/86/608569186.db2.gz SQTOCBLLVUORAV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826263580 608796812 /nfs/dbraw/zinc/79/68/12/608796812.db2.gz IFEABYWXENGYGR-UHFFFAOYSA-N -1 3 396.407 2.509 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000826292274 609537355 /nfs/dbraw/zinc/53/73/55/609537355.db2.gz ONNXCGGBHKNETQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000826292274 609537357 /nfs/dbraw/zinc/53/73/57/609537357.db2.gz ONNXCGGBHKNETQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826188245 609617079 /nfs/dbraw/zinc/61/70/79/609617079.db2.gz REGMMYUOBYCICY-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826188245 609617081 /nfs/dbraw/zinc/61/70/81/609617081.db2.gz REGMMYUOBYCICY-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN3CCCC[C@H]23)c1Cl ZINC000830002432 660629408 /nfs/dbraw/zinc/62/94/08/660629408.db2.gz KDUPTIGFECWDMO-GHMZBOCLSA-N -1 3 394.280 2.807 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000129206529 654860244 /nfs/dbraw/zinc/86/02/44/654860244.db2.gz DIYUZYUFOVVXRR-XHDPSFHLSA-N -1 3 384.841 2.519 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271313792 655075690 /nfs/dbraw/zinc/07/56/90/655075690.db2.gz ZUQSRMGXGDTTBZ-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000292677746 655353279 /nfs/dbraw/zinc/35/32/79/655353279.db2.gz BPOPFAGINIUHFY-JTQLQIEISA-N -1 3 381.357 2.942 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292893886 655356248 /nfs/dbraw/zinc/35/62/48/655356248.db2.gz VJZDABVFGXBUJJ-JTQLQIEISA-N -1 3 381.357 2.942 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751485895 655829721 /nfs/dbraw/zinc/82/97/21/655829721.db2.gz IKTANVRSEDPTFJ-BJOHPYRUSA-N -1 3 388.804 2.788 20 5 GFBDHM CCCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000760614480 655988107 /nfs/dbraw/zinc/98/81/07/655988107.db2.gz FGXBPRRBBSIKSL-SNVBAGLBSA-N -1 3 378.834 2.567 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cs1 ZINC000768861524 656257097 /nfs/dbraw/zinc/25/70/97/656257097.db2.gz KXSWDYVJHYMYQI-UHFFFAOYSA-N -1 3 376.799 2.882 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719544 657323866 /nfs/dbraw/zinc/32/38/66/657323866.db2.gz CBGSBJMMZARICT-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788084068 657648980 /nfs/dbraw/zinc/64/89/80/657648980.db2.gz WXQVIQAMTYWGOX-UHFFFAOYSA-N -1 3 395.275 2.577 20 5 GFBDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000794589126 658569599 /nfs/dbraw/zinc/56/95/99/658569599.db2.gz JRGTWBRFFBRRNE-UHFFFAOYSA-N -1 3 384.801 2.541 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000800929935 659351955 /nfs/dbraw/zinc/35/19/55/659351955.db2.gz BHPBUFLTVZIGNG-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM CC(C)(C)N1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814996266 660100634 /nfs/dbraw/zinc/10/06/34/660100634.db2.gz NQZWTXYNRDYHSP-UHFFFAOYSA-N -1 3 393.868 2.929 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC000921716816 664563758 /nfs/dbraw/zinc/56/37/58/664563758.db2.gz OAVJDOUQDUMXSO-IUCAKERBSA-N -1 3 395.300 2.920 20 5 GFBDHM O=[N+]([O-])c1cc2ccccc2nc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000473505546 532592623 /nfs/dbraw/zinc/59/26/23/532592623.db2.gz GGWQFQKSLTUCEY-UHFFFAOYSA-N -1 3 378.435 2.595 20 5 GFBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313614 551618421 /nfs/dbraw/zinc/61/84/21/551618421.db2.gz VAVNLGBMAOXPCF-JTQLQIEISA-N -1 3 383.392 2.622 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000173539513 552087908 /nfs/dbraw/zinc/08/79/08/552087908.db2.gz PEKNHGVAQCUOGX-UONOGXRCSA-N -1 3 384.845 2.907 20 5 GFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183730759 552318032 /nfs/dbraw/zinc/31/80/32/552318032.db2.gz HOYYFHVEXBGRLD-UHFFFAOYSA-N -1 3 386.861 2.820 20 5 GFBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296901289 563307506 /nfs/dbraw/zinc/30/75/06/563307506.db2.gz DSRNQVNZIJCUNW-JTQLQIEISA-N -1 3 384.435 2.791 20 5 GFBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281216566 563369923 /nfs/dbraw/zinc/36/99/23/563369923.db2.gz QWJDAHOELCRLEC-MRVPVSSYSA-N -1 3 393.252 2.983 20 5 GFBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1Br)c1ccc([O-])cc1 ZINC000301508292 563406014 /nfs/dbraw/zinc/40/60/14/563406014.db2.gz HOKCIBNFKLFPLG-UHFFFAOYSA-N -1 3 380.198 2.905 20 5 GFBDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378255385 563500703 /nfs/dbraw/zinc/50/07/03/563500703.db2.gz WLJNNKKRCFCYCK-NSHDSACASA-N -1 3 384.845 2.609 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000443316406 563800555 /nfs/dbraw/zinc/80/05/55/563800555.db2.gz PCOONKVHHURGAC-ZDUSSCGKSA-N -1 3 376.862 2.858 20 5 GFBDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443345897 563801699 /nfs/dbraw/zinc/80/16/99/563801699.db2.gz SVIQZZXCEVOLDV-UWVGGRQHSA-N -1 3 384.376 2.689 20 5 GFBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410183 563824390 /nfs/dbraw/zinc/82/43/90/563824390.db2.gz DVQHZTRQNVEMCJ-SNVBAGLBSA-N -1 3 384.376 2.691 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000416535520 563844433 /nfs/dbraw/zinc/84/44/33/563844433.db2.gz JGOAZWLBHXDHHX-SECBINFHSA-N -1 3 383.451 2.588 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccncc2)c(C(F)(F)F)c1 ZINC000447039371 563873100 /nfs/dbraw/zinc/87/31/00/563873100.db2.gz ONFOBYAHRQCGPA-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040152 563873195 /nfs/dbraw/zinc/87/31/95/563873195.db2.gz RCYRLJPLAQRSFW-SECBINFHSA-N -1 3 395.275 2.839 20 5 GFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000564103314 564220297 /nfs/dbraw/zinc/22/02/97/564220297.db2.gz WQYNXUDCGZOHCA-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474300041 564273286 /nfs/dbraw/zinc/27/32/86/564273286.db2.gz WCDABVNJAZWYMR-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])c1 ZINC000541827592 564290702 /nfs/dbraw/zinc/29/07/02/564290702.db2.gz SFUDPQARGVOGMT-UHFFFAOYSA-N -1 3 382.825 2.970 20 5 GFBDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838196 564298992 /nfs/dbraw/zinc/29/89/92/564298992.db2.gz MMBCAXLJHLSVBW-BXKDBHETSA-N -1 3 384.376 2.689 20 5 GFBDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000542240938 564306698 /nfs/dbraw/zinc/30/66/98/564306698.db2.gz CQGLUOIVIWVFLS-LBPRGKRZSA-N -1 3 388.829 2.767 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451645601 564335189 /nfs/dbraw/zinc/33/51/89/564335189.db2.gz BDPSCIRITHJMHJ-QMMMGPOBSA-N -1 3 390.767 2.884 20 5 GFBDHM COc1c(S(=O)(=O)[N-][C@@H](C)C2CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451745070 564348050 /nfs/dbraw/zinc/34/80/50/564348050.db2.gz NMFPONKFNYJRSR-QMMMGPOBSA-N -1 3 393.259 2.751 20 5 GFBDHM COc1cc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ncc1Br ZINC000476978984 564360995 /nfs/dbraw/zinc/36/09/95/564360995.db2.gz HYPIIUNJHTVGSR-UHFFFAOYSA-N -1 3 384.190 2.860 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(CSC)cc2)c([N+](=O)[O-])c1 ZINC000511416876 564371616 /nfs/dbraw/zinc/37/16/16/564371616.db2.gz UQWOIKQMURKPPV-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000544655490 564392256 /nfs/dbraw/zinc/39/22/56/564392256.db2.gz RMBNGLKZKLRXCF-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696033 564482255 /nfs/dbraw/zinc/48/22/55/564482255.db2.gz VRMFSNGGYPYKJD-SECBINFHSA-N -1 3 384.285 2.910 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000518620186 564558016 /nfs/dbraw/zinc/55/80/16/564558016.db2.gz MJPAXXHJIDJVOC-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132534 564677441 /nfs/dbraw/zinc/67/74/41/564677441.db2.gz IIGOPISPOQHALD-IAQYHMDHSA-N -1 3 376.862 2.978 20 5 GFBDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539293 564725282 /nfs/dbraw/zinc/72/52/82/564725282.db2.gz ZBLZAJKBUPOPAS-NHYWBVRUSA-N -1 3 390.845 2.648 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000553907040 564744402 /nfs/dbraw/zinc/74/44/02/564744402.db2.gz YQLQACSSMNMPNW-LBPRGKRZSA-N -1 3 384.841 2.611 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)c(Br)c1 ZINC000490058205 564761297 /nfs/dbraw/zinc/76/12/97/564761297.db2.gz SELOVWANXFJFEX-QMMMGPOBSA-N -1 3 381.273 2.531 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467423127 564963651 /nfs/dbraw/zinc/96/36/51/564963651.db2.gz KYFFGSRGQJXIGR-UHFFFAOYSA-N -1 3 381.479 2.696 20 5 GFBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000468887878 564997543 /nfs/dbraw/zinc/99/75/43/564997543.db2.gz HXDZCJKDHXZDDN-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000503591980 565023950 /nfs/dbraw/zinc/02/39/50/565023950.db2.gz KWBDMVXBVCBMGN-UHFFFAOYSA-N -1 3 383.857 2.625 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)nc1 ZINC000593531823 565338187 /nfs/dbraw/zinc/33/81/87/565338187.db2.gz UASHZONFSYOFFA-UHFFFAOYSA-N -1 3 385.829 2.781 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000593585267 565344987 /nfs/dbraw/zinc/34/49/87/565344987.db2.gz GROQRLAPTKKZAK-ZCFIWIBFSA-N -1 3 382.345 2.505 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C ZINC000603975470 565920779 /nfs/dbraw/zinc/92/07/79/565920779.db2.gz CHRZBWHUKZILKM-NEPJUHHUSA-N -1 3 375.878 2.789 20 5 GFBDHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000609277276 566034242 /nfs/dbraw/zinc/03/42/42/566034242.db2.gz WUJVDCBGKQBPMH-LBPRGKRZSA-N -1 3 384.435 2.629 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c(Cl)c1 ZINC000609314413 566034254 /nfs/dbraw/zinc/03/42/54/566034254.db2.gz AJESIJNIXASNBI-UHFFFAOYSA-N -1 3 392.767 2.884 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCO1 ZINC000611469375 566131092 /nfs/dbraw/zinc/13/10/92/566131092.db2.gz RAJPQQFVQBFCBT-CABZTGNLSA-N -1 3 393.259 2.593 20 5 GFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000738192380 598829650 /nfs/dbraw/zinc/82/96/50/598829650.db2.gz PRZHQSPGFLTDJC-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000738192380 598829651 /nfs/dbraw/zinc/82/96/51/598829651.db2.gz PRZHQSPGFLTDJC-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038135 598889134 /nfs/dbraw/zinc/88/91/34/598889134.db2.gz SFMZSSXTHPTHOW-RSPDNQDQSA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038135 598889135 /nfs/dbraw/zinc/88/91/35/598889135.db2.gz SFMZSSXTHPTHOW-RSPDNQDQSA-N -1 3 395.375 2.799 20 5 GFBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737929941 599162727 /nfs/dbraw/zinc/16/27/27/599162727.db2.gz JYCASNUVODFTMN-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737929941 599162729 /nfs/dbraw/zinc/16/27/29/599162729.db2.gz JYCASNUVODFTMN-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737918527 599162753 /nfs/dbraw/zinc/16/27/53/599162753.db2.gz JAMWPLWFYAWVQX-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM COc1cccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737140689 599231315 /nfs/dbraw/zinc/23/13/15/599231315.db2.gz SEJJPNBHGJHZSY-AWEZNQCLSA-N -1 3 395.423 2.864 20 5 GFBDHM COc1cccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737140689 599231318 /nfs/dbraw/zinc/23/13/18/599231318.db2.gz SEJJPNBHGJHZSY-AWEZNQCLSA-N -1 3 395.423 2.864 20 5 GFBDHM O=[N+]([O-])c1ccc(N(CCCO)Cc2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000823639973 607332257 /nfs/dbraw/zinc/33/22/57/607332257.db2.gz NVPRFYXPPNSCHL-UHFFFAOYSA-N -1 3 388.815 2.817 20 5 GFBDHM O=[N+]([O-])c1ccc(N(CCCO)Cc2cccc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000823639973 607332258 /nfs/dbraw/zinc/33/22/58/607332258.db2.gz NVPRFYXPPNSCHL-UHFFFAOYSA-N -1 3 388.815 2.817 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000736170036 598272326 /nfs/dbraw/zinc/27/23/26/598272326.db2.gz QRPSGNFRKAXOJM-VXGBXAGGSA-N -1 3 383.364 2.847 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735874002 598382196 /nfs/dbraw/zinc/38/21/96/598382196.db2.gz LBOBEOSOIXBJPM-UHFFFAOYSA-N -1 3 395.423 2.624 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738236235 598432400 /nfs/dbraw/zinc/43/24/00/598432400.db2.gz GEGMKVRNDQIQOL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738236235 598432398 /nfs/dbraw/zinc/43/23/98/598432398.db2.gz GEGMKVRNDQIQOL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000738371634 598460003 /nfs/dbraw/zinc/46/00/03/598460003.db2.gz VIVGEOHZHWNVQT-HNNXBMFYSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000738371634 598460005 /nfs/dbraw/zinc/46/00/05/598460005.db2.gz VIVGEOHZHWNVQT-HNNXBMFYSA-N -1 3 394.391 2.888 20 5 GFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000737848163 598546801 /nfs/dbraw/zinc/54/68/01/598546801.db2.gz OSGZXJOXIQVTRR-UHFFFAOYSA-N -1 3 394.800 2.897 20 5 GFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC000737848163 598546802 /nfs/dbraw/zinc/54/68/02/598546802.db2.gz OSGZXJOXIQVTRR-UHFFFAOYSA-N -1 3 394.800 2.897 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738146917 598570477 /nfs/dbraw/zinc/57/04/77/598570477.db2.gz TZXPWGIRCDHHDY-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738146917 598570478 /nfs/dbraw/zinc/57/04/78/598570478.db2.gz TZXPWGIRCDHHDY-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000736731381 598647939 /nfs/dbraw/zinc/64/79/39/598647939.db2.gz BHKJTPOOGSIAPK-UHFFFAOYSA-N -1 3 396.407 2.987 20 5 GFBDHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000736731381 598647941 /nfs/dbraw/zinc/64/79/41/598647941.db2.gz BHKJTPOOGSIAPK-UHFFFAOYSA-N -1 3 396.407 2.987 20 5 GFBDHM C[C@@H](COCC(F)(F)F)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287884 599500611 /nfs/dbraw/zinc/50/06/11/599500611.db2.gz RTLZOYUYRIUTQC-QMMMGPOBSA-N -1 3 397.317 2.702 20 5 GFBDHM C[C@@H](COCC(F)(F)F)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287884 599500615 /nfs/dbraw/zinc/50/06/15/599500615.db2.gz RTLZOYUYRIUTQC-QMMMGPOBSA-N -1 3 397.317 2.702 20 5 GFBDHM C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820320997 599503472 /nfs/dbraw/zinc/50/34/72/599503472.db2.gz AQLKJVUNSZJQQB-CYBMUJFWSA-N -1 3 395.423 2.844 20 5 GFBDHM C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820320997 599503474 /nfs/dbraw/zinc/50/34/74/599503474.db2.gz AQLKJVUNSZJQQB-CYBMUJFWSA-N -1 3 395.423 2.844 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3COc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000823645903 599504313 /nfs/dbraw/zinc/50/43/13/599504313.db2.gz VKPSHVZVVVGDJX-HNNXBMFYSA-N -1 3 375.348 2.869 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3COc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000823645903 599504316 /nfs/dbraw/zinc/50/43/16/599504316.db2.gz VKPSHVZVVVGDJX-HNNXBMFYSA-N -1 3 375.348 2.869 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000822271440 599667548 /nfs/dbraw/zinc/66/75/48/599667548.db2.gz ZTGZBIGUCANGDE-UHFFFAOYSA-N -1 3 378.348 2.693 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000822271440 599667549 /nfs/dbraw/zinc/66/75/49/599667549.db2.gz ZTGZBIGUCANGDE-UHFFFAOYSA-N -1 3 378.348 2.693 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826230843 607446707 /nfs/dbraw/zinc/44/67/07/607446707.db2.gz LVKYDLVFKCQFKZ-UHFFFAOYSA-N -1 3 396.432 2.916 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826230843 607446709 /nfs/dbraw/zinc/44/67/09/607446709.db2.gz LVKYDLVFKCQFKZ-UHFFFAOYSA-N -1 3 396.432 2.916 20 5 GFBDHM COc1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc1-c1nnn[n-]1 ZINC000826203940 607559871 /nfs/dbraw/zinc/55/98/71/607559871.db2.gz NJWSWHKFTCWQQF-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc1-c1nn[n-]n1 ZINC000826203940 607559873 /nfs/dbraw/zinc/55/98/73/607559873.db2.gz NJWSWHKFTCWQQF-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM O=[N+]([O-])c1cc(N2CC[C@H](COCc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000826498013 607567636 /nfs/dbraw/zinc/56/76/36/607567636.db2.gz DANKWFXDWXIHCI-HNNXBMFYSA-N -1 3 380.408 2.818 20 5 GFBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1-c1nnn[n-]1 ZINC000826205750 607595792 /nfs/dbraw/zinc/59/57/92/607595792.db2.gz KYUHBXPRACDTQR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1-c1nn[n-]n1 ZINC000826205750 607595793 /nfs/dbraw/zinc/59/57/93/607595793.db2.gz KYUHBXPRACDTQR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206407 607612564 /nfs/dbraw/zinc/61/25/64/607612564.db2.gz RONOBNVZRXJGTR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206407 607612565 /nfs/dbraw/zinc/61/25/65/607612565.db2.gz RONOBNVZRXJGTR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000833412974 605180284 /nfs/dbraw/zinc/18/02/84/605180284.db2.gz MQQWEWAYCSPPGX-LJQANCHMSA-N -1 3 397.431 2.926 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000825545947 607760646 /nfs/dbraw/zinc/76/06/46/607760646.db2.gz YNXQQJBZXPGLPD-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000825545947 607760647 /nfs/dbraw/zinc/76/06/47/607760647.db2.gz YNXQQJBZXPGLPD-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CCCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644677 606143171 /nfs/dbraw/zinc/14/31/71/606143171.db2.gz KFPQXKDTLOVGKS-IBGZPJMESA-N -1 3 395.423 2.720 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CCCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644677 606143172 /nfs/dbraw/zinc/14/31/72/606143172.db2.gz KFPQXKDTLOVGKS-IBGZPJMESA-N -1 3 395.423 2.720 20 5 GFBDHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820913883 606588331 /nfs/dbraw/zinc/58/83/31/606588331.db2.gz LLKFYBRVOINBRI-LRDDRELGSA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913883 606588332 /nfs/dbraw/zinc/58/83/32/606588332.db2.gz LLKFYBRVOINBRI-LRDDRELGSA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919276 606602091 /nfs/dbraw/zinc/60/20/91/606602091.db2.gz AQUZGGCPWHGBRE-INIZCTEOSA-N -1 3 399.386 2.865 20 5 GFBDHM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919276 606602093 /nfs/dbraw/zinc/60/20/93/606602093.db2.gz AQUZGGCPWHGBRE-INIZCTEOSA-N -1 3 399.386 2.865 20 5 GFBDHM O=[N+]([O-])c1cc(NCCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000823634979 606645221 /nfs/dbraw/zinc/64/52/21/606645221.db2.gz PDDFIMADFMFZBW-UHFFFAOYSA-N -1 3 376.380 2.615 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823355554 606677173 /nfs/dbraw/zinc/67/71/73/606677173.db2.gz FBUOHWRXVQEUBB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823355554 606677174 /nfs/dbraw/zinc/67/71/74/606677174.db2.gz FBUOHWRXVQEUBB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM COC(=O)c1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821667930 606786964 /nfs/dbraw/zinc/78/69/64/606786964.db2.gz HEQCAVJEGAXAAE-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM COC(=O)c1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821667930 606786966 /nfs/dbraw/zinc/78/69/66/606786966.db2.gz HEQCAVJEGAXAAE-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823634731 606789641 /nfs/dbraw/zinc/78/96/41/606789641.db2.gz KXKREFAYAMNOSF-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823634731 606789642 /nfs/dbraw/zinc/78/96/42/606789642.db2.gz KXKREFAYAMNOSF-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000821565116 607036616 /nfs/dbraw/zinc/03/66/16/607036616.db2.gz DTWVGXCWNHFRFX-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000821565116 607036617 /nfs/dbraw/zinc/03/66/17/607036617.db2.gz DTWVGXCWNHFRFX-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccc([O-])c(Br)c1 ZINC000823629968 607043749 /nfs/dbraw/zinc/04/37/49/607043749.db2.gz OLQADMLNLPNFEL-UHFFFAOYSA-N -1 3 391.185 2.855 20 5 GFBDHM Cc1c(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822059580 607138451 /nfs/dbraw/zinc/13/84/51/607138451.db2.gz CXRAZAVRDVUCRZ-JTQLQIEISA-N -1 3 386.343 2.628 20 5 GFBDHM Cc1c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822059580 607138453 /nfs/dbraw/zinc/13/84/53/607138453.db2.gz CXRAZAVRDVUCRZ-JTQLQIEISA-N -1 3 386.343 2.628 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823246105 607205355 /nfs/dbraw/zinc/20/53/55/607205355.db2.gz BUFGQOFWBRJRSD-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823246105 607205356 /nfs/dbraw/zinc/20/53/56/607205356.db2.gz BUFGQOFWBRJRSD-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824009734 607972991 /nfs/dbraw/zinc/97/29/91/607972991.db2.gz CMGNVCJZYQEYDX-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824009734 607972992 /nfs/dbraw/zinc/97/29/92/607972992.db2.gz CMGNVCJZYQEYDX-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826421612 607979753 /nfs/dbraw/zinc/97/97/53/607979753.db2.gz QJGMUSOBHNLAGQ-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826421612 607979754 /nfs/dbraw/zinc/97/97/54/607979754.db2.gz QJGMUSOBHNLAGQ-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826498472 608052698 /nfs/dbraw/zinc/05/26/98/608052698.db2.gz WNJVQPVQDPAIDN-HNNXBMFYSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826498472 608052699 /nfs/dbraw/zinc/05/26/99/608052699.db2.gz WNJVQPVQDPAIDN-HNNXBMFYSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498778 608099899 /nfs/dbraw/zinc/09/98/99/608099899.db2.gz JINGKFYAXMHIEA-CQSZACIVSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498778 608099900 /nfs/dbraw/zinc/09/99/00/608099900.db2.gz JINGKFYAXMHIEA-CQSZACIVSA-N -1 3 378.751 2.713 20 5 GFBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391821 608123483 /nfs/dbraw/zinc/12/34/83/608123483.db2.gz KYISIXBATKUYKY-BONVTDFDSA-N -1 3 395.379 2.840 20 5 GFBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391821 608123484 /nfs/dbraw/zinc/12/34/84/608123484.db2.gz KYISIXBATKUYKY-BONVTDFDSA-N -1 3 395.379 2.840 20 5 GFBDHM O=C(C=Cc1cncc(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403069 608163772 /nfs/dbraw/zinc/16/37/72/608163772.db2.gz JDEUYOLXOABXQU-OWOJBTEDSA-N -1 3 389.734 2.614 20 5 GFBDHM O=C(C=Cc1cncc(F)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403069 608163773 /nfs/dbraw/zinc/16/37/73/608163773.db2.gz JDEUYOLXOABXQU-OWOJBTEDSA-N -1 3 389.734 2.614 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cn1 ZINC000826450928 608164078 /nfs/dbraw/zinc/16/40/78/608164078.db2.gz IYVCCQLYQAFQHN-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cn1 ZINC000826450928 608164080 /nfs/dbraw/zinc/16/40/80/608164080.db2.gz IYVCCQLYQAFQHN-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1(C(F)(F)F)CC1 ZINC000826450548 608164272 /nfs/dbraw/zinc/16/42/72/608164272.db2.gz QWWCBNKTYQDEHO-UHFFFAOYSA-N -1 3 376.682 2.709 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1(C(F)(F)F)CC1 ZINC000826450548 608164274 /nfs/dbraw/zinc/16/42/74/608164274.db2.gz QWWCBNKTYQDEHO-UHFFFAOYSA-N -1 3 376.682 2.709 20 5 GFBDHM O=[N+]([O-])c1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826499603 609280215 /nfs/dbraw/zinc/28/02/15/609280215.db2.gz PEHDNCLDCWWRMV-UHFFFAOYSA-N -1 3 380.343 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826293298 609465837 /nfs/dbraw/zinc/46/58/37/609465837.db2.gz KIUWBFBCIPPDJE-GFCCVEGCSA-N -1 3 382.380 2.800 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826293632 609539284 /nfs/dbraw/zinc/53/92/84/609539284.db2.gz WPECHIBTPVAUSL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826293632 609539285 /nfs/dbraw/zinc/53/92/85/609539285.db2.gz WPECHIBTPVAUSL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826272351 609560580 /nfs/dbraw/zinc/56/05/80/609560580.db2.gz FLBNTGGENQHBSV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826272351 609560582 /nfs/dbraw/zinc/56/05/82/609560582.db2.gz FLBNTGGENQHBSV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828374505 660545503 /nfs/dbraw/zinc/54/55/03/660545503.db2.gz UNKVASZLRFZJRQ-GMSGAONNSA-N -1 3 381.273 2.530 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)c1 ZINC000832180021 660761209 /nfs/dbraw/zinc/76/12/09/660761209.db2.gz LIVHZWHNPVOOPD-UHFFFAOYSA-N -1 3 380.825 2.601 20 5 GFBDHM CCOC(=O)Cc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000272830365 655122602 /nfs/dbraw/zinc/12/26/02/655122602.db2.gz KXFVHFRLPPTKHP-UHFFFAOYSA-N -1 3 384.435 2.909 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1SC ZINC000264139553 655457765 /nfs/dbraw/zinc/45/77/65/655457765.db2.gz LPJOASNMCWNMCW-UHFFFAOYSA-N -1 3 377.304 2.715 20 5 GFBDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000763088750 656071183 /nfs/dbraw/zinc/07/11/83/656071183.db2.gz ZXCYWACFLVOCFX-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1 ZINC000763377825 656081320 /nfs/dbraw/zinc/08/13/20/656081320.db2.gz HQXXKMAGRUULMN-SSDOTTSWSA-N -1 3 385.186 2.823 20 5 GFBDHM Cc1csc(Sc2ccc(C(=O)[N-]N3CCCC3=O)cc2[N+](=O)[O-])n1 ZINC000770545597 656322647 /nfs/dbraw/zinc/32/26/47/656322647.db2.gz KYYXRSVIVLWZQV-UHFFFAOYSA-N -1 3 378.435 2.778 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719542 657324087 /nfs/dbraw/zinc/32/40/87/657324087.db2.gz CBGSBJMMZARICT-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788416054 657712307 /nfs/dbraw/zinc/71/23/07/657712307.db2.gz JFFHGSOUZKBINH-SNVBAGLBSA-N -1 3 381.273 2.530 20 5 GFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000801928510 659433890 /nfs/dbraw/zinc/43/38/90/659433890.db2.gz UGFWBJHZFBXZHF-UHFFFAOYSA-N -1 3 384.161 2.714 20 5 GFBDHM O=C(c1c([O-])cccc1O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807524876 659857790 /nfs/dbraw/zinc/85/77/90/659857790.db2.gz YWPOPKBRKZJHEU-UHFFFAOYSA-N -1 3 393.193 2.967 20 5 GFBDHM Nc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000809832696 659946989 /nfs/dbraw/zinc/94/69/89/659946989.db2.gz RTSQJFZHUPGVSB-UHFFFAOYSA-N -1 3 376.221 2.962 20 5 GFBDHM COC(=O)c1cc(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c[n-]1 ZINC000814532425 660088542 /nfs/dbraw/zinc/08/85/42/660088542.db2.gz WXHFAUNEGVTTTD-UHFFFAOYSA-N -1 3 383.154 2.829 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000921711758 664563157 /nfs/dbraw/zinc/56/31/57/664563157.db2.gz JLRWQXYLACEAMH-DTWKUNHWSA-N -1 3 395.300 2.920 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000921711760 664563160 /nfs/dbraw/zinc/56/31/60/664563160.db2.gz JLRWQXYLACEAMH-RKDXNWHRSA-N -1 3 395.300 2.920 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1Cl ZINC000120911138 677398328 /nfs/dbraw/zinc/39/83/28/677398328.db2.gz LKCUOXPSGPCQRW-ZDUSSCGKSA-N -1 3 391.232 2.914 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000119421704 551216020 /nfs/dbraw/zinc/21/60/20/551216020.db2.gz ARNIWIOHGURKBV-UHFFFAOYSA-N -1 3 394.228 2.629 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154524309 551477213 /nfs/dbraw/zinc/47/72/13/551477213.db2.gz CKCXOIVFYRLXTP-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000154620170 551479518 /nfs/dbraw/zinc/47/95/18/551479518.db2.gz CYJPTLNRTHLLRH-UHFFFAOYSA-N -1 3 381.357 2.690 20 5 GFBDHM C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000183290915 552304923 /nfs/dbraw/zinc/30/49/23/552304923.db2.gz AZXCBIAHLAOAIT-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229769 552439644 /nfs/dbraw/zinc/43/96/44/552439644.db2.gz KKSFGEOQTCXNEJ-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000250083874 553147364 /nfs/dbraw/zinc/14/73/64/553147364.db2.gz CTJSFABXMGITEP-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000371506627 563279839 /nfs/dbraw/zinc/27/98/39/563279839.db2.gz TVRWSUBDAPOXNO-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1Br ZINC000378458122 563507517 /nfs/dbraw/zinc/50/75/17/563507517.db2.gz WVZBRZCYQYRZRU-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000429912794 563528583 /nfs/dbraw/zinc/52/85/83/563528583.db2.gz CFUSBLWEWUHKII-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000366337563 563805437 /nfs/dbraw/zinc/80/54/37/563805437.db2.gz GSSICOCHEZCPKB-FZMZJTMJSA-N -1 3 392.886 2.581 20 5 GFBDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416401204 563823280 /nfs/dbraw/zinc/82/32/80/563823280.db2.gz IKGPNEMKBTWMBW-LBPRGKRZSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457192 563831417 /nfs/dbraw/zinc/83/14/17/563831417.db2.gz XBPOKOHQYIHVCK-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490019 563838095 /nfs/dbraw/zinc/83/80/95/563838095.db2.gz TWZUXYUJQDWHHU-UWVGGRQHSA-N -1 3 382.360 2.565 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)O1 ZINC000416609067 563853290 /nfs/dbraw/zinc/85/32/90/563853290.db2.gz UBOOHPZETCEXKS-OPRDCNLKSA-N -1 3 382.360 2.705 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000416644430 563857067 /nfs/dbraw/zinc/85/70/67/563857067.db2.gz IPHFRQVMAJLVID-LLVKDONJSA-N -1 3 395.275 2.697 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474289508 564273655 /nfs/dbraw/zinc/27/36/55/564273655.db2.gz BENIIWFMFKKJJA-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000542762785 564325123 /nfs/dbraw/zinc/32/51/23/564325123.db2.gz YTZAJXVGLVTQSN-UHFFFAOYSA-N -1 3 386.788 2.801 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451646677 564334990 /nfs/dbraw/zinc/33/49/90/564334990.db2.gz JREGXRBKCADHLH-QMMMGPOBSA-N -1 3 376.378 2.601 20 5 GFBDHM COc1ncc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl ZINC000451785084 564351658 /nfs/dbraw/zinc/35/16/58/564351658.db2.gz FRTCBSFSINMIQL-UHFFFAOYSA-N -1 3 385.829 2.747 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893726 564363226 /nfs/dbraw/zinc/36/32/26/564363226.db2.gz CEAAZBZAYDOTDS-JSGCOSHPSA-N -1 3 383.451 2.558 20 5 GFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486636427 564660556 /nfs/dbraw/zinc/66/05/56/564660556.db2.gz FDFKPWQSWVTCMN-DTWKUNHWSA-N -1 3 387.849 2.919 20 5 GFBDHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486636427 564660560 /nfs/dbraw/zinc/66/05/60/564660560.db2.gz FDFKPWQSWVTCMN-DTWKUNHWSA-N -1 3 387.849 2.919 20 5 GFBDHM Cc1cc(I)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000553233792 564712791 /nfs/dbraw/zinc/71/27/91/564712791.db2.gz GBNAWWAOZSUTPB-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000490475386 564773103 /nfs/dbraw/zinc/77/31/03/564773103.db2.gz DOQNVELMIULAKP-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530710135 564892065 /nfs/dbraw/zinc/89/20/65/564892065.db2.gz SPSBIXNNNCPFKA-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530710135 564892069 /nfs/dbraw/zinc/89/20/69/564892069.db2.gz SPSBIXNNNCPFKA-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000499697798 564934074 /nfs/dbraw/zinc/93/40/74/564934074.db2.gz VWNHZHYBAMXEJP-UHFFFAOYSA-N -1 3 383.289 2.779 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000467069168 564955205 /nfs/dbraw/zinc/95/52/05/564955205.db2.gz JCFFTAJJFUZGBX-WBNWAKSLSA-N -1 3 388.492 2.742 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000467398583 564961664 /nfs/dbraw/zinc/96/16/64/564961664.db2.gz KDIUJGSNEFIQDJ-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591327539 565223866 /nfs/dbraw/zinc/22/38/66/565223866.db2.gz OXLRUYNVQMFYHJ-IUCAKERBSA-N -1 3 382.360 2.848 20 5 GFBDHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082509 565254114 /nfs/dbraw/zinc/25/41/14/565254114.db2.gz IRLSKLZAIKRQEQ-NXEZZACHSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113618 565258530 /nfs/dbraw/zinc/25/85/30/565258530.db2.gz OBAYABUEMGDVBG-OIBJUYFYSA-N -1 3 381.273 2.530 20 5 GFBDHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380739 565471667 /nfs/dbraw/zinc/47/16/67/565471667.db2.gz CDHVMPRQVFLJIQ-IAQYHMDHSA-N -1 3 384.841 2.691 20 5 GFBDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599410374 565677086 /nfs/dbraw/zinc/67/70/86/565677086.db2.gz IXPUCEJAJLMIJL-SNVBAGLBSA-N -1 3 384.376 2.689 20 5 GFBDHM CN(Cc1ccccc1)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611083700 566113852 /nfs/dbraw/zinc/11/38/52/566113852.db2.gz WSJUXUSWHQRTBJ-UHFFFAOYSA-N -1 3 383.495 2.845 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000738251847 598828598 /nfs/dbraw/zinc/82/85/98/598828598.db2.gz SLRBULZINZQFTB-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000738251847 598828601 /nfs/dbraw/zinc/82/86/01/598828601.db2.gz SLRBULZINZQFTB-UHFFFAOYSA-N -1 3 390.153 2.757 20 5 GFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820777999 599039989 /nfs/dbraw/zinc/03/99/89/599039989.db2.gz UHXGHHHJKUEXIV-APPDUMDISA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820777999 599039993 /nfs/dbraw/zinc/03/99/93/599039993.db2.gz UHXGHHHJKUEXIV-APPDUMDISA-N -1 3 384.371 2.880 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@H]21 ZINC000820583091 599041411 /nfs/dbraw/zinc/04/14/11/599041411.db2.gz BBNYRIJCBRHLFV-YMRXKLBXSA-N -1 3 395.423 2.939 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@H]21 ZINC000820583091 599041414 /nfs/dbraw/zinc/04/14/14/599041414.db2.gz BBNYRIJCBRHLFV-YMRXKLBXSA-N -1 3 395.423 2.939 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](COCc2ccccc2)C1 ZINC000823629619 599063129 /nfs/dbraw/zinc/06/31/29/599063129.db2.gz CAQXDNHGCHANAS-HNNXBMFYSA-N -1 3 380.408 2.818 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](COCc2ccccc2)C1 ZINC000823629619 599063132 /nfs/dbraw/zinc/06/31/32/599063132.db2.gz CAQXDNHGCHANAS-HNNXBMFYSA-N -1 3 380.408 2.818 20 5 GFBDHM Cn1ccnc1C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000822698936 599091534 /nfs/dbraw/zinc/09/15/34/599091534.db2.gz IXXQOTSDPQABNB-MRXNPFEDSA-N -1 3 390.407 2.904 20 5 GFBDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821220631 607305380 /nfs/dbraw/zinc/30/53/80/607305380.db2.gz CTSLDEJCGJQUBZ-UHFFFAOYSA-N -1 3 395.423 2.503 20 5 GFBDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821220631 607305381 /nfs/dbraw/zinc/30/53/81/607305381.db2.gz CTSLDEJCGJQUBZ-UHFFFAOYSA-N -1 3 395.423 2.503 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737282631 598289844 /nfs/dbraw/zinc/28/98/44/598289844.db2.gz HYRIRHFLXPXMAT-UHFFFAOYSA-N -1 3 378.348 2.693 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737282631 598289846 /nfs/dbraw/zinc/28/98/46/598289846.db2.gz HYRIRHFLXPXMAT-UHFFFAOYSA-N -1 3 378.348 2.693 20 5 GFBDHM C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736153762 598331004 /nfs/dbraw/zinc/33/10/04/598331004.db2.gz ZPEXSZDRIYEDCM-LBPRGKRZSA-N -1 3 383.364 2.848 20 5 GFBDHM C[C@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736153762 598331006 /nfs/dbraw/zinc/33/10/06/598331006.db2.gz ZPEXSZDRIYEDCM-LBPRGKRZSA-N -1 3 383.364 2.848 20 5 GFBDHM COc1ccccc1CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737153014 598353406 /nfs/dbraw/zinc/35/34/06/598353406.db2.gz ODPVDJJGTLZYDP-UHFFFAOYSA-N -1 3 395.423 2.638 20 5 GFBDHM COc1ccccc1CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737153014 598353408 /nfs/dbraw/zinc/35/34/08/598353408.db2.gz ODPVDJJGTLZYDP-UHFFFAOYSA-N -1 3 395.423 2.638 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736166989 598498035 /nfs/dbraw/zinc/49/80/35/598498035.db2.gz BRWILNGBVZSSLI-VIFPVBQESA-N -1 3 388.771 2.834 20 5 GFBDHM Cc1nc(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)sc1C ZINC000737474453 598500984 /nfs/dbraw/zinc/50/09/84/598500984.db2.gz OZVZLKWECRNXGD-UHFFFAOYSA-N -1 3 386.441 2.627 20 5 GFBDHM Cc1nc(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)sc1C ZINC000737474453 598500987 /nfs/dbraw/zinc/50/09/87/598500987.db2.gz OZVZLKWECRNXGD-UHFFFAOYSA-N -1 3 386.441 2.627 20 5 GFBDHM O=[N+]([O-])c1cnc(Sc2cc3c(cc2Cl)OCCO3)c(-c2nnn[n-]2)c1 ZINC000738373816 598501236 /nfs/dbraw/zinc/50/12/36/598501236.db2.gz HIJZNZJIWDOHGI-UHFFFAOYSA-N -1 3 392.784 2.746 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737284856 598502392 /nfs/dbraw/zinc/50/23/92/598502392.db2.gz NSRHJKZYGDTACU-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737374135 598576214 /nfs/dbraw/zinc/57/62/14/598576214.db2.gz XWGSFAUBAXGVOE-QGZVFWFLSA-N -1 3 393.407 2.691 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737115738 598648862 /nfs/dbraw/zinc/64/88/62/598648862.db2.gz OCYNCBWPPTZEFD-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737115738 598648864 /nfs/dbraw/zinc/64/88/64/598648864.db2.gz OCYNCBWPPTZEFD-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736296929 598735692 /nfs/dbraw/zinc/73/56/92/598735692.db2.gz KUGJVPWNKBHUSW-NSHDSACASA-N -1 3 396.432 2.845 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736296929 598735693 /nfs/dbraw/zinc/73/56/93/598735693.db2.gz KUGJVPWNKBHUSW-NSHDSACASA-N -1 3 396.432 2.845 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736817459 598754432 /nfs/dbraw/zinc/75/44/32/598754432.db2.gz AQVPERDELMKONZ-UHFFFAOYSA-N -1 3 390.407 2.728 20 5 GFBDHM CCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000736637357 599309790 /nfs/dbraw/zinc/30/97/90/599309790.db2.gz NWOKNBIABQJTOG-UHFFFAOYSA-N -1 3 382.380 2.840 20 5 GFBDHM CCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000736637357 599309793 /nfs/dbraw/zinc/30/97/93/599309793.db2.gz NWOKNBIABQJTOG-UHFFFAOYSA-N -1 3 382.380 2.840 20 5 GFBDHM C[C@H](SCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736187794 599329455 /nfs/dbraw/zinc/32/94/55/599329455.db2.gz BYXUZBYWYWASQL-JTQLQIEISA-N -1 3 384.421 2.868 20 5 GFBDHM C[C@H](SCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736187794 599329458 /nfs/dbraw/zinc/32/94/58/599329458.db2.gz BYXUZBYWYWASQL-JTQLQIEISA-N -1 3 384.421 2.868 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)CCO1 ZINC000736294351 599472143 /nfs/dbraw/zinc/47/21/43/599472143.db2.gz RGDDQULNYGRACD-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)CCO1 ZINC000736294351 599472145 /nfs/dbraw/zinc/47/21/45/599472145.db2.gz RGDDQULNYGRACD-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCO[C@H]21 ZINC000820584890 599571386 /nfs/dbraw/zinc/57/13/86/599571386.db2.gz KWGKQOGLGJWMDC-UHNFBRDESA-N -1 3 381.396 2.549 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCO[C@H]21 ZINC000820584890 599571388 /nfs/dbraw/zinc/57/13/88/599571388.db2.gz KWGKQOGLGJWMDC-UHNFBRDESA-N -1 3 381.396 2.549 20 5 GFBDHM Cc1nccn1CCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822479238 599579790 /nfs/dbraw/zinc/57/97/90/599579790.db2.gz YHPPMDOGJDLEHH-UHFFFAOYSA-N -1 3 393.411 2.720 20 5 GFBDHM CC(C)(C)OC(=O)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819927977 599688704 /nfs/dbraw/zinc/68/87/04/599688704.db2.gz DWYWFAHCALWBPK-UHFFFAOYSA-N -1 3 399.411 2.857 20 5 GFBDHM CC(C)(C)OC(=O)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819927977 599688705 /nfs/dbraw/zinc/68/87/05/599688705.db2.gz DWYWFAHCALWBPK-UHFFFAOYSA-N -1 3 399.411 2.857 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826409265 607424817 /nfs/dbraw/zinc/42/48/17/607424817.db2.gz PEOGFYFAJBQGBM-UHFFFAOYSA-N -1 3 378.392 2.513 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826409265 607424819 /nfs/dbraw/zinc/42/48/19/607424819.db2.gz PEOGFYFAJBQGBM-UHFFFAOYSA-N -1 3 378.392 2.513 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826427875 607447405 /nfs/dbraw/zinc/44/74/05/607447405.db2.gz FWJYXUGYNMFVTI-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826427875 607447406 /nfs/dbraw/zinc/44/74/06/607447406.db2.gz FWJYXUGYNMFVTI-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM Cn1cc(CNCc2cccc(OCC(=O)[O-])c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739034997 600640252 /nfs/dbraw/zinc/64/02/52/600640252.db2.gz RYEUXWRNXFYAOC-UHFFFAOYSA-N -1 3 396.403 2.749 20 5 GFBDHM O=C([O-])NC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000740612992 602572238 /nfs/dbraw/zinc/57/22/38/602572238.db2.gz KSWSOQCRTUYCQH-MRXNPFEDSA-N -1 3 379.413 2.767 20 5 GFBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000826499294 607670154 /nfs/dbraw/zinc/67/01/54/607670154.db2.gz CXDLIGVAKXIOBK-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM C[C@H](Oc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(=O)[O-] ZINC000833540877 604657552 /nfs/dbraw/zinc/65/75/52/604657552.db2.gz LNSQGDIRHGBFHI-ZFWWWQNUSA-N -1 3 386.408 2.528 20 5 GFBDHM C[C@@H]1CN(CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828449344 604775990 /nfs/dbraw/zinc/77/59/90/604775990.db2.gz KLDCXIWANLQWAG-TXEJJXNPSA-N -1 3 396.400 2.503 20 5 GFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000833417807 604947625 /nfs/dbraw/zinc/94/76/25/604947625.db2.gz YPSPHMYQEJHKTN-BBRMVZONSA-N -1 3 375.425 2.523 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000821122941 606280123 /nfs/dbraw/zinc/28/01/23/606280123.db2.gz CRBHGJVPGKRYDL-UHFFFAOYSA-N -1 3 396.411 2.891 20 5 GFBDHM C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820496627 606359476 /nfs/dbraw/zinc/35/94/76/606359476.db2.gz NIWUDDIKQFVGEM-GFCCVEGCSA-N -1 3 383.364 2.848 20 5 GFBDHM C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820496627 606359478 /nfs/dbraw/zinc/35/94/78/606359478.db2.gz NIWUDDIKQFVGEM-GFCCVEGCSA-N -1 3 383.364 2.848 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2c(F)cccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000823651172 606420783 /nfs/dbraw/zinc/42/07/83/606420783.db2.gz HSEYSHHVTFAMDJ-UHFFFAOYSA-N -1 3 381.274 2.523 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2c(F)cccc2OC(F)F)c(-c2nn[n-]n2)c1 ZINC000823651172 606420784 /nfs/dbraw/zinc/42/07/84/606420784.db2.gz HSEYSHHVTFAMDJ-UHFFFAOYSA-N -1 3 381.274 2.523 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822228845 606442490 /nfs/dbraw/zinc/44/24/90/606442490.db2.gz GXOMKZMWHNKUJC-LLVKDONJSA-N -1 3 399.386 2.783 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822228845 606442492 /nfs/dbraw/zinc/44/24/92/606442492.db2.gz GXOMKZMWHNKUJC-LLVKDONJSA-N -1 3 399.386 2.783 20 5 GFBDHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819987767 606545408 /nfs/dbraw/zinc/54/54/08/606545408.db2.gz KZDAZKYRMGYOOE-GHXNOFRVSA-N -1 3 378.392 2.840 20 5 GFBDHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819987767 606545410 /nfs/dbraw/zinc/54/54/10/606545410.db2.gz KZDAZKYRMGYOOE-GHXNOFRVSA-N -1 3 378.392 2.840 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000823422633 606558383 /nfs/dbraw/zinc/55/83/83/606558383.db2.gz ZBFWUFDWXXUCLF-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000823422633 606558384 /nfs/dbraw/zinc/55/83/84/606558384.db2.gz ZBFWUFDWXXUCLF-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000822505587 606615066 /nfs/dbraw/zinc/61/50/66/606615066.db2.gz NUQIVIMOKWMRAU-NSHDSACASA-N -1 3 376.380 2.951 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000822505587 606615067 /nfs/dbraw/zinc/61/50/67/606615067.db2.gz NUQIVIMOKWMRAU-NSHDSACASA-N -1 3 376.380 2.951 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821406210 606673617 /nfs/dbraw/zinc/67/36/17/606673617.db2.gz CRMOVJWPWIMITD-UHFFFAOYSA-N -1 3 382.380 2.745 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821406210 606673618 /nfs/dbraw/zinc/67/36/18/606673618.db2.gz CRMOVJWPWIMITD-UHFFFAOYSA-N -1 3 382.380 2.745 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822229203 606685891 /nfs/dbraw/zinc/68/58/91/606685891.db2.gz OWYIPCVCCMPCOV-VIFPVBQESA-N -1 3 388.334 2.853 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822229203 606685892 /nfs/dbraw/zinc/68/58/92/606685892.db2.gz OWYIPCVCCMPCOV-VIFPVBQESA-N -1 3 388.334 2.853 20 5 GFBDHM COCCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000821686803 606720976 /nfs/dbraw/zinc/72/09/76/606720976.db2.gz AHQFDBBBSLDAPP-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM COCCC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000821686803 606720977 /nfs/dbraw/zinc/72/09/77/606720977.db2.gz AHQFDBBBSLDAPP-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822271084 606785543 /nfs/dbraw/zinc/78/55/43/606785543.db2.gz LQULFSBHCSSUAV-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822271084 606785545 /nfs/dbraw/zinc/78/55/45/606785545.db2.gz LQULFSBHCSSUAV-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821936476 606789829 /nfs/dbraw/zinc/78/98/29/606789829.db2.gz AWYFSXRHOLANLP-UHFFFAOYSA-N -1 3 395.784 2.624 20 5 GFBDHM CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821936476 606789831 /nfs/dbraw/zinc/78/98/31/606789831.db2.gz AWYFSXRHOLANLP-UHFFFAOYSA-N -1 3 395.784 2.624 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203366 607003623 /nfs/dbraw/zinc/00/36/23/607003623.db2.gz QCEBKIPFQXGLJJ-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203366 607003626 /nfs/dbraw/zinc/00/36/26/607003626.db2.gz QCEBKIPFQXGLJJ-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1ccc(C)c(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000822232179 607038744 /nfs/dbraw/zinc/03/87/44/607038744.db2.gz VZFRMTIWZYDVLG-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1ccc(C)c(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000822232179 607038745 /nfs/dbraw/zinc/03/87/45/607038745.db2.gz VZFRMTIWZYDVLG-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1F ZINC000823634152 607165367 /nfs/dbraw/zinc/16/53/67/607165367.db2.gz BBMCSGARGKWUPB-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1F ZINC000823634152 607165368 /nfs/dbraw/zinc/16/53/68/607165368.db2.gz BBMCSGARGKWUPB-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000820001411 607238021 /nfs/dbraw/zinc/23/80/21/607238021.db2.gz LMEBRZGRJCOTNE-UHFFFAOYSA-N -1 3 386.343 2.710 20 5 GFBDHM CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999365 607846211 /nfs/dbraw/zinc/84/62/11/607846211.db2.gz YHKHUQLNKKLIAK-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826497929 607873647 /nfs/dbraw/zinc/87/36/47/607873647.db2.gz ZFGRUTSGDJTKKZ-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826497929 607873648 /nfs/dbraw/zinc/87/36/48/607873648.db2.gz ZFGRUTSGDJTKKZ-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(CCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000826499454 607968574 /nfs/dbraw/zinc/96/85/74/607968574.db2.gz JDUOKIVFKPMBHA-UHFFFAOYSA-N -1 3 397.345 2.678 20 5 GFBDHM O=[N+]([O-])c1cccc(CCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000826499454 607968575 /nfs/dbraw/zinc/96/85/75/607968575.db2.gz JDUOKIVFKPMBHA-UHFFFAOYSA-N -1 3 397.345 2.678 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2nnn[n-]2)cs1 ZINC000826467906 608029464 /nfs/dbraw/zinc/02/94/64/608029464.db2.gz QSWXAMVHJJQVSW-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000826467906 608029465 /nfs/dbraw/zinc/02/94/65/608029465.db2.gz QSWXAMVHJJQVSW-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nnn[n-]2)c1 ZINC000824516005 608106420 /nfs/dbraw/zinc/10/64/20/608106420.db2.gz VGBDFAFMDPRUMH-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nn[n-]n2)c1 ZINC000824516005 608106421 /nfs/dbraw/zinc/10/64/21/608106421.db2.gz VGBDFAFMDPRUMH-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM CN(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825875519 608160909 /nfs/dbraw/zinc/16/09/09/608160909.db2.gz RKJVATYMXNMEMT-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM CN(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825875519 608160910 /nfs/dbraw/zinc/16/09/10/608160910.db2.gz RKJVATYMXNMEMT-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470484 608482619 /nfs/dbraw/zinc/48/26/19/608482619.db2.gz RJCKBXGSJLSPPO-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470484 608482620 /nfs/dbraw/zinc/48/26/20/608482620.db2.gz RJCKBXGSJLSPPO-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500408 608851496 /nfs/dbraw/zinc/85/14/96/608851496.db2.gz XOHKZJIGDJRDKM-RRGNZLCHSA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500408 608851497 /nfs/dbraw/zinc/85/14/97/608851497.db2.gz XOHKZJIGDJRDKM-RRGNZLCHSA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC([C@@H]4CCOC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499262 609592136 /nfs/dbraw/zinc/59/21/36/609592136.db2.gz BRHFOEMPYCAWEN-CYBMUJFWSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC([C@@H]4CCOC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499262 609592138 /nfs/dbraw/zinc/59/21/38/609592138.db2.gz BRHFOEMPYCAWEN-CYBMUJFWSA-N -1 3 395.423 2.576 20 5 GFBDHM C[C@@H]1C[C@@H](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884632 609596102 /nfs/dbraw/zinc/59/61/02/609596102.db2.gz OTRAOCQWJCMQAI-NEPJUHHUSA-N -1 3 383.412 2.940 20 5 GFBDHM C[C@@H]1C[C@@H](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884632 609596104 /nfs/dbraw/zinc/59/61/04/609596104.db2.gz OTRAOCQWJCMQAI-NEPJUHHUSA-N -1 3 383.412 2.940 20 5 GFBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831200395 660703175 /nfs/dbraw/zinc/70/31/75/660703175.db2.gz CFULCQGQBVIWKJ-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000121909504 654725102 /nfs/dbraw/zinc/72/51/02/654725102.db2.gz DTLTYPXNXVSLFR-OAHLLOKOSA-N -1 3 388.829 2.644 20 5 GFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066579266 654907112 /nfs/dbraw/zinc/90/71/12/654907112.db2.gz INHNAVXWEFSQEN-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000473844463 655414738 /nfs/dbraw/zinc/41/47/38/655414738.db2.gz BOHUWFQGQYHNJP-GFCCVEGCSA-N -1 3 381.186 2.606 20 5 GFBDHM COCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000576173421 655445157 /nfs/dbraw/zinc/44/51/57/655445157.db2.gz PGMWABLBYBZWBI-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM CSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746667399 655765960 /nfs/dbraw/zinc/76/59/60/655765960.db2.gz AGNOIYNTAWEACW-MRVPVSSYSA-N -1 3 383.289 2.777 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(Cl)c1Cl ZINC000759169017 655949815 /nfs/dbraw/zinc/94/98/15/655949815.db2.gz WEZJBYKIBUZVTN-UHFFFAOYSA-N -1 3 393.208 2.611 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719545 657324152 /nfs/dbraw/zinc/32/41/52/657324152.db2.gz CBGSBJMMZARICT-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000800837923 659335928 /nfs/dbraw/zinc/33/59/28/659335928.db2.gz HPLPCBVFYANQAU-UHFFFAOYSA-N -1 3 376.316 2.622 20 5 GFBDHM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000800931047 659351992 /nfs/dbraw/zinc/35/19/92/659351992.db2.gz XLRODVSUZFCETK-UHFFFAOYSA-N -1 3 387.757 2.966 20 5 GFBDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811831492 660016258 /nfs/dbraw/zinc/01/62/58/660016258.db2.gz BVDRQQXCQDPXEM-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM COC1([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000841564356 661303141 /nfs/dbraw/zinc/30/31/41/661303141.db2.gz PXTTVDVEYWHNNY-VIFPVBQESA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 ZINC000919930654 664519864 /nfs/dbraw/zinc/51/98/64/664519864.db2.gz AVEZGMZEYPIJOB-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(Br)ccc1F ZINC000042160262 551138773 /nfs/dbraw/zinc/13/87/73/551138773.db2.gz ZUMSCSKORXUDHK-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121309257 551231928 /nfs/dbraw/zinc/23/19/28/551231928.db2.gz MOWIWXJLOSSGNR-XACMVJRISA-N -1 3 388.511 2.570 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1 ZINC000158887227 551558264 /nfs/dbraw/zinc/55/82/64/551558264.db2.gz UOUIYIXUOYFIDC-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000179064521 552183173 /nfs/dbraw/zinc/18/31/73/552183173.db2.gz YHHYDPGZGRQBAD-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186252362 552382798 /nfs/dbraw/zinc/38/27/98/552382798.db2.gz XNQRVMPWOXSJFA-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301443743 563403480 /nfs/dbraw/zinc/40/34/80/563403480.db2.gz OKLMFWRSPPCXLT-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM O=C(NCCCNc1c(Br)cncc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000301897607 563415364 /nfs/dbraw/zinc/41/53/64/563415364.db2.gz RINOOELQGSLRFI-UHFFFAOYSA-N -1 3 395.213 2.690 20 5 GFBDHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1[N+](=O)[O-] ZINC000302472759 563425358 /nfs/dbraw/zinc/42/53/58/563425358.db2.gz DIEHYJCESZIMBA-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000327369766 563457828 /nfs/dbraw/zinc/45/78/28/563457828.db2.gz LGAWGNAAVBHXHN-CYBMUJFWSA-N -1 3 392.861 2.893 20 5 GFBDHM COC(=O)CCCO[N-]C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000288918543 563661635 /nfs/dbraw/zinc/66/16/35/563661635.db2.gz ULDINAQVTXOXJD-UHFFFAOYSA-N -1 3 390.190 2.672 20 5 GFBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459464 563831467 /nfs/dbraw/zinc/83/14/67/563831467.db2.gz KOLBKDSNQOUDOM-GFCCVEGCSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000416456124 563831743 /nfs/dbraw/zinc/83/17/43/563831743.db2.gz LRYXIHHDQFMJNG-JOYOIKCWSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416634269 563856109 /nfs/dbraw/zinc/85/61/09/563856109.db2.gz YSLPRJLJTZUKJC-GXFFZTMASA-N -1 3 384.376 2.687 20 5 GFBDHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447019813 563872614 /nfs/dbraw/zinc/87/26/14/563872614.db2.gz YOYDTLFWVSOSJD-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c(C(F)(F)F)c1 ZINC000447014768 563872755 /nfs/dbraw/zinc/87/27/55/563872755.db2.gz CJRAQZSSXWJJRS-UHFFFAOYSA-N -1 3 379.291 2.626 20 5 GFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000541760826 564288023 /nfs/dbraw/zinc/28/80/23/564288023.db2.gz SVOCVVNOQUQQKM-CQSZACIVSA-N -1 3 388.804 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cs1 ZINC000509400039 564296880 /nfs/dbraw/zinc/29/68/80/564296880.db2.gz CCEDRRBGVGJQGT-UHFFFAOYSA-N -1 3 393.849 2.517 20 5 GFBDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683547 564339412 /nfs/dbraw/zinc/33/94/12/564339412.db2.gz UXJLLBMFUSLTDT-CABZTGNLSA-N -1 3 384.376 2.953 20 5 GFBDHM CC/C=C\C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000451781389 564350222 /nfs/dbraw/zinc/35/02/22/564350222.db2.gz XLFVWPVZDHBJQX-WAYWQWQTSA-N -1 3 393.259 2.919 20 5 GFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000511338470 564368460 /nfs/dbraw/zinc/36/84/60/564368460.db2.gz GIMZVIPTZUNPCL-UHFFFAOYSA-N -1 3 379.145 2.818 20 5 GFBDHM COc1ccsc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000480068770 564459680 /nfs/dbraw/zinc/45/96/80/564459680.db2.gz JPEYPCCOJMQFFY-UHFFFAOYSA-N -1 3 376.843 2.839 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000520031577 564595910 /nfs/dbraw/zinc/59/59/10/564595910.db2.gz ZSVBGMGIFUGDSP-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000552120130 564678643 /nfs/dbraw/zinc/67/86/43/564678643.db2.gz UVVHBVDOJVXHLW-UHFFFAOYSA-N -1 3 380.813 2.576 20 5 GFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c1 ZINC000489685784 564748115 /nfs/dbraw/zinc/74/81/15/564748115.db2.gz MLAHWOLNXJIAFY-UHFFFAOYSA-N -1 3 385.829 2.647 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000490003126 564759681 /nfs/dbraw/zinc/75/96/81/564759681.db2.gz UEONFROBIKWTSS-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000490497789 564773953 /nfs/dbraw/zinc/77/39/53/564773953.db2.gz AYLBMXUHHIFDFS-ZBEGNZNMSA-N -1 3 382.463 2.946 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H]1OCCc2sccc21 ZINC000490558029 564776808 /nfs/dbraw/zinc/77/68/08/564776808.db2.gz RNHBQTGEFLXZSY-IAQYHMDHSA-N -1 3 382.463 2.946 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000493798368 564810624 /nfs/dbraw/zinc/81/06/24/564810624.db2.gz SMELKTDAHLUCAF-LBPRGKRZSA-N -1 3 380.463 2.799 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC2(C)CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493874403 564811819 /nfs/dbraw/zinc/81/18/19/564811819.db2.gz OGYXBICYYXMSOW-UHFFFAOYSA-N -1 3 393.259 2.753 20 5 GFBDHM CCCCN(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462143519 564823095 /nfs/dbraw/zinc/82/30/95/564823095.db2.gz WQERUBDOJQZCCR-UHFFFAOYSA-N -1 3 384.285 2.912 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)s1 ZINC000462386535 564836510 /nfs/dbraw/zinc/83/65/10/564836510.db2.gz FBDYVHCFVBUXHH-UHFFFAOYSA-N -1 3 393.393 2.778 20 5 GFBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc2ncc(Br)cn2n1 ZINC000464714114 564916581 /nfs/dbraw/zinc/91/65/81/564916581.db2.gz RGRQFQZFTFWEIS-UHFFFAOYSA-N -1 3 391.185 2.610 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000466898717 564950072 /nfs/dbraw/zinc/95/00/72/564950072.db2.gz AOSRWVHNFZGITD-LBPRGKRZSA-N -1 3 395.275 2.697 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048603 564954381 /nfs/dbraw/zinc/95/43/81/564954381.db2.gz UIXXTPLAXVXPPE-CJNGLKHVSA-N -1 3 381.479 2.688 20 5 GFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000533918399 564975894 /nfs/dbraw/zinc/97/58/94/564975894.db2.gz XEPNPYNNFLXYQT-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1c([O-])cccc1Cl ZINC000560822225 564976780 /nfs/dbraw/zinc/97/67/80/564976780.db2.gz FRIFORHYVSQKKP-UHFFFAOYSA-N -1 3 384.175 2.976 20 5 GFBDHM O=c1[n-]c(Cn2cc(Br)c([N+](=O)[O-])n2)nc2c3ccccc3oc21 ZINC000502842959 565006935 /nfs/dbraw/zinc/00/69/35/565006935.db2.gz OKGJGVOUEXEFIU-UHFFFAOYSA-N -1 3 390.153 2.997 20 5 GFBDHM CN(C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000469487803 565018502 /nfs/dbraw/zinc/01/85/02/565018502.db2.gz LLAUCZJBYUTIPU-UHFFFAOYSA-N -1 3 395.213 2.772 20 5 GFBDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000537017956 565051399 /nfs/dbraw/zinc/05/13/99/565051399.db2.gz ZWPMLTCWUHLROD-BXKDBHETSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594485574 565394327 /nfs/dbraw/zinc/39/43/27/565394327.db2.gz ABACQBLBGWFDII-MFKMUULPSA-N -1 3 382.360 2.682 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095170 598830259 /nfs/dbraw/zinc/83/02/59/598830259.db2.gz CGHSMQFNTRYWGX-GFCCVEGCSA-N -1 3 380.408 2.930 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095170 598830260 /nfs/dbraw/zinc/83/02/60/598830260.db2.gz CGHSMQFNTRYWGX-GFCCVEGCSA-N -1 3 380.408 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369824 598972341 /nfs/dbraw/zinc/97/23/41/598972341.db2.gz PMLBGLMWVKZESS-PRHODGIISA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738369824 598972343 /nfs/dbraw/zinc/97/23/43/598972343.db2.gz PMLBGLMWVKZESS-PRHODGIISA-N -1 3 375.751 2.930 20 5 GFBDHM CN(C)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757412 599058140 /nfs/dbraw/zinc/05/81/40/599058140.db2.gz AFQZLLBTZWTOKW-OAHLLOKOSA-N -1 3 389.366 2.768 20 5 GFBDHM CN(C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757412 599058143 /nfs/dbraw/zinc/05/81/43/599058143.db2.gz AFQZLLBTZWTOKW-OAHLLOKOSA-N -1 3 389.366 2.768 20 5 GFBDHM CCO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821347167 599071798 /nfs/dbraw/zinc/07/17/98/599071798.db2.gz SGMPWXSBMQFTLO-SNVBAGLBSA-N -1 3 389.441 2.965 20 5 GFBDHM CCO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821347167 599071801 /nfs/dbraw/zinc/07/18/01/599071801.db2.gz SGMPWXSBMQFTLO-SNVBAGLBSA-N -1 3 389.441 2.965 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)c(-c2nnn[n-]2)c1 ZINC000823639643 599106370 /nfs/dbraw/zinc/10/63/70/599106370.db2.gz FDGQBVDOJDYGRX-UHFFFAOYSA-N -1 3 385.331 2.905 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)c(-c2nn[n-]n2)c1 ZINC000823639643 599106373 /nfs/dbraw/zinc/10/63/73/599106373.db2.gz FDGQBVDOJDYGRX-UHFFFAOYSA-N -1 3 385.331 2.905 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000823629790 599109727 /nfs/dbraw/zinc/10/97/27/599109727.db2.gz HDEJFSZOYKMKQZ-YJBOKZPZSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000823629790 599109730 /nfs/dbraw/zinc/10/97/30/599109730.db2.gz HDEJFSZOYKMKQZ-YJBOKZPZSA-N -1 3 380.408 2.867 20 5 GFBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823241825 599175329 /nfs/dbraw/zinc/17/53/29/599175329.db2.gz HACANVKBNFOWLL-UHFFFAOYSA-N -1 3 382.311 2.590 20 5 GFBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823241825 599175331 /nfs/dbraw/zinc/17/53/31/599175331.db2.gz HACANVKBNFOWLL-UHFFFAOYSA-N -1 3 382.311 2.590 20 5 GFBDHM Cc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822345146 599186734 /nfs/dbraw/zinc/18/67/34/599186734.db2.gz GEUZUEIIDYGTLV-UHFFFAOYSA-N -1 3 382.365 2.680 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000737063281 598368004 /nfs/dbraw/zinc/36/80/04/598368004.db2.gz UJEULTYLGHLXLA-UHFFFAOYSA-N -1 3 379.336 2.517 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000737063281 598368006 /nfs/dbraw/zinc/36/80/06/598368006.db2.gz UJEULTYLGHLXLA-UHFFFAOYSA-N -1 3 379.336 2.517 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000735874124 598417974 /nfs/dbraw/zinc/41/79/74/598417974.db2.gz MTAGYBWIPKKROA-UHFFFAOYSA-N -1 3 384.371 2.965 20 5 GFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000735874124 598417975 /nfs/dbraw/zinc/41/79/75/598417975.db2.gz MTAGYBWIPKKROA-UHFFFAOYSA-N -1 3 384.371 2.965 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738370395 598468049 /nfs/dbraw/zinc/46/80/49/598468049.db2.gz PPORFBFMIKKTFC-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738370395 598468051 /nfs/dbraw/zinc/46/80/51/598468051.db2.gz PPORFBFMIKKTFC-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2nnn[n-]2)c1 ZINC000738370193 598498757 /nfs/dbraw/zinc/49/87/57/598498757.db2.gz RKFZNNWYKDOZEO-NSHDSACASA-N -1 3 392.379 2.695 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2nn[n-]n2)c1 ZINC000738370193 598498759 /nfs/dbraw/zinc/49/87/59/598498759.db2.gz RKFZNNWYKDOZEO-NSHDSACASA-N -1 3 392.379 2.695 20 5 GFBDHM Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2cc(Cl)ccc21 ZINC000737590741 598499314 /nfs/dbraw/zinc/49/93/14/598499314.db2.gz DBMOWYYXOBZYSA-UHFFFAOYSA-N -1 3 388.800 2.861 20 5 GFBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737920238 598558803 /nfs/dbraw/zinc/55/88/03/598558803.db2.gz SRPRVYLJESJMQI-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737920238 598558805 /nfs/dbraw/zinc/55/88/05/598558805.db2.gz SRPRVYLJESJMQI-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738246703 598569357 /nfs/dbraw/zinc/56/93/57/598569357.db2.gz IBAYMPRNXFSGKU-UHFFFAOYSA-N -1 3 382.355 2.719 20 5 GFBDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738246703 598569358 /nfs/dbraw/zinc/56/93/58/598569358.db2.gz IBAYMPRNXFSGKU-UHFFFAOYSA-N -1 3 382.355 2.719 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCOc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000738374655 598674539 /nfs/dbraw/zinc/67/45/39/598674539.db2.gz RRCICUXEBVVVFU-UHFFFAOYSA-N -1 3 392.379 2.599 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCOc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000738374655 598674541 /nfs/dbraw/zinc/67/45/41/598674541.db2.gz RRCICUXEBVVVFU-UHFFFAOYSA-N -1 3 392.379 2.599 20 5 GFBDHM O=C(CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000737841557 598682820 /nfs/dbraw/zinc/68/28/20/598682820.db2.gz MFGUTXJVIMGTHX-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM O=C(CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000737841557 598682821 /nfs/dbraw/zinc/68/28/21/598682821.db2.gz MFGUTXJVIMGTHX-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736822347 598754689 /nfs/dbraw/zinc/75/46/89/598754689.db2.gz MBUGLAQEOILAMD-UHFFFAOYSA-N -1 3 390.407 2.728 20 5 GFBDHM CCCN(C[C@@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736470530 598814102 /nfs/dbraw/zinc/81/41/02/598814102.db2.gz KGWXHXGMJPFNEA-CQSZACIVSA-N -1 3 396.407 2.831 20 5 GFBDHM CCCN(C[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736470530 598814103 /nfs/dbraw/zinc/81/41/03/598814103.db2.gz KGWXHXGMJPFNEA-CQSZACIVSA-N -1 3 396.407 2.831 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738230565 599500277 /nfs/dbraw/zinc/50/02/77/599500277.db2.gz GYWZMRKKBGVPQP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738230565 599500279 /nfs/dbraw/zinc/50/02/79/599500279.db2.gz GYWZMRKKBGVPQP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1ncc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467175 607383857 /nfs/dbraw/zinc/38/38/57/607383857.db2.gz JSKFAPNLINJSHB-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM Cc1ncc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467175 607383859 /nfs/dbraw/zinc/38/38/59/607383859.db2.gz JSKFAPNLINJSHB-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000826253813 607407084 /nfs/dbraw/zinc/40/70/84/607407084.db2.gz FXKABCGWEHPGJC-UHFFFAOYSA-N -1 3 392.375 2.781 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000826253813 607407086 /nfs/dbraw/zinc/40/70/86/607407086.db2.gz FXKABCGWEHPGJC-UHFFFAOYSA-N -1 3 392.375 2.781 20 5 GFBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045023 601656508 /nfs/dbraw/zinc/65/65/08/601656508.db2.gz OQEQUTMKZIHBFY-ORAYPTAESA-N -1 3 383.404 2.536 20 5 GFBDHM COCc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826164593 607522726 /nfs/dbraw/zinc/52/27/26/607522726.db2.gz IBMRIFIYFVLLBX-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM COCc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826164593 607522727 /nfs/dbraw/zinc/52/27/27/607522727.db2.gz IBMRIFIYFVLLBX-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM O=[N+]([O-])c1cc(N2CC[C@@H](COCc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000826498014 607567795 /nfs/dbraw/zinc/56/77/95/607567795.db2.gz DANKWFXDWXIHCI-OAHLLOKOSA-N -1 3 380.408 2.818 20 5 GFBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823410189 606151252 /nfs/dbraw/zinc/15/12/52/606151252.db2.gz QQDSULMBIHPKKJ-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623063 606242382 /nfs/dbraw/zinc/24/23/82/606242382.db2.gz DGXGCEUIYNJSBT-YJBOKZPZSA-N -1 3 383.412 2.676 20 5 GFBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623063 606242383 /nfs/dbraw/zinc/24/23/83/606242383.db2.gz DGXGCEUIYNJSBT-YJBOKZPZSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1-c1nnn[n-]1 ZINC000823635030 606646004 /nfs/dbraw/zinc/64/60/04/606646004.db2.gz PXFXSJNEIXQZSF-LBPRGKRZSA-N -1 3 383.387 2.852 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823629641 606877005 /nfs/dbraw/zinc/87/70/05/606877005.db2.gz CWEFGWGMIPGJFG-LLVKDONJSA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823629641 606877007 /nfs/dbraw/zinc/87/70/07/606877007.db2.gz CWEFGWGMIPGJFG-LLVKDONJSA-N -1 3 386.803 2.514 20 5 GFBDHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822242766 606978038 /nfs/dbraw/zinc/97/80/38/606978038.db2.gz XEDNHJNQSMCSTD-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822242766 606978040 /nfs/dbraw/zinc/97/80/40/606978040.db2.gz XEDNHJNQSMCSTD-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823634456 607129715 /nfs/dbraw/zinc/12/97/15/607129715.db2.gz GAVADSZGTJSHOV-UHFFFAOYSA-N -1 3 381.121 2.864 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823634456 607129717 /nfs/dbraw/zinc/12/97/17/607129717.db2.gz GAVADSZGTJSHOV-UHFFFAOYSA-N -1 3 381.121 2.864 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000823634777 607172011 /nfs/dbraw/zinc/17/20/11/607172011.db2.gz LWCMHKFFFANZSU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000823634777 607172012 /nfs/dbraw/zinc/17/20/12/607172012.db2.gz LWCMHKFFFANZSU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824747201 607833135 /nfs/dbraw/zinc/83/31/35/607833135.db2.gz ZEWATQSWOYRAGX-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824747201 607833136 /nfs/dbraw/zinc/83/31/36/607833136.db2.gz ZEWATQSWOYRAGX-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM CC(C)c1ccccc1OC[C@@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000824352567 607876120 /nfs/dbraw/zinc/87/61/20/607876120.db2.gz IZLSUEXOQSUTIM-CYBMUJFWSA-N -1 3 399.407 2.717 20 5 GFBDHM CC(C)c1ccccc1OC[C@@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000824352567 607876121 /nfs/dbraw/zinc/87/61/21/607876121.db2.gz IZLSUEXOQSUTIM-CYBMUJFWSA-N -1 3 399.407 2.717 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824770440 608069533 /nfs/dbraw/zinc/06/95/33/608069533.db2.gz KMSOZZCDCCGXMA-ACJLOTCBSA-N -1 3 380.408 2.909 20 5 GFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770440 608069534 /nfs/dbraw/zinc/06/95/34/608069534.db2.gz KMSOZZCDCCGXMA-ACJLOTCBSA-N -1 3 380.408 2.909 20 5 GFBDHM Cc1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266668 608153819 /nfs/dbraw/zinc/15/38/19/608153819.db2.gz XHUFBSSQXYAQFE-KRWDZBQOSA-N -1 3 384.371 2.800 20 5 GFBDHM Cc1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266668 608153820 /nfs/dbraw/zinc/15/38/20/608153820.db2.gz XHUFBSSQXYAQFE-KRWDZBQOSA-N -1 3 384.371 2.800 20 5 GFBDHM O=C(CCOc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826408165 608161656 /nfs/dbraw/zinc/16/16/56/608161656.db2.gz SGJBOZFFNWRHHE-UHFFFAOYSA-N -1 3 388.771 2.836 20 5 GFBDHM O=C(CCOc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826408165 608161658 /nfs/dbraw/zinc/16/16/58/608161658.db2.gz SGJBOZFFNWRHHE-UHFFFAOYSA-N -1 3 388.771 2.836 20 5 GFBDHM Cn1cnc2cc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)ccc21 ZINC000826364846 608161723 /nfs/dbraw/zinc/16/17/23/608161723.db2.gz NWWOJRMPADXKAH-UHFFFAOYSA-N -1 3 398.770 2.567 20 5 GFBDHM Cn1cnc2cc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)ccc21 ZINC000826364846 608161724 /nfs/dbraw/zinc/16/17/24/608161724.db2.gz NWWOJRMPADXKAH-UHFFFAOYSA-N -1 3 398.770 2.567 20 5 GFBDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826177314 608185232 /nfs/dbraw/zinc/18/52/32/608185232.db2.gz CLQNBEHIXNXZQN-SNVBAGLBSA-N -1 3 399.363 2.710 20 5 GFBDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826177314 608185233 /nfs/dbraw/zinc/18/52/33/608185233.db2.gz CLQNBEHIXNXZQN-SNVBAGLBSA-N -1 3 399.363 2.710 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824632790 608461522 /nfs/dbraw/zinc/46/15/22/608461522.db2.gz FCMUBGMUOOITSO-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824632790 608461526 /nfs/dbraw/zinc/46/15/26/608461526.db2.gz FCMUBGMUOOITSO-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1oc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826283723 608553979 /nfs/dbraw/zinc/55/39/79/608553979.db2.gz YRQVXHYBLTUCSF-LLVKDONJSA-N -1 3 399.411 2.582 20 5 GFBDHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000824632476 608563977 /nfs/dbraw/zinc/56/39/77/608563977.db2.gz AEHKVBJUHWKXPB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000824632476 608563980 /nfs/dbraw/zinc/56/39/80/608563980.db2.gz AEHKVBJUHWKXPB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269221 609243159 /nfs/dbraw/zinc/24/31/59/609243159.db2.gz FISIRFBLOMMXFW-QGZVFWFLSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(N2CCCC2)n1 ZINC000826288712 609313399 /nfs/dbraw/zinc/31/33/99/609313399.db2.gz SWJWQUARUDHUFS-UHFFFAOYSA-N -1 3 380.412 2.691 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(N2CCCC2)n1 ZINC000826288712 609313401 /nfs/dbraw/zinc/31/34/01/609313401.db2.gz SWJWQUARUDHUFS-UHFFFAOYSA-N -1 3 380.412 2.691 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826497774 609318104 /nfs/dbraw/zinc/31/81/04/609318104.db2.gz UFDVFYPFXBDSEA-UHFFFAOYSA-N -1 3 388.391 2.523 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826497774 609318105 /nfs/dbraw/zinc/31/81/05/609318105.db2.gz UFDVFYPFXBDSEA-UHFFFAOYSA-N -1 3 388.391 2.523 20 5 GFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826460983 609372625 /nfs/dbraw/zinc/37/26/25/609372625.db2.gz AGXWRYAPORQQMA-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826460983 609372627 /nfs/dbraw/zinc/37/26/27/609372627.db2.gz AGXWRYAPORQQMA-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184057 609397034 /nfs/dbraw/zinc/39/70/34/609397034.db2.gz QPMXCNVCTINICH-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184057 609397036 /nfs/dbraw/zinc/39/70/36/609397036.db2.gz QPMXCNVCTINICH-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000826254166 609510294 /nfs/dbraw/zinc/51/02/94/609510294.db2.gz YDDIKCGLLIQGPI-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000826254166 609510296 /nfs/dbraw/zinc/51/02/96/609510296.db2.gz YDDIKCGLLIQGPI-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826212475 609538849 /nfs/dbraw/zinc/53/88/49/609538849.db2.gz RLUHIFVWHVGFQP-UHFFFAOYSA-N -1 3 375.776 2.752 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826212475 609538851 /nfs/dbraw/zinc/53/88/51/609538851.db2.gz RLUHIFVWHVGFQP-UHFFFAOYSA-N -1 3 375.776 2.752 20 5 GFBDHM Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000125553356 654797757 /nfs/dbraw/zinc/79/77/57/654797757.db2.gz YLXSIAYTPCCAFX-UHFFFAOYSA-N -1 3 376.316 2.622 20 5 GFBDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000574242267 655427033 /nfs/dbraw/zinc/42/70/33/655427033.db2.gz BSBAPDHCSLQLRI-CYBMUJFWSA-N -1 3 382.825 2.839 20 5 GFBDHM CC1(O)CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000841502938 661276116 /nfs/dbraw/zinc/27/61/16/661276116.db2.gz NDDMKSFLPGCMKM-UHFFFAOYSA-N -1 3 382.360 2.586 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1[N+](=O)[O-] ZINC000811832695 660016405 /nfs/dbraw/zinc/01/64/05/660016405.db2.gz WIZMOAUOVGBRIZ-UHFFFAOYSA-N -1 3 387.757 2.966 20 5 GFBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814989537 660100340 /nfs/dbraw/zinc/10/03/40/660100340.db2.gz OJIYBXIDNFFYLS-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM CCCCN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815002576 660100538 /nfs/dbraw/zinc/10/05/38/660100538.db2.gz HKSUKCRSEABWIU-UHFFFAOYSA-N -1 3 393.868 2.930 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)c([N+](=O)[O-])s1 ZINC000867028636 662517870 /nfs/dbraw/zinc/51/78/70/662517870.db2.gz VZEMRPRPNIAYMI-WCABBAIRSA-N -1 3 380.538 2.623 20 5 GFBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000920045114 664521191 /nfs/dbraw/zinc/52/11/91/664521191.db2.gz RDAQIRJLAPSWIE-CYBMUJFWSA-N -1 3 375.516 2.691 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000921571841 664553863 /nfs/dbraw/zinc/55/38/63/664553863.db2.gz DDHVXYCTLYYXOH-WCBMZHEXSA-N -1 3 388.389 2.743 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000024485875 551118586 /nfs/dbraw/zinc/11/85/86/551118586.db2.gz OSXISEGLCTULAP-LBPRGKRZSA-N -1 3 384.435 2.547 20 5 GFBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000120959990 551223905 /nfs/dbraw/zinc/22/39/05/551223905.db2.gz CDAIEZNNTRCLMK-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000130926788 551370624 /nfs/dbraw/zinc/37/06/24/551370624.db2.gz DNBKEJRILATLCK-GFCCVEGCSA-N -1 3 375.878 2.647 20 5 GFBDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000156531708 551524405 /nfs/dbraw/zinc/52/44/05/551524405.db2.gz MUCJEGXGRRIGGG-OAHLLOKOSA-N -1 3 384.841 2.823 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])c1 ZINC000160998915 551588635 /nfs/dbraw/zinc/58/86/35/551588635.db2.gz FMOKHPXPUHGYPO-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000162907516 551614118 /nfs/dbraw/zinc/61/41/18/551614118.db2.gz SLPDQGOAYTUAJN-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176724064 552145060 /nfs/dbraw/zinc/14/50/60/552145060.db2.gz MOSFSHHFXONQBA-UHFFFAOYSA-N -1 3 386.861 2.820 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000180761462 552234980 /nfs/dbraw/zinc/23/49/80/552234980.db2.gz YINKUGVHJWEWEQ-LLVKDONJSA-N -1 3 382.360 2.851 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000187449530 552416175 /nfs/dbraw/zinc/41/61/75/552416175.db2.gz HZJVIWKJHWWOPT-UHFFFAOYSA-N -1 3 389.430 2.801 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000187754777 552423053 /nfs/dbraw/zinc/42/30/53/552423053.db2.gz UKDSCQUCOFZNOL-MRVPVSSYSA-N -1 3 389.430 2.589 20 5 GFBDHM Cc1ccc(I)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445218521 563845506 /nfs/dbraw/zinc/84/55/06/563845506.db2.gz WATNZBPDHYZVGK-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725022 563279338 /nfs/dbraw/zinc/27/93/38/563279338.db2.gz LLYBNDSQEXOZIO-CMPLNLGQSA-N -1 3 393.259 2.593 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000420741215 563281817 /nfs/dbraw/zinc/28/18/17/563281817.db2.gz SPLARAWOFLJZSY-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c1 ZINC000375104454 563390396 /nfs/dbraw/zinc/39/03/96/563390396.db2.gz HAZRVRUSMUPLMI-UHFFFAOYSA-N -1 3 384.845 2.568 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1nc2ccccc2s1 ZINC000301323370 563400049 /nfs/dbraw/zinc/40/00/49/563400049.db2.gz VUHVVOFDLYUSAE-UHFFFAOYSA-N -1 3 378.435 2.595 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430089232 563532638 /nfs/dbraw/zinc/53/26/38/563532638.db2.gz JBAXVIUHTLMMAJ-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085112 563735930 /nfs/dbraw/zinc/73/59/30/563735930.db2.gz ZIGZBAQYCZGUOA-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000365010238 563771240 /nfs/dbraw/zinc/77/12/40/563771240.db2.gz HBAJQFFSXHXMAE-LBPRGKRZSA-N -1 3 383.451 2.724 20 5 GFBDHM COC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000416540341 563845949 /nfs/dbraw/zinc/84/59/49/563845949.db2.gz GZZZAIWIJOTPCB-UHFFFAOYSA-N -1 3 393.259 2.593 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1nc2c(s1)CCC2 ZINC000416540810 563845974 /nfs/dbraw/zinc/84/59/74/563845974.db2.gz VJWNPCCLNXHRRI-VIFPVBQESA-N -1 3 383.451 2.588 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593908 563851333 /nfs/dbraw/zinc/85/13/33/563851333.db2.gz PNASSULBIKWRDX-JGVFFNPUSA-N -1 3 381.273 2.530 20 5 GFBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416623614 563854584 /nfs/dbraw/zinc/85/45/84/563854584.db2.gz YGROCIXFVQBXAW-SECBINFHSA-N -1 3 382.360 2.850 20 5 GFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447017630 563872511 /nfs/dbraw/zinc/87/25/11/563872511.db2.gz PRABLVMEZSUUJC-JTQLQIEISA-N -1 3 395.275 2.841 20 5 GFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000509424280 564298824 /nfs/dbraw/zinc/29/88/24/564298824.db2.gz PTIKCHMDYVJASN-ZDUSSCGKSA-N -1 3 395.213 2.915 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451655589 564335915 /nfs/dbraw/zinc/33/59/15/564335915.db2.gz RGLIIFVVCNNLHW-VIFPVBQESA-N -1 3 390.767 2.884 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000543619587 564356532 /nfs/dbraw/zinc/35/65/32/564356532.db2.gz FRRXPXBNCAWOPL-SNVBAGLBSA-N -1 3 394.833 2.769 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905021 564364915 /nfs/dbraw/zinc/36/49/15/564364915.db2.gz SPGANALDSHVASX-OCCSQVGLSA-N -1 3 383.451 2.558 20 5 GFBDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479229376 564432091 /nfs/dbraw/zinc/43/20/91/564432091.db2.gz YWSMSILQBRLUJK-SECBINFHSA-N -1 3 378.834 2.647 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000480896152 564494869 /nfs/dbraw/zinc/49/48/69/564494869.db2.gz JGBCVGXMUNZHOA-ZBEGNZNMSA-N -1 3 383.495 2.934 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000480902256 564494997 /nfs/dbraw/zinc/49/49/97/564494997.db2.gz UKNHDKCNRACEHC-HNNXBMFYSA-N -1 3 376.862 2.858 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000572693640 564605618 /nfs/dbraw/zinc/60/56/18/564605618.db2.gz BNVVOEGVDQKAFT-LLVKDONJSA-N -1 3 378.834 2.647 20 5 GFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000486596671 564658246 /nfs/dbraw/zinc/65/82/46/564658246.db2.gz BXKMWVJKSKWXGB-IUCAKERBSA-N -1 3 387.849 2.919 20 5 GFBDHM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000555290294 564789066 /nfs/dbraw/zinc/78/90/66/564789066.db2.gz TYWOJZAVVPORNK-UHFFFAOYSA-N -1 3 383.451 2.792 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474754 564807804 /nfs/dbraw/zinc/80/78/04/564807804.db2.gz VCAIOKMEGAZOKT-CBAPKCEASA-N -1 3 393.259 2.609 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@@H]12 ZINC000462523661 564845600 /nfs/dbraw/zinc/84/56/00/564845600.db2.gz FJVPYWAXWPEOKC-NEPJUHHUSA-N -1 3 394.280 2.807 20 5 GFBDHM Cn1cc(Br)c(=O)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000499418266 564927255 /nfs/dbraw/zinc/92/72/55/564927255.db2.gz XBYNFZNXZBQQNF-UHFFFAOYSA-N -1 3 386.589 2.962 20 5 GFBDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467087529 564955731 /nfs/dbraw/zinc/95/57/31/564955731.db2.gz ZFHOPPFANIJYDW-SNVBAGLBSA-N -1 3 386.451 2.719 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143361 565005448 /nfs/dbraw/zinc/00/54/48/565005448.db2.gz RTTDXHIBECYTKW-OIRASMEMSA-N -1 3 382.463 2.680 20 5 GFBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000536607729 565042879 /nfs/dbraw/zinc/04/28/79/565042879.db2.gz JCWLBVNHZOSHCR-IUCAKERBSA-N -1 3 393.259 2.592 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590590359 565192650 /nfs/dbraw/zinc/19/26/50/565192650.db2.gz UYCQBHZEXNKDNV-CYBMUJFWSA-N -1 3 387.458 2.685 20 5 GFBDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595394017 565472895 /nfs/dbraw/zinc/47/28/95/565472895.db2.gz ZWLYGFOQSSLOFI-SECBINFHSA-N -1 3 382.360 2.707 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599262296 565665467 /nfs/dbraw/zinc/66/54/67/565665467.db2.gz BWSUJPZPUMHKJO-UHFFFAOYSA-N -1 3 381.841 2.973 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2CO1 ZINC000599379623 565674544 /nfs/dbraw/zinc/67/45/44/565674544.db2.gz JPFOEGGBNTUCEJ-AWEZNQCLSA-N -1 3 382.825 2.668 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000604035768 565921547 /nfs/dbraw/zinc/92/15/47/565921547.db2.gz TWYDJKQIQMJHKL-UHFFFAOYSA-N -1 3 376.843 2.839 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000611469330 566130963 /nfs/dbraw/zinc/13/09/63/566130963.db2.gz JXMBSARDVYXTFO-RNCFNFMXSA-N -1 3 393.259 2.593 20 5 GFBDHM CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736758340 599058676 /nfs/dbraw/zinc/05/86/76/599058676.db2.gz GGSZSYWEKQSUJV-OAHLLOKOSA-N -1 3 389.366 2.768 20 5 GFBDHM CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736758340 599058677 /nfs/dbraw/zinc/05/86/77/599058677.db2.gz GGSZSYWEKQSUJV-OAHLLOKOSA-N -1 3 389.366 2.768 20 5 GFBDHM CN(Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821617960 599077487 /nfs/dbraw/zinc/07/74/87/599077487.db2.gz JVVXFKGZAFZXNC-UHFFFAOYSA-N -1 3 390.407 2.656 20 5 GFBDHM CN(Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821617960 599077490 /nfs/dbraw/zinc/07/74/90/599077490.db2.gz JVVXFKGZAFZXNC-UHFFFAOYSA-N -1 3 390.407 2.656 20 5 GFBDHM Cn1ccnc1C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000822698935 599091203 /nfs/dbraw/zinc/09/12/03/599091203.db2.gz IXXQOTSDPQABNB-INIZCTEOSA-N -1 3 390.407 2.904 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737373263 599173809 /nfs/dbraw/zinc/17/38/09/599173809.db2.gz RQAORIFWUMXZPP-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737373263 599173812 /nfs/dbraw/zinc/17/38/12/599173812.db2.gz RQAORIFWUMXZPP-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000737370035 599180458 /nfs/dbraw/zinc/18/04/58/599180458.db2.gz ZNTMQYBFPUIHML-UHFFFAOYSA-N -1 3 398.448 2.747 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000737370035 599180460 /nfs/dbraw/zinc/18/04/60/599180460.db2.gz ZNTMQYBFPUIHML-UHFFFAOYSA-N -1 3 398.448 2.747 20 5 GFBDHM COC(=O)N(C)Cc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736932569 599231190 /nfs/dbraw/zinc/23/11/90/599231190.db2.gz OOHACRLMQHSLAT-UHFFFAOYSA-N -1 3 383.368 2.717 20 5 GFBDHM COC(=O)N(C)Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736932569 599231193 /nfs/dbraw/zinc/23/11/93/599231193.db2.gz OOHACRLMQHSLAT-UHFFFAOYSA-N -1 3 383.368 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000738368189 598244623 /nfs/dbraw/zinc/24/46/23/598244623.db2.gz AKXLNQOBAWVJNA-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000738368189 598244625 /nfs/dbraw/zinc/24/46/25/598244625.db2.gz AKXLNQOBAWVJNA-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738115247 598480607 /nfs/dbraw/zinc/48/06/07/598480607.db2.gz AJLUIQFYUDSSOC-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738115247 598480609 /nfs/dbraw/zinc/48/06/09/598480609.db2.gz AJLUIQFYUDSSOC-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738235119 598584350 /nfs/dbraw/zinc/58/43/50/598584350.db2.gz NQOVYERBIZQNKS-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738235119 598584352 /nfs/dbraw/zinc/58/43/52/598584352.db2.gz NQOVYERBIZQNKS-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000738358214 598637201 /nfs/dbraw/zinc/63/72/01/598637201.db2.gz BQKGDAWKNYYOGO-UHFFFAOYSA-N -1 3 397.319 2.564 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000738358214 598637203 /nfs/dbraw/zinc/63/72/03/598637203.db2.gz BQKGDAWKNYYOGO-UHFFFAOYSA-N -1 3 397.319 2.564 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1SC ZINC000737052722 598647207 /nfs/dbraw/zinc/64/72/07/598647207.db2.gz WCJGBPAWFXCSRW-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1SC ZINC000737052722 598647208 /nfs/dbraw/zinc/64/72/08/598647208.db2.gz WCJGBPAWFXCSRW-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737115690 598802151 /nfs/dbraw/zinc/80/21/51/598802151.db2.gz NNNLXTZNJJLWMP-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737115690 598802152 /nfs/dbraw/zinc/80/21/52/598802152.db2.gz NNNLXTZNJJLWMP-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000821818229 599488152 /nfs/dbraw/zinc/48/81/52/599488152.db2.gz LSSFJUPDQCJGGK-UHFFFAOYSA-N -1 3 391.391 2.674 20 5 GFBDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000821818229 599488154 /nfs/dbraw/zinc/48/81/54/599488154.db2.gz LSSFJUPDQCJGGK-UHFFFAOYSA-N -1 3 391.391 2.674 20 5 GFBDHM C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820320998 599503188 /nfs/dbraw/zinc/50/31/88/599503188.db2.gz AQLKJVUNSZJQQB-ZDUSSCGKSA-N -1 3 395.423 2.844 20 5 GFBDHM C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820320998 599503190 /nfs/dbraw/zinc/50/31/90/599503190.db2.gz AQLKJVUNSZJQQB-ZDUSSCGKSA-N -1 3 395.423 2.844 20 5 GFBDHM COC(=O)Nc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736939563 599526826 /nfs/dbraw/zinc/52/68/26/599526826.db2.gz JVMCHJBGRWUJMO-UHFFFAOYSA-N -1 3 383.368 2.608 20 5 GFBDHM COC(=O)Nc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736939563 599526829 /nfs/dbraw/zinc/52/68/29/599526829.db2.gz JVMCHJBGRWUJMO-UHFFFAOYSA-N -1 3 383.368 2.608 20 5 GFBDHM C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820333416 599528880 /nfs/dbraw/zinc/52/88/80/599528880.db2.gz BANIIOAQVHKLEN-GFCCVEGCSA-N -1 3 391.391 2.607 20 5 GFBDHM C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820333416 599528882 /nfs/dbraw/zinc/52/88/82/599528882.db2.gz BANIIOAQVHKLEN-GFCCVEGCSA-N -1 3 391.391 2.607 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC1CCOCC1 ZINC000737278131 599534991 /nfs/dbraw/zinc/53/49/91/599534991.db2.gz FHBJRDAZJPRDEQ-UHFFFAOYSA-N -1 3 397.395 2.780 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC1CCOCC1 ZINC000737278131 599534993 /nfs/dbraw/zinc/53/49/93/599534993.db2.gz FHBJRDAZJPRDEQ-UHFFFAOYSA-N -1 3 397.395 2.780 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820160919 607406697 /nfs/dbraw/zinc/40/66/97/607406697.db2.gz PQEIQQSRVRSPEX-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820160919 607406699 /nfs/dbraw/zinc/40/66/99/607406699.db2.gz PQEIQQSRVRSPEX-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM Cc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)cc3F)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198953 607454378 /nfs/dbraw/zinc/45/43/78/607454378.db2.gz PWLNTLSHEAQDER-ZSOIEALJSA-N -1 3 394.322 2.567 20 5 GFBDHM Cc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)cc3F)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198953 607454381 /nfs/dbraw/zinc/45/43/81/607454381.db2.gz PWLNTLSHEAQDER-ZSOIEALJSA-N -1 3 394.322 2.567 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832097754 601206378 /nfs/dbraw/zinc/20/63/78/601206378.db2.gz KVYIYEYPUQWWDL-SGTLLEGYSA-N -1 3 387.392 2.594 20 5 GFBDHM CC(C)CCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824249481 607524266 /nfs/dbraw/zinc/52/42/66/607524266.db2.gz ONOXMEAMEXBRBN-SECBINFHSA-N -1 3 382.808 2.818 20 5 GFBDHM CC(C)CCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824249481 607524267 /nfs/dbraw/zinc/52/42/67/607524267.db2.gz ONOXMEAMEXBRBN-SECBINFHSA-N -1 3 382.808 2.818 20 5 GFBDHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029119 607536826 /nfs/dbraw/zinc/53/68/26/607536826.db2.gz DTQOHHTYURTLAV-UHFFFAOYSA-N -1 3 378.348 2.809 20 5 GFBDHM CC(=O)c1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000824029119 607536828 /nfs/dbraw/zinc/53/68/28/607536828.db2.gz DTQOHHTYURTLAV-UHFFFAOYSA-N -1 3 378.348 2.809 20 5 GFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826442768 607576904 /nfs/dbraw/zinc/57/69/04/607576904.db2.gz KRAOWFCNFKUPLS-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826442768 607576906 /nfs/dbraw/zinc/57/69/06/607576906.db2.gz KRAOWFCNFKUPLS-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826293232 607590692 /nfs/dbraw/zinc/59/06/92/607590692.db2.gz GZYWIFFIJXUHHL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COCCCOc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826157492 607730097 /nfs/dbraw/zinc/73/00/97/607730097.db2.gz XXSHBKOYGNWCSJ-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM COCCCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826157492 607730099 /nfs/dbraw/zinc/73/00/99/607730099.db2.gz XXSHBKOYGNWCSJ-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM CCc1ccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476743 606130906 /nfs/dbraw/zinc/13/09/06/606130906.db2.gz RUBNNYUIPXSDOR-UHFFFAOYSA-N -1 3 383.364 2.573 20 5 GFBDHM CCc1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476743 606130907 /nfs/dbraw/zinc/13/09/07/606130907.db2.gz RUBNNYUIPXSDOR-UHFFFAOYSA-N -1 3 383.364 2.573 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823639815 606201432 /nfs/dbraw/zinc/20/14/32/606201432.db2.gz HUJBOHREHMVOCR-ABAIWWIYSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000823639815 606201434 /nfs/dbraw/zinc/20/14/34/606201434.db2.gz HUJBOHREHMVOCR-ABAIWWIYSA-N -1 3 386.437 2.929 20 5 GFBDHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919659 606308961 /nfs/dbraw/zinc/30/89/61/606308961.db2.gz FHRNUKTXQIMJJI-IAGOWNOFSA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919659 606308962 /nfs/dbraw/zinc/30/89/62/606308962.db2.gz FHRNUKTXQIMJJI-IAGOWNOFSA-N -1 3 396.407 2.730 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822935918 606368843 /nfs/dbraw/zinc/36/88/43/606368843.db2.gz PWCYVBJVLLFNGZ-YVMONPNESA-N -1 3 392.331 2.673 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822935918 606368844 /nfs/dbraw/zinc/36/88/44/606368844.db2.gz PWCYVBJVLLFNGZ-YVMONPNESA-N -1 3 392.331 2.673 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228762 606448584 /nfs/dbraw/zinc/44/85/84/606448584.db2.gz FDPRRVNSONVRTJ-ASCRHOAZSA-N -1 3 378.392 2.974 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228762 606448585 /nfs/dbraw/zinc/44/85/85/606448585.db2.gz FDPRRVNSONVRTJ-ASCRHOAZSA-N -1 3 378.392 2.974 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821607370 606501864 /nfs/dbraw/zinc/50/18/64/606501864.db2.gz LSXPYOZZKDBGHQ-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821607370 606501866 /nfs/dbraw/zinc/50/18/66/606501866.db2.gz LSXPYOZZKDBGHQ-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820178098 606561689 /nfs/dbraw/zinc/56/16/89/606561689.db2.gz HNAMMERFJLJTKO-UHFFFAOYSA-N -1 3 389.393 2.981 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820178098 606561690 /nfs/dbraw/zinc/56/16/90/606561690.db2.gz HNAMMERFJLJTKO-UHFFFAOYSA-N -1 3 389.393 2.981 20 5 GFBDHM CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915682 606588659 /nfs/dbraw/zinc/58/86/59/606588659.db2.gz WLMIRCQFEWICRY-PXAZEXFGSA-N -1 3 396.407 2.810 20 5 GFBDHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000821846284 606589469 /nfs/dbraw/zinc/58/94/69/606589469.db2.gz PGPHRTYPCUPGNJ-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000821846284 606589471 /nfs/dbraw/zinc/58/94/71/606589471.db2.gz PGPHRTYPCUPGNJ-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919318 606621285 /nfs/dbraw/zinc/62/12/85/606621285.db2.gz BOZWHNDLTZVKEH-IRXDYDNUSA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919318 606621287 /nfs/dbraw/zinc/62/12/87/606621287.db2.gz BOZWHNDLTZVKEH-IRXDYDNUSA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822271062 606655999 /nfs/dbraw/zinc/65/59/99/606655999.db2.gz KXQPNYLZPIVHNA-LBPRGKRZSA-N -1 3 382.380 2.798 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822271062 606656000 /nfs/dbraw/zinc/65/60/00/606656000.db2.gz KXQPNYLZPIVHNA-LBPRGKRZSA-N -1 3 382.380 2.798 20 5 GFBDHM COC(=O)c1cc(NCc2cc(-c3nnn[n-]3)ccc2F)cc(C)c1[N+](=O)[O-] ZINC000821668035 606787865 /nfs/dbraw/zinc/78/78/65/606787865.db2.gz MAZKMDYWYLWOGH-UHFFFAOYSA-N -1 3 386.343 2.621 20 5 GFBDHM COC(=O)c1cc(NCc2cc(-c3nn[n-]n3)ccc2F)cc(C)c1[N+](=O)[O-] ZINC000821668035 606787867 /nfs/dbraw/zinc/78/78/67/606787867.db2.gz MAZKMDYWYLWOGH-UHFFFAOYSA-N -1 3 386.343 2.621 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822129042 606792897 /nfs/dbraw/zinc/79/28/97/606792897.db2.gz HACSCLGWWGSFGT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822129042 606792899 /nfs/dbraw/zinc/79/28/99/606792899.db2.gz HACSCLGWWGSFGT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822267220 606793865 /nfs/dbraw/zinc/79/38/65/606793865.db2.gz OTMBTOPXZSLESX-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822267220 606793868 /nfs/dbraw/zinc/79/38/68/606793868.db2.gz OTMBTOPXZSLESX-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822184689 606943502 /nfs/dbraw/zinc/94/35/02/606943502.db2.gz ZJJBUQOLGOFZKI-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822184689 606943504 /nfs/dbraw/zinc/94/35/04/606943504.db2.gz ZJJBUQOLGOFZKI-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823414330 607086588 /nfs/dbraw/zinc/08/65/88/607086588.db2.gz USJUXBXHRAEMEL-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823414330 607086590 /nfs/dbraw/zinc/08/65/90/607086590.db2.gz USJUXBXHRAEMEL-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM Cc1cccc([C@@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822289332 607127796 /nfs/dbraw/zinc/12/77/96/607127796.db2.gz WCPACHYORMMOHH-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1cccc([C@@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822289332 607127797 /nfs/dbraw/zinc/12/77/97/607127797.db2.gz WCPACHYORMMOHH-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM O=[N+]([O-])c1cc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1Cl ZINC000823634823 607176693 /nfs/dbraw/zinc/17/66/93/607176693.db2.gz MTGNTIBBLCHOSA-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1cc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1Cl ZINC000823634823 607176694 /nfs/dbraw/zinc/17/66/94/607176694.db2.gz MTGNTIBBLCHOSA-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376695 607796463 /nfs/dbraw/zinc/79/64/63/607796463.db2.gz LHYUTCJXDZRDLL-UHFFFAOYSA-N -1 3 391.391 2.783 20 5 GFBDHM CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376695 607796464 /nfs/dbraw/zinc/79/64/64/607796464.db2.gz LHYUTCJXDZRDLL-UHFFFAOYSA-N -1 3 391.391 2.783 20 5 GFBDHM CCOc1ccc(Cl)cc1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825638710 607905402 /nfs/dbraw/zinc/90/54/02/607905402.db2.gz OFSWGYTYMIUUJE-UHFFFAOYSA-N -1 3 389.803 2.877 20 5 GFBDHM CCOc1ccc(Cl)cc1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825638710 607905403 /nfs/dbraw/zinc/90/54/03/607905403.db2.gz OFSWGYTYMIUUJE-UHFFFAOYSA-N -1 3 389.803 2.877 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826497324 607935958 /nfs/dbraw/zinc/93/59/58/607935958.db2.gz CJJQQIZYNSIRDA-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826497324 607935959 /nfs/dbraw/zinc/93/59/59/607935959.db2.gz CJJQQIZYNSIRDA-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccsc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499660 608019023 /nfs/dbraw/zinc/01/90/23/608019023.db2.gz RNGDOICDARQVBL-UHFFFAOYSA-N -1 3 379.405 2.947 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccsc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499660 608019024 /nfs/dbraw/zinc/01/90/24/608019024.db2.gz RNGDOICDARQVBL-UHFFFAOYSA-N -1 3 379.405 2.947 20 5 GFBDHM CCOc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000825616073 608052352 /nfs/dbraw/zinc/05/23/52/608052352.db2.gz VNVASZSXPUWCTH-SFHVURJKSA-N -1 3 396.407 2.752 20 5 GFBDHM CCOc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000825616073 608052353 /nfs/dbraw/zinc/05/23/53/608052353.db2.gz VNVASZSXPUWCTH-SFHVURJKSA-N -1 3 396.407 2.752 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824492439 608405260 /nfs/dbraw/zinc/40/52/60/608405260.db2.gz YPVYVDQMIDKWMM-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824492439 608405262 /nfs/dbraw/zinc/40/52/62/608405262.db2.gz YPVYVDQMIDKWMM-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826272331 608556750 /nfs/dbraw/zinc/55/67/50/608556750.db2.gz DSRMUDWMYFEFLD-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1cc([N+](=O)[O-])cnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826272331 608556752 /nfs/dbraw/zinc/55/67/52/608556752.db2.gz DSRMUDWMYFEFLD-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM CNc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826089911 609155221 /nfs/dbraw/zinc/15/52/21/609155221.db2.gz ADQKWHRIAPSHTM-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM CNc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826089911 609155222 /nfs/dbraw/zinc/15/52/22/609155222.db2.gz ADQKWHRIAPSHTM-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999249 609314431 /nfs/dbraw/zinc/31/44/31/609314431.db2.gz SXASLFIFXJWWPM-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826186492 609365903 /nfs/dbraw/zinc/36/59/03/609365903.db2.gz VRNRYCHRZXWCOO-UHFFFAOYSA-N -1 3 395.423 2.864 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826186492 609365906 /nfs/dbraw/zinc/36/59/06/609365906.db2.gz VRNRYCHRZXWCOO-UHFFFAOYSA-N -1 3 395.423 2.864 20 5 GFBDHM O=C1[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478291 609575840 /nfs/dbraw/zinc/57/58/40/609575840.db2.gz YKWBEMUKIIIBQP-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478291 609575843 /nfs/dbraw/zinc/57/58/43/609575843.db2.gz YKWBEMUKIIIBQP-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252573 609598250 /nfs/dbraw/zinc/59/82/50/609598250.db2.gz JIGJXPYYRQFUTD-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252573 609598251 /nfs/dbraw/zinc/59/82/51/609598251.db2.gz JIGJXPYYRQFUTD-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC(F)F ZINC000827882115 660521549 /nfs/dbraw/zinc/52/15/49/660521549.db2.gz PTYXGTCJOKPCBV-SSDOTTSWSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000462655217 655413512 /nfs/dbraw/zinc/41/35/12/655413512.db2.gz KABYGNZLCVKYFZ-UHFFFAOYSA-N -1 3 377.138 2.588 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)c(Cl)c1 ZINC000510439777 655417588 /nfs/dbraw/zinc/41/75/88/655417588.db2.gz ATCZGWQFODPINI-LBPRGKRZSA-N -1 3 382.825 2.920 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)n2)c(C(F)(F)F)c1 ZINC000747905235 655785342 /nfs/dbraw/zinc/78/53/42/655785342.db2.gz WDPLAZVRCASEPL-UHFFFAOYSA-N -1 3 379.291 2.626 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000757351370 655910856 /nfs/dbraw/zinc/91/08/56/655910856.db2.gz LMOCLAJKCCXYDQ-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000779873795 656951779 /nfs/dbraw/zinc/95/17/79/656951779.db2.gz TWWPHPGDKCFGEO-CQSZACIVSA-N -1 3 378.834 2.567 20 5 GFBDHM COC(=O)C1([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000779872723 656951835 /nfs/dbraw/zinc/95/18/35/656951835.db2.gz DLBYWRBBMYYUED-UHFFFAOYSA-N -1 3 390.845 2.711 20 5 GFBDHM Cc1ccc([C@@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796105321 658892454 /nfs/dbraw/zinc/89/24/54/658892454.db2.gz QKGPDOSONFCIKE-BZNIZROVSA-N -1 3 384.841 2.957 20 5 GFBDHM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000800966926 659359994 /nfs/dbraw/zinc/35/99/94/659359994.db2.gz QAGTXTATDHSFLR-HNNXBMFYSA-N -1 3 384.841 2.877 20 5 GFBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801715238 659419074 /nfs/dbraw/zinc/41/90/74/659419074.db2.gz BMNPPFGLJANSIC-ZDUSSCGKSA-N -1 3 389.886 2.891 20 5 GFBDHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823235 659943698 /nfs/dbraw/zinc/94/36/98/659943698.db2.gz JDWGZGFHRYPSCZ-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000817147458 660183661 /nfs/dbraw/zinc/18/36/61/660183661.db2.gz ZTTLXLVKRJCXCL-ONGXEEELSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1 ZINC000845998052 661520598 /nfs/dbraw/zinc/52/05/98/661520598.db2.gz KDTHSRXDZXWRMV-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)cc1Cl ZINC000859346950 662154757 /nfs/dbraw/zinc/15/47/57/662154757.db2.gz HQRZJICAWHEKQH-LLVKDONJSA-N -1 3 391.852 2.683 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000056039053 551175832 /nfs/dbraw/zinc/17/58/32/551175832.db2.gz VJXYBVMQHYHNLS-ZDUSSCGKSA-N -1 3 389.886 2.891 20 5 GFBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056058143 551176196 /nfs/dbraw/zinc/17/61/96/551176196.db2.gz KRHGAVGULMLHSB-UHFFFAOYSA-N -1 3 383.813 2.685 20 5 GFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000056142872 551177559 /nfs/dbraw/zinc/17/75/59/551177559.db2.gz YAQQJJABYFZBKC-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123386022 551306203 /nfs/dbraw/zinc/30/62/03/551306203.db2.gz WXVXDDRNMBLUOC-UHFFFAOYSA-N -1 3 380.080 2.747 20 5 GFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123386022 551306205 /nfs/dbraw/zinc/30/62/05/551306205.db2.gz WXVXDDRNMBLUOC-UHFFFAOYSA-N -1 3 380.080 2.747 20 5 GFBDHM C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000183290932 552305174 /nfs/dbraw/zinc/30/51/74/552305174.db2.gz AZXCBIAHLAOAIT-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000184331582 552332811 /nfs/dbraw/zinc/33/28/11/552332811.db2.gz RHFZNSVBQZNSPG-UHFFFAOYSA-N -1 3 376.785 2.996 20 5 GFBDHM O=C(Nc1ccc(I)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186853079 552399705 /nfs/dbraw/zinc/39/97/05/552399705.db2.gz WRKIOWMUWVJTCB-UHFFFAOYSA-N -1 3 385.117 2.552 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000187190747 552408925 /nfs/dbraw/zinc/40/89/25/552408925.db2.gz DCAXAMOYTCAJOD-SNVBAGLBSA-N -1 3 388.442 2.961 20 5 GFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000416532449 563844018 /nfs/dbraw/zinc/84/40/18/563844018.db2.gz XNLFMRPSGOAWJW-KLPPZKSPSA-N -1 3 393.259 2.592 20 5 GFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429876323 563527507 /nfs/dbraw/zinc/52/75/07/563527507.db2.gz GJPUWECQMQHDAH-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000416438374 563828730 /nfs/dbraw/zinc/82/87/30/563828730.db2.gz JZTLBQVWUVSNKJ-JQWIXIFHSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453331 563830790 /nfs/dbraw/zinc/83/07/90/563830790.db2.gz CTDHWGSVOVFHPQ-ZANVPECISA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000416609066 563853061 /nfs/dbraw/zinc/85/30/61/563853061.db2.gz UBOOHPZETCEXKS-KXUCPTDWSA-N -1 3 382.360 2.705 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416634268 563855967 /nfs/dbraw/zinc/85/59/67/563855967.db2.gz YSLPRJLJTZUKJC-GWCFXTLKSA-N -1 3 384.376 2.687 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447020836 563872625 /nfs/dbraw/zinc/87/26/25/563872625.db2.gz MGRSYQAKHMSOAW-GFCCVEGCSA-N -1 3 395.275 2.697 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472700479 564230998 /nfs/dbraw/zinc/23/09/98/564230998.db2.gz QQKAOUTXVTUGGT-LLVKDONJSA-N -1 3 396.368 2.687 20 5 GFBDHM C[C@@H]1Oc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2NC1=O ZINC000542101690 564301312 /nfs/dbraw/zinc/30/13/12/564301312.db2.gz JMJDWUUACHUKNN-ZETCQYMHSA-N -1 3 383.407 2.523 20 5 GFBDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000542240933 564306631 /nfs/dbraw/zinc/30/66/31/564306631.db2.gz CQGLUOIVIWVFLS-GFCCVEGCSA-N -1 3 388.829 2.767 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCc1ccc([N+](=O)[O-])cc1 ZINC000477615363 564382131 /nfs/dbraw/zinc/38/21/31/564382131.db2.gz IVCGPKQSTVFBED-UHFFFAOYSA-N -1 3 379.210 2.964 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000544596122 564389716 /nfs/dbraw/zinc/38/97/16/564389716.db2.gz NPPQCMGTQXTYTR-GFCCVEGCSA-N -1 3 388.804 2.708 20 5 GFBDHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000512170296 564394615 /nfs/dbraw/zinc/39/46/15/564394615.db2.gz KLQNFGACOCZPSF-QMMMGPOBSA-N -1 3 390.414 2.852 20 5 GFBDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000483326318 564564538 /nfs/dbraw/zinc/56/45/38/564564538.db2.gz UNEDRPSHOCJJCR-UHFFFAOYSA-N -1 3 376.423 2.821 20 5 GFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000486241874 564645599 /nfs/dbraw/zinc/64/55/99/564645599.db2.gz MPMDJRDTDYOTAO-UHFFFAOYSA-N -1 3 385.829 2.647 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000553902681 564744298 /nfs/dbraw/zinc/74/42/98/564744298.db2.gz VZCYVXWTNSBWML-GFCCVEGCSA-N -1 3 384.841 2.611 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000490455696 564772607 /nfs/dbraw/zinc/77/26/07/564772607.db2.gz XKSPDMJEZHZAOK-NSHDSACASA-N -1 3 385.442 2.661 20 5 GFBDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921787 564777165 /nfs/dbraw/zinc/77/71/65/564777165.db2.gz APLKICXFMIORSK-GFCCVEGCSA-N -1 3 389.886 2.891 20 5 GFBDHM Cc1cc(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000491573882 564792614 /nfs/dbraw/zinc/79/26/14/564792614.db2.gz UWDNRUJCHTYWLJ-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400986 564962616 /nfs/dbraw/zinc/96/26/16/564962616.db2.gz NCCCPLCJWPVUHP-GFCCVEGCSA-N -1 3 383.495 2.764 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000468991247 565001688 /nfs/dbraw/zinc/00/16/88/565001688.db2.gz PQTYRFFLXPNDGM-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1cccs1 ZINC000469242496 565010102 /nfs/dbraw/zinc/01/01/02/565010102.db2.gz OCWCJOOXNNTMFB-LBPRGKRZSA-N -1 3 384.435 2.873 20 5 GFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619477031 565343211 /nfs/dbraw/zinc/34/32/11/565343211.db2.gz SIYHXPUPQDQKPO-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc(C(C)(C)C)cs1 ZINC000619482094 565344036 /nfs/dbraw/zinc/34/40/36/565344036.db2.gz PSVHHOIETHQZIM-UHFFFAOYSA-N -1 3 385.467 2.836 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)nc1 ZINC000593590601 565344933 /nfs/dbraw/zinc/34/49/33/565344933.db2.gz HRRVHVQABGFEDI-UHFFFAOYSA-N -1 3 385.804 2.949 20 5 GFBDHM CC(C)Oc1cncc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000594067380 565374125 /nfs/dbraw/zinc/37/41/25/565374125.db2.gz KVVIZRZIQQEKQK-UHFFFAOYSA-N -1 3 387.215 2.670 20 5 GFBDHM CSCC1(CC[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594819755 565425390 /nfs/dbraw/zinc/42/53/90/565425390.db2.gz WGRFKXMLXDUTCU-UHFFFAOYSA-N -1 3 381.479 2.955 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)COc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000594840287 565428418 /nfs/dbraw/zinc/42/84/18/565428418.db2.gz KTUVNGGOSUZFOI-MRVPVSSYSA-N -1 3 392.405 2.989 20 5 GFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(F)F ZINC000595350339 565467678 /nfs/dbraw/zinc/46/76/78/565467678.db2.gz AEBDUFJWXHBRLE-SNVBAGLBSA-N -1 3 399.213 2.927 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000610711783 566094146 /nfs/dbraw/zinc/09/41/46/566094146.db2.gz HISGQSUKZTUQCC-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Br)c1 ZINC000610955784 566107662 /nfs/dbraw/zinc/10/76/62/566107662.db2.gz WPXBOKMBRVKVNF-NSHDSACASA-N -1 3 397.250 2.976 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCO1 ZINC000611469377 566131539 /nfs/dbraw/zinc/13/15/39/566131539.db2.gz RAJPQQFVQBFCBT-SKDRFNHKSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000611469329 566131811 /nfs/dbraw/zinc/13/18/11/566131811.db2.gz JXMBSARDVYXTFO-NOZJJQNGSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000820769491 599038348 /nfs/dbraw/zinc/03/83/48/599038348.db2.gz UNQIIBKBIKIEAN-APPDUMDISA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000820769491 599038351 /nfs/dbraw/zinc/03/83/51/599038351.db2.gz UNQIIBKBIKIEAN-APPDUMDISA-N -1 3 384.371 2.880 20 5 GFBDHM COC(=O)C(C)(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821639354 599040081 /nfs/dbraw/zinc/04/00/81/599040081.db2.gz WJLFRBJAIZNXCS-UHFFFAOYSA-N -1 3 382.380 2.969 20 5 GFBDHM COC(=O)C(C)(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821639354 599040084 /nfs/dbraw/zinc/04/00/84/599040084.db2.gz WJLFRBJAIZNXCS-UHFFFAOYSA-N -1 3 382.380 2.969 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccc(F)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366585 599274006 /nfs/dbraw/zinc/27/40/06/599274006.db2.gz FLMHQHWUDUZTSB-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3ccc(F)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366585 599274009 /nfs/dbraw/zinc/27/40/09/599274009.db2.gz FLMHQHWUDUZTSB-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM C[C@H](Cc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820308113 607329398 /nfs/dbraw/zinc/32/93/98/607329398.db2.gz RGDYEMUCLRYGFW-SECBINFHSA-N -1 3 382.409 2.823 20 5 GFBDHM C[C@H](Cc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820308113 607329399 /nfs/dbraw/zinc/32/93/99/607329399.db2.gz RGDYEMUCLRYGFW-SECBINFHSA-N -1 3 382.409 2.823 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738098785 598316945 /nfs/dbraw/zinc/31/69/45/598316945.db2.gz CRUKDSHAZVRAQI-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000738098785 598316947 /nfs/dbraw/zinc/31/69/47/598316947.db2.gz CRUKDSHAZVRAQI-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM Cc1c(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217287 598578759 /nfs/dbraw/zinc/57/87/59/598578759.db2.gz ALWPQCDKPOLOSZ-INIZCTEOSA-N -1 3 394.391 2.658 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737372675 598578933 /nfs/dbraw/zinc/57/89/33/598578933.db2.gz HTYNYSHIMRTTAU-INIZCTEOSA-N -1 3 394.391 2.658 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)c(-c4nnn[n-]4)c3)n2)c1 ZINC000738366070 598602425 /nfs/dbraw/zinc/60/24/25/598602425.db2.gz BBYDTPSBERKWEM-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(F)c(-c4nn[n-]n4)c3)n2)c1 ZINC000738366070 598602427 /nfs/dbraw/zinc/60/24/27/598602427.db2.gz BBYDTPSBERKWEM-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820341750 599480323 /nfs/dbraw/zinc/48/03/23/599480323.db2.gz RIMIIJRKHDINJX-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820341750 599480324 /nfs/dbraw/zinc/48/03/24/599480324.db2.gz RIMIIJRKHDINJX-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM CCOC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821368327 599557725 /nfs/dbraw/zinc/55/77/25/599557725.db2.gz TXQJTXAHPANMRP-GFCCVEGCSA-N -1 3 383.412 2.576 20 5 GFBDHM CCOC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821368327 599557728 /nfs/dbraw/zinc/55/77/28/599557728.db2.gz TXQJTXAHPANMRP-GFCCVEGCSA-N -1 3 383.412 2.576 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000820468216 599571281 /nfs/dbraw/zinc/57/12/81/599571281.db2.gz SHYSQSIHQNOLHF-QGZVFWFLSA-N -1 3 397.420 2.704 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000820468216 599571284 /nfs/dbraw/zinc/57/12/84/599571284.db2.gz SHYSQSIHQNOLHF-QGZVFWFLSA-N -1 3 397.420 2.704 20 5 GFBDHM Cc1ccc(-c2nc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)co2)cc1 ZINC000822214238 599688692 /nfs/dbraw/zinc/68/86/92/599688692.db2.gz VUFJBBUDOLLHGC-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1ccc(-c2nc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)co2)cc1 ZINC000822214238 599688693 /nfs/dbraw/zinc/68/86/93/599688693.db2.gz VUFJBBUDOLLHGC-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820161342 607396713 /nfs/dbraw/zinc/39/67/13/607396713.db2.gz VQNAQPKTKSUACT-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820161342 607396714 /nfs/dbraw/zinc/39/67/14/607396714.db2.gz VQNAQPKTKSUACT-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826254123 607405242 /nfs/dbraw/zinc/40/52/42/607405242.db2.gz VNXLHSIFHPRRCY-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826254123 607405243 /nfs/dbraw/zinc/40/52/43/607405243.db2.gz VNXLHSIFHPRRCY-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000738673513 600480821 /nfs/dbraw/zinc/48/08/21/600480821.db2.gz QHKQJEWRQDAVET-KRWDZBQOSA-N -1 3 383.404 2.687 20 5 GFBDHM O=[N+]([O-])c1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)nc1 ZINC000823645965 607466629 /nfs/dbraw/zinc/46/66/29/607466629.db2.gz YITNMKLUXYLIKA-UHFFFAOYSA-N -1 3 382.365 2.512 20 5 GFBDHM O=[N+]([O-])c1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)nc1 ZINC000823645965 607466630 /nfs/dbraw/zinc/46/66/30/607466630.db2.gz YITNMKLUXYLIKA-UHFFFAOYSA-N -1 3 382.365 2.512 20 5 GFBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826045639 601653101 /nfs/dbraw/zinc/65/31/01/601653101.db2.gz VVYMAVCPIYOBLC-DJJJIMSYSA-N -1 3 383.404 2.536 20 5 GFBDHM Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000832911225 601730974 /nfs/dbraw/zinc/73/09/74/601730974.db2.gz IUYAAEWKZYJXTH-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ncccc1C(F)(F)F ZINC000826497485 607564062 /nfs/dbraw/zinc/56/40/62/607564062.db2.gz IXVRBGCWMQZIHS-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ncccc1C(F)(F)F ZINC000826497485 607564063 /nfs/dbraw/zinc/56/40/63/607564063.db2.gz IXVRBGCWMQZIHS-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739097072 602432719 /nfs/dbraw/zinc/43/27/19/602432719.db2.gz CSSIVLWIDIBXSA-KPZWWZAWSA-N -1 3 379.413 2.767 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826421737 607594698 /nfs/dbraw/zinc/59/46/98/607594698.db2.gz WRCPHXQVWZBHPO-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826421737 607594699 /nfs/dbraw/zinc/59/46/99/607594699.db2.gz WRCPHXQVWZBHPO-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000833771082 604763303 /nfs/dbraw/zinc/76/33/03/604763303.db2.gz UYXCYTUEAQLIHM-KRWDZBQOSA-N -1 3 376.434 2.981 20 5 GFBDHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000833771083 604763308 /nfs/dbraw/zinc/76/33/08/604763308.db2.gz UYXCYTUEAQLIHM-QGZVFWFLSA-N -1 3 376.434 2.981 20 5 GFBDHM CN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833685443 605182266 /nfs/dbraw/zinc/18/22/66/605182266.db2.gz HVEQDROKWUOPFF-SFHVURJKSA-N -1 3 385.420 2.999 20 5 GFBDHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820926329 606042060 /nfs/dbraw/zinc/04/20/60/606042060.db2.gz QXGCRTQDYOMJIN-OAHLLOKOSA-N -1 3 383.412 2.940 20 5 GFBDHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820926329 606042065 /nfs/dbraw/zinc/04/20/65/606042065.db2.gz QXGCRTQDYOMJIN-OAHLLOKOSA-N -1 3 383.412 2.940 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000823652322 606431412 /nfs/dbraw/zinc/43/14/12/606431412.db2.gz ZXHLPBSUOYLPLQ-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000823652322 606431414 /nfs/dbraw/zinc/43/14/14/606431414.db2.gz ZXHLPBSUOYLPLQ-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160005 606438474 /nfs/dbraw/zinc/43/84/74/606438474.db2.gz FXDXFQKJHNEETO-NSHDSACASA-N -1 3 381.396 2.580 20 5 GFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160005 606438476 /nfs/dbraw/zinc/43/84/76/606438476.db2.gz FXDXFQKJHNEETO-NSHDSACASA-N -1 3 381.396 2.580 20 5 GFBDHM Cc1cc(C)c(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(=O)[nH]1 ZINC000822194035 606444053 /nfs/dbraw/zinc/44/40/53/606444053.db2.gz GJJDMSYCYYKRHA-UHFFFAOYSA-N -1 3 392.379 2.653 20 5 GFBDHM Cc1cc(C)c(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c(=O)[nH]1 ZINC000822194035 606444054 /nfs/dbraw/zinc/44/40/54/606444054.db2.gz GJJDMSYCYYKRHA-UHFFFAOYSA-N -1 3 392.379 2.653 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000822238531 606634037 /nfs/dbraw/zinc/63/40/37/606634037.db2.gz LKNNHJDAONRVII-UHFFFAOYSA-N -1 3 395.423 2.532 20 5 GFBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000822238531 606634038 /nfs/dbraw/zinc/63/40/38/606634038.db2.gz LKNNHJDAONRVII-UHFFFAOYSA-N -1 3 395.423 2.532 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000820456875 606725381 /nfs/dbraw/zinc/72/53/81/606725381.db2.gz WPSZIQWJRPOGQY-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000820456875 606725384 /nfs/dbraw/zinc/72/53/84/606725384.db2.gz WPSZIQWJRPOGQY-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000823639995 606801404 /nfs/dbraw/zinc/80/14/04/606801404.db2.gz OMMBJFQSGMCKHF-UHFFFAOYSA-N -1 3 375.732 2.949 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000823639995 606801406 /nfs/dbraw/zinc/80/14/06/606801406.db2.gz OMMBJFQSGMCKHF-UHFFFAOYSA-N -1 3 375.732 2.949 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822271021 606947305 /nfs/dbraw/zinc/94/73/05/606947305.db2.gz IUYNLGDOGITTIP-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822271021 606947306 /nfs/dbraw/zinc/94/73/06/606947306.db2.gz IUYNLGDOGITTIP-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC000826477435 608053403 /nfs/dbraw/zinc/05/34/03/608053403.db2.gz DCZVIKSVBSGMQE-AWEZNQCLSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC000826477435 608053404 /nfs/dbraw/zinc/05/34/04/608053404.db2.gz DCZVIKSVBSGMQE-AWEZNQCLSA-N -1 3 397.370 2.522 20 5 GFBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826206509 608116916 /nfs/dbraw/zinc/11/69/16/608116916.db2.gz XJKOPZOYCBHDEI-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826206509 608116917 /nfs/dbraw/zinc/11/69/17/608116917.db2.gz XJKOPZOYCBHDEI-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455239 608119990 /nfs/dbraw/zinc/11/99/90/608119990.db2.gz FZTZNVNOTYFIMK-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455239 608119991 /nfs/dbraw/zinc/11/99/91/608119991.db2.gz FZTZNVNOTYFIMK-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM CN(C)c1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825879304 608128499 /nfs/dbraw/zinc/12/84/99/608128499.db2.gz KOHUYUZIYGXFCV-NTMALXAHSA-N -1 3 394.391 2.598 20 5 GFBDHM CN(C)c1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825879304 608128500 /nfs/dbraw/zinc/12/85/00/608128500.db2.gz KOHUYUZIYGXFCV-NTMALXAHSA-N -1 3 394.391 2.598 20 5 GFBDHM CCC1(O)CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825176287 608238999 /nfs/dbraw/zinc/23/89/99/608238999.db2.gz NRSNEWRBJLIKMJ-UHFFFAOYSA-N -1 3 383.412 2.819 20 5 GFBDHM CCC1(O)CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825176287 608239001 /nfs/dbraw/zinc/23/90/01/608239001.db2.gz NRSNEWRBJLIKMJ-UHFFFAOYSA-N -1 3 383.412 2.819 20 5 GFBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189972 608239734 /nfs/dbraw/zinc/23/97/34/608239734.db2.gz LDDHYCAQWBFSGM-GTNSWQLSSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189972 608239735 /nfs/dbraw/zinc/23/97/35/608239735.db2.gz LDDHYCAQWBFSGM-GTNSWQLSSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000826173669 608264389 /nfs/dbraw/zinc/26/43/89/608264389.db2.gz PABBGFHBUVZEND-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000826173669 608264392 /nfs/dbraw/zinc/26/43/92/608264392.db2.gz PABBGFHBUVZEND-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826365045 608294798 /nfs/dbraw/zinc/29/47/98/608294798.db2.gz ZAVKJSUBUDVFCK-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826365045 608294800 /nfs/dbraw/zinc/29/48/00/608294800.db2.gz ZAVKJSUBUDVFCK-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826172242 608360255 /nfs/dbraw/zinc/36/02/55/608360255.db2.gz VGMORWPLLFODON-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826172242 608360256 /nfs/dbraw/zinc/36/02/56/608360256.db2.gz VGMORWPLLFODON-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(CCOc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826499335 608381232 /nfs/dbraw/zinc/38/12/32/608381232.db2.gz FDPWPFZYRGUTAF-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000831823189 660729557 /nfs/dbraw/zinc/72/95/57/660729557.db2.gz RLMCYIDYPZRKLJ-SKDRFNHKSA-N -1 3 395.275 2.697 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000127920026 654837550 /nfs/dbraw/zinc/83/75/50/654837550.db2.gz WMHIFOFUWZASDY-SMDDNHRTSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000130048842 654879827 /nfs/dbraw/zinc/87/98/27/654879827.db2.gz FUCMJWFTPVUQND-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000269151550 654999978 /nfs/dbraw/zinc/99/99/78/654999978.db2.gz SDQFGCYWAOIBPC-HZMBPMFUSA-N -1 3 392.886 2.581 20 5 GFBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596167614 655514416 /nfs/dbraw/zinc/51/44/16/655514416.db2.gz DUZWIKWKQQVOMN-UHFFFAOYSA-N -1 3 393.241 2.780 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000736157753 655659723 /nfs/dbraw/zinc/65/97/23/655659723.db2.gz FVEZREYXTWTWNO-UHFFFAOYSA-N -1 3 387.801 2.652 20 5 GFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000752247284 655841336 /nfs/dbraw/zinc/84/13/36/655841336.db2.gz LHOSFRGJXZZKKN-UHFFFAOYSA-N -1 3 386.861 2.868 20 5 GFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000772857001 656391845 /nfs/dbraw/zinc/39/18/45/656391845.db2.gz DADZONVYEVMBIR-UHFFFAOYSA-N -1 3 385.814 2.558 20 5 GFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813525414 660056405 /nfs/dbraw/zinc/05/64/05/660056405.db2.gz RQYZORNWAPEPGN-UHFFFAOYSA-N -1 3 384.101 2.969 20 5 GFBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000053524546 222011111 /nfs/dbraw/zinc/01/11/11/222011111.db2.gz HVSPBLQCJDFAPD-UHFFFAOYSA-N -1 3 379.380 2.627 20 5 GFBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000053524546 222011114 /nfs/dbraw/zinc/01/11/14/222011114.db2.gz HVSPBLQCJDFAPD-UHFFFAOYSA-N -1 3 379.380 2.627 20 5 GFBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000053524546 222011116 /nfs/dbraw/zinc/01/11/16/222011116.db2.gz HVSPBLQCJDFAPD-UHFFFAOYSA-N -1 3 379.380 2.627 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116367164 551213468 /nfs/dbraw/zinc/21/34/68/551213468.db2.gz IAFNDVSXGYEPBP-UHFFFAOYSA-N -1 3 383.451 2.808 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000123605226 551307364 /nfs/dbraw/zinc/30/73/64/551307364.db2.gz MNDDVXSIHRZUNT-LBPRGKRZSA-N -1 3 386.455 2.901 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)Cc1ccccc1 ZINC000129291231 551355463 /nfs/dbraw/zinc/35/54/63/551355463.db2.gz YPUPVWYFDKADRH-XHDPSFHLSA-N -1 3 384.841 2.519 20 5 GFBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc21 ZINC000130034197 551361374 /nfs/dbraw/zinc/36/13/74/551361374.db2.gz IJMFOFSEJCWMFE-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM CN(C)Cc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146569342 551397575 /nfs/dbraw/zinc/39/75/75/551397575.db2.gz CHITVTLRVGKINX-UHFFFAOYSA-N -1 3 383.857 2.788 20 5 GFBDHM Cc1csc([C@H]([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000178953413 552180259 /nfs/dbraw/zinc/18/02/59/552180259.db2.gz CDRYQOJBUAMONT-OAHLLOKOSA-N -1 3 381.479 2.973 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000183791389 552319226 /nfs/dbraw/zinc/31/92/26/552319226.db2.gz ABRHSWLHPIBDPY-INIZCTEOSA-N -1 3 384.841 2.575 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000186318942 552384839 /nfs/dbraw/zinc/38/48/39/552384839.db2.gz VNRQDACKVIZUHE-UHFFFAOYSA-N -1 3 380.806 2.936 20 5 GFBDHM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000193292760 552988895 /nfs/dbraw/zinc/98/88/95/552988895.db2.gz KYBXADYGLAGPTL-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1Br)c1cccc([O-])c1 ZINC000301543382 563406545 /nfs/dbraw/zinc/40/65/45/563406545.db2.gz OOKRFWQVTUESNE-UHFFFAOYSA-N -1 3 395.213 2.690 20 5 GFBDHM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440400274 563740708 /nfs/dbraw/zinc/74/07/08/563740708.db2.gz VVHYEDHHMAVWGL-UHFFFAOYSA-N -1 3 378.142 2.587 20 5 GFBDHM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440400274 563740712 /nfs/dbraw/zinc/74/07/12/563740712.db2.gz VVHYEDHHMAVWGL-UHFFFAOYSA-N -1 3 378.142 2.587 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442916391 563784358 /nfs/dbraw/zinc/78/43/58/563784358.db2.gz XTMRZWYWVPUGLT-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(O)cc2)c(Br)c1 ZINC000443128093 563793258 /nfs/dbraw/zinc/79/32/58/563793258.db2.gz CXOKOZLNJLGOEE-UHFFFAOYSA-N -1 3 387.211 2.541 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(F)ccc3Cl)nc2c1 ZINC000443980892 563817659 /nfs/dbraw/zinc/81/76/59/563817659.db2.gz NTZBDCPSNWSCIB-UHFFFAOYSA-N -1 3 384.776 2.742 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCS1 ZINC000447034772 563872607 /nfs/dbraw/zinc/87/26/07/563872607.db2.gz VGLMEKUPVYJBPL-LBPRGKRZSA-N -1 3 395.300 2.921 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000451658590 564336888 /nfs/dbraw/zinc/33/68/88/564336888.db2.gz BCTMFIZLNLUIPG-CQSZACIVSA-N -1 3 384.841 2.784 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511337723 564368470 /nfs/dbraw/zinc/36/84/70/564368470.db2.gz BLYLETQEZFPKCY-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000572168277 564583251 /nfs/dbraw/zinc/58/32/51/564583251.db2.gz OPZCCZZNISKYEZ-GFCCVEGCSA-N -1 3 376.481 2.756 20 5 GFBDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132536 564677683 /nfs/dbraw/zinc/67/76/83/564677683.db2.gz IIGOPISPOQHALD-NHYWBVRUSA-N -1 3 376.862 2.978 20 5 GFBDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160311 564678594 /nfs/dbraw/zinc/67/85/94/564678594.db2.gz XTPPDOVLTAPBPO-IAQYHMDHSA-N -1 3 376.862 2.978 20 5 GFBDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160307 564678679 /nfs/dbraw/zinc/67/86/79/564678679.db2.gz XTPPDOVLTAPBPO-ABAIWWIYSA-N -1 3 376.862 2.978 20 5 GFBDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459556564 564750418 /nfs/dbraw/zinc/75/04/18/564750418.db2.gz AKZHPADOQKZJEP-UHFFFAOYSA-N -1 3 393.241 2.780 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000489989321 564759477 /nfs/dbraw/zinc/75/94/77/564759477.db2.gz FOYJUCGSBHSDEZ-UHFFFAOYSA-N -1 3 399.213 2.989 20 5 GFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491587020 564793480 /nfs/dbraw/zinc/79/34/80/564793480.db2.gz UBBCMSREGGPKFI-DGCLKSJQSA-N -1 3 378.447 2.695 20 5 GFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccncc2Br)cc1[N+](=O)[O-] ZINC000493131568 564806699 /nfs/dbraw/zinc/80/66/99/564806699.db2.gz KGAUQSRAFSTNRB-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CCC(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493381350 564806797 /nfs/dbraw/zinc/80/67/97/564806797.db2.gz GXQZXNZNAIWSJS-UHFFFAOYSA-N -1 3 395.275 2.999 20 5 GFBDHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000494326006 564824537 /nfs/dbraw/zinc/82/45/37/564824537.db2.gz GLASSFFXDKCBTG-GFCCVEGCSA-N -1 3 390.483 2.755 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(CC2CCCC2)C1 ZINC000462582269 564850378 /nfs/dbraw/zinc/85/03/78/564850378.db2.gz AVSOIABLOWAVIC-ZDUSSCGKSA-N -1 3 387.889 2.791 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000583226529 564881617 /nfs/dbraw/zinc/88/16/17/564881617.db2.gz SRAXRBLXJKFCMP-LBPRGKRZSA-N -1 3 386.788 2.669 20 5 GFBDHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)n1 ZINC000467084701 564955197 /nfs/dbraw/zinc/95/51/97/564955197.db2.gz KSZVJKSZDAEUNI-UHFFFAOYSA-N -1 3 386.455 2.661 20 5 GFBDHM COc1ccc(OCCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467423624 564963495 /nfs/dbraw/zinc/96/34/95/564963495.db2.gz CNBQCLVAWGEZMI-UHFFFAOYSA-N -1 3 386.451 2.721 20 5 GFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000536607731 565042757 /nfs/dbraw/zinc/04/27/57/565042757.db2.gz JCWLBVNHZOSHCR-RKDXNWHRSA-N -1 3 393.259 2.592 20 5 GFBDHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083886 565254606 /nfs/dbraw/zinc/25/46/06/565254606.db2.gz RHERQMFMDXLKJO-KOLCDFICSA-N -1 3 384.376 2.689 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000619491202 565344746 /nfs/dbraw/zinc/34/47/46/565344746.db2.gz RPASUTIQTJITKF-LLVKDONJSA-N -1 3 384.797 2.669 20 5 GFBDHM CC(C)(C)N1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790468 565421261 /nfs/dbraw/zinc/42/12/61/565421261.db2.gz LLNRWOYZLCFCPP-NSHDSACASA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594848562 565429575 /nfs/dbraw/zinc/42/95/75/565429575.db2.gz FQTBLBIMDBFUPK-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OCC ZINC000599367991 565672933 /nfs/dbraw/zinc/67/29/33/565672933.db2.gz QFFNCCYGOOBTTD-LLVKDONJSA-N -1 3 395.275 2.841 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000609418285 566038797 /nfs/dbraw/zinc/03/87/97/566038797.db2.gz KXOJWKVEPMPUJN-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000611469331 566131136 /nfs/dbraw/zinc/13/11/36/566131136.db2.gz JXMBSARDVYXTFO-TVQRCGJNSA-N -1 3 393.259 2.593 20 5 GFBDHM COCCOCc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000611918956 566144170 /nfs/dbraw/zinc/14/41/70/566144170.db2.gz AWNYGGYSENKAPE-UHFFFAOYSA-N -1 3 386.451 2.966 20 5 GFBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737980421 598862029 /nfs/dbraw/zinc/86/20/29/598862029.db2.gz FCWFCEMWAQRVHF-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737980421 598862031 /nfs/dbraw/zinc/86/20/31/598862031.db2.gz FCWFCEMWAQRVHF-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821165387 599053323 /nfs/dbraw/zinc/05/33/23/599053323.db2.gz QNUGOAHKSYLHJG-UHFFFAOYSA-N -1 3 395.423 2.857 20 5 GFBDHM CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821165387 599053326 /nfs/dbraw/zinc/05/33/26/599053326.db2.gz QNUGOAHKSYLHJG-UHFFFAOYSA-N -1 3 395.423 2.857 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959839 599207495 /nfs/dbraw/zinc/20/74/95/599207495.db2.gz CDNBRMLCEROFTL-GOSISDBHSA-N -1 3 396.432 2.592 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959839 599207497 /nfs/dbraw/zinc/20/74/97/599207497.db2.gz CDNBRMLCEROFTL-GOSISDBHSA-N -1 3 396.432 2.592 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000738383954 599223180 /nfs/dbraw/zinc/22/31/80/599223180.db2.gz YDVRCAKZEFPJKD-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000738383954 599223182 /nfs/dbraw/zinc/22/31/82/599223182.db2.gz YDVRCAKZEFPJKD-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000736486986 599275591 /nfs/dbraw/zinc/27/55/91/599275591.db2.gz ALCSRHQFYBFPNZ-UHFFFAOYSA-N -1 3 397.395 2.614 20 5 GFBDHM CCCN(CC(=O)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821088430 607328265 /nfs/dbraw/zinc/32/82/65/607328265.db2.gz NPHNKIVUDJADQJ-UHFFFAOYSA-N -1 3 395.423 2.938 20 5 GFBDHM CCCN(CC(=O)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821088430 607328266 /nfs/dbraw/zinc/32/82/66/607328266.db2.gz NPHNKIVUDJADQJ-UHFFFAOYSA-N -1 3 395.423 2.938 20 5 GFBDHM Cc1c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737220026 598576569 /nfs/dbraw/zinc/57/65/69/598576569.db2.gz VBCKWEAZSRFHKU-KRWDZBQOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000738370924 598613584 /nfs/dbraw/zinc/61/35/84/598613584.db2.gz SNVOQJJENCHPEL-CQSZACIVSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000738370924 598613586 /nfs/dbraw/zinc/61/35/86/598613586.db2.gz SNVOQJJENCHPEL-CQSZACIVSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738375364 598679028 /nfs/dbraw/zinc/67/90/28/598679028.db2.gz YWVYCXOXXWEUDF-LBPRGKRZSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738375364 598679030 /nfs/dbraw/zinc/67/90/30/598679030.db2.gz YWVYCXOXXWEUDF-LBPRGKRZSA-N -1 3 396.194 2.622 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738235401 598710210 /nfs/dbraw/zinc/71/02/10/598710210.db2.gz LDERNWYFMMQWSR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738235401 598710212 /nfs/dbraw/zinc/71/02/12/598710212.db2.gz LDERNWYFMMQWSR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737372221 598808778 /nfs/dbraw/zinc/80/87/78/598808778.db2.gz BICZCRSZADVPMT-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM COc1ccc(OC)c(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000737108748 598814807 /nfs/dbraw/zinc/81/48/07/598814807.db2.gz BIJUGKGHLPVFTR-UHFFFAOYSA-N -1 3 396.407 2.961 20 5 GFBDHM COc1ccc(OC)c(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000737108748 598814808 /nfs/dbraw/zinc/81/48/08/598814808.db2.gz BIJUGKGHLPVFTR-UHFFFAOYSA-N -1 3 396.407 2.961 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742567 599305302 /nfs/dbraw/zinc/30/53/02/599305302.db2.gz OUGCUYAAYKKMJO-UHFFFAOYSA-N -1 3 379.380 2.626 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742567 599305305 /nfs/dbraw/zinc/30/53/05/599305305.db2.gz OUGCUYAAYKKMJO-UHFFFAOYSA-N -1 3 379.380 2.626 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140649 599323415 /nfs/dbraw/zinc/32/34/15/599323415.db2.gz YRWSSBYCZBWGKK-NSHDSACASA-N -1 3 395.379 2.905 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140649 599323417 /nfs/dbraw/zinc/32/34/17/599323417.db2.gz YRWSSBYCZBWGKK-NSHDSACASA-N -1 3 395.379 2.905 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737853754 599375587 /nfs/dbraw/zinc/37/55/87/599375587.db2.gz UVLNNOQYMVVREV-UHFFFAOYSA-N -1 3 378.392 2.687 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737853754 599375590 /nfs/dbraw/zinc/37/55/90/599375590.db2.gz UVLNNOQYMVVREV-UHFFFAOYSA-N -1 3 378.392 2.687 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000821846249 599477979 /nfs/dbraw/zinc/47/79/79/599477979.db2.gz OOFKBIVXVMXIGN-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000821846249 599477981 /nfs/dbraw/zinc/47/79/81/599477981.db2.gz OOFKBIVXVMXIGN-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccc(O)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823645905 599504896 /nfs/dbraw/zinc/50/48/96/599504896.db2.gz VNEBWXLEMTWPMT-UHFFFAOYSA-N -1 3 377.364 2.683 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCc3cccc(O)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823645905 599504898 /nfs/dbraw/zinc/50/48/98/599504898.db2.gz VNEBWXLEMTWPMT-UHFFFAOYSA-N -1 3 377.364 2.683 20 5 GFBDHM Cc1nnc(-c2cccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c2)n1C ZINC000822505800 607469890 /nfs/dbraw/zinc/46/98/90/607469890.db2.gz WVBPCRRFTWWSFK-UHFFFAOYSA-N -1 3 377.368 2.622 20 5 GFBDHM Cc1nnc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c2)n1C ZINC000822505800 607469891 /nfs/dbraw/zinc/46/98/91/607469891.db2.gz WVBPCRRFTWWSFK-UHFFFAOYSA-N -1 3 377.368 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826206245 607599218 /nfs/dbraw/zinc/59/92/18/607599218.db2.gz KADDPGJDYOLTME-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826206245 607599220 /nfs/dbraw/zinc/59/92/20/607599220.db2.gz KADDPGJDYOLTME-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1nnn[n-]1 ZINC000826206037 607602696 /nfs/dbraw/zinc/60/26/96/607602696.db2.gz ZNHNOAPANRWQIZ-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1nn[n-]n1 ZINC000826206037 607602698 /nfs/dbraw/zinc/60/26/98/607602698.db2.gz ZNHNOAPANRWQIZ-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000826200453 607620602 /nfs/dbraw/zinc/62/06/02/607620602.db2.gz QMMJLVBMNYYIAF-UHFFFAOYSA-N -1 3 397.395 2.722 20 5 GFBDHM COc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000826200453 607620603 /nfs/dbraw/zinc/62/06/03/607620603.db2.gz QMMJLVBMNYYIAF-UHFFFAOYSA-N -1 3 397.395 2.722 20 5 GFBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616892 606043786 /nfs/dbraw/zinc/04/37/86/606043786.db2.gz MKEYKPBJXGEMNL-UHFFFAOYSA-N -1 3 385.331 2.887 20 5 GFBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616892 606043792 /nfs/dbraw/zinc/04/37/92/606043792.db2.gz MKEYKPBJXGEMNL-UHFFFAOYSA-N -1 3 385.331 2.887 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823426571 606150988 /nfs/dbraw/zinc/15/09/88/606150988.db2.gz KEGICVZBIUGSSG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823426571 606150989 /nfs/dbraw/zinc/15/09/89/606150989.db2.gz KEGICVZBIUGSSG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822194957 606243779 /nfs/dbraw/zinc/24/37/79/606243779.db2.gz BNENYGZEOTUBNZ-GFCCVEGCSA-N -1 3 399.436 2.671 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822194957 606243781 /nfs/dbraw/zinc/24/37/81/606243781.db2.gz BNENYGZEOTUBNZ-GFCCVEGCSA-N -1 3 399.436 2.671 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823082400 606267458 /nfs/dbraw/zinc/26/74/58/606267458.db2.gz HAXWCCLWPSKUNR-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823082400 606267460 /nfs/dbraw/zinc/26/74/60/606267460.db2.gz HAXWCCLWPSKUNR-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820496661 606339057 /nfs/dbraw/zinc/33/90/57/606339057.db2.gz NTERNNHFWCTWGQ-GFCCVEGCSA-N -1 3 382.380 2.881 20 5 GFBDHM C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820496661 606339058 /nfs/dbraw/zinc/33/90/58/606339058.db2.gz NTERNNHFWCTWGQ-GFCCVEGCSA-N -1 3 382.380 2.881 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822271190 606656015 /nfs/dbraw/zinc/65/60/15/606656015.db2.gz PXRQNDQZSUQUMU-LBPRGKRZSA-N -1 3 382.380 2.798 20 5 GFBDHM Cc1nc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000822450016 606708738 /nfs/dbraw/zinc/70/87/38/606708738.db2.gz ZBNUOIMPLMOECB-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823421851 606995984 /nfs/dbraw/zinc/99/59/84/606995984.db2.gz ISAQOPVWNCDNTG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823421851 606995985 /nfs/dbraw/zinc/99/59/85/606995985.db2.gz ISAQOPVWNCDNTG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1nnc(-c2ccccc2)s1 ZINC000823630302 607118168 /nfs/dbraw/zinc/11/81/68/607118168.db2.gz WLSKUIJSFWQUPV-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1nnc(-c2ccccc2)s1 ZINC000823630302 607118170 /nfs/dbraw/zinc/11/81/70/607118170.db2.gz WLSKUIJSFWQUPV-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000823625182 607163489 /nfs/dbraw/zinc/16/34/89/607163489.db2.gz SMBGVEXFXRAPJZ-UHFFFAOYSA-N -1 3 391.395 2.990 20 5 GFBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000823625182 607163490 /nfs/dbraw/zinc/16/34/90/607163490.db2.gz SMBGVEXFXRAPJZ-UHFFFAOYSA-N -1 3 391.395 2.990 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822929420 607193496 /nfs/dbraw/zinc/19/34/96/607193496.db2.gz UEAGVLRZLZWJBH-DHZHZOJOSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822929420 607193497 /nfs/dbraw/zinc/19/34/97/607193497.db2.gz UEAGVLRZLZWJBH-DHZHZOJOSA-N -1 3 390.403 2.979 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000825796415 608177825 /nfs/dbraw/zinc/17/78/25/608177825.db2.gz FRIIEIIWMYCSEV-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000825796415 608177826 /nfs/dbraw/zinc/17/78/26/608177826.db2.gz FRIIEIIWMYCSEV-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM C[C@@H](c1ccccn1)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824770239 608375319 /nfs/dbraw/zinc/37/53/19/608375319.db2.gz HHBMULPMZOKFEG-NSHDSACASA-N -1 3 376.380 2.916 20 5 GFBDHM C[C@@H](c1ccccn1)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824770239 608375320 /nfs/dbraw/zinc/37/53/20/608375320.db2.gz HHBMULPMZOKFEG-NSHDSACASA-N -1 3 376.380 2.916 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826465791 608448916 /nfs/dbraw/zinc/44/89/16/608448916.db2.gz CGUMEPYGMUQPIU-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826465791 608448917 /nfs/dbraw/zinc/44/89/17/608448917.db2.gz CGUMEPYGMUQPIU-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826263886 608799566 /nfs/dbraw/zinc/79/95/66/608799566.db2.gz UNKCPZSLZPNLKH-UHFFFAOYSA-N -1 3 384.371 2.769 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826263886 608799569 /nfs/dbraw/zinc/79/95/69/608799569.db2.gz UNKCPZSLZPNLKH-UHFFFAOYSA-N -1 3 384.371 2.769 20 5 GFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459805 609294027 /nfs/dbraw/zinc/29/40/27/609294027.db2.gz ZXAYQYNPFYCDOV-UHFFFAOYSA-N -1 3 384.743 2.557 20 5 GFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826459805 609294029 /nfs/dbraw/zinc/29/40/29/609294029.db2.gz ZXAYQYNPFYCDOV-UHFFFAOYSA-N -1 3 384.743 2.557 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](OC(F)F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499349 609317606 /nfs/dbraw/zinc/31/76/06/609317606.db2.gz FRCCYKVWBHJWTC-JTQLQIEISA-N -1 3 391.338 2.531 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](OC(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499349 609317608 /nfs/dbraw/zinc/31/76/08/609317608.db2.gz FRCCYKVWBHJWTC-JTQLQIEISA-N -1 3 391.338 2.531 20 5 GFBDHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942814 609477448 /nfs/dbraw/zinc/47/74/48/609477448.db2.gz JRVSIHGBTBCUNL-JLHYYAGUSA-N -1 3 378.392 2.837 20 5 GFBDHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942814 609477450 /nfs/dbraw/zinc/47/74/50/609477450.db2.gz JRVSIHGBTBCUNL-JLHYYAGUSA-N -1 3 378.392 2.837 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029966755 654581058 /nfs/dbraw/zinc/58/10/58/654581058.db2.gz MJFBEGQZJASWHX-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000267648848 654940194 /nfs/dbraw/zinc/94/01/94/654940194.db2.gz UBHSQIIVHADLDU-MRVPVSSYSA-N -1 3 391.858 2.891 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)c(F)c1 ZINC000135020873 655007752 /nfs/dbraw/zinc/00/77/52/655007752.db2.gz QMDBPESPOLWSII-CYBMUJFWSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1 ZINC000273622916 655151292 /nfs/dbraw/zinc/15/12/92/655151292.db2.gz RAQMVJZDKVICNW-SSDOTTSWSA-N -1 3 376.847 2.756 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000276654624 655282365 /nfs/dbraw/zinc/28/23/65/655282365.db2.gz DJJHCNPNDACBGH-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)c(F)c1 ZINC000119336305 655299464 /nfs/dbraw/zinc/29/94/64/655299464.db2.gz UQVJVGKDUYWSQQ-UHFFFAOYSA-N -1 3 385.442 2.743 20 5 GFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000181613909 655339217 /nfs/dbraw/zinc/33/92/17/655339217.db2.gz WKKLKOAGKLGAFQ-QMMMGPOBSA-N -1 3 383.289 2.777 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1Br ZINC000759169092 655949911 /nfs/dbraw/zinc/94/99/11/655949911.db2.gz KZJBMUDEZNELMP-CLFYSBASSA-N -1 3 399.226 2.670 20 5 GFBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798227361 659086626 /nfs/dbraw/zinc/08/66/26/659086626.db2.gz OPARASIMMGOREA-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801715237 659419199 /nfs/dbraw/zinc/41/91/99/659419199.db2.gz BMNPPFGLJANSIC-CYBMUJFWSA-N -1 3 389.886 2.891 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1COC2(CCC2)C1 ZINC000849448353 661727326 /nfs/dbraw/zinc/72/73/26/661727326.db2.gz AKDLSDKURPUKIY-JTQLQIEISA-N -1 3 380.344 2.604 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)ccc1Br ZINC000856747401 662040871 /nfs/dbraw/zinc/04/08/71/662040871.db2.gz ICTLUZJZCJQWQQ-ZETCQYMHSA-N -1 3 385.186 2.681 20 5 GFBDHM O=c1[n-]ccc(N2CCC[C@](O)(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000896317112 663550913 /nfs/dbraw/zinc/55/09/13/663550913.db2.gz JILIAOODCPRKOR-MRXNPFEDSA-N -1 3 394.225 2.946 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])s1 ZINC000473521114 532594625 /nfs/dbraw/zinc/59/46/25/532594625.db2.gz QSPAKXIECURGFX-UHFFFAOYSA-N -1 3 378.435 2.725 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(Br)s1 ZINC000014210422 551110265 /nfs/dbraw/zinc/11/02/65/551110265.db2.gz JEXDISYKAXKIEX-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000156304904 551519320 /nfs/dbraw/zinc/51/93/20/551519320.db2.gz LGUBWZBIPGDOKG-VIFPVBQESA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC000162893964 551614219 /nfs/dbraw/zinc/61/42/19/551614219.db2.gz MMZFHGBMOKPBNE-RKDXNWHRSA-N -1 3 382.360 2.848 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000173468841 552086060 /nfs/dbraw/zinc/08/60/60/552086060.db2.gz KQQVWAXMOSBQHF-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000176726234 552145025 /nfs/dbraw/zinc/14/50/25/552145025.db2.gz RVRCPPZWHBUSRL-UHFFFAOYSA-N -1 3 380.760 2.627 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c(Cl)c1 ZINC000182489295 552285496 /nfs/dbraw/zinc/28/54/96/552285496.db2.gz NTIGSJXFYMGGOA-UHFFFAOYSA-N -1 3 376.862 2.859 20 5 GFBDHM Cc1cnccc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000188840353 552456638 /nfs/dbraw/zinc/45/66/38/552456638.db2.gz LQZVSQVEQKHHDC-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539350 563216697 /nfs/dbraw/zinc/21/66/97/563216697.db2.gz IAPKAXXKRVGUHP-LRDDRELGSA-N -1 3 381.479 2.628 20 5 GFBDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725025 563279506 /nfs/dbraw/zinc/27/95/06/563279506.db2.gz LLYBNDSQEXOZIO-ZYHUDNBSSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c(Cl)cc1Cl ZINC000279500999 563298258 /nfs/dbraw/zinc/29/82/58/563298258.db2.gz QKCWOYOLSQNPIY-UHFFFAOYSA-N -1 3 394.280 2.807 20 5 GFBDHM COc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000432014415 563573162 /nfs/dbraw/zinc/57/31/62/563573162.db2.gz VPZIPKRNCRBQBI-UHFFFAOYSA-N -1 3 395.209 2.930 20 5 GFBDHM COc1cccc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)c1[N+](=O)[O-] ZINC000435647349 563655934 /nfs/dbraw/zinc/65/59/34/563655934.db2.gz RHVSCYCCOUWUKT-UHFFFAOYSA-N -1 3 384.797 2.913 20 5 GFBDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394784 563822568 /nfs/dbraw/zinc/82/25/68/563822568.db2.gz ZLKFYZROBGVSBN-KOLCDFICSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418074 563825917 /nfs/dbraw/zinc/82/59/17/563825917.db2.gz ZOENCDVXHSZYPV-MWLCHTKSSA-N -1 3 384.376 2.689 20 5 GFBDHM CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000416421031 563826703 /nfs/dbraw/zinc/82/67/03/563826703.db2.gz AMZBHOIUFPLQEG-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030433 563872584 /nfs/dbraw/zinc/87/25/84/563872584.db2.gz UVVAUOUDJABNFJ-VXGBXAGGSA-N -1 3 382.360 2.705 20 5 GFBDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931731 563891296 /nfs/dbraw/zinc/89/12/96/563891296.db2.gz OYFLFLCNIUGKEK-CQSZACIVSA-N -1 3 375.878 2.647 20 5 GFBDHM COc1cc(CC[N-]S(=O)(=O)c2cc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000450999380 564261259 /nfs/dbraw/zinc/26/12/59/564261259.db2.gz CHVUEOIUMRBORN-UHFFFAOYSA-N -1 3 386.451 2.503 20 5 GFBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474183715 564268494 /nfs/dbraw/zinc/26/84/94/564268494.db2.gz IXCPTUHEGAFUAH-CQSZACIVSA-N -1 3 384.841 2.784 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000541832054 564291476 /nfs/dbraw/zinc/29/14/76/564291476.db2.gz XSXDCMDLTXPVGV-UHFFFAOYSA-N -1 3 382.825 2.970 20 5 GFBDHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ncc1Br ZINC000476982159 564361078 /nfs/dbraw/zinc/36/10/78/564361078.db2.gz RBIVVMZFKYWPRU-UHFFFAOYSA-N -1 3 392.169 2.890 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000451957641 564372418 /nfs/dbraw/zinc/37/24/18/564372418.db2.gz FRQKINKWOJYELD-BXUZGUMPSA-N -1 3 383.451 2.558 20 5 GFBDHM Cc1c(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000480864171 564492510 /nfs/dbraw/zinc/49/25/10/564492510.db2.gz FLVOWLYISMOOBV-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251304 564829425 /nfs/dbraw/zinc/82/94/25/564829425.db2.gz ABJPGQHAYYFSBC-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000462523663 564845640 /nfs/dbraw/zinc/84/56/40/564845640.db2.gz FJVPYWAXWPEOKC-RYUDHWBXSA-N -1 3 394.280 2.807 20 5 GFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000532614471 564941699 /nfs/dbraw/zinc/94/16/99/564941699.db2.gz RWQCJWNYMUDQCM-UHFFFAOYSA-N -1 3 389.227 2.780 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(F)ccc1SC ZINC000466879514 564949331 /nfs/dbraw/zinc/94/93/31/564949331.db2.gz ZAXDUBDMLZZRPQ-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047025 564954583 /nfs/dbraw/zinc/95/45/83/564954583.db2.gz AKYINXSNROLUNV-SDDRHHMPSA-N -1 3 375.516 2.609 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000467069167 564955516 /nfs/dbraw/zinc/95/55/16/564955516.db2.gz JCFFTAJJFUZGBX-KLVQOETNSA-N -1 3 388.492 2.742 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143350 565005853 /nfs/dbraw/zinc/00/58/53/565005853.db2.gz RTTDXHIBECYTKW-FNODVLLQSA-N -1 3 382.463 2.680 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591327538 565224147 /nfs/dbraw/zinc/22/41/47/565224147.db2.gz OXLRUYNVQMFYHJ-DOFRTFSJSA-N -1 3 382.360 2.848 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486811 565395572 /nfs/dbraw/zinc/39/55/72/565395572.db2.gz IYASIUNNGKHVEV-WCQYABFASA-N -1 3 382.360 2.682 20 5 GFBDHM COC1CC(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594790123 565421700 /nfs/dbraw/zinc/42/17/00/565421700.db2.gz RZFHCJAYZDCWCC-UHFFFAOYSA-N -1 3 382.360 2.707 20 5 GFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818145 565425209 /nfs/dbraw/zinc/42/52/09/565425209.db2.gz IGFTYCHIVJLCOE-ZDUSSCGKSA-N -1 3 382.360 2.763 20 5 GFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853318 565430553 /nfs/dbraw/zinc/43/05/53/565430553.db2.gz XLSZDHQYMACDDG-BXKDBHETSA-N -1 3 393.259 2.593 20 5 GFBDHM Cn1cc(Br)c(=NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[n-]1 ZINC000603043609 565882718 /nfs/dbraw/zinc/88/27/18/565882718.db2.gz LTMWXUYSBZHQIS-UHFFFAOYSA-N -1 3 394.229 2.709 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000609598213 566046365 /nfs/dbraw/zinc/04/63/65/566046365.db2.gz UEKYDIUOBKKGOB-OAHLLOKOSA-N -1 3 382.825 2.841 20 5 GFBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000610220751 566071304 /nfs/dbraw/zinc/07/13/04/566071304.db2.gz MPHYEHHAWSXZJJ-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610231470 566071386 /nfs/dbraw/zinc/07/13/86/566071386.db2.gz ZNJDOJCVFQXFMQ-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610231470 566071390 /nfs/dbraw/zinc/07/13/90/566071390.db2.gz ZNJDOJCVFQXFMQ-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1 ZINC000610785461 566099220 /nfs/dbraw/zinc/09/92/20/566099220.db2.gz VQZWDSXCGBLLBM-QMMMGPOBSA-N -1 3 385.186 2.823 20 5 GFBDHM Cc1c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737209421 598882190 /nfs/dbraw/zinc/88/21/90/598882190.db2.gz OPHKQICQFOTNJQ-NSHDSACASA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737209421 598882192 /nfs/dbraw/zinc/88/21/92/598882192.db2.gz OPHKQICQFOTNJQ-NSHDSACASA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000737225709 598995029 /nfs/dbraw/zinc/99/50/29/598995029.db2.gz HEEZFZLSATXDNZ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000737225709 598995030 /nfs/dbraw/zinc/99/50/30/598995030.db2.gz HEEZFZLSATXDNZ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1c(F)cccc1Cl ZINC000738357113 599044706 /nfs/dbraw/zinc/04/47/06/599044706.db2.gz BUAWZPAEAFVBPR-CYBMUJFWSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1c(F)cccc1Cl ZINC000738357113 599044710 /nfs/dbraw/zinc/04/47/10/599044710.db2.gz BUAWZPAEAFVBPR-CYBMUJFWSA-N -1 3 378.751 2.713 20 5 GFBDHM Cc1noc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)n1 ZINC000737545302 599064678 /nfs/dbraw/zinc/06/46/78/599064678.db2.gz DWSHCQCWFWOIAM-UHFFFAOYSA-N -1 3 395.335 2.838 20 5 GFBDHM Cc1noc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)n1 ZINC000737545302 599064681 /nfs/dbraw/zinc/06/46/81/599064681.db2.gz DWSHCQCWFWOIAM-UHFFFAOYSA-N -1 3 395.335 2.838 20 5 GFBDHM CC(C)(C)OC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819946952 599082622 /nfs/dbraw/zinc/08/26/22/599082622.db2.gz YARIUPRGORBKEF-UHFFFAOYSA-N -1 3 397.395 2.737 20 5 GFBDHM CC(C)(C)OC(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819946952 599082623 /nfs/dbraw/zinc/08/26/23/599082623.db2.gz YARIUPRGORBKEF-UHFFFAOYSA-N -1 3 397.395 2.737 20 5 GFBDHM CCc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c([N+](=O)[O-])c1 ZINC000736691130 599166670 /nfs/dbraw/zinc/16/66/70/599166670.db2.gz OPHZFTIVBZYKSX-UHFFFAOYSA-N -1 3 393.363 2.966 20 5 GFBDHM CCc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000736691130 599166673 /nfs/dbraw/zinc/16/66/73/599166673.db2.gz OPHZFTIVBZYKSX-UHFFFAOYSA-N -1 3 393.363 2.966 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737968013 599188459 /nfs/dbraw/zinc/18/84/59/599188459.db2.gz CNAFGXYYMDAMCL-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737968013 599188461 /nfs/dbraw/zinc/18/84/61/599188461.db2.gz CNAFGXYYMDAMCL-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM Cc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822110162 607267669 /nfs/dbraw/zinc/26/76/69/607267669.db2.gz YBNGQSRTTMNLKO-UHFFFAOYSA-N -1 3 379.380 2.910 20 5 GFBDHM Cc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822110162 607267670 /nfs/dbraw/zinc/26/76/70/607267670.db2.gz YBNGQSRTTMNLKO-UHFFFAOYSA-N -1 3 379.380 2.910 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)COC4)cc(-c3nnn[n-]3)c2c1 ZINC000823645587 607305888 /nfs/dbraw/zinc/30/58/88/607305888.db2.gz UHZOPBNRAXJEPJ-UHFFFAOYSA-N -1 3 389.375 2.965 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)COC4)cc(-c3nn[n-]n3)c2c1 ZINC000823645587 607305889 /nfs/dbraw/zinc/30/58/89/607305889.db2.gz UHZOPBNRAXJEPJ-UHFFFAOYSA-N -1 3 389.375 2.965 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822110223 607321972 /nfs/dbraw/zinc/32/19/72/607321972.db2.gz ZYHIRJJCGDVZAX-UHFFFAOYSA-N -1 3 383.324 2.552 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822110223 607321973 /nfs/dbraw/zinc/32/19/73/607321973.db2.gz ZYHIRJJCGDVZAX-UHFFFAOYSA-N -1 3 383.324 2.552 20 5 GFBDHM COc1cc(CCNc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000737045663 598235633 /nfs/dbraw/zinc/23/56/33/598235633.db2.gz KKVVFMYPOMAFKD-UHFFFAOYSA-N -1 3 388.359 2.586 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737411837 598368243 /nfs/dbraw/zinc/36/82/43/598368243.db2.gz QDKSNNBBTSXCGJ-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000738373395 598422690 /nfs/dbraw/zinc/42/26/90/598422690.db2.gz BRDLSSHOARJSSK-UHFFFAOYSA-N -1 3 386.441 2.550 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCCc2nc3c(s2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000738373395 598422692 /nfs/dbraw/zinc/42/26/92/598422692.db2.gz BRDLSSHOARJSSK-UHFFFAOYSA-N -1 3 386.441 2.550 20 5 GFBDHM COc1ccc(COCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737098306 598456336 /nfs/dbraw/zinc/45/63/36/598456336.db2.gz UJROQNMBNWVEJS-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM COc1ccc(COCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737098306 598456337 /nfs/dbraw/zinc/45/63/37/598456337.db2.gz UJROQNMBNWVEJS-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(CCc3ccc(O)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368609 598498894 /nfs/dbraw/zinc/49/88/94/598498894.db2.gz FVIYKWICKHQCAD-UHFFFAOYSA-N -1 3 395.423 2.725 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(CCc3ccc(O)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368609 598498896 /nfs/dbraw/zinc/49/88/96/598498896.db2.gz FVIYKWICKHQCAD-UHFFFAOYSA-N -1 3 395.423 2.725 20 5 GFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736482168 598568163 /nfs/dbraw/zinc/56/81/63/598568163.db2.gz VYAVBORPQKKFQC-UHFFFAOYSA-N -1 3 384.371 2.966 20 5 GFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736482168 598568165 /nfs/dbraw/zinc/56/81/65/598568165.db2.gz VYAVBORPQKKFQC-UHFFFAOYSA-N -1 3 384.371 2.966 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736581031 598703119 /nfs/dbraw/zinc/70/31/19/598703119.db2.gz LJCVJXKZKONQGJ-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736581031 598703121 /nfs/dbraw/zinc/70/31/21/598703121.db2.gz LJCVJXKZKONQGJ-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM Nc1sc2c(c1-c1nnn[n-]1)CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000737775977 598743568 /nfs/dbraw/zinc/74/35/68/598743568.db2.gz FKFHXDPGHAZKPP-UHFFFAOYSA-N -1 3 394.420 2.530 20 5 GFBDHM Nc1sc2c(c1-c1nn[n-]n1)CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000737775977 598743569 /nfs/dbraw/zinc/74/35/69/598743569.db2.gz FKFHXDPGHAZKPP-UHFFFAOYSA-N -1 3 394.420 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cn4ccccc4c3-c3nnn[n-]3)c2)cc1 ZINC000738360491 598802990 /nfs/dbraw/zinc/80/29/90/598802990.db2.gz QHXWICVIAZZLRH-UHFFFAOYSA-N -1 3 386.375 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cn4ccccc4c3-c3nn[n-]n3)c2)cc1 ZINC000738360491 598802992 /nfs/dbraw/zinc/80/29/92/598802992.db2.gz QHXWICVIAZZLRH-UHFFFAOYSA-N -1 3 386.375 2.939 20 5 GFBDHM CC(C)(C)c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819957625 599299010 /nfs/dbraw/zinc/29/90/10/599299010.db2.gz BVYQFZZBEFJQSG-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM CC(C)(C)c1ccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819957625 599299012 /nfs/dbraw/zinc/29/90/12/599299012.db2.gz BVYQFZZBEFJQSG-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821400629 599402146 /nfs/dbraw/zinc/40/21/46/599402146.db2.gz MRKBVJXFSQHXQN-SNVBAGLBSA-N -1 3 397.395 2.504 20 5 GFBDHM CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821400629 599402148 /nfs/dbraw/zinc/40/21/48/599402148.db2.gz MRKBVJXFSQHXQN-SNVBAGLBSA-N -1 3 397.395 2.504 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351609 599422502 /nfs/dbraw/zinc/42/25/02/599422502.db2.gz QAEZLMRIKGUMCW-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351609 599422504 /nfs/dbraw/zinc/42/25/04/599422504.db2.gz QAEZLMRIKGUMCW-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333869 599522198 /nfs/dbraw/zinc/52/21/98/599522198.db2.gz HSOPWFILIJCMGV-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333869 599522199 /nfs/dbraw/zinc/52/21/99/599522199.db2.gz HSOPWFILIJCMGV-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821418099 599542779 /nfs/dbraw/zinc/54/27/79/599542779.db2.gz WCSDCUZDZVHIMQ-NSHDSACASA-N -1 3 382.380 2.665 20 5 GFBDHM CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821418099 599542781 /nfs/dbraw/zinc/54/27/81/599542781.db2.gz WCSDCUZDZVHIMQ-NSHDSACASA-N -1 3 382.380 2.665 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](c4ccco4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645956 599548446 /nfs/dbraw/zinc/54/84/46/599548446.db2.gz XRIIFOBPXGMAPG-LLVKDONJSA-N -1 3 377.364 2.910 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](c4ccco4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645956 599548447 /nfs/dbraw/zinc/54/84/47/599548447.db2.gz XRIIFOBPXGMAPG-LLVKDONJSA-N -1 3 377.364 2.910 20 5 GFBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823055182 599695374 /nfs/dbraw/zinc/69/53/74/599695374.db2.gz KEJGCTQMWZBYNN-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823055182 599695375 /nfs/dbraw/zinc/69/53/75/599695375.db2.gz KEJGCTQMWZBYNN-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822472417 607397567 /nfs/dbraw/zinc/39/75/67/607397567.db2.gz SBLZTCLAJCWIQP-UHFFFAOYSA-N -1 3 383.368 2.518 20 5 GFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822472417 607397569 /nfs/dbraw/zinc/39/75/69/607397569.db2.gz SBLZTCLAJCWIQP-UHFFFAOYSA-N -1 3 383.368 2.518 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821749839 607420642 /nfs/dbraw/zinc/42/06/42/607420642.db2.gz ZSPHWFZYDKPBCH-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821749839 607420645 /nfs/dbraw/zinc/42/06/45/607420645.db2.gz ZSPHWFZYDKPBCH-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000826497945 607452350 /nfs/dbraw/zinc/45/23/50/607452350.db2.gz ACARVGRMIWOUOY-OAHLLOKOSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1ccccc1CN(CCOc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826500046 607524634 /nfs/dbraw/zinc/52/46/34/607524634.db2.gz JENXTUZHCRSYGH-UHFFFAOYSA-N -1 3 380.408 2.818 20 5 GFBDHM CC(C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255826 607552396 /nfs/dbraw/zinc/55/23/96/607552396.db2.gz ZQGGYPCRXWRRRY-GOSISDBHSA-N -1 3 382.424 2.971 20 5 GFBDHM COc1ccc(OCCN2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829499728 604037173 /nfs/dbraw/zinc/03/71/73/604037173.db2.gz CCHWMMBJTLMMEY-INIZCTEOSA-N -1 3 393.440 2.837 20 5 GFBDHM CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916793 605469104 /nfs/dbraw/zinc/46/91/04/605469104.db2.gz RPZFVBOAWWHEFM-UHFFFAOYSA-N -1 3 389.412 2.999 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000823639818 606201180 /nfs/dbraw/zinc/20/11/80/606201180.db2.gz HUJBOHREHMVOCR-XHDPSFHLSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000823639818 606201183 /nfs/dbraw/zinc/20/11/83/606201183.db2.gz HUJBOHREHMVOCR-XHDPSFHLSA-N -1 3 386.437 2.929 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823347458 606270856 /nfs/dbraw/zinc/27/08/56/606270856.db2.gz YMUXLUWBWXRWPO-UHFFFAOYSA-N -1 3 383.343 2.741 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823347458 606270858 /nfs/dbraw/zinc/27/08/58/606270858.db2.gz YMUXLUWBWXRWPO-UHFFFAOYSA-N -1 3 383.343 2.741 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822271205 606638646 /nfs/dbraw/zinc/63/86/46/606638646.db2.gz QKAVNVCROZPDCN-OAHLLOKOSA-N -1 3 393.407 2.609 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822271205 606638647 /nfs/dbraw/zinc/63/86/47/606638647.db2.gz QKAVNVCROZPDCN-OAHLLOKOSA-N -1 3 393.407 2.609 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(C(F)(F)F)cn2)c(-c2nnn[n-]2)c1 ZINC000823639851 606723573 /nfs/dbraw/zinc/72/35/73/606723573.db2.gz JBGWWGLEKFHOIB-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(C(F)(F)F)cn2)c(-c2nn[n-]n2)c1 ZINC000823639851 606723575 /nfs/dbraw/zinc/72/35/75/606723575.db2.gz JBGWWGLEKFHOIB-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823414089 606759476 /nfs/dbraw/zinc/75/94/76/606759476.db2.gz SBSBIRCXVJUMFD-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823414089 606759478 /nfs/dbraw/zinc/75/94/78/606759478.db2.gz SBSBIRCXVJUMFD-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823041395 606771316 /nfs/dbraw/zinc/77/13/16/606771316.db2.gz ZYSXESKRAZQICW-UHFFFAOYSA-N -1 3 390.359 2.946 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823041395 606771317 /nfs/dbraw/zinc/77/13/17/606771317.db2.gz ZYSXESKRAZQICW-UHFFFAOYSA-N -1 3 390.359 2.946 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2cc[nH]n2)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826498293 607987612 /nfs/dbraw/zinc/98/76/12/607987612.db2.gz OQERDXAJGHVSLE-UHFFFAOYSA-N -1 3 376.380 2.705 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2cc[nH]n2)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826498293 607987613 /nfs/dbraw/zinc/98/76/13/607987613.db2.gz OQERDXAJGHVSLE-UHFFFAOYSA-N -1 3 376.380 2.705 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513966 608105388 /nfs/dbraw/zinc/10/53/88/608105388.db2.gz KYIHFJMAKDZAKU-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513966 608105389 /nfs/dbraw/zinc/10/53/89/608105389.db2.gz KYIHFJMAKDZAKU-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM COCc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826164470 608161050 /nfs/dbraw/zinc/16/10/50/608161050.db2.gz BOHWNGSQPASOEL-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM COCc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826164470 608161052 /nfs/dbraw/zinc/16/10/52/608161052.db2.gz BOHWNGSQPASOEL-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM O=C(CC[C@@H]1CCCCO1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405563 608161508 /nfs/dbraw/zinc/16/15/08/608161508.db2.gz KMYVWAMSPBWXQZ-JTQLQIEISA-N -1 3 380.792 2.716 20 5 GFBDHM O=C(CC[C@@H]1CCCCO1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405563 608161509 /nfs/dbraw/zinc/16/15/09/608161509.db2.gz KMYVWAMSPBWXQZ-JTQLQIEISA-N -1 3 380.792 2.716 20 5 GFBDHM CCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825271905 608163128 /nfs/dbraw/zinc/16/31/28/608163128.db2.gz QBVUVMGCLRBHAH-UHFFFAOYSA-N -1 3 382.808 2.964 20 5 GFBDHM CCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825271905 608163130 /nfs/dbraw/zinc/16/31/30/608163130.db2.gz QBVUVMGCLRBHAH-UHFFFAOYSA-N -1 3 382.808 2.964 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000825958339 608229209 /nfs/dbraw/zinc/22/92/09/608229209.db2.gz SFTMSTGIKBAYFP-UHFFFAOYSA-N -1 3 389.375 2.595 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000825958339 608229211 /nfs/dbraw/zinc/22/92/11/608229211.db2.gz SFTMSTGIKBAYFP-UHFFFAOYSA-N -1 3 389.375 2.595 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826465765 608254530 /nfs/dbraw/zinc/25/45/30/608254530.db2.gz BJBMXBNQNDPVKC-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826465765 608254532 /nfs/dbraw/zinc/25/45/32/608254532.db2.gz BJBMXBNQNDPVKC-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826152141 608299703 /nfs/dbraw/zinc/29/97/03/608299703.db2.gz ROPAJWMORXWXLD-OAHLLOKOSA-N -1 3 376.323 2.853 20 5 GFBDHM COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826152141 608299705 /nfs/dbraw/zinc/29/97/05/608299705.db2.gz ROPAJWMORXWXLD-OAHLLOKOSA-N -1 3 376.323 2.853 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826172434 608373128 /nfs/dbraw/zinc/37/31/28/608373128.db2.gz GKESICURLVFDSN-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826172434 608373129 /nfs/dbraw/zinc/37/31/29/608373129.db2.gz GKESICURLVFDSN-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826466684 608440730 /nfs/dbraw/zinc/44/07/30/608440730.db2.gz OUJHOLLAWNIECV-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826466684 608440732 /nfs/dbraw/zinc/44/07/32/608440732.db2.gz OUJHOLLAWNIECV-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633358 608468906 /nfs/dbraw/zinc/46/89/06/608468906.db2.gz LOHRLLDGSKPZQB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633358 608468907 /nfs/dbraw/zinc/46/89/07/608468907.db2.gz LOHRLLDGSKPZQB-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473940 608485403 /nfs/dbraw/zinc/48/54/03/608485403.db2.gz UKPWHSIDPALHAH-UHFFFAOYSA-N -1 3 382.405 2.766 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473940 608485405 /nfs/dbraw/zinc/48/54/05/608485405.db2.gz UKPWHSIDPALHAH-UHFFFAOYSA-N -1 3 382.405 2.766 20 5 GFBDHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000824499037 608537888 /nfs/dbraw/zinc/53/78/88/608537888.db2.gz MUFLBLIGAADJMR-LBPRGKRZSA-N -1 3 393.407 2.824 20 5 GFBDHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000824499037 608537889 /nfs/dbraw/zinc/53/78/89/608537889.db2.gz MUFLBLIGAADJMR-LBPRGKRZSA-N -1 3 393.407 2.824 20 5 GFBDHM CC[C@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825141423 608552056 /nfs/dbraw/zinc/55/20/56/608552056.db2.gz OHYDZJAXJASWRS-AWEZNQCLSA-N -1 3 399.411 2.664 20 5 GFBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824770836 608864825 /nfs/dbraw/zinc/86/48/25/608864825.db2.gz NBAXAJDMCXCKHD-ZDUSSCGKSA-N -1 3 397.414 2.797 20 5 GFBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824770836 608864828 /nfs/dbraw/zinc/86/48/28/608864828.db2.gz NBAXAJDMCXCKHD-ZDUSSCGKSA-N -1 3 397.414 2.797 20 5 GFBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826424254 609313782 /nfs/dbraw/zinc/31/37/82/609313782.db2.gz CNGDLMAYRUJBIJ-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826424254 609313783 /nfs/dbraw/zinc/31/37/83/609313783.db2.gz CNGDLMAYRUJBIJ-UHFFFAOYSA-N -1 3 375.348 2.521 20 5 GFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466903 609352705 /nfs/dbraw/zinc/35/27/05/609352705.db2.gz YGZMTSQTHSJYCX-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466903 609352708 /nfs/dbraw/zinc/35/27/08/609352708.db2.gz YGZMTSQTHSJYCX-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC(F)F ZINC000827881509 660521544 /nfs/dbraw/zinc/52/15/44/660521544.db2.gz FOVPIUDUIADDFS-ZETCQYMHSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000053671508 654749380 /nfs/dbraw/zinc/74/93/80/654749380.db2.gz VPFNJAUUFPWLFY-UHFFFAOYSA-N -1 3 385.785 2.677 20 5 GFBDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000134446679 654993178 /nfs/dbraw/zinc/99/31/78/654993178.db2.gz PDDHYBPOQVIZSV-MRVPVSSYSA-N -1 3 383.813 2.955 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000156350421 655091774 /nfs/dbraw/zinc/09/17/74/655091774.db2.gz HHZMPLMJUXTZMM-SECBINFHSA-N -1 3 393.259 2.593 20 5 GFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000273567378 655148703 /nfs/dbraw/zinc/14/87/03/655148703.db2.gz FXJJKESNZBEXFK-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173175311 655164952 /nfs/dbraw/zinc/16/49/52/655164952.db2.gz YUXPZGIDCMSLME-JTQLQIEISA-N -1 3 395.275 2.841 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2F)c(Cl)c1 ZINC000121043291 655347487 /nfs/dbraw/zinc/34/74/87/655347487.db2.gz RSLCTERXYIJVLR-GFCCVEGCSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1c([O-])ccc2c(Cn3cc(Br)c([N+](=O)[O-])n3)cc(=O)oc12 ZINC000728704522 655558427 /nfs/dbraw/zinc/55/84/27/655558427.db2.gz JAXUNBSYELJCRH-UHFFFAOYSA-N -1 3 380.154 2.723 20 5 GFBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000787153806 657522745 /nfs/dbraw/zinc/52/27/45/657522745.db2.gz CALDASZWRALWSS-UHFFFAOYSA-N -1 3 399.144 2.740 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000791421712 658095449 /nfs/dbraw/zinc/09/54/49/658095449.db2.gz CJBYARFHGMVGFK-BDAKNGLRSA-N -1 3 394.280 2.805 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2F)c(C(F)(F)F)c1 ZINC000795268100 658785562 /nfs/dbraw/zinc/78/55/62/658785562.db2.gz OTMQVTWZKYTXLW-UHFFFAOYSA-N -1 3 379.291 2.626 20 5 GFBDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791580 658851750 /nfs/dbraw/zinc/85/17/50/658851750.db2.gz KSVKRAZWGFHOAA-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCN(CC2CC2)CC1 ZINC000814993731 660100396 /nfs/dbraw/zinc/10/03/96/660100396.db2.gz GSFPGSLEXCHJFX-UHFFFAOYSA-N -1 3 391.852 2.540 20 5 GFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000849461024 661729985 /nfs/dbraw/zinc/72/99/85/661729985.db2.gz SJPODHIGRDFDLV-GXSJLCMTSA-N -1 3 393.259 2.593 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847676 662581892 /nfs/dbraw/zinc/58/18/92/662581892.db2.gz DBINJEPEIGQWSZ-GHMZBOCLSA-N -1 3 380.344 2.779 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000123286384 551304713 /nfs/dbraw/zinc/30/47/13/551304713.db2.gz CBMPBZHRHOTNBE-CYBMUJFWSA-N -1 3 381.479 2.770 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000157706801 551541706 /nfs/dbraw/zinc/54/17/06/551541706.db2.gz TUXSZRGXAATZON-QWHCGFSZSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-n2cccn2)cc1 ZINC000173229960 552080128 /nfs/dbraw/zinc/08/01/28/552080128.db2.gz NFGDTJZRPGHPOA-NSHDSACASA-N -1 3 378.435 2.882 20 5 GFBDHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173470686 552086093 /nfs/dbraw/zinc/08/60/93/552086093.db2.gz AIFQICIEPCDINN-SECBINFHSA-N -1 3 386.861 2.508 20 5 GFBDHM Cc1csc([C@H]([N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000178953445 552180173 /nfs/dbraw/zinc/18/01/73/552180173.db2.gz DBIIUJRAHZQBDW-OAHLLOKOSA-N -1 3 381.479 2.973 20 5 GFBDHM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181506595 552258657 /nfs/dbraw/zinc/25/86/57/552258657.db2.gz JMBXTYFWIYDUQQ-UHFFFAOYSA-N -1 3 386.861 2.510 20 5 GFBDHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185583612 552366772 /nfs/dbraw/zinc/36/67/72/552366772.db2.gz ZWVODVYOZKCRNB-JTQLQIEISA-N -1 3 378.435 2.947 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000187160990 552408476 /nfs/dbraw/zinc/40/84/76/552408476.db2.gz HPQXWUCOLGNGRZ-CQSZACIVSA-N -1 3 389.430 2.803 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000187382359 552414437 /nfs/dbraw/zinc/41/44/37/552414437.db2.gz BJCZXVCMRBWTPC-UHFFFAOYSA-N -1 3 389.430 2.721 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000420728993 563280365 /nfs/dbraw/zinc/28/03/65/563280365.db2.gz BJBYRWYPFVYQHN-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](CO)c3ccccc32)c(Cl)c1 ZINC000372738277 563316067 /nfs/dbraw/zinc/31/60/67/563316067.db2.gz JMKNEBKJHYBDLZ-ZUZCIYMTSA-N -1 3 382.825 2.747 20 5 GFBDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000378252283 563500636 /nfs/dbraw/zinc/50/06/36/563500636.db2.gz OCHYWYOCDYIVKM-NSHDSACASA-N -1 3 384.845 2.609 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c1 ZINC000330753828 563519867 /nfs/dbraw/zinc/51/98/67/563519867.db2.gz DQZSSOHGJNJSOP-LBPRGKRZSA-N -1 3 393.259 2.595 20 5 GFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc([C@H]3CCC(=O)N3)c2)s1 ZINC000413568955 563697571 /nfs/dbraw/zinc/69/75/71/563697571.db2.gz ZNGODNJEKNBKLQ-LLVKDONJSA-N -1 3 381.435 2.755 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085115 563736129 /nfs/dbraw/zinc/73/61/29/563736129.db2.gz ZIGZBAQYCZGUOA-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443147149 563793238 /nfs/dbraw/zinc/79/32/38/563793238.db2.gz VEGVAFNIUDDQTE-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000416457732 563831520 /nfs/dbraw/zinc/83/15/20/563831520.db2.gz OSIGASNOLDWIIL-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416465488 563833059 /nfs/dbraw/zinc/83/30/59/563833059.db2.gz ZCBHWWGCOSUWLK-JTQLQIEISA-N -1 3 384.376 2.689 20 5 GFBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416484273 563836478 /nfs/dbraw/zinc/83/64/78/563836478.db2.gz RZMGPWPVTQOJSG-CYBMUJFWSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1nc2c(s1)CCC2 ZINC000416541518 563846004 /nfs/dbraw/zinc/84/60/04/563846004.db2.gz WIFMAJXJDOKMFW-VIFPVBQESA-N -1 3 383.451 2.588 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601791 563852028 /nfs/dbraw/zinc/85/20/28/563852028.db2.gz WMHJTLFHCOYLFO-APPZFPTMSA-N -1 3 381.273 2.530 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509519978 564303018 /nfs/dbraw/zinc/30/30/18/564303018.db2.gz BCVWJVMGNCYERC-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000509729474 564311239 /nfs/dbraw/zinc/31/12/39/564311239.db2.gz POVDPMOSNZBJNS-MRVPVSSYSA-N -1 3 389.792 2.830 20 5 GFBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000479983983 564457221 /nfs/dbraw/zinc/45/72/21/564457221.db2.gz PTCNMVBZEHYEQS-UHFFFAOYSA-N -1 3 375.859 2.843 20 5 GFBDHM COC(=O)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000547347612 564485105 /nfs/dbraw/zinc/48/51/05/564485105.db2.gz GLGLZYAUQMYIAK-UHFFFAOYSA-N -1 3 376.456 2.509 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c1C ZINC000480939606 564496593 /nfs/dbraw/zinc/49/65/93/564496593.db2.gz SSIHGKWGQZXFCH-OAHLLOKOSA-N -1 3 383.495 2.854 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1 ZINC000553571041 564727616 /nfs/dbraw/zinc/72/76/16/564727616.db2.gz BQYSFKFPZQMENG-SECBINFHSA-N -1 3 395.300 2.779 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000553856342 564740524 /nfs/dbraw/zinc/74/05/24/564740524.db2.gz JZAOVDWNGRALJP-UHFFFAOYSA-N -1 3 386.436 2.555 20 5 GFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cc(C(F)(F)F)on1 ZINC000490467085 564773128 /nfs/dbraw/zinc/77/31/28/564773128.db2.gz ASMDCHCBPDITRU-UHFFFAOYSA-N -1 3 385.345 2.877 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000462158548 564824831 /nfs/dbraw/zinc/82/48/31/564824831.db2.gz MPMDUHAPILNOOR-QMMMGPOBSA-N -1 3 382.269 2.663 20 5 GFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462412672 564838242 /nfs/dbraw/zinc/83/82/42/564838242.db2.gz VENOGMIHZWZJFO-SECBINFHSA-N -1 3 395.275 2.839 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCN(C2CC2)C1 ZINC000462441965 564840320 /nfs/dbraw/zinc/84/03/20/564840320.db2.gz QHGNLZXVIGUWSQ-VIFPVBQESA-N -1 3 394.280 2.664 20 5 GFBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC ZINC000462568328 564848540 /nfs/dbraw/zinc/84/85/40/564848540.db2.gz XXMBDGDEITWKML-RNCFNFMXSA-N -1 3 378.834 2.504 20 5 GFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000462675636 564853917 /nfs/dbraw/zinc/85/39/17/564853917.db2.gz JGQGZPWCWYWEDN-GFCCVEGCSA-N -1 3 376.406 2.523 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000467070082 564954894 /nfs/dbraw/zinc/95/48/94/564954894.db2.gz UMVQFGBEOASJPN-UHFFFAOYSA-N -1 3 380.369 2.903 20 5 GFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc3nccnc3c2Br)n1 ZINC000584744955 565094821 /nfs/dbraw/zinc/09/48/21/565094821.db2.gz RCHYWAAJDQUJHI-UHFFFAOYSA-N -1 3 391.185 2.769 20 5 GFBDHM NC(=O)c1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1F ZINC000618399509 565298814 /nfs/dbraw/zinc/29/88/14/565298814.db2.gz XPEMMKIFFWSYAK-UHFFFAOYSA-N -1 3 388.174 2.909 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000619486929 565343199 /nfs/dbraw/zinc/34/31/99/565343199.db2.gz KRIQWSXVFQVZND-ZDUSSCGKSA-N -1 3 383.451 2.798 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)cs1 ZINC000619486677 565343667 /nfs/dbraw/zinc/34/36/67/565343667.db2.gz PFEAFBFQINDBIH-OAHLLOKOSA-N -1 3 385.467 2.972 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000619746159 565357181 /nfs/dbraw/zinc/35/71/81/565357181.db2.gz FRHQSRBMHPEVJI-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380741 565471172 /nfs/dbraw/zinc/47/11/72/565471172.db2.gz CDHVMPRQVFLJIQ-XHDPSFHLSA-N -1 3 384.841 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000599363829 565672593 /nfs/dbraw/zinc/67/25/93/565672593.db2.gz FUFZCNJPFOBVOX-SNVBAGLBSA-N -1 3 382.360 2.709 20 5 GFBDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610266063 566074544 /nfs/dbraw/zinc/07/45/44/566074544.db2.gz LVYCUNYNORKDQN-UHFFFAOYSA-N -1 3 383.813 2.685 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737226293 599001536 /nfs/dbraw/zinc/00/15/36/599001536.db2.gz UIQXXBVNTFXKOA-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737226293 599001537 /nfs/dbraw/zinc/00/15/37/599001537.db2.gz UIQXXBVNTFXKOA-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CSc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823646924 599088305 /nfs/dbraw/zinc/08/83/05/599088305.db2.gz DAHZCYAYADCAER-LBPRGKRZSA-N -1 3 383.437 2.789 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CC[C@H](CSc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823646924 599088308 /nfs/dbraw/zinc/08/83/08/599088308.db2.gz DAHZCYAYADCAER-LBPRGKRZSA-N -1 3 383.437 2.789 20 5 GFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505319 599182805 /nfs/dbraw/zinc/18/28/05/599182805.db2.gz LQCBTUAIKIVEIH-CYBMUJFWSA-N -1 3 380.408 2.927 20 5 GFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505319 599182807 /nfs/dbraw/zinc/18/28/07/599182807.db2.gz LQCBTUAIKIVEIH-CYBMUJFWSA-N -1 3 380.408 2.927 20 5 GFBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823237972 599248027 /nfs/dbraw/zinc/24/80/27/599248027.db2.gz GLSXLRLHJYCMGS-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823237972 599248028 /nfs/dbraw/zinc/24/80/28/599248028.db2.gz GLSXLRLHJYCMGS-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737192607 598310441 /nfs/dbraw/zinc/31/04/41/598310441.db2.gz USBLXIHGYUQUOG-UHFFFAOYSA-N -1 3 388.384 2.913 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737192607 598310444 /nfs/dbraw/zinc/31/04/44/598310444.db2.gz USBLXIHGYUQUOG-UHFFFAOYSA-N -1 3 388.384 2.913 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737412113 598458806 /nfs/dbraw/zinc/45/88/06/598458806.db2.gz UOVVFUYWRZFDFN-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737412113 598458808 /nfs/dbraw/zinc/45/88/08/598458808.db2.gz UOVVFUYWRZFDFN-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737083571 598495247 /nfs/dbraw/zinc/49/52/47/598495247.db2.gz RNMGVVJSDOOKIY-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737083571 598495248 /nfs/dbraw/zinc/49/52/48/598495248.db2.gz RNMGVVJSDOOKIY-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736292532 598500705 /nfs/dbraw/zinc/50/07/05/598500705.db2.gz KDKQONRJPWTQGV-TXEJJXNPSA-N -1 3 396.411 2.527 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736292532 598500707 /nfs/dbraw/zinc/50/07/07/598500707.db2.gz KDKQONRJPWTQGV-TXEJJXNPSA-N -1 3 396.411 2.527 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCSCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738367504 598511941 /nfs/dbraw/zinc/51/19/41/598511941.db2.gz STQSINWPABYZIH-UHFFFAOYSA-N -1 3 387.421 2.966 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCSCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738367504 598511942 /nfs/dbraw/zinc/51/19/42/598511942.db2.gz STQSINWPABYZIH-UHFFFAOYSA-N -1 3 387.421 2.966 20 5 GFBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000735760545 598675196 /nfs/dbraw/zinc/67/51/96/598675196.db2.gz CYNQVYNJBUKIEE-GFCCVEGCSA-N -1 3 398.427 2.990 20 5 GFBDHM CC(C)C[C@@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000735760545 598675198 /nfs/dbraw/zinc/67/51/98/598675198.db2.gz CYNQVYNJBUKIEE-GFCCVEGCSA-N -1 3 398.427 2.990 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738236093 598704136 /nfs/dbraw/zinc/70/41/36/598704136.db2.gz SCWPMISCAXGCRP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738236093 598704137 /nfs/dbraw/zinc/70/41/37/598704137.db2.gz SCWPMISCAXGCRP-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737191697 598705008 /nfs/dbraw/zinc/70/50/08/598705008.db2.gz QOOQWDXXOHAVIU-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737191697 598705009 /nfs/dbraw/zinc/70/50/09/598705009.db2.gz QOOQWDXXOHAVIU-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736171867 598735659 /nfs/dbraw/zinc/73/56/59/598735659.db2.gz ZCDVMHKMTZYIPL-NEPJUHHUSA-N -1 3 394.391 2.520 20 5 GFBDHM O=[N+]([O-])c1c(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2sccn21 ZINC000738357142 598816006 /nfs/dbraw/zinc/81/60/06/598816006.db2.gz CURSAISSDPBERX-UHFFFAOYSA-N -1 3 382.409 2.653 20 5 GFBDHM O=[N+]([O-])c1c(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2sccn21 ZINC000738357142 598816008 /nfs/dbraw/zinc/81/60/08/598816008.db2.gz CURSAISSDPBERX-UHFFFAOYSA-N -1 3 382.409 2.653 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000821343189 599352380 /nfs/dbraw/zinc/35/23/80/599352380.db2.gz LLRUZLNGOJLDOJ-SNVBAGLBSA-N -1 3 383.368 2.520 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821343189 599352381 /nfs/dbraw/zinc/35/23/81/599352381.db2.gz LLRUZLNGOJLDOJ-SNVBAGLBSA-N -1 3 383.368 2.520 20 5 GFBDHM C[C@H](COCC(F)(F)F)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287883 599500790 /nfs/dbraw/zinc/50/07/90/599500790.db2.gz RTLZOYUYRIUTQC-MRVPVSSYSA-N -1 3 397.317 2.702 20 5 GFBDHM C[C@H](COCC(F)(F)F)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287883 599500791 /nfs/dbraw/zinc/50/07/91/599500791.db2.gz RTLZOYUYRIUTQC-MRVPVSSYSA-N -1 3 397.317 2.702 20 5 GFBDHM C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334246 599508719 /nfs/dbraw/zinc/50/87/19/599508719.db2.gz LZQZEKHTPSAQKT-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334246 599508720 /nfs/dbraw/zinc/50/87/20/599508720.db2.gz LZQZEKHTPSAQKT-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820468722 599557075 /nfs/dbraw/zinc/55/70/75/599557075.db2.gz WAHHHWCUOPSOND-LJQANCHMSA-N -1 3 391.391 2.643 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820468722 599557076 /nfs/dbraw/zinc/55/70/76/599557076.db2.gz WAHHHWCUOPSOND-LJQANCHMSA-N -1 3 391.391 2.643 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645220 599572110 /nfs/dbraw/zinc/57/21/10/599572110.db2.gz PYUPRWZBOVVUPG-MRXNPFEDSA-N -1 3 391.391 2.859 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645220 599572112 /nfs/dbraw/zinc/57/21/12/599572112.db2.gz PYUPRWZBOVVUPG-MRXNPFEDSA-N -1 3 391.391 2.859 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832958769 601729287 /nfs/dbraw/zinc/72/92/87/601729287.db2.gz TXEWSTXDSRRMEQ-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000832849682 601731195 /nfs/dbraw/zinc/73/11/95/601731195.db2.gz OHIQWYXKAJNESF-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823410009 606151110 /nfs/dbraw/zinc/15/11/10/606151110.db2.gz PPRXYGUFDVYKFU-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823410009 606151112 /nfs/dbraw/zinc/15/11/12/606151112.db2.gz PPRXYGUFDVYKFU-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nnn[n-]1 ZINC000823634483 606645231 /nfs/dbraw/zinc/64/52/31/606645231.db2.gz HKOJPLMQCALDHA-UHFFFAOYSA-N -1 3 376.380 2.632 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820814477 606671865 /nfs/dbraw/zinc/67/18/65/606671865.db2.gz WMQHCJFJBGOXGQ-MRVPVSSYSA-N -1 3 386.318 2.645 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820814477 606671866 /nfs/dbraw/zinc/67/18/66/606671866.db2.gz WMQHCJFJBGOXGQ-MRVPVSSYSA-N -1 3 386.318 2.645 20 5 GFBDHM O=[N+]([O-])c1ccc(F)c(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823639936 606700474 /nfs/dbraw/zinc/70/04/74/606700474.db2.gz MMKJXCJQDZWHTN-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc(F)c(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823639936 606700475 /nfs/dbraw/zinc/70/04/75/606700475.db2.gz MMKJXCJQDZWHTN-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823032550 606787504 /nfs/dbraw/zinc/78/75/04/606787504.db2.gz ZBFCLGAZUASWLU-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823032550 606787506 /nfs/dbraw/zinc/78/75/06/606787506.db2.gz ZBFCLGAZUASWLU-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822213119 606793561 /nfs/dbraw/zinc/79/35/61/606793561.db2.gz VQYVCIOTSGUQBZ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822213119 606793562 /nfs/dbraw/zinc/79/35/62/606793562.db2.gz VQYVCIOTSGUQBZ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000823648252 606802670 /nfs/dbraw/zinc/80/26/70/606802670.db2.gz SYYJMKVWEJEKHU-UHFFFAOYSA-N -1 3 381.371 2.993 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000823648252 606802672 /nfs/dbraw/zinc/80/26/72/606802672.db2.gz SYYJMKVWEJEKHU-UHFFFAOYSA-N -1 3 381.371 2.993 20 5 GFBDHM CCOC(=O)c1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821338263 606919051 /nfs/dbraw/zinc/91/90/51/606919051.db2.gz TZPHEBZTKHVUKZ-UHFFFAOYSA-N -1 3 382.380 2.588 20 5 GFBDHM CCOC(=O)c1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821338263 606919052 /nfs/dbraw/zinc/91/90/52/606919052.db2.gz TZPHEBZTKHVUKZ-UHFFFAOYSA-N -1 3 382.380 2.588 20 5 GFBDHM Cc1nn(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500859 606998814 /nfs/dbraw/zinc/99/88/14/606998814.db2.gz JSSNFWOMSMCRKU-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM Cc1nn(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500859 606998815 /nfs/dbraw/zinc/99/88/15/606998815.db2.gz JSSNFWOMSMCRKU-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC(c3nc4ccccc4s3)C2)c(-c2nnn[n-]2)c1 ZINC000823640197 607019549 /nfs/dbraw/zinc/01/95/49/607019549.db2.gz WYCICXOGMGNYNT-UHFFFAOYSA-N -1 3 379.405 2.988 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC(c3nc4ccccc4s3)C2)c(-c2nn[n-]n2)c1 ZINC000823640197 607019550 /nfs/dbraw/zinc/01/95/50/607019550.db2.gz WYCICXOGMGNYNT-UHFFFAOYSA-N -1 3 379.405 2.988 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823449789 607244613 /nfs/dbraw/zinc/24/46/13/607244613.db2.gz CRHVMLNEEPRSMZ-UHFFFAOYSA-N -1 3 398.354 2.733 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823449789 607244614 /nfs/dbraw/zinc/24/46/14/607244614.db2.gz CRHVMLNEEPRSMZ-UHFFFAOYSA-N -1 3 398.354 2.733 20 5 GFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650332 607904389 /nfs/dbraw/zinc/90/43/89/607904389.db2.gz QVTRNVZQDRAEGO-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650332 607904390 /nfs/dbraw/zinc/90/43/90/607904390.db2.gz QVTRNVZQDRAEGO-NSHDSACASA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650331 607904515 /nfs/dbraw/zinc/90/45/15/607904515.db2.gz QVTRNVZQDRAEGO-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650331 607904516 /nfs/dbraw/zinc/90/45/16/607904516.db2.gz QVTRNVZQDRAEGO-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cn3ccccc3c1-c1nnn[n-]1)C2 ZINC000826499861 607943545 /nfs/dbraw/zinc/94/35/45/607943545.db2.gz BEYFOBDBCSOVMC-UHFFFAOYSA-N -1 3 375.392 2.586 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1cn3ccccc3c1-c1nn[n-]n1)C2 ZINC000826499861 607943546 /nfs/dbraw/zinc/94/35/46/607943546.db2.gz BEYFOBDBCSOVMC-UHFFFAOYSA-N -1 3 375.392 2.586 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccccc1-c1nnn[n-]1 ZINC000826421474 607979769 /nfs/dbraw/zinc/97/97/69/607979769.db2.gz JQOJANRFATXITH-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccccc1-c1nn[n-]n1 ZINC000826421474 607979770 /nfs/dbraw/zinc/97/97/70/607979770.db2.gz JQOJANRFATXITH-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826421721 608006500 /nfs/dbraw/zinc/00/65/00/608006500.db2.gz VZYNSYRCZAIGCW-UHFFFAOYSA-N -1 3 382.311 2.543 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826421721 608006501 /nfs/dbraw/zinc/00/65/01/608006501.db2.gz VZYNSYRCZAIGCW-UHFFFAOYSA-N -1 3 382.311 2.543 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826278502 608114932 /nfs/dbraw/zinc/11/49/32/608114932.db2.gz GMAWEWBFCSJDSP-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826278502 608114933 /nfs/dbraw/zinc/11/49/33/608114933.db2.gz GMAWEWBFCSJDSP-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825674616 608115499 /nfs/dbraw/zinc/11/54/99/608115499.db2.gz OYANEAZXUSDPMY-UHFFFAOYSA-N -1 3 384.421 2.817 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825674616 608115500 /nfs/dbraw/zinc/11/55/00/608115500.db2.gz OYANEAZXUSDPMY-UHFFFAOYSA-N -1 3 384.421 2.817 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826422325 608143713 /nfs/dbraw/zinc/14/37/13/608143713.db2.gz UWAJAPUOUYXIHK-UHFFFAOYSA-N -1 3 385.405 2.653 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826422325 608143714 /nfs/dbraw/zinc/14/37/14/608143714.db2.gz UWAJAPUOUYXIHK-UHFFFAOYSA-N -1 3 385.405 2.653 20 5 GFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522382 608228331 /nfs/dbraw/zinc/22/83/31/608228331.db2.gz RPIRWIOHXDDWLO-LLVKDONJSA-N -1 3 389.375 2.814 20 5 GFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522382 608228332 /nfs/dbraw/zinc/22/83/32/608228332.db2.gz RPIRWIOHXDDWLO-LLVKDONJSA-N -1 3 389.375 2.814 20 5 GFBDHM COC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000826151911 608297576 /nfs/dbraw/zinc/29/75/76/608297576.db2.gz MFOOEUDEWHFVIB-CQSZACIVSA-N -1 3 376.323 2.853 20 5 GFBDHM COC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000826151911 608297578 /nfs/dbraw/zinc/29/75/78/608297578.db2.gz MFOOEUDEWHFVIB-CQSZACIVSA-N -1 3 376.323 2.853 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(CO)c(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000826499720 608374730 /nfs/dbraw/zinc/37/47/30/608374730.db2.gz UMNJCZRABZSZFD-UHFFFAOYSA-N -1 3 395.354 2.567 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(CO)c(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000826499720 608374733 /nfs/dbraw/zinc/37/47/33/608374733.db2.gz UMNJCZRABZSZFD-UHFFFAOYSA-N -1 3 395.354 2.567 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)c1 ZINC000826499457 608532968 /nfs/dbraw/zinc/53/29/68/608532968.db2.gz JHDSIKILACWDOH-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)c1 ZINC000826499457 608532969 /nfs/dbraw/zinc/53/29/69/608532969.db2.gz JHDSIKILACWDOH-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM Cc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1[N+](=O)[O-] ZINC000826288122 608854600 /nfs/dbraw/zinc/85/46/00/608854600.db2.gz RWEQGMBPWUZJPY-SFHVURJKSA-N -1 3 380.408 2.657 20 5 GFBDHM Cc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288122 608854602 /nfs/dbraw/zinc/85/46/02/608854602.db2.gz RWEQGMBPWUZJPY-SFHVURJKSA-N -1 3 380.408 2.657 20 5 GFBDHM Cc1cc(COC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267209 609284505 /nfs/dbraw/zinc/28/45/05/609284505.db2.gz WJDVOFFGUSHDME-GFCCVEGCSA-N -1 3 383.364 2.594 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826497418 609321909 /nfs/dbraw/zinc/32/19/09/609321909.db2.gz GTGVHWPIMLFQDB-UHFFFAOYSA-N -1 3 389.759 2.991 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826497418 609321911 /nfs/dbraw/zinc/32/19/11/609321911.db2.gz GTGVHWPIMLFQDB-UHFFFAOYSA-N -1 3 389.759 2.991 20 5 GFBDHM CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367511 609324278 /nfs/dbraw/zinc/32/42/78/609324278.db2.gz RLRVKCQZMMKWSA-UHFFFAOYSA-N -1 3 388.334 2.920 20 5 GFBDHM CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367511 609324279 /nfs/dbraw/zinc/32/42/79/609324279.db2.gz RLRVKCQZMMKWSA-UHFFFAOYSA-N -1 3 388.334 2.920 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826293216 609465849 /nfs/dbraw/zinc/46/58/49/609465849.db2.gz GCZPAGPAUSZPTK-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826293216 609465852 /nfs/dbraw/zinc/46/58/52/609465852.db2.gz GCZPAGPAUSZPTK-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000825553908 609488509 /nfs/dbraw/zinc/48/85/09/609488509.db2.gz ZBMGYEVFYOHAKU-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000825553908 609488511 /nfs/dbraw/zinc/48/85/11/609488511.db2.gz ZBMGYEVFYOHAKU-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)CC(F)F ZINC000827882119 660521467 /nfs/dbraw/zinc/52/14/67/660521467.db2.gz PTYXGTCJOKPCBV-ZETCQYMHSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127826438 654835192 /nfs/dbraw/zinc/83/51/92/654835192.db2.gz AHFLAUMKAXZLSY-FZMZJTMJSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000578940745 655489512 /nfs/dbraw/zinc/48/95/12/655489512.db2.gz XZULILGANUBTAF-LBPRGKRZSA-N -1 3 382.825 2.839 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000746062075 655758067 /nfs/dbraw/zinc/75/80/67/655758067.db2.gz BNOZDXFBLYQERK-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@H]23)c(Cl)c1 ZINC000762519802 656045420 /nfs/dbraw/zinc/04/54/20/656045420.db2.gz CXKPBDLMGOLTFK-NTZNESFSSA-N -1 3 394.927 2.906 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)(F)F ZINC000765743739 656150111 /nfs/dbraw/zinc/15/01/11/656150111.db2.gz XWOSHYOHGSATOQ-LDYMZIIASA-N -1 3 390.767 2.537 20 5 GFBDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768882684 656258522 /nfs/dbraw/zinc/25/85/22/656258522.db2.gz UPJCPSJZLWLJQH-QFIPXVFZSA-N -1 3 394.883 2.989 20 5 GFBDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768882627 656258606 /nfs/dbraw/zinc/25/86/06/656258606.db2.gz UPJCPSJZLWLJQH-JOCHJYFZSA-N -1 3 394.883 2.989 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)c(Cl)c1 ZINC000775727919 656674690 /nfs/dbraw/zinc/67/46/90/656674690.db2.gz BINYAAFQFYPKHZ-GFCCVEGCSA-N -1 3 390.845 2.602 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000779893574 656957697 /nfs/dbraw/zinc/95/76/97/656957697.db2.gz UQAJFNHQOCJROH-VIFPVBQESA-N -1 3 378.834 2.565 20 5 GFBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831344 659946341 /nfs/dbraw/zinc/94/63/41/659946341.db2.gz CWHLDFCOQRJQTH-SNVBAGLBSA-N -1 3 379.841 2.538 20 5 GFBDHM CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023276 660103224 /nfs/dbraw/zinc/10/32/24/660103224.db2.gz PKSIAJIRJUOBRN-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000845989954 661519408 /nfs/dbraw/zinc/51/94/08/661519408.db2.gz LZRGIEZOLFLNGG-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000848508116 661658413 /nfs/dbraw/zinc/65/84/13/661658413.db2.gz HTQZZODFDTWYBR-CHWSQXEVSA-N -1 3 391.852 2.683 20 5 GFBDHM O=c1[n-]ccc(N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000896317111 663550937 /nfs/dbraw/zinc/55/09/37/663550937.db2.gz JILIAOODCPRKOR-INIZCTEOSA-N -1 3 394.225 2.946 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000123286131 551304360 /nfs/dbraw/zinc/30/43/60/551304360.db2.gz CBMPBZHRHOTNBE-ZDUSSCGKSA-N -1 3 381.479 2.770 20 5 GFBDHM CCCc1n[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000151539247 551415913 /nfs/dbraw/zinc/41/59/13/551415913.db2.gz IZJHWDMZWWKQSF-UHFFFAOYSA-N -1 3 383.202 2.669 20 5 GFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000151535225 551416011 /nfs/dbraw/zinc/41/60/11/551416011.db2.gz UYWKDPZUSBSUFK-UHFFFAOYSA-N -1 3 391.181 2.869 20 5 GFBDHM O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(Br)c1 ZINC000151633665 551418811 /nfs/dbraw/zinc/41/88/11/551418811.db2.gz APHXOUIJCBHOIB-UHFFFAOYSA-N -1 3 381.182 2.758 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000173489821 552086684 /nfs/dbraw/zinc/08/66/84/552086684.db2.gz QXYKHJHGRDHLOO-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000185471687 552363966 /nfs/dbraw/zinc/36/39/66/552363966.db2.gz LDLWXPPWXVOSGL-UHFFFAOYSA-N -1 3 376.785 2.996 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000186701440 552395413 /nfs/dbraw/zinc/39/54/13/552395413.db2.gz QQMJTJRDLXHOPA-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c2ncccc12 ZINC000301810431 563413022 /nfs/dbraw/zinc/41/30/22/563413022.db2.gz ZSFBNDSEXXARJK-UHFFFAOYSA-N -1 3 378.435 2.595 20 5 GFBDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378255383 563500452 /nfs/dbraw/zinc/50/04/52/563500452.db2.gz WLJNNKKRCFCYCK-LLVKDONJSA-N -1 3 384.845 2.609 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(F)c1 ZINC000387193674 563519767 /nfs/dbraw/zinc/51/97/67/563519767.db2.gz ZAPBUYUABOZGPI-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000414389846 563732867 /nfs/dbraw/zinc/73/28/67/563732867.db2.gz UADOGFSGFYLXOF-UHFFFAOYSA-N -1 3 389.430 2.537 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)ccc1Br ZINC000292208232 563778497 /nfs/dbraw/zinc/77/84/97/563778497.db2.gz HAWQDKXBRRCCAQ-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM CSc1ccc(C(=O)[N-]c2nnc(-c3nccn3C)s2)cc1[N+](=O)[O-] ZINC000366831244 563821501 /nfs/dbraw/zinc/82/15/01/563821501.db2.gz LHDNMMDTGUWKQX-UHFFFAOYSA-N -1 3 376.423 2.821 20 5 GFBDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453329 563831112 /nfs/dbraw/zinc/83/11/12/563831112.db2.gz CTDHWGSVOVFHPQ-RNCFNFMXSA-N -1 3 384.376 2.689 20 5 GFBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493583 563838573 /nfs/dbraw/zinc/83/85/73/563838573.db2.gz FJWBOLUMTGUZDD-ZYHUDNBSSA-N -1 3 382.360 2.850 20 5 GFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416524507 563842659 /nfs/dbraw/zinc/84/26/59/563842659.db2.gz GFPGXZIQNKLNCS-JGZJWPJOSA-N -1 3 393.259 2.592 20 5 GFBDHM COC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000416540099 563845392 /nfs/dbraw/zinc/84/53/92/563845392.db2.gz GJCBFFOYMFUAJI-UHFFFAOYSA-N -1 3 382.360 2.850 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1nc2c(s1)CCC2 ZINC000416541517 563845881 /nfs/dbraw/zinc/84/58/81/563845881.db2.gz WIFMAJXJDOKMFW-SECBINFHSA-N -1 3 383.451 2.588 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000445748973 563853705 /nfs/dbraw/zinc/85/37/05/563853705.db2.gz GLPOPKNGHZNXDY-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028779 563872746 /nfs/dbraw/zinc/87/27/46/563872746.db2.gz IVIQJESPGQBWKI-ONGXEEELSA-N -1 3 393.259 2.593 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447020837 563872784 /nfs/dbraw/zinc/87/27/84/563872784.db2.gz MGRSYQAKHMSOAW-LBPRGKRZSA-N -1 3 395.275 2.697 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509523553 564303407 /nfs/dbraw/zinc/30/34/07/564303407.db2.gz KMKKXZGQOAUZFZ-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000451658589 564337358 /nfs/dbraw/zinc/33/73/58/564337358.db2.gz BCTMFIZLNLUIPG-AWEZNQCLSA-N -1 3 384.841 2.784 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481461882 564512753 /nfs/dbraw/zinc/51/27/53/564512753.db2.gz BXRRLFLAZWJXFC-NSHDSACASA-N -1 3 391.232 2.914 20 5 GFBDHM COC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000549466412 564596153 /nfs/dbraw/zinc/59/61/53/564596153.db2.gz HGCIONRWIHYXGB-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCc2cccs2)c1 ZINC000520881988 564615406 /nfs/dbraw/zinc/61/54/06/564615406.db2.gz MQGGGFNTMZTUMG-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C2(CF)CCC2)cc1[N+](=O)[O-] ZINC000573242853 564629011 /nfs/dbraw/zinc/62/90/11/564629011.db2.gz HSQUNCPNONRXQZ-UHFFFAOYSA-N -1 3 381.223 2.836 20 5 GFBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882818 564703711 /nfs/dbraw/zinc/70/37/11/564703711.db2.gz AYYOTHUQQYKVRC-TXEJJXNPSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1nccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1Br ZINC000525870746 564712386 /nfs/dbraw/zinc/71/23/86/564712386.db2.gz OZZWGQMLOMKXHO-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000553883016 564743328 /nfs/dbraw/zinc/74/33/28/564743328.db2.gz LHQRTKCBDMMWJP-ZDUSSCGKSA-N -1 3 387.458 2.685 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c(Cl)c1 ZINC000461790408 564805144 /nfs/dbraw/zinc/80/51/44/564805144.db2.gz IILXDGYDZUVZST-LBPRGKRZSA-N -1 3 376.862 2.715 20 5 GFBDHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292443 564831795 /nfs/dbraw/zinc/83/17/95/564831795.db2.gz CTCSACNJLOTSKT-VIFPVBQESA-N -1 3 384.285 2.910 20 5 GFBDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000532615787 564941546 /nfs/dbraw/zinc/94/15/46/564941546.db2.gz AUAMBIHWRYWYAN-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144985 564947060 /nfs/dbraw/zinc/94/70/60/564947060.db2.gz KFJACYWAQGPGRC-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM COc1cc(CNc2cc(OC)c(Br)cn2)c([N+](=O)[O-])cc1[O-] ZINC000561301592 564990001 /nfs/dbraw/zinc/99/00/01/564990001.db2.gz HBPHFZVGFMAGGG-UHFFFAOYSA-N -1 3 384.186 2.509 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505129980 565049230 /nfs/dbraw/zinc/04/92/30/565049230.db2.gz RPZSSWLCVIVFGO-UHFFFAOYSA-N -1 3 389.842 2.535 20 5 GFBDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000537182425 565054597 /nfs/dbraw/zinc/05/45/97/565054597.db2.gz LZVIUGAGXBWAHR-NSHDSACASA-N -1 3 376.862 2.715 20 5 GFBDHM CC1CCN(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000588851577 565142237 /nfs/dbraw/zinc/14/22/37/565142237.db2.gz BTJWIAGJRCDYIE-UHFFFAOYSA-N -1 3 378.248 2.746 20 5 GFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(OC)c1 ZINC000594831586 565427343 /nfs/dbraw/zinc/42/73/43/565427343.db2.gz UINQHBPMBNFTAG-ZDUSSCGKSA-N -1 3 386.451 2.639 20 5 GFBDHM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(N(C)C)nn1 ZINC000598853295 565646530 /nfs/dbraw/zinc/64/65/30/565646530.db2.gz JOUUXEGOPZUCQE-UHFFFAOYSA-N -1 3 386.231 2.836 20 5 GFBDHM CN1CCCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415620 565677183 /nfs/dbraw/zinc/67/71/83/565677183.db2.gz PTEYOJGBLQNVNU-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000603975906 565921096 /nfs/dbraw/zinc/92/10/96/565921096.db2.gz NRTNRWZCPJRMGR-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)(C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735581693 598903289 /nfs/dbraw/zinc/90/32/89/598903289.db2.gz ANONFNLZOCBXAM-UHFFFAOYSA-N -1 3 397.391 2.675 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000735583386 598903421 /nfs/dbraw/zinc/90/34/21/598903421.db2.gz YFJVDTDISNBXIF-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000735583386 598903423 /nfs/dbraw/zinc/90/34/23/598903423.db2.gz YFJVDTDISNBXIF-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737033084 598940038 /nfs/dbraw/zinc/94/00/38/598940038.db2.gz SHZDPMYGBASPLG-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737033084 598940040 /nfs/dbraw/zinc/94/00/40/598940040.db2.gz SHZDPMYGBASPLG-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737225232 599000570 /nfs/dbraw/zinc/00/05/70/599000570.db2.gz ABLMZAZQNPILKL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737225232 599000571 /nfs/dbraw/zinc/00/05/71/599000571.db2.gz ABLMZAZQNPILKL-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000738370353 599040280 /nfs/dbraw/zinc/04/02/80/599040280.db2.gz OMFRNYAMDYGDNI-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000738370353 599040282 /nfs/dbraw/zinc/04/02/82/599040282.db2.gz OMFRNYAMDYGDNI-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821678412 599047185 /nfs/dbraw/zinc/04/71/85/599047185.db2.gz NNEHORKLKMGDTK-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821678412 599047189 /nfs/dbraw/zinc/04/71/89/599047189.db2.gz NNEHORKLKMGDTK-CYBMUJFWSA-N -1 3 375.776 2.623 20 5 GFBDHM CCN(CC(=O)Nc1c(C)cccc1C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821164577 599052963 /nfs/dbraw/zinc/05/29/63/599052963.db2.gz IKDFXDWHJWOZFG-UHFFFAOYSA-N -1 3 395.423 2.857 20 5 GFBDHM CCN(CC(=O)Nc1c(C)cccc1C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821164577 599052966 /nfs/dbraw/zinc/05/29/66/599052966.db2.gz IKDFXDWHJWOZFG-UHFFFAOYSA-N -1 3 395.423 2.857 20 5 GFBDHM CCc1cnc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821497119 599083131 /nfs/dbraw/zinc/08/31/31/599083131.db2.gz PGPLCYFJZUAUMN-UHFFFAOYSA-N -1 3 396.436 2.997 20 5 GFBDHM CCc1cnc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821497119 599083134 /nfs/dbraw/zinc/08/31/34/599083134.db2.gz PGPLCYFJZUAUMN-UHFFFAOYSA-N -1 3 396.436 2.997 20 5 GFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000821109838 607305328 /nfs/dbraw/zinc/30/53/28/607305328.db2.gz QRPPGWCEIVYWNS-UHFFFAOYSA-N -1 3 378.396 2.839 20 5 GFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000821109838 607305329 /nfs/dbraw/zinc/30/53/29/607305329.db2.gz QRPPGWCEIVYWNS-UHFFFAOYSA-N -1 3 378.396 2.839 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)ccc1-c1nnn[n-]1 ZINC000823634031 607347610 /nfs/dbraw/zinc/34/76/10/607347610.db2.gz AFPSAALRMSFFGH-INIZCTEOSA-N -1 3 388.334 2.631 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823066088 607356212 /nfs/dbraw/zinc/35/62/12/607356212.db2.gz LJUNSRFVPPXSGD-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823066088 607356214 /nfs/dbraw/zinc/35/62/14/607356214.db2.gz LJUNSRFVPPXSGD-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735625916 598468597 /nfs/dbraw/zinc/46/85/97/598468597.db2.gz HRCYXTMVUOXXBQ-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735625916 598468598 /nfs/dbraw/zinc/46/85/98/598468598.db2.gz HRCYXTMVUOXXBQ-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM COc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000737081731 598489084 /nfs/dbraw/zinc/48/90/84/598489084.db2.gz APZSDYYICFZSGB-UHFFFAOYSA-N -1 3 399.411 2.521 20 5 GFBDHM COc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000737081731 598489086 /nfs/dbraw/zinc/48/90/86/598489086.db2.gz APZSDYYICFZSGB-UHFFFAOYSA-N -1 3 399.411 2.521 20 5 GFBDHM CC(C)CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735756719 598497546 /nfs/dbraw/zinc/49/75/46/598497546.db2.gz QGLPBEFQRPBXHF-UHFFFAOYSA-N -1 3 382.384 2.898 20 5 GFBDHM CC(C)CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735756719 598497548 /nfs/dbraw/zinc/49/75/48/598497548.db2.gz QGLPBEFQRPBXHF-UHFFFAOYSA-N -1 3 382.384 2.898 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738373387 598498686 /nfs/dbraw/zinc/49/86/86/598498686.db2.gz BMUPHUFXLJUAAF-UHFFFAOYSA-N -1 3 381.274 2.855 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738373387 598498688 /nfs/dbraw/zinc/49/86/88/598498688.db2.gz BMUPHUFXLJUAAF-UHFFFAOYSA-N -1 3 381.274 2.855 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000738146165 598547650 /nfs/dbraw/zinc/54/76/50/598547650.db2.gz QOOQSOZKXYCULU-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000738146165 598547652 /nfs/dbraw/zinc/54/76/52/598547652.db2.gz QOOQSOZKXYCULU-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C1[C@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295622 598582933 /nfs/dbraw/zinc/58/29/33/598582933.db2.gz IYOJHMCPIBBHAK-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295622 598582934 /nfs/dbraw/zinc/58/29/34/598582934.db2.gz IYOJHMCPIBBHAK-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738234309 598703806 /nfs/dbraw/zinc/70/38/06/598703806.db2.gz AFXYLTHQNOTPCE-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738234309 598703808 /nfs/dbraw/zinc/70/38/08/598703808.db2.gz AFXYLTHQNOTPCE-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736184835 598735834 /nfs/dbraw/zinc/73/58/34/598735834.db2.gz OBGRBAYBFLQYFS-NWDGAFQWSA-N -1 3 394.391 2.520 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736184835 598735836 /nfs/dbraw/zinc/73/58/36/598735836.db2.gz OBGRBAYBFLQYFS-NWDGAFQWSA-N -1 3 394.391 2.520 20 5 GFBDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738260346 599375562 /nfs/dbraw/zinc/37/55/62/599375562.db2.gz BWSHFKPLPBYRCF-UHFFFAOYSA-N -1 3 379.380 2.759 20 5 GFBDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738260346 599375565 /nfs/dbraw/zinc/37/55/65/599375565.db2.gz BWSHFKPLPBYRCF-UHFFFAOYSA-N -1 3 379.380 2.759 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373658 599473289 /nfs/dbraw/zinc/47/32/89/599473289.db2.gz FENHUZUASQAKGS-UHFFFAOYSA-N -1 3 397.395 2.719 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373658 599473291 /nfs/dbraw/zinc/47/32/91/599473291.db2.gz FENHUZUASQAKGS-UHFFFAOYSA-N -1 3 397.395 2.719 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1 ZINC000823648592 599481702 /nfs/dbraw/zinc/48/17/02/599481702.db2.gz XQJBBNQHWASEFK-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c1 ZINC000823648592 599481704 /nfs/dbraw/zinc/48/17/04/599481704.db2.gz XQJBBNQHWASEFK-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000822196511 599500429 /nfs/dbraw/zinc/50/04/29/599500429.db2.gz LVOYQEQEUQRKHQ-UHFFFAOYSA-N -1 3 375.392 2.974 20 5 GFBDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000822196511 599500432 /nfs/dbraw/zinc/50/04/32/599500432.db2.gz LVOYQEQEUQRKHQ-UHFFFAOYSA-N -1 3 375.392 2.974 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000736603636 599520443 /nfs/dbraw/zinc/52/04/43/599520443.db2.gz ZURFFTYXSGBIQS-SNVBAGLBSA-N -1 3 383.368 2.520 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736603636 599520445 /nfs/dbraw/zinc/52/04/45/599520445.db2.gz ZURFFTYXSGBIQS-SNVBAGLBSA-N -1 3 383.368 2.520 20 5 GFBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333427 599526161 /nfs/dbraw/zinc/52/61/61/599526161.db2.gz BJPIXHAWBWKCEX-SNVBAGLBSA-N -1 3 386.799 2.848 20 5 GFBDHM C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333427 599526163 /nfs/dbraw/zinc/52/61/63/599526163.db2.gz BJPIXHAWBWKCEX-SNVBAGLBSA-N -1 3 386.799 2.848 20 5 GFBDHM CC(C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255827 607552423 /nfs/dbraw/zinc/55/24/23/607552423.db2.gz ZQGGYPCRXWRRRY-SFHVURJKSA-N -1 3 382.424 2.971 20 5 GFBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1-c1nnn[n-]1 ZINC000826304602 607572214 /nfs/dbraw/zinc/57/22/14/607572214.db2.gz RGPXWXYVMKLFAD-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826401385 607594656 /nfs/dbraw/zinc/59/46/56/607594656.db2.gz XALAYYINNNENCS-XFXZXTDPSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826401385 607594659 /nfs/dbraw/zinc/59/46/59/607594659.db2.gz XALAYYINNNENCS-XFXZXTDPSA-N -1 3 390.403 2.979 20 5 GFBDHM COc1ccc(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1OC ZINC000826192373 607635793 /nfs/dbraw/zinc/63/57/93/607635793.db2.gz LBNGSIHJFZGAEM-UHFFFAOYSA-N -1 3 384.396 2.837 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826243979 607709916 /nfs/dbraw/zinc/70/99/16/607709916.db2.gz CKKAEZHZCFOJCL-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826243979 607709917 /nfs/dbraw/zinc/70/99/17/607709917.db2.gz CKKAEZHZCFOJCL-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000833417814 604947600 /nfs/dbraw/zinc/94/76/00/604947600.db2.gz YPSPHMYQEJHKTN-XJKSGUPXSA-N -1 3 375.425 2.523 20 5 GFBDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000833415463 605178471 /nfs/dbraw/zinc/17/84/71/605178471.db2.gz VYWSVBXWCSBAPW-LJQANCHMSA-N -1 3 397.431 2.926 20 5 GFBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821617157 606045013 /nfs/dbraw/zinc/04/50/13/606045013.db2.gz ZMTUBXNNRDEIOM-UHFFFAOYSA-N -1 3 385.331 2.887 20 5 GFBDHM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821617157 606045016 /nfs/dbraw/zinc/04/50/16/606045016.db2.gz ZMTUBXNNRDEIOM-UHFFFAOYSA-N -1 3 385.331 2.887 20 5 GFBDHM COC1CCC(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821679922 606103420 /nfs/dbraw/zinc/10/34/20/606103420.db2.gz RMXLSQVCIJARKT-UHFFFAOYSA-N -1 3 383.412 2.940 20 5 GFBDHM COC1CCC(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821679922 606103422 /nfs/dbraw/zinc/10/34/22/606103422.db2.gz RMXLSQVCIJARKT-UHFFFAOYSA-N -1 3 383.412 2.940 20 5 GFBDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC000821702822 606346572 /nfs/dbraw/zinc/34/65/72/606346572.db2.gz BUFMCODBAIVMKB-JTQLQIEISA-N -1 3 399.363 2.710 20 5 GFBDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000821702822 606346574 /nfs/dbraw/zinc/34/65/74/606346574.db2.gz BUFMCODBAIVMKB-JTQLQIEISA-N -1 3 399.363 2.710 20 5 GFBDHM C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820507000 606359229 /nfs/dbraw/zinc/35/92/29/606359229.db2.gz FGOZDDXVWVIVLX-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@H](OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820507000 606359231 /nfs/dbraw/zinc/35/92/31/606359231.db2.gz FGOZDDXVWVIVLX-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822228750 606444410 /nfs/dbraw/zinc/44/44/10/606444410.db2.gz DRFOBNLSTYJDSL-NSHDSACASA-N -1 3 399.386 2.783 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822228750 606444411 /nfs/dbraw/zinc/44/44/11/606444411.db2.gz DRFOBNLSTYJDSL-NSHDSACASA-N -1 3 399.386 2.783 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2nnn[n-]2)cs1 ZINC000823440169 606468297 /nfs/dbraw/zinc/46/82/97/606468297.db2.gz GADMYEVHINVVTG-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2nn[n-]n2)cs1 ZINC000823440169 606468298 /nfs/dbraw/zinc/46/82/98/606468298.db2.gz GADMYEVHINVVTG-UHFFFAOYSA-N -1 3 398.360 2.848 20 5 GFBDHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026672 606720494 /nfs/dbraw/zinc/72/04/94/606720494.db2.gz LJHGBNDLUDWLKM-OAHLLOKOSA-N -1 3 379.384 2.627 20 5 GFBDHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026672 606720496 /nfs/dbraw/zinc/72/04/96/606720496.db2.gz LJHGBNDLUDWLKM-OAHLLOKOSA-N -1 3 379.384 2.627 20 5 GFBDHM Cc1cc(=O)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822160958 606785761 /nfs/dbraw/zinc/78/57/61/606785761.db2.gz MJSSXMYTUKHKSC-UHFFFAOYSA-N -1 3 388.387 2.960 20 5 GFBDHM Cc1cc(=O)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822160958 606785762 /nfs/dbraw/zinc/78/57/62/606785762.db2.gz MJSSXMYTUKHKSC-UHFFFAOYSA-N -1 3 388.387 2.960 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821417844 606991454 /nfs/dbraw/zinc/99/14/54/606991454.db2.gz UKULGXJZAWKGEN-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821417844 606991455 /nfs/dbraw/zinc/99/14/55/606991455.db2.gz UKULGXJZAWKGEN-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826272294 607866881 /nfs/dbraw/zinc/86/68/81/607866881.db2.gz CHYLDSXOJYBUKI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CCc1ccc(OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825717931 607893057 /nfs/dbraw/zinc/89/30/57/607893057.db2.gz RIYVZQLGYTWGTI-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM CCc1ccc(OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825717931 607893058 /nfs/dbraw/zinc/89/30/58/607893058.db2.gz RIYVZQLGYTWGTI-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000826497697 608099280 /nfs/dbraw/zinc/09/92/80/608099280.db2.gz QJNIAOYQGLTGLE-ZDUSSCGKSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000826497697 608099281 /nfs/dbraw/zinc/09/92/81/608099281.db2.gz QJNIAOYQGLTGLE-ZDUSSCGKSA-N -1 3 383.387 2.995 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825972072 608105905 /nfs/dbraw/zinc/10/59/05/608105905.db2.gz UWLVMVUERIOXKN-UHFFFAOYSA-N -1 3 377.364 2.528 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825972072 608105906 /nfs/dbraw/zinc/10/59/06/608105906.db2.gz UWLVMVUERIOXKN-UHFFFAOYSA-N -1 3 377.364 2.528 20 5 GFBDHM CN(C)c1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825879930 608129631 /nfs/dbraw/zinc/12/96/31/608129631.db2.gz STTCUZVVLZQCRV-UHFFFAOYSA-N -1 3 396.407 2.517 20 5 GFBDHM CN(C)c1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825879930 608129632 /nfs/dbraw/zinc/12/96/32/608129632.db2.gz STTCUZVVLZQCRV-UHFFFAOYSA-N -1 3 396.407 2.517 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000826497990 608153962 /nfs/dbraw/zinc/15/39/62/608153962.db2.gz CBFFCMZOTFRFAO-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000826497990 608153963 /nfs/dbraw/zinc/15/39/63/608153963.db2.gz CBFFCMZOTFRFAO-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824721939 608183514 /nfs/dbraw/zinc/18/35/14/608183514.db2.gz FPYPOEMIUPECGQ-NSHDSACASA-N -1 3 382.380 2.759 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824721939 608183515 /nfs/dbraw/zinc/18/35/15/608183515.db2.gz FPYPOEMIUPECGQ-NSHDSACASA-N -1 3 382.380 2.759 20 5 GFBDHM Cn1ncc2c1CCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366660 608366284 /nfs/dbraw/zinc/36/62/84/608366284.db2.gz SIGOIRLUKHISRW-AWEZNQCLSA-N -1 3 391.395 2.546 20 5 GFBDHM Cn1ncc2c1CCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366660 608366287 /nfs/dbraw/zinc/36/62/87/608366287.db2.gz SIGOIRLUKHISRW-AWEZNQCLSA-N -1 3 391.395 2.546 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826168758 608374100 /nfs/dbraw/zinc/37/41/00/608374100.db2.gz XSUAZNWZXIFPSQ-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826168758 608374102 /nfs/dbraw/zinc/37/41/02/608374102.db2.gz XSUAZNWZXIFPSQ-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627451 608465570 /nfs/dbraw/zinc/46/55/70/608465570.db2.gz XIHOEEAPZFMZIA-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627451 608465572 /nfs/dbraw/zinc/46/55/72/608465572.db2.gz XIHOEEAPZFMZIA-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341250 608471163 /nfs/dbraw/zinc/47/11/63/608471163.db2.gz BNOBIQPSUOCVJW-WDEREUQCSA-N -1 3 399.411 2.663 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500407 608852027 /nfs/dbraw/zinc/85/20/27/608852027.db2.gz XOHKZJIGDJRDKM-LKJUBWIJSA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500407 608852031 /nfs/dbraw/zinc/85/20/31/608852031.db2.gz XOHKZJIGDJRDKM-LKJUBWIJSA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826500623 609280164 /nfs/dbraw/zinc/28/01/64/609280164.db2.gz FPQGZWGWMPAHFW-UHFFFAOYSA-N -1 3 380.343 2.712 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000826173898 609313153 /nfs/dbraw/zinc/31/31/53/609313153.db2.gz ZYYJCQYXRBRWSC-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000826173898 609313156 /nfs/dbraw/zinc/31/31/56/609313156.db2.gz ZYYJCQYXRBRWSC-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943802 609477149 /nfs/dbraw/zinc/47/71/49/609477149.db2.gz UJIVRVFEXUWZAM-ACCUITESSA-N -1 3 378.392 2.837 20 5 GFBDHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943802 609477151 /nfs/dbraw/zinc/47/71/51/609477151.db2.gz UJIVRVFEXUWZAM-ACCUITESSA-N -1 3 378.392 2.837 20 5 GFBDHM O=C1[C@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478292 609575823 /nfs/dbraw/zinc/57/58/23/609575823.db2.gz YKWBEMUKIIIBQP-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478292 609575826 /nfs/dbraw/zinc/57/58/26/609575826.db2.gz YKWBEMUKIIIBQP-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(F)F ZINC000827881068 660521020 /nfs/dbraw/zinc/52/10/20/660521020.db2.gz AAWPETHUUQPDTE-ZETCQYMHSA-N -1 3 387.202 2.927 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cs1 ZINC000267598842 654937106 /nfs/dbraw/zinc/93/71/06/654937106.db2.gz CZYOQAMMWPTMCU-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM CC(C)COCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158115762 655104777 /nfs/dbraw/zinc/10/47/77/655104777.db2.gz AZKBXPBSLUJKJY-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cc1[N+](=O)[O-] ZINC000118941661 655283471 /nfs/dbraw/zinc/28/34/71/655283471.db2.gz ZQLQMQFEQXQHII-UHFFFAOYSA-N -1 3 392.220 2.710 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2Cl)c(Cl)c1 ZINC000120900810 655346460 /nfs/dbraw/zinc/34/64/60/655346460.db2.gz VQNPFIDEVFOUPV-CYBMUJFWSA-N -1 3 391.232 2.914 20 5 GFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000758445973 655932986 /nfs/dbraw/zinc/93/29/86/655932986.db2.gz YCUPQTBHXYODMF-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779907361 656962216 /nfs/dbraw/zinc/96/22/16/656962216.db2.gz QXBJKIPTAYOSPJ-SNVBAGLBSA-N -1 3 390.870 2.938 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000784359375 657303021 /nfs/dbraw/zinc/30/30/21/657303021.db2.gz PLQWEAAGGOTLGW-SNVBAGLBSA-N -1 3 395.300 2.921 20 5 GFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790826468 658030369 /nfs/dbraw/zinc/03/03/69/658030369.db2.gz LNTUFXPWIWRBGE-UHFFFAOYSA-N -1 3 385.423 2.968 20 5 GFBDHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000809821965 659943367 /nfs/dbraw/zinc/94/33/67/659943367.db2.gz VUSNESAHQRUOPY-UHFFFAOYSA-N -1 3 393.252 2.849 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000814990025 660100308 /nfs/dbraw/zinc/10/03/08/660100308.db2.gz YEVTWDZADIMCFK-WDEREUQCSA-N -1 3 393.868 2.929 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1(F)F ZINC000849461497 661730291 /nfs/dbraw/zinc/73/02/91/661730291.db2.gz ZBBWHZUSTRGAFR-SNVBAGLBSA-N -1 3 385.186 2.681 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1 ZINC000042097395 551138156 /nfs/dbraw/zinc/13/81/56/551138156.db2.gz GSYQQMLTSAOHBU-UHFFFAOYSA-N -1 3 385.442 2.743 20 5 GFBDHM O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Cl)cc1[O-] ZINC000153560212 551455293 /nfs/dbraw/zinc/45/52/93/551455293.db2.gz MRCBEJJZSPHWFN-UHFFFAOYSA-N -1 3 384.175 2.976 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1ncc(C)s1)C1CC1 ZINC000173488289 552086514 /nfs/dbraw/zinc/08/65/14/552086514.db2.gz NBISLCNAYCXCAO-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000246501185 553108369 /nfs/dbraw/zinc/10/83/69/553108369.db2.gz BYKAIVSCJKYDOF-WCBZVUCDSA-N -1 3 394.902 2.606 20 5 GFBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000295451226 563248366 /nfs/dbraw/zinc/24/83/66/563248366.db2.gz NRHGUWPFXRTRGJ-UHFFFAOYSA-N -1 3 384.801 2.766 20 5 GFBDHM COC(=O)c1cnc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1 ZINC000302776943 563429592 /nfs/dbraw/zinc/42/95/92/563429592.db2.gz PFEPAIDMEFCTCV-UHFFFAOYSA-N -1 3 382.170 2.857 20 5 GFBDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000327497320 563458862 /nfs/dbraw/zinc/45/88/62/563458862.db2.gz AFTZXYMGFCOCQV-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429792926 563522418 /nfs/dbraw/zinc/52/24/18/563522418.db2.gz LLOSLQHUKVNAIU-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429792926 563522421 /nfs/dbraw/zinc/52/24/21/563522421.db2.gz LLOSLQHUKVNAIU-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000409913749 563574887 /nfs/dbraw/zinc/57/48/87/563574887.db2.gz AFQGSBGDGXUGCP-UHFFFAOYSA-N -1 3 382.360 2.846 20 5 GFBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000435629995 563655735 /nfs/dbraw/zinc/65/57/35/563655735.db2.gz VPTJJTGLNAISMH-PSASIEDQSA-N -1 3 393.259 2.751 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291864994 563762220 /nfs/dbraw/zinc/76/22/20/563762220.db2.gz FLKCVZGMIQFXFQ-MEDUHNTESA-N -1 3 382.463 2.778 20 5 GFBDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410890 563824567 /nfs/dbraw/zinc/82/45/67/563824567.db2.gz YGMXXOMYKUPZQC-CMPLNLGQSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000416454143 563830580 /nfs/dbraw/zinc/83/05/80/563830580.db2.gz HRKZXYOITCYUTR-NSHDSACASA-N -1 3 382.360 2.851 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000416563480 563849290 /nfs/dbraw/zinc/84/92/90/563849290.db2.gz RMRNZXDIVXULEF-QRTLGDNMSA-N -1 3 375.244 2.824 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(C)C ZINC000416639461 563856598 /nfs/dbraw/zinc/85/65/98/563856598.db2.gz ASUYHIKCKMJIKW-LLVKDONJSA-N -1 3 384.376 2.953 20 5 GFBDHM CCc1ncc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000564752586 564247409 /nfs/dbraw/zinc/24/74/09/564247409.db2.gz QDLAPMLCMVDFPV-UHFFFAOYSA-N -1 3 380.451 2.616 20 5 GFBDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862393 564299892 /nfs/dbraw/zinc/29/98/92/564299892.db2.gz XFXFYGANGWQKON-UWVGGRQHSA-N -1 3 379.385 2.831 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451655955 564335950 /nfs/dbraw/zinc/33/59/50/564335950.db2.gz RNOWVQJXPQQVAY-NSHDSACASA-N -1 3 384.376 2.847 20 5 GFBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452062477 564387874 /nfs/dbraw/zinc/38/78/74/564387874.db2.gz SMPBYBCFOCNGHW-CHWSQXEVSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000544596127 564389608 /nfs/dbraw/zinc/38/96/08/564389608.db2.gz NPPQCMGTQXTYTR-LBPRGKRZSA-N -1 3 388.804 2.708 20 5 GFBDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480746420 564485672 /nfs/dbraw/zinc/48/56/72/564485672.db2.gz BJGZYGKQGQLRSN-SNVBAGLBSA-N -1 3 378.834 2.647 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000516341577 564499854 /nfs/dbraw/zinc/49/98/54/564499854.db2.gz IWVNFHRJBMQYAX-HNNXBMFYSA-N -1 3 383.857 2.829 20 5 GFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000454397686 564509219 /nfs/dbraw/zinc/50/92/19/564509219.db2.gz WFESUORQYMTDDN-UHFFFAOYSA-N -1 3 381.435 2.586 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000481788836 564524547 /nfs/dbraw/zinc/52/45/47/564524547.db2.gz YPNMYDFYNDIQKQ-UHFFFAOYSA-N -1 3 381.179 2.699 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000519692061 564587148 /nfs/dbraw/zinc/58/71/48/564587148.db2.gz ISYPQEWYTAHESQ-HNNXBMFYSA-N -1 3 386.426 2.562 20 5 GFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486636428 564660423 /nfs/dbraw/zinc/66/04/23/564660423.db2.gz FDFKPWQSWVTCMN-IUCAKERBSA-N -1 3 387.849 2.919 20 5 GFBDHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486636428 564660427 /nfs/dbraw/zinc/66/04/27/564660427.db2.gz FDFKPWQSWVTCMN-IUCAKERBSA-N -1 3 387.849 2.919 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N=c1cc2ccccn2[n-]1 ZINC000553330967 564716596 /nfs/dbraw/zinc/71/65/96/564716596.db2.gz OCTLEABGIUGEGV-UHFFFAOYSA-N -1 3 375.182 2.608 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(N)ccc2O1 ZINC000577109950 564725672 /nfs/dbraw/zinc/72/56/72/564725672.db2.gz NOAUEOXDHIIRMC-NSHDSACASA-N -1 3 383.451 2.819 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462494056 564843496 /nfs/dbraw/zinc/84/34/96/564843496.db2.gz XEBMJTSKESYLCR-WPRPVWTQSA-N -1 3 382.269 2.663 20 5 GFBDHM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000497654827 564872748 /nfs/dbraw/zinc/87/27/48/564872748.db2.gz CZIGKIYHFIFUNS-UHFFFAOYSA-N -1 3 382.467 2.982 20 5 GFBDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000531333896 564907504 /nfs/dbraw/zinc/90/75/04/564907504.db2.gz ZBSGYFNKUJFGKG-UHFFFAOYSA-N -1 3 390.845 2.793 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000499640386 564932856 /nfs/dbraw/zinc/93/28/56/564932856.db2.gz GRFZVLUUWDJBPJ-VIFPVBQESA-N -1 3 382.360 2.846 20 5 GFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500157521 564946926 /nfs/dbraw/zinc/94/69/26/564946926.db2.gz OCUMEJQIUHYYGL-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048602 564954740 /nfs/dbraw/zinc/95/47/40/564954740.db2.gz UIXXTPLAXVXPPE-BBRMVZONSA-N -1 3 381.479 2.688 20 5 GFBDHM Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1[O-] ZINC000534709429 564994973 /nfs/dbraw/zinc/99/49/73/564994973.db2.gz PYOYZSXPDBVLGU-UHFFFAOYSA-N -1 3 384.797 2.918 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503766541 565027917 /nfs/dbraw/zinc/02/79/17/565027917.db2.gz SZCJKGORNRISMC-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592076205 565253071 /nfs/dbraw/zinc/25/30/71/565253071.db2.gz WUMZNLBFANCLLF-LLVKDONJSA-N -1 3 378.834 2.504 20 5 GFBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113619 565257901 /nfs/dbraw/zinc/25/79/01/565257901.db2.gz OBAYABUEMGDVBG-XCBNKYQSSA-N -1 3 381.273 2.530 20 5 GFBDHM O=C([O-])CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC1 ZINC000594540294 565397784 /nfs/dbraw/zinc/39/77/84/565397784.db2.gz WVMZPJSWPLWOHE-UHFFFAOYSA-N -1 3 390.177 2.639 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594850173 565429448 /nfs/dbraw/zinc/42/94/48/565429448.db2.gz CGWIQGPWGAMOGP-SNVBAGLBSA-N -1 3 385.186 2.681 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccs1 ZINC000609673697 566049519 /nfs/dbraw/zinc/04/95/19/566049519.db2.gz IZYVAYCARZAXIT-LBPRGKRZSA-N -1 3 384.435 2.547 20 5 GFBDHM Cc1ccc(NCCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737360683 598889361 /nfs/dbraw/zinc/88/93/61/598889361.db2.gz ACTXMJUTRFYZLG-UHFFFAOYSA-N -1 3 396.411 2.707 20 5 GFBDHM Cc1ccc(NCCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737360683 598889362 /nfs/dbraw/zinc/88/93/62/598889362.db2.gz ACTXMJUTRFYZLG-UHFFFAOYSA-N -1 3 396.411 2.707 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]21 ZINC000820583082 599041620 /nfs/dbraw/zinc/04/16/20/599041620.db2.gz BBNYRIJCBRHLFV-SSKCKEOISA-N -1 3 395.423 2.939 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]21 ZINC000820583082 599041623 /nfs/dbraw/zinc/04/16/23/599041623.db2.gz BBNYRIJCBRHLFV-SSKCKEOISA-N -1 3 395.423 2.939 20 5 GFBDHM CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736758338 599058930 /nfs/dbraw/zinc/05/89/30/599058930.db2.gz GGSZSYWEKQSUJV-HNNXBMFYSA-N -1 3 389.366 2.768 20 5 GFBDHM CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736758338 599058933 /nfs/dbraw/zinc/05/89/33/599058933.db2.gz GGSZSYWEKQSUJV-HNNXBMFYSA-N -1 3 389.366 2.768 20 5 GFBDHM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737090830 599255433 /nfs/dbraw/zinc/25/54/33/599255433.db2.gz NDCTXQZFRKRTIY-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737090830 599255435 /nfs/dbraw/zinc/25/54/35/599255435.db2.gz NDCTXQZFRKRTIY-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM CN(CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000736801440 599261635 /nfs/dbraw/zinc/26/16/35/599261635.db2.gz VCTNGMHRSFRQOT-UHFFFAOYSA-N -1 3 390.407 2.871 20 5 GFBDHM CN(CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000736801440 599261637 /nfs/dbraw/zinc/26/16/37/599261637.db2.gz VCTNGMHRSFRQOT-UHFFFAOYSA-N -1 3 390.407 2.871 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC3(Cl)Cl)cc(-c3nnn[n-]3)c2c1 ZINC000738367566 599258367 /nfs/dbraw/zinc/25/83/67/599258367.db2.gz VQZRVOBTCAUKPA-ZETCQYMHSA-N -1 3 380.195 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC3(Cl)Cl)cc(-c3nn[n-]n3)c2c1 ZINC000738367566 599258368 /nfs/dbraw/zinc/25/83/68/599258368.db2.gz VQZRVOBTCAUKPA-ZETCQYMHSA-N -1 3 380.195 2.929 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738102938 598302786 /nfs/dbraw/zinc/30/27/86/598302786.db2.gz VOQOYXYFKZOGAE-UHFFFAOYSA-N -1 3 382.311 2.590 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738102938 598302789 /nfs/dbraw/zinc/30/27/89/598302789.db2.gz VOQOYXYFKZOGAE-UHFFFAOYSA-N -1 3 382.311 2.590 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370797 598390323 /nfs/dbraw/zinc/39/03/23/598390323.db2.gz QLLFKOYGDBLTBA-NSHDSACASA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370797 598390324 /nfs/dbraw/zinc/39/03/24/598390324.db2.gz QLLFKOYGDBLTBA-NSHDSACASA-N -1 3 387.350 2.744 20 5 GFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000736679508 598494733 /nfs/dbraw/zinc/49/47/33/598494733.db2.gz WCLREYQEPNEFNR-UHFFFAOYSA-N -1 3 388.409 2.589 20 5 GFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000736679508 598494735 /nfs/dbraw/zinc/49/47/35/598494735.db2.gz WCLREYQEPNEFNR-UHFFFAOYSA-N -1 3 388.409 2.589 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738374243 598503247 /nfs/dbraw/zinc/50/32/47/598503247.db2.gz LPCMCMQSVKAOQW-UHFFFAOYSA-N -1 3 383.759 2.753 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738374243 598503248 /nfs/dbraw/zinc/50/32/48/598503248.db2.gz LPCMCMQSVKAOQW-UHFFFAOYSA-N -1 3 383.759 2.753 20 5 GFBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738165979 598576881 /nfs/dbraw/zinc/57/68/81/598576881.db2.gz NXOCSTHMKZYIHS-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821616968 599320306 /nfs/dbraw/zinc/32/03/06/599320306.db2.gz QLIXBLOOHLVDBP-UHFFFAOYSA-N -1 3 376.380 2.597 20 5 GFBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821616968 599320309 /nfs/dbraw/zinc/32/03/09/599320309.db2.gz QLIXBLOOHLVDBP-UHFFFAOYSA-N -1 3 376.380 2.597 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CCO1 ZINC000736294871 599472346 /nfs/dbraw/zinc/47/23/46/599472346.db2.gz SEBNHEJNCVQUQN-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CCO1 ZINC000736294871 599472347 /nfs/dbraw/zinc/47/23/47/599472347.db2.gz SEBNHEJNCVQUQN-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822230690 599474182 /nfs/dbraw/zinc/47/41/82/599474182.db2.gz NPRLLZYFQNOKEQ-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822230690 599474186 /nfs/dbraw/zinc/47/41/86/599474186.db2.gz NPRLLZYFQNOKEQ-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM CC(C)COC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820097723 599487253 /nfs/dbraw/zinc/48/72/53/599487253.db2.gz SMIHMUWLWMNMFE-UHFFFAOYSA-N -1 3 397.439 2.965 20 5 GFBDHM CC(C)COC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820097723 599487256 /nfs/dbraw/zinc/48/72/56/599487256.db2.gz SMIHMUWLWMNMFE-UHFFFAOYSA-N -1 3 397.439 2.965 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000820468214 599570848 /nfs/dbraw/zinc/57/08/48/599570848.db2.gz SHYSQSIHQNOLHF-KRWDZBQOSA-N -1 3 397.420 2.704 20 5 GFBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccsc1 ZINC000820468214 599570850 /nfs/dbraw/zinc/57/08/50/599570850.db2.gz SHYSQSIHQNOLHF-KRWDZBQOSA-N -1 3 397.420 2.704 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCO[C@H]21 ZINC000820584887 599570995 /nfs/dbraw/zinc/57/09/95/599570995.db2.gz KWGKQOGLGJWMDC-AMKSKSKJSA-N -1 3 381.396 2.549 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCO[C@H]21 ZINC000820584887 599570997 /nfs/dbraw/zinc/57/09/97/599570997.db2.gz KWGKQOGLGJWMDC-AMKSKSKJSA-N -1 3 381.396 2.549 20 5 GFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)CC1(C)OCCO1 ZINC000820276543 599685552 /nfs/dbraw/zinc/68/55/52/599685552.db2.gz XOXMKQAKWWJUCH-LLVKDONJSA-N -1 3 399.411 2.524 20 5 GFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)CC1(C)OCCO1 ZINC000820276543 599685553 /nfs/dbraw/zinc/68/55/53/599685553.db2.gz XOXMKQAKWWJUCH-LLVKDONJSA-N -1 3 399.411 2.524 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820164830 607406833 /nfs/dbraw/zinc/40/68/33/607406833.db2.gz LXYYELNWIMXQII-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820164830 607406834 /nfs/dbraw/zinc/40/68/34/607406834.db2.gz LXYYELNWIMXQII-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826428023 607447203 /nfs/dbraw/zinc/44/72/03/607447203.db2.gz LRSIWHIMZOPAMI-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826428023 607447204 /nfs/dbraw/zinc/44/72/04/607447204.db2.gz LRSIWHIMZOPAMI-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=[N+]([O-])c1cnn(CCSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823651715 607480085 /nfs/dbraw/zinc/48/00/85/607480085.db2.gz OFWNRAVRHHJUBD-UHFFFAOYSA-N -1 3 397.367 2.506 20 5 GFBDHM O=[N+]([O-])c1cnn(CCSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000823651715 607480087 /nfs/dbraw/zinc/48/00/87/607480087.db2.gz OFWNRAVRHHJUBD-UHFFFAOYSA-N -1 3 397.367 2.506 20 5 GFBDHM COc1ccc(NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395040 601202115 /nfs/dbraw/zinc/20/21/15/601202115.db2.gz ZHWDVVMBAXLQIO-XIKOKIGWSA-N -1 3 387.392 2.594 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCn4ccnc43)cc(-c3nnn[n-]3)c2c1 ZINC000826499268 607558552 /nfs/dbraw/zinc/55/85/52/607558552.db2.gz BWTIXDQPLOYSFZ-LLVKDONJSA-N -1 3 391.395 2.509 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCn4ccnc43)cc(-c3nn[n-]n3)c2c1 ZINC000826499268 607558553 /nfs/dbraw/zinc/55/85/53/607558553.db2.gz BWTIXDQPLOYSFZ-LLVKDONJSA-N -1 3 391.395 2.509 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000121989084 607575591 /nfs/dbraw/zinc/57/55/91/607575591.db2.gz KOCNTOGOQUONPA-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000121989084 607575593 /nfs/dbraw/zinc/57/55/93/607575593.db2.gz KOCNTOGOQUONPA-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1-c1nnn[n-]1 ZINC000826205554 607602894 /nfs/dbraw/zinc/60/28/94/607602894.db2.gz AHTKJGURMZTQTC-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1-c1nn[n-]n1 ZINC000826205554 607602896 /nfs/dbraw/zinc/60/28/96/607602896.db2.gz AHTKJGURMZTQTC-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(OCCN2CCC([C@H]3CCCN3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829499731 604037727 /nfs/dbraw/zinc/03/77/27/604037727.db2.gz CCHWMMBJTLMMEY-MRXNPFEDSA-N -1 3 393.440 2.837 20 5 GFBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1sccc1-c1nnn[n-]1 ZINC000823031534 606172157 /nfs/dbraw/zinc/17/21/57/606172157.db2.gz DAVLOQQLLPNRKP-UHFFFAOYSA-N -1 3 380.773 2.507 20 5 GFBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1sccc1-c1nn[n-]n1 ZINC000823031534 606172159 /nfs/dbraw/zinc/17/21/59/606172159.db2.gz DAVLOQQLLPNRKP-UHFFFAOYSA-N -1 3 380.773 2.507 20 5 GFBDHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640512 606416749 /nfs/dbraw/zinc/41/67/49/606416749.db2.gz JVUVRIYPMYGBCM-PXAZEXFGSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640512 606416751 /nfs/dbraw/zinc/41/67/51/606416751.db2.gz JVUVRIYPMYGBCM-PXAZEXFGSA-N -1 3 396.407 2.648 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(CO)CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643803 606432780 /nfs/dbraw/zinc/43/27/80/606432780.db2.gz BOQOGUVUAWIWLC-UHFFFAOYSA-N -1 3 383.412 2.678 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC3(CO)CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643803 606432782 /nfs/dbraw/zinc/43/27/82/606432782.db2.gz BOQOGUVUAWIWLC-UHFFFAOYSA-N -1 3 383.412 2.678 20 5 GFBDHM Cc1cnc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000822399617 606590866 /nfs/dbraw/zinc/59/08/66/606590866.db2.gz KWZKDEHSONIQDK-UHFFFAOYSA-N -1 3 378.295 2.659 20 5 GFBDHM Cc1cnc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000822399617 606590867 /nfs/dbraw/zinc/59/08/67/606590867.db2.gz KWZKDEHSONIQDK-UHFFFAOYSA-N -1 3 378.295 2.659 20 5 GFBDHM Cc1ccc([C@@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230323 606623350 /nfs/dbraw/zinc/62/33/50/606623350.db2.gz CPEXWEULQCCQBK-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([C@@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822230323 606623351 /nfs/dbraw/zinc/62/33/51/606623351.db2.gz CPEXWEULQCCQBK-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM CCOC(=O)c1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821337556 606918857 /nfs/dbraw/zinc/91/88/57/606918857.db2.gz KEGHWZLTITUSPU-UHFFFAOYSA-N -1 3 382.380 2.588 20 5 GFBDHM CCOC(=O)c1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821337556 606918858 /nfs/dbraw/zinc/91/88/58/606918858.db2.gz KEGHWZLTITUSPU-UHFFFAOYSA-N -1 3 382.380 2.588 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823414048 607074617 /nfs/dbraw/zinc/07/46/17/607074617.db2.gz QQPCPNRIKDIRPR-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823414048 607074618 /nfs/dbraw/zinc/07/46/18/607074618.db2.gz QQPCPNRIKDIRPR-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826300237 607867251 /nfs/dbraw/zinc/86/72/51/607867251.db2.gz NFZJIIHTEOWASQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826408088 608121634 /nfs/dbraw/zinc/12/16/34/608121634.db2.gz PCMRFALYVNIJBT-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826408088 608121635 /nfs/dbraw/zinc/12/16/35/608121635.db2.gz PCMRFALYVNIJBT-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824936324 608163030 /nfs/dbraw/zinc/16/30/30/608163030.db2.gz GESMMISCKYISSJ-RNCFNFMXSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824936324 608163032 /nfs/dbraw/zinc/16/30/32/608163032.db2.gz GESMMISCKYISSJ-RNCFNFMXSA-N -1 3 394.819 2.962 20 5 GFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826467165 608254595 /nfs/dbraw/zinc/25/45/95/608254595.db2.gz JTIRMJAVFJTLHE-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826467165 608254596 /nfs/dbraw/zinc/25/45/96/608254596.db2.gz JTIRMJAVFJTLHE-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824487878 608417670 /nfs/dbraw/zinc/41/76/70/608417670.db2.gz CVPXQDOZOVATHT-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824487878 608417671 /nfs/dbraw/zinc/41/76/71/608417671.db2.gz CVPXQDOZOVATHT-NEPJUHHUSA-N -1 3 381.396 2.896 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826230977 608438630 /nfs/dbraw/zinc/43/86/30/608438630.db2.gz RFPQTLGLBFQCHX-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826230977 608438632 /nfs/dbraw/zinc/43/86/32/608438632.db2.gz RFPQTLGLBFQCHX-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM Cc1cnc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000826319341 608557975 /nfs/dbraw/zinc/55/79/75/608557975.db2.gz YMPSNPIZTOALNL-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1cnc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000826319341 608557977 /nfs/dbraw/zinc/55/79/77/608557977.db2.gz YMPSNPIZTOALNL-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cn1cc(CNc2cccc(-c3nnn[n-]3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826361588 608872024 /nfs/dbraw/zinc/87/20/24/608872024.db2.gz DTTXVOJBABPZBX-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM Cn1cc(CNc2cccc(-c3nn[n-]n3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826361588 608872026 /nfs/dbraw/zinc/87/20/26/608872026.db2.gz DTTXVOJBABPZBX-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470547 609311955 /nfs/dbraw/zinc/31/19/55/609311955.db2.gz JIDIBMZQRSEWGM-JTQLQIEISA-N -1 3 388.334 2.744 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464539 609352964 /nfs/dbraw/zinc/35/29/64/609352964.db2.gz AYQJWYGKMUIXNM-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464539 609352966 /nfs/dbraw/zinc/35/29/66/609352966.db2.gz AYQJWYGKMUIXNM-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542870564 609370460 /nfs/dbraw/zinc/37/04/60/609370460.db2.gz UMIGGFNWCFKBHZ-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542870564 609370463 /nfs/dbraw/zinc/37/04/63/609370463.db2.gz UMIGGFNWCFKBHZ-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)ccc1Br ZINC000841563674 661302781 /nfs/dbraw/zinc/30/27/81/661302781.db2.gz TWEQXXQYRPFXLV-GHMZBOCLSA-N -1 3 381.223 2.916 20 5 GFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836477460 660909410 /nfs/dbraw/zinc/90/94/10/660909410.db2.gz JVABQXGMNPQHDC-UHFFFAOYSA-N -1 3 390.190 2.752 20 5 GFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836477460 660909414 /nfs/dbraw/zinc/90/94/14/660909414.db2.gz JVABQXGMNPQHDC-UHFFFAOYSA-N -1 3 390.190 2.752 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2C1 ZINC000044770862 654663991 /nfs/dbraw/zinc/66/39/91/654663991.db2.gz JQDAPBWEDPEINQ-LLVKDONJSA-N -1 3 382.825 2.778 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000268821838 654988038 /nfs/dbraw/zinc/98/80/38/654988038.db2.gz XQPZQEULBOYUNA-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000101568765 655044065 /nfs/dbraw/zinc/04/40/65/655044065.db2.gz PLSGNQXOVHKOAF-GFCCVEGCSA-N -1 3 389.886 2.891 20 5 GFBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272404427 655111561 /nfs/dbraw/zinc/11/15/61/655111561.db2.gz ZMEIYDMIEIQLIU-UHFFFAOYSA-N -1 3 376.272 2.532 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000725819154 655526620 /nfs/dbraw/zinc/52/66/20/655526620.db2.gz KQTIDKUPAQZEMO-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM CSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746667400 655765862 /nfs/dbraw/zinc/76/58/62/655765862.db2.gz AGNOIYNTAWEACW-QMMMGPOBSA-N -1 3 383.289 2.777 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719547 657323706 /nfs/dbraw/zinc/32/37/06/657323706.db2.gz CBGSBJMMZARICT-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000809808387 659940357 /nfs/dbraw/zinc/94/03/57/659940357.db2.gz QZNUFCQXMXBGBM-WDEREUQCSA-N -1 3 393.868 2.929 20 5 GFBDHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811831406 660016263 /nfs/dbraw/zinc/01/62/63/660016263.db2.gz AAKVLNGDYIGBTN-UHFFFAOYSA-N -1 3 383.813 2.751 20 5 GFBDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000817147456 660183680 /nfs/dbraw/zinc/18/36/80/660183680.db2.gz ZTTLXLVKRJCXCL-MWLCHTKSSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845975848 661515110 /nfs/dbraw/zinc/51/51/10/661515110.db2.gz CEKYVVQIJYAIOG-BDJLRTHQSA-N -1 3 384.841 2.823 20 5 GFBDHM COCC(C)(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000872546976 662776393 /nfs/dbraw/zinc/77/63/93/662776393.db2.gz KSBPNHSDTKRCJV-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000921571833 664553938 /nfs/dbraw/zinc/55/39/38/664553938.db2.gz DDHVXYCTLYYXOH-PSASIEDQSA-N -1 3 388.389 2.743 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c(F)c1 ZINC000056035450 551176110 /nfs/dbraw/zinc/17/61/10/551176110.db2.gz OHVCVEFTZXJJPI-UHFFFAOYSA-N -1 3 384.776 2.514 20 5 GFBDHM O=[N+]([O-])c1c(NCC[N-]S(=O)(=O)c2cccs2)ccc2ncccc21 ZINC000120002067 551218765 /nfs/dbraw/zinc/21/87/65/551218765.db2.gz GGFBJVNQXUEXSK-UHFFFAOYSA-N -1 3 378.435 2.595 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000122397536 551297765 /nfs/dbraw/zinc/29/77/65/551297765.db2.gz KSZZKXFYBPAKND-UHFFFAOYSA-N -1 3 385.467 2.890 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)cs1 ZINC000150820471 551402033 /nfs/dbraw/zinc/40/20/33/551402033.db2.gz WLZQGVOLQRVJGD-OAHLLOKOSA-N -1 3 385.467 2.972 20 5 GFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000162860106 551613520 /nfs/dbraw/zinc/61/35/20/551613520.db2.gz LVHMUTGYQKVOGW-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nccs2)c(C(F)(F)F)c1 ZINC000163171201 551617317 /nfs/dbraw/zinc/61/73/17/551617317.db2.gz QSFJCHDOTYCZMH-UHFFFAOYSA-N -1 3 381.357 2.591 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cccn2)c1 ZINC000173826427 552093114 /nfs/dbraw/zinc/09/31/14/552093114.db2.gz TUZOUKMUABVFPF-NSHDSACASA-N -1 3 378.435 2.882 20 5 GFBDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192714647 552971711 /nfs/dbraw/zinc/97/17/11/552971711.db2.gz HNQVOZNSMBLPDV-UHFFFAOYSA-N -1 3 383.813 2.751 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(F)c1 ZINC000429914026 563528785 /nfs/dbraw/zinc/52/87/85/563528785.db2.gz MHLPOHUAAFMHJV-UHFFFAOYSA-N -1 3 382.266 2.769 20 5 GFBDHM COC(=O)c1cnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000429943981 563529450 /nfs/dbraw/zinc/52/94/50/563529450.db2.gz MZWYOSPEJCKKBS-UHFFFAOYSA-N -1 3 386.183 2.853 20 5 GFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(=O)c1ccc(Cl)s1 ZINC000430645058 563546748 /nfs/dbraw/zinc/54/67/48/563546748.db2.gz NLUXWIQAUODDMV-UHFFFAOYSA-N -1 3 376.781 2.943 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000439232599 563719837 /nfs/dbraw/zinc/71/98/37/563719837.db2.gz KRTURKVOFLHEDX-UHFFFAOYSA-N -1 3 391.165 2.896 20 5 GFBDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455215 563831106 /nfs/dbraw/zinc/83/11/06/563831106.db2.gz KDIPOEGOOQNNTP-CABZTGNLSA-N -1 3 382.360 2.707 20 5 GFBDHM CN1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552732 563847187 /nfs/dbraw/zinc/84/71/87/563847187.db2.gz HXMDAXFJLWMGCI-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683549 564339431 /nfs/dbraw/zinc/33/94/31/564339431.db2.gz UXJLLBMFUSLTDT-SKDRFNHKSA-N -1 3 384.376 2.953 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccnc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000451748715 564347919 /nfs/dbraw/zinc/34/79/19/564347919.db2.gz MZFUMOUHONODJL-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824837 564356356 /nfs/dbraw/zinc/35/63/56/564356356.db2.gz PPPRHLGUANSLEA-FZMZJTMJSA-N -1 3 376.862 2.978 20 5 GFBDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831337 564357298 /nfs/dbraw/zinc/35/72/98/564357298.db2.gz ZNAGQUFLDJVFTL-BXUZGUMPSA-N -1 3 376.862 2.978 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893731 564363259 /nfs/dbraw/zinc/36/32/59/564363259.db2.gz CEAAZBZAYDOTDS-OCCSQVGLSA-N -1 3 383.451 2.558 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000546093242 564444627 /nfs/dbraw/zinc/44/46/27/564444627.db2.gz ZQANNASKLZJEAB-MRVPVSSYSA-N -1 3 375.200 2.990 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cn1 ZINC000481225491 564506084 /nfs/dbraw/zinc/50/60/84/564506084.db2.gz ABAGDBNISJLFHV-SSDOTTSWSA-N -1 3 392.256 2.853 20 5 GFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486636426 564660455 /nfs/dbraw/zinc/66/04/55/564660455.db2.gz FDFKPWQSWVTCMN-BDAKNGLRSA-N -1 3 387.849 2.919 20 5 GFBDHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486636426 564660458 /nfs/dbraw/zinc/66/04/58/564660458.db2.gz FDFKPWQSWVTCMN-BDAKNGLRSA-N -1 3 387.849 2.919 20 5 GFBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925617 564660691 /nfs/dbraw/zinc/66/06/91/564660691.db2.gz GREVCIIUFBDVAZ-KOLCDFICSA-N -1 3 384.376 2.689 20 5 GFBDHM Cc1cc(CS(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)on1 ZINC000487372250 564685513 /nfs/dbraw/zinc/68/55/13/564685513.db2.gz XUROHYJHONVBSX-UHFFFAOYSA-N -1 3 379.316 2.530 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000553907249 564744304 /nfs/dbraw/zinc/74/43/04/564744304.db2.gz VVFCVNVYVISPHW-CQSZACIVSA-N -1 3 384.841 2.959 20 5 GFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491587021 564793860 /nfs/dbraw/zinc/79/38/60/564793860.db2.gz UBBCMSREGGPKFI-WCQYABFASA-N -1 3 378.447 2.695 20 5 GFBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493637325 564810089 /nfs/dbraw/zinc/81/00/89/564810089.db2.gz WZGLMGPLXCRPLK-SSDOTTSWSA-N -1 3 381.248 2.751 20 5 GFBDHM CCN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251305 564829543 /nfs/dbraw/zinc/82/95/43/564829543.db2.gz ABJPGQHAYYFSBC-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM COC1(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000584066519 564919171 /nfs/dbraw/zinc/91/91/71/564919171.db2.gz XKYFNLVWFKKAPD-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000532043845 564926560 /nfs/dbraw/zinc/92/65/60/564926560.db2.gz QRKUSSBIYJONPC-AWEZNQCLSA-N -1 3 390.845 2.648 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048604 564954504 /nfs/dbraw/zinc/95/45/04/564954504.db2.gz UIXXTPLAXVXPPE-CZUORRHYSA-N -1 3 381.479 2.688 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CSc2ccccc2O1 ZINC000592067270 565251817 /nfs/dbraw/zinc/25/18/17/565251817.db2.gz CJFAKKKIHGOSJK-GFCCVEGCSA-N -1 3 380.447 2.817 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)nc1 ZINC000593572219 565343454 /nfs/dbraw/zinc/34/34/54/565343454.db2.gz FYHPLUAJCWBFOE-CYBMUJFWSA-N -1 3 383.813 2.835 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486812 565396038 /nfs/dbraw/zinc/39/60/38/565396038.db2.gz IYASIUNNGKHVEV-YPMHNXCESA-N -1 3 382.360 2.682 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594851760 565429615 /nfs/dbraw/zinc/42/96/15/565429615.db2.gz LRRWWBOPORVLMD-JTQLQIEISA-N -1 3 385.186 2.681 20 5 GFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000594850293 565429378 /nfs/dbraw/zinc/42/93/78/565429378.db2.gz DIKYWLLXDNCFJK-KOLCDFICSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352658 566037219 /nfs/dbraw/zinc/03/72/19/566037219.db2.gz BYCAYZQATKVSSU-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000611469332 566131068 /nfs/dbraw/zinc/13/10/68/566131068.db2.gz JXMBSARDVYXTFO-ZANVPECISA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737209420 598882106 /nfs/dbraw/zinc/88/21/06/598882106.db2.gz OPHKQICQFOTNJQ-LLVKDONJSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737209420 598882108 /nfs/dbraw/zinc/88/21/08/598882108.db2.gz OPHKQICQFOTNJQ-LLVKDONJSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737300630 598955243 /nfs/dbraw/zinc/95/52/43/598955243.db2.gz DMLZCWJGMBNWPN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737300630 598955245 /nfs/dbraw/zinc/95/52/45/598955245.db2.gz DMLZCWJGMBNWPN-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000823639539 599049372 /nfs/dbraw/zinc/04/93/72/599049372.db2.gz CSANYSKYTASTDR-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000823644735 599091486 /nfs/dbraw/zinc/09/14/86/599091486.db2.gz LBVZETCPLUNZPS-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640001 599109668 /nfs/dbraw/zinc/10/96/68/599109668.db2.gz ONWBITROVHCDSK-RDTXWAMCSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640001 599109670 /nfs/dbraw/zinc/10/96/70/599109670.db2.gz ONWBITROVHCDSK-RDTXWAMCSA-N -1 3 380.408 2.867 20 5 GFBDHM CN(Cc1ccc(C(F)(F)F)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821609914 599231365 /nfs/dbraw/zinc/23/13/65/599231365.db2.gz RDVBGPASLRHBKY-UHFFFAOYSA-N -1 3 379.302 2.825 20 5 GFBDHM CN(Cc1ccc(C(F)(F)F)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821609914 599231368 /nfs/dbraw/zinc/23/13/68/599231368.db2.gz RDVBGPASLRHBKY-UHFFFAOYSA-N -1 3 379.302 2.825 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823651933 599231773 /nfs/dbraw/zinc/23/17/73/599231773.db2.gz RYKSIFYSDIHOLK-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823651933 599231775 /nfs/dbraw/zinc/23/17/75/599231775.db2.gz RYKSIFYSDIHOLK-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM CCCN(CC(=O)Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821088371 607328341 /nfs/dbraw/zinc/32/83/41/607328341.db2.gz LPRTWUSYCRXFIJ-UHFFFAOYSA-N -1 3 395.423 2.938 20 5 GFBDHM CCCN(CC(=O)Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821088371 607328342 /nfs/dbraw/zinc/32/83/42/607328342.db2.gz LPRTWUSYCRXFIJ-UHFFFAOYSA-N -1 3 395.423 2.938 20 5 GFBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738224826 598432312 /nfs/dbraw/zinc/43/23/12/598432312.db2.gz UYQIWXVNLCTUFS-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738234791 598568737 /nfs/dbraw/zinc/56/87/37/598568737.db2.gz MGMDWXAUVATTMH-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738234791 598568739 /nfs/dbraw/zinc/56/87/39/598568739.db2.gz MGMDWXAUVATTMH-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737355541 598576294 /nfs/dbraw/zinc/57/62/94/598576294.db2.gz HKRSWPIVUHYGLX-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1SC ZINC000737050928 598646325 /nfs/dbraw/zinc/64/63/25/598646325.db2.gz HQCUOLUADGJOEW-UHFFFAOYSA-N -1 3 387.377 2.725 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1SC ZINC000737050928 598646327 /nfs/dbraw/zinc/64/63/27/598646327.db2.gz HQCUOLUADGJOEW-UHFFFAOYSA-N -1 3 387.377 2.725 20 5 GFBDHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737257729 598674485 /nfs/dbraw/zinc/67/44/85/598674485.db2.gz UQBBHGFGYXHIFC-HNNXBMFYSA-N -1 3 382.428 2.647 20 5 GFBDHM Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737257729 598674487 /nfs/dbraw/zinc/67/44/87/598674487.db2.gz UQBBHGFGYXHIFC-HNNXBMFYSA-N -1 3 382.428 2.647 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(Br)cc32)c(-c2nnn[n-]2)c1 ZINC000738370562 598776220 /nfs/dbraw/zinc/77/62/20/598776220.db2.gz VYKQTELUMSNCKT-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(Br)cc32)c(-c2nn[n-]n2)c1 ZINC000738370562 598776222 /nfs/dbraw/zinc/77/62/22/598776222.db2.gz VYKQTELUMSNCKT-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737264017 599304045 /nfs/dbraw/zinc/30/40/45/599304045.db2.gz MPQYAMWUZMMCEN-UHFFFAOYSA-N -1 3 389.755 2.721 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737264017 599304047 /nfs/dbraw/zinc/30/40/47/599304047.db2.gz MPQYAMWUZMMCEN-UHFFFAOYSA-N -1 3 389.755 2.721 20 5 GFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736748564 599374661 /nfs/dbraw/zinc/37/46/61/599374661.db2.gz IWRKWWNKPITIDV-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736748564 599374662 /nfs/dbraw/zinc/37/46/62/599374662.db2.gz IWRKWWNKPITIDV-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820334245 599508713 /nfs/dbraw/zinc/50/87/13/599508713.db2.gz LZQZEKHTPSAQKT-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820334245 599508714 /nfs/dbraw/zinc/50/87/14/599508714.db2.gz LZQZEKHTPSAQKT-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM CN(CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000821593906 599557361 /nfs/dbraw/zinc/55/73/61/599557361.db2.gz PFQXYICUTOUJAW-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000821593906 599557364 /nfs/dbraw/zinc/55/73/64/599557364.db2.gz PFQXYICUTOUJAW-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826293732 607391625 /nfs/dbraw/zinc/39/16/25/607391625.db2.gz ZRDJHVRDSWRSKG-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826293732 607391626 /nfs/dbraw/zinc/39/16/26/607391626.db2.gz ZRDJHVRDSWRSKG-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820170401 607402241 /nfs/dbraw/zinc/40/22/41/607402241.db2.gz ZVIISVOTBQCHFQ-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820170401 607402243 /nfs/dbraw/zinc/40/22/43/607402243.db2.gz ZVIISVOTBQCHFQ-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000821745485 607415750 /nfs/dbraw/zinc/41/57/50/607415750.db2.gz YKCBJCMIKZDAHH-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM CSc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826230242 607420940 /nfs/dbraw/zinc/42/09/40/607420940.db2.gz KVESJPXEGCDHSC-UHFFFAOYSA-N -1 3 396.432 2.916 20 5 GFBDHM CSc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826230242 607420941 /nfs/dbraw/zinc/42/09/41/607420941.db2.gz KVESJPXEGCDHSC-UHFFFAOYSA-N -1 3 396.432 2.916 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826250341 607431200 /nfs/dbraw/zinc/43/12/00/607431200.db2.gz WEKRHKZCWSFCPT-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826250341 607431201 /nfs/dbraw/zinc/43/12/01/607431201.db2.gz WEKRHKZCWSFCPT-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823639844 607495549 /nfs/dbraw/zinc/49/55/49/607495549.db2.gz IOVOUCHJQNYUSL-MRXNPFEDSA-N -1 3 380.408 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000823639844 607495551 /nfs/dbraw/zinc/49/55/51/607495551.db2.gz IOVOUCHJQNYUSL-MRXNPFEDSA-N -1 3 380.408 2.961 20 5 GFBDHM CN(C)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825879300 607524260 /nfs/dbraw/zinc/52/42/60/607524260.db2.gz KJCFKCWUYMOQEX-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM CN(C)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825879300 607524261 /nfs/dbraw/zinc/52/42/61/607524261.db2.gz KJCFKCWUYMOQEX-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM CC(=O)c1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000824029151 607537240 /nfs/dbraw/zinc/53/72/40/607537240.db2.gz FRRGIANOWKAPHV-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM COc1ccc(OCCN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500439 604041488 /nfs/dbraw/zinc/04/14/88/604041488.db2.gz KKMAONYBCBGVBQ-HOCLYGCPSA-N -1 3 393.440 2.837 20 5 GFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821389552 606100191 /nfs/dbraw/zinc/10/01/91/606100191.db2.gz OCCDLBCTFVUQNA-UHFFFAOYSA-N -1 3 383.364 2.955 20 5 GFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821389552 606100193 /nfs/dbraw/zinc/10/01/93/606100193.db2.gz OCCDLBCTFVUQNA-UHFFFAOYSA-N -1 3 383.364 2.955 20 5 GFBDHM Cc1ccc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822242312 606137151 /nfs/dbraw/zinc/13/71/51/606137151.db2.gz HPAQVJLCQLNRPQ-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM Cc1ccc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822242312 606137152 /nfs/dbraw/zinc/13/71/52/606137152.db2.gz HPAQVJLCQLNRPQ-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM CCc1cnc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821496984 606164414 /nfs/dbraw/zinc/16/44/14/606164414.db2.gz NMXZTJBFZCOXQZ-UHFFFAOYSA-N -1 3 396.436 2.978 20 5 GFBDHM CCc1cnc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000821496984 606164416 /nfs/dbraw/zinc/16/44/16/606164416.db2.gz NMXZTJBFZCOXQZ-UHFFFAOYSA-N -1 3 396.436 2.978 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nccn2CCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639823 606233290 /nfs/dbraw/zinc/23/32/90/606233290.db2.gz HXGFKYRALNPANU-UHFFFAOYSA-N -1 3 390.407 2.826 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nccn2CCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639823 606233292 /nfs/dbraw/zinc/23/32/92/606233292.db2.gz HXGFKYRALNPANU-UHFFFAOYSA-N -1 3 390.407 2.826 20 5 GFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820275240 606476676 /nfs/dbraw/zinc/47/66/76/606476676.db2.gz OGZDIJCJZSJFBD-LLVKDONJSA-N -1 3 376.380 2.934 20 5 GFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820275240 606476678 /nfs/dbraw/zinc/47/66/78/606476678.db2.gz OGZDIJCJZSJFBD-LLVKDONJSA-N -1 3 376.380 2.934 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H]4OCC[C@H]43)cc(-c3nnn[n-]3)c2c1 ZINC000823644647 606728352 /nfs/dbraw/zinc/72/83/52/606728352.db2.gz JVUWNNQKWPIPAX-SGIREYDYSA-N -1 3 381.396 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H]4OCC[C@H]43)cc(-c3nn[n-]n3)c2c1 ZINC000823644647 606728353 /nfs/dbraw/zinc/72/83/53/606728353.db2.gz JVUWNNQKWPIPAX-SGIREYDYSA-N -1 3 381.396 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000823639537 606728740 /nfs/dbraw/zinc/72/87/40/606728740.db2.gz CPVAZEBPOKJFCV-JTQLQIEISA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000823639537 606728742 /nfs/dbraw/zinc/72/87/42/606728742.db2.gz CPVAZEBPOKJFCV-JTQLQIEISA-N -1 3 387.350 2.744 20 5 GFBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573121 606962867 /nfs/dbraw/zinc/96/28/67/606962867.db2.gz BPEIQOOGPWIXJJ-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573121 606962869 /nfs/dbraw/zinc/96/28/69/606962869.db2.gz BPEIQOOGPWIXJJ-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM Cc1ccc(C)c(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000822232007 607038544 /nfs/dbraw/zinc/03/85/44/607038544.db2.gz QFJULFZTTUJWOM-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1ccc(C)c(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1 ZINC000822232007 607038545 /nfs/dbraw/zinc/03/85/45/607038545.db2.gz QFJULFZTTUJWOM-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823413174 607074728 /nfs/dbraw/zinc/07/47/28/607074728.db2.gz BWDZMDMKRNVEEZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823413174 607074731 /nfs/dbraw/zinc/07/47/31/607074731.db2.gz BWDZMDMKRNVEEZ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1c(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822028588 607118728 /nfs/dbraw/zinc/11/87/28/607118728.db2.gz QQJAAUZWKHBXIC-UHFFFAOYSA-N -1 3 397.391 2.984 20 5 GFBDHM Cc1c(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822028588 607118729 /nfs/dbraw/zinc/11/87/29/607118729.db2.gz QQJAAUZWKHBXIC-UHFFFAOYSA-N -1 3 397.391 2.984 20 5 GFBDHM CN(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581736 607162820 /nfs/dbraw/zinc/16/28/20/607162820.db2.gz UHKOYCMSHPMJOV-ZDUSSCGKSA-N -1 3 388.819 2.538 20 5 GFBDHM CN(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000821581736 607162821 /nfs/dbraw/zinc/16/28/21/607162821.db2.gz UHKOYCMSHPMJOV-ZDUSSCGKSA-N -1 3 388.819 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc(-c3nnn[n-]3)c2c1 ZINC000826499307 607822220 /nfs/dbraw/zinc/82/22/20/607822220.db2.gz DJLISONWFXXVMI-LQAWEQHXSA-N -1 3 393.407 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc(-c3nn[n-]n3)c2c1 ZINC000826499307 607822221 /nfs/dbraw/zinc/82/22/21/607822221.db2.gz DJLISONWFXXVMI-LQAWEQHXSA-N -1 3 393.407 2.693 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291969 607863664 /nfs/dbraw/zinc/86/36/64/607863664.db2.gz CQMNCIBSMDESFO-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291969 607863665 /nfs/dbraw/zinc/86/36/65/607863665.db2.gz CQMNCIBSMDESFO-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c2cc([N+](=O)[O-])ccc12 ZINC000826334685 608054345 /nfs/dbraw/zinc/05/43/45/608054345.db2.gz FMKLIYPULMOBFD-UHFFFAOYSA-N -1 3 382.359 2.666 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826161948 608136166 /nfs/dbraw/zinc/13/61/66/608136166.db2.gz GWLJOWYSABQZSH-GQCTYLIASA-N -1 3 396.407 2.925 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826161948 608136167 /nfs/dbraw/zinc/13/61/67/608136167.db2.gz GWLJOWYSABQZSH-GQCTYLIASA-N -1 3 396.407 2.925 20 5 GFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826464099 608143574 /nfs/dbraw/zinc/14/35/74/608143574.db2.gz IRSKZARLKXQGFK-UHFFFAOYSA-N -1 3 377.407 2.786 20 5 GFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826464099 608143575 /nfs/dbraw/zinc/14/35/75/608143575.db2.gz IRSKZARLKXQGFK-UHFFFAOYSA-N -1 3 377.407 2.786 20 5 GFBDHM Cc1cc([C@@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000826266718 608151710 /nfs/dbraw/zinc/15/17/10/608151710.db2.gz YXYLNKJOIDPEJM-KRWDZBQOSA-N -1 3 384.371 2.800 20 5 GFBDHM Cc1cc([C@@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000826266718 608151711 /nfs/dbraw/zinc/15/17/11/608151711.db2.gz YXYLNKJOIDPEJM-KRWDZBQOSA-N -1 3 384.371 2.800 20 5 GFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824521625 608242234 /nfs/dbraw/zinc/24/22/34/608242234.db2.gz LYFLHCUMJVPKME-LLVKDONJSA-N -1 3 389.375 2.814 20 5 GFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000824521625 608242235 /nfs/dbraw/zinc/24/22/35/608242235.db2.gz LYFLHCUMJVPKME-LLVKDONJSA-N -1 3 389.375 2.814 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826466525 608452473 /nfs/dbraw/zinc/45/24/73/608452473.db2.gz HKPDLSHHSNZMJJ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826466525 608452475 /nfs/dbraw/zinc/45/24/75/608452475.db2.gz HKPDLSHHSNZMJJ-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824634730 608482231 /nfs/dbraw/zinc/48/22/31/608482231.db2.gz XMXAYQTVTMBCFC-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634730 608482232 /nfs/dbraw/zinc/48/22/32/608482232.db2.gz XMXAYQTVTMBCFC-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](c1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824770032 608864251 /nfs/dbraw/zinc/86/42/51/608864251.db2.gz CRSXADPZRUQLQY-CYBMUJFWSA-N -1 3 397.414 2.797 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826293299 609465543 /nfs/dbraw/zinc/46/55/43/609465543.db2.gz KIUWBFBCIPPDJE-LBPRGKRZSA-N -1 3 382.380 2.800 20 5 GFBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028752534 654573118 /nfs/dbraw/zinc/57/31/18/654573118.db2.gz GQKNBRMKKCFJAV-UHFFFAOYSA-N -1 3 384.175 2.976 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124528196 654777505 /nfs/dbraw/zinc/77/75/05/654777505.db2.gz WXNMVZQJBPBKRK-HNNXBMFYSA-N -1 3 383.857 2.829 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129207206 654860387 /nfs/dbraw/zinc/86/03/87/654860387.db2.gz DIYUZYUFOVVXRR-ABAIWWIYSA-N -1 3 384.841 2.519 20 5 GFBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000102413537 655054992 /nfs/dbraw/zinc/05/49/92/655054992.db2.gz VYPACZHANRRLQP-UHFFFAOYSA-N -1 3 375.859 2.788 20 5 GFBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176664100 655251824 /nfs/dbraw/zinc/25/18/24/655251824.db2.gz HOMDYGVXKWFJRF-UHFFFAOYSA-N -1 3 385.829 2.829 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121392899 655349618 /nfs/dbraw/zinc/34/96/18/655349618.db2.gz DCKOAAIFBNMBJU-UHFFFAOYSA-N -1 3 388.199 2.562 20 5 GFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000742280098 655713809 /nfs/dbraw/zinc/71/38/09/655713809.db2.gz ZRLRZMILRSVEJA-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000798225679 659084641 /nfs/dbraw/zinc/08/46/41/659084641.db2.gz GXDDAMBRIXLSKP-MNOVXSKESA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000809810669 659940654 /nfs/dbraw/zinc/94/06/54/659940654.db2.gz IETIXAHGAXEJON-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM CC1=CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809831163 659946438 /nfs/dbraw/zinc/94/64/38/659946438.db2.gz SLJWAOURYQLMKJ-UHFFFAOYSA-N -1 3 394.280 2.832 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)cc1[N+](=O)[O-] ZINC000849459093 661729241 /nfs/dbraw/zinc/72/92/41/661729241.db2.gz UUACQAXUSNUHMY-OLZOCXBDSA-N -1 3 396.799 2.649 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CCSCCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000867784971 662574734 /nfs/dbraw/zinc/57/47/34/662574734.db2.gz VHGXKTBEUXDGPU-UHFFFAOYSA-N -1 3 378.419 2.929 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(F)cc1Br ZINC000053690044 551167940 /nfs/dbraw/zinc/16/79/40/551167940.db2.gz ACKQPDCJJHDRTJ-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000162958726 551614876 /nfs/dbraw/zinc/61/48/76/551614876.db2.gz WHQPVMXSOZZGLD-RKDXNWHRSA-N -1 3 393.259 2.592 20 5 GFBDHM COCCNC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000171067877 551645759 /nfs/dbraw/zinc/64/57/59/551645759.db2.gz OQGFEHLFIGPQOM-UHFFFAOYSA-N -1 3 383.813 2.938 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000173535985 552087724 /nfs/dbraw/zinc/08/77/24/552087724.db2.gz PUBDNEKWFGFKIZ-CHWSQXEVSA-N -1 3 384.845 2.907 20 5 GFBDHM Cn1cc(Br)cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1=O ZINC000175537705 552124221 /nfs/dbraw/zinc/12/42/21/552124221.db2.gz YLTIUDSVDXMULF-UHFFFAOYSA-N -1 3 386.589 2.962 20 5 GFBDHM CN(C)Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000180054055 552211136 /nfs/dbraw/zinc/21/11/36/552211136.db2.gz HMAKRFYWLDFGHN-UHFFFAOYSA-N -1 3 383.857 2.788 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000187431493 552415281 /nfs/dbraw/zinc/41/52/81/552415281.db2.gz QYMPPNQOROJDMW-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000302858614 563431419 /nfs/dbraw/zinc/43/14/19/563431419.db2.gz NMXZCRSYBLRFPM-UHFFFAOYSA-N -1 3 385.442 2.743 20 5 GFBDHM Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1[N+](=O)[O-] ZINC000430138761 563535466 /nfs/dbraw/zinc/53/54/66/563535466.db2.gz ILNUTUNHYREJLS-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nccs2)c(C(F)(F)F)c1 ZINC000290077828 563697389 /nfs/dbraw/zinc/69/73/89/563697389.db2.gz GSYRBFSHHPOBBZ-UHFFFAOYSA-N -1 3 395.384 2.981 20 5 GFBDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394785 563822360 /nfs/dbraw/zinc/82/23/60/563822360.db2.gz ZLKFYZROBGVSBN-MWLCHTKSSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000416429355 563827885 /nfs/dbraw/zinc/82/78/85/563827885.db2.gz VSWBESXFMFGLLM-SECBINFHSA-N -1 3 382.360 2.707 20 5 GFBDHM COC1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416546783 563846464 /nfs/dbraw/zinc/84/64/64/563846464.db2.gz UCGGMJAMBRYCMS-UHFFFAOYSA-N -1 3 382.360 2.850 20 5 GFBDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000445755213 563854639 /nfs/dbraw/zinc/85/46/39/563854639.db2.gz GUJSTQUPHASOTH-OAHLLOKOSA-N -1 3 376.862 2.858 20 5 GFBDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028640 563872717 /nfs/dbraw/zinc/87/27/17/563872717.db2.gz IVIQJESPGQBWKI-GXSJLCMTSA-N -1 3 393.259 2.593 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000471296145 564192475 /nfs/dbraw/zinc/19/24/75/564192475.db2.gz KEXMOLSBUTYFHA-UHFFFAOYSA-N -1 3 384.797 2.881 20 5 GFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000472356024 564222024 /nfs/dbraw/zinc/22/20/24/564222024.db2.gz NHHKOIXATZSQBS-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691777 564321925 /nfs/dbraw/zinc/32/19/25/564321925.db2.gz USMKSXZKDKMIQN-LBPRGKRZSA-N -1 3 392.767 2.538 20 5 GFBDHM CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCCC1 ZINC000567169249 564360492 /nfs/dbraw/zinc/36/04/92/564360492.db2.gz KOOMFCFNTJTVFO-KGLIPLIRSA-N -1 3 385.873 2.606 20 5 GFBDHM CCCCOCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521287848 564623326 /nfs/dbraw/zinc/62/33/26/564623326.db2.gz CDLMGKBTQLTMES-UHFFFAOYSA-N -1 3 395.275 2.842 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C2CC(C)C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493896166 564813256 /nfs/dbraw/zinc/81/32/56/564813256.db2.gz DJORKMKRWUCQJD-UHFFFAOYSA-N -1 3 393.259 2.751 20 5 GFBDHM CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292442 564831689 /nfs/dbraw/zinc/83/16/89/564831689.db2.gz CTCSACNJLOTSKT-SECBINFHSA-N -1 3 384.285 2.910 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462699926 564855632 /nfs/dbraw/zinc/85/56/32/564855632.db2.gz MDPYIDKWODAJIZ-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000532043846 564927859 /nfs/dbraw/zinc/92/78/59/564927859.db2.gz QRKUSSBIYJONPC-CQSZACIVSA-N -1 3 390.845 2.648 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000500138047 564946288 /nfs/dbraw/zinc/94/62/88/564946288.db2.gz BOZNPJAMYKFCHM-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-] ZINC000467073299 564954886 /nfs/dbraw/zinc/95/48/86/564954886.db2.gz FTGSTJWGVXAFCX-UHFFFAOYSA-N -1 3 378.435 2.833 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000589295568 565159741 /nfs/dbraw/zinc/15/97/41/565159741.db2.gz OSXADAAJJZZTOX-CQSZACIVSA-N -1 3 388.492 2.793 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590590360 565192955 /nfs/dbraw/zinc/19/29/55/565192955.db2.gz UYCQBHZEXNKDNV-ZDUSSCGKSA-N -1 3 387.458 2.685 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000619473552 565343626 /nfs/dbraw/zinc/34/36/26/565343626.db2.gz HNMZWOOJVMZMQH-UHFFFAOYSA-N -1 3 379.419 2.692 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)nc1 ZINC000593574054 565343695 /nfs/dbraw/zinc/34/36/95/565343695.db2.gz XMMRQUDABUHNDO-ZDUSSCGKSA-N -1 3 383.813 2.835 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)CC(=O)c1cccs1 ZINC000619493728 565344854 /nfs/dbraw/zinc/34/48/54/565344854.db2.gz KJDPAPWKPNGJNR-SNVBAGLBSA-N -1 3 384.435 2.605 20 5 GFBDHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593654718 565354287 /nfs/dbraw/zinc/35/42/87/565354287.db2.gz VQQWMJFJLYVVJU-VIFPVBQESA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594485572 565394402 /nfs/dbraw/zinc/39/44/02/565394402.db2.gz ABACQBLBGWFDII-GWCFXTLKSA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488220 565395893 /nfs/dbraw/zinc/39/58/93/565395893.db2.gz QRXSPYFVYXUVCK-MFKMUULPSA-N -1 3 382.360 2.682 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000603371087 565901758 /nfs/dbraw/zinc/90/17/58/565901758.db2.gz QMCZFUKHLBEPRZ-UHFFFAOYSA-N -1 3 397.831 2.504 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000603640466 565912839 /nfs/dbraw/zinc/91/28/39/565912839.db2.gz DOKHJHRYFZCXOH-NWDGAFQWSA-N -1 3 375.878 2.789 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)s1 ZINC000612779211 566173950 /nfs/dbraw/zinc/17/39/50/566173950.db2.gz MDYFMKOURFJYIR-UHFFFAOYSA-N -1 3 393.393 2.778 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000737523929 598827839 /nfs/dbraw/zinc/82/78/39/598827839.db2.gz LYHVMLBNUBHULQ-UHFFFAOYSA-N -1 3 380.343 2.529 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000737523929 598827840 /nfs/dbraw/zinc/82/78/40/598827840.db2.gz LYHVMLBNUBHULQ-UHFFFAOYSA-N -1 3 380.343 2.529 20 5 GFBDHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000821346694 599072133 /nfs/dbraw/zinc/07/21/33/599072133.db2.gz NZFGODCFAJOBIX-JTQLQIEISA-N -1 3 389.441 2.965 20 5 GFBDHM CCO[C@@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000821346694 599072136 /nfs/dbraw/zinc/07/21/36/599072136.db2.gz NZFGODCFAJOBIX-JTQLQIEISA-N -1 3 389.441 2.965 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463781230 599139519 /nfs/dbraw/zinc/13/95/19/599139519.db2.gz GIACHRPUMAMBMT-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463781230 599139520 /nfs/dbraw/zinc/13/95/20/599139520.db2.gz GIACHRPUMAMBMT-UHFFFAOYSA-N -1 3 392.297 2.724 20 5 GFBDHM COc1ccc(C=C2C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1-c1nnn[n-]1 ZINC000737083421 599155622 /nfs/dbraw/zinc/15/56/22/599155622.db2.gz OCQPPDJOYYGMMS-ONNFQVAWSA-N -1 3 398.766 2.930 20 5 GFBDHM COc1ccc(C=C2C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1-c1nn[n-]n1 ZINC000737083421 599155625 /nfs/dbraw/zinc/15/56/25/599155625.db2.gz OCQPPDJOYYGMMS-ONNFQVAWSA-N -1 3 398.766 2.930 20 5 GFBDHM Cc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cccc1-c1nnn[n-]1 ZINC000822075754 607269083 /nfs/dbraw/zinc/26/90/83/607269083.db2.gz IOXUPFJKTBLLKU-UHFFFAOYSA-N -1 3 377.364 2.677 20 5 GFBDHM Cc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cccc1-c1nn[n-]n1 ZINC000822075754 607269084 /nfs/dbraw/zinc/26/90/84/607269084.db2.gz IOXUPFJKTBLLKU-UHFFFAOYSA-N -1 3 377.364 2.677 20 5 GFBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737096810 599253419 /nfs/dbraw/zinc/25/34/19/599253419.db2.gz ZECWSXPOQMXVSX-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737096810 599253422 /nfs/dbraw/zinc/25/34/22/599253422.db2.gz ZECWSXPOQMXVSX-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000738367214 599256152 /nfs/dbraw/zinc/25/61/52/599256152.db2.gz NUKKYUPCHYKRNN-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000738367214 599256154 /nfs/dbraw/zinc/25/61/54/599256154.db2.gz NUKKYUPCHYKRNN-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000736170032 598272500 /nfs/dbraw/zinc/27/25/00/598272500.db2.gz QRPSGNFRKAXOJM-NWDGAFQWSA-N -1 3 383.364 2.847 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000735662306 598279532 /nfs/dbraw/zinc/27/95/32/598279532.db2.gz UTJKMNXZLWIAAT-UHFFFAOYSA-N -1 3 384.400 2.653 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000735662306 598279534 /nfs/dbraw/zinc/27/95/34/598279534.db2.gz UTJKMNXZLWIAAT-UHFFFAOYSA-N -1 3 384.400 2.653 20 5 GFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736742178 598281943 /nfs/dbraw/zinc/28/19/43/598281943.db2.gz MXFWGRNONBIPLC-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736742178 598281944 /nfs/dbraw/zinc/28/19/44/598281944.db2.gz MXFWGRNONBIPLC-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CCc1nc2ccccc2n1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736705338 598668963 /nfs/dbraw/zinc/66/89/63/598668963.db2.gz HVKILZSUGVIJHD-UHFFFAOYSA-N -1 3 378.396 2.799 20 5 GFBDHM CCc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736705338 598668965 /nfs/dbraw/zinc/66/89/65/598668965.db2.gz HVKILZSUGVIJHD-UHFFFAOYSA-N -1 3 378.396 2.799 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737948561 598706599 /nfs/dbraw/zinc/70/65/99/598706599.db2.gz XQBPSUHMVSOGAM-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737948561 598706601 /nfs/dbraw/zinc/70/66/01/598706601.db2.gz XQBPSUHMVSOGAM-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000738369632 598756716 /nfs/dbraw/zinc/75/67/16/598756716.db2.gz KVGMAFUJVTUMAO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM Cc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737315575 598808773 /nfs/dbraw/zinc/80/87/73/598808773.db2.gz OHIAFOXJAUFDHL-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM CN(Cc1ccc(Br)s1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821609732 599402018 /nfs/dbraw/zinc/40/20/18/599402018.db2.gz JOKFJUKDPJJMDQ-UHFFFAOYSA-N -1 3 396.230 2.630 20 5 GFBDHM CN(Cc1ccc(Br)s1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821609732 599402020 /nfs/dbraw/zinc/40/20/20/599402020.db2.gz JOKFJUKDPJJMDQ-UHFFFAOYSA-N -1 3 396.230 2.630 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738367328 599434640 /nfs/dbraw/zinc/43/46/40/599434640.db2.gz QXBCBNWGBOMEDT-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738367328 599434641 /nfs/dbraw/zinc/43/46/41/599434641.db2.gz QXBCBNWGBOMEDT-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM CSc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821979767 599542366 /nfs/dbraw/zinc/54/23/66/599542366.db2.gz WISMFSNAMPZYTK-JTQLQIEISA-N -1 3 384.421 2.988 20 5 GFBDHM CSc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821979767 599542368 /nfs/dbraw/zinc/54/23/68/599542368.db2.gz WISMFSNAMPZYTK-JTQLQIEISA-N -1 3 384.421 2.988 20 5 GFBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737933262 599546711 /nfs/dbraw/zinc/54/67/11/599546711.db2.gz WAANFCLYXMHTKM-UHFFFAOYSA-N -1 3 396.432 2.597 20 5 GFBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737933262 599546713 /nfs/dbraw/zinc/54/67/13/599546713.db2.gz WAANFCLYXMHTKM-UHFFFAOYSA-N -1 3 396.432 2.597 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251604 607402695 /nfs/dbraw/zinc/40/26/95/607402695.db2.gz VFEAAKJLPJFGFS-CABCVRRESA-N -1 3 397.395 2.621 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251604 607402698 /nfs/dbraw/zinc/40/26/98/607402698.db2.gz VFEAAKJLPJFGFS-CABCVRRESA-N -1 3 397.395 2.621 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821745118 607420265 /nfs/dbraw/zinc/42/02/65/607420265.db2.gz FLWVIKCSVYYDOZ-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821745118 607420266 /nfs/dbraw/zinc/42/02/66/607420266.db2.gz FLWVIKCSVYYDOZ-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM O=C(COc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826418218 607523559 /nfs/dbraw/zinc/52/35/59/607523559.db2.gz VXIPJOKHDDQFCT-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826418218 607523560 /nfs/dbraw/zinc/52/35/60/607523560.db2.gz VXIPJOKHDDQFCT-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832957250 601741031 /nfs/dbraw/zinc/74/10/31/601741031.db2.gz GXXGUQFTQDRPBC-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826267829 607618778 /nfs/dbraw/zinc/61/87/78/607618778.db2.gz YIMNNWBKGWZLJQ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000834179234 605327857 /nfs/dbraw/zinc/32/78/57/605327857.db2.gz GWDNSLNHBFBWFO-JCGIZDLHSA-N -1 3 385.424 2.784 20 5 GFBDHM Cc1cc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ncc1[N+](=O)[O-] ZINC000822206849 606035254 /nfs/dbraw/zinc/03/52/54/606035254.db2.gz BEMJEVGQXXIMAR-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1cc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ncc1[N+](=O)[O-] ZINC000822206849 606035260 /nfs/dbraw/zinc/03/52/60/606035260.db2.gz BEMJEVGQXXIMAR-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM CC[C@@](C)(CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1OCCO1 ZINC000820854255 606056331 /nfs/dbraw/zinc/05/63/31/606056331.db2.gz RZEYQZRHZSLECS-KRWDZBQOSA-N -1 3 376.417 2.756 20 5 GFBDHM CC[C@@](C)(CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1OCCO1 ZINC000820854255 606056334 /nfs/dbraw/zinc/05/63/34/606056334.db2.gz RZEYQZRHZSLECS-KRWDZBQOSA-N -1 3 376.417 2.756 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822194958 606243707 /nfs/dbraw/zinc/24/37/07/606243707.db2.gz BNENYGZEOTUBNZ-LBPRGKRZSA-N -1 3 399.436 2.671 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822194958 606243708 /nfs/dbraw/zinc/24/37/08/606243708.db2.gz BNENYGZEOTUBNZ-LBPRGKRZSA-N -1 3 399.436 2.671 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(-c4ccccc4)oc3C2)c(-c2nnn[n-]2)c1 ZINC000823650924 606423223 /nfs/dbraw/zinc/42/32/23/606423223.db2.gz DMRYGKOVUXTGCG-UHFFFAOYSA-N -1 3 389.375 2.993 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3cc(-c4ccccc4)oc3C2)c(-c2nn[n-]n2)c1 ZINC000823650924 606423226 /nfs/dbraw/zinc/42/32/26/606423226.db2.gz DMRYGKOVUXTGCG-UHFFFAOYSA-N -1 3 389.375 2.993 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229254 606440899 /nfs/dbraw/zinc/44/08/99/606440899.db2.gz QCHOCTGJQDWLSU-LBPRGKRZSA-N -1 3 381.396 2.644 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229254 606440900 /nfs/dbraw/zinc/44/09/00/606440900.db2.gz QCHOCTGJQDWLSU-LBPRGKRZSA-N -1 3 381.396 2.644 20 5 GFBDHM CC(C)[C@@H]1OCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044353 606472082 /nfs/dbraw/zinc/47/20/82/606472082.db2.gz GCVXEYFUSAXVKG-GTNSWQLSSA-N -1 3 383.412 2.796 20 5 GFBDHM CC(C)[C@@H]1OCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044353 606472084 /nfs/dbraw/zinc/47/20/84/606472084.db2.gz GCVXEYFUSAXVKG-GTNSWQLSSA-N -1 3 383.412 2.796 20 5 GFBDHM C[C@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820300607 606478396 /nfs/dbraw/zinc/47/83/96/606478396.db2.gz RRHAJPAQPOOEIE-LLVKDONJSA-N -1 3 376.380 2.761 20 5 GFBDHM C[C@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820300607 606478397 /nfs/dbraw/zinc/47/83/97/606478397.db2.gz RRHAJPAQPOOEIE-LLVKDONJSA-N -1 3 376.380 2.761 20 5 GFBDHM CC(C)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988052 606545363 /nfs/dbraw/zinc/54/53/63/606545363.db2.gz ROZKZGRGZPJMMM-UHFFFAOYSA-N -1 3 380.408 2.759 20 5 GFBDHM CC(C)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988052 606545365 /nfs/dbraw/zinc/54/53/65/606545365.db2.gz ROZKZGRGZPJMMM-UHFFFAOYSA-N -1 3 380.408 2.759 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000823422562 606558212 /nfs/dbraw/zinc/55/82/12/606558212.db2.gz WMZILLLPQSAFFS-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000823422562 606558214 /nfs/dbraw/zinc/55/82/14/606558214.db2.gz WMZILLLPQSAFFS-UHFFFAOYSA-N -1 3 391.290 2.733 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000823635347 606645133 /nfs/dbraw/zinc/64/51/33/606645133.db2.gz WHHRGHIIPPJKRF-HNNXBMFYSA-N -1 3 394.391 2.888 20 5 GFBDHM CC(C)c1nc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202415 606645621 /nfs/dbraw/zinc/64/56/21/606645621.db2.gz HXOVHPZZZHEHRL-LLVKDONJSA-N -1 3 384.400 2.665 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2cccc(Cn3cccn3)c2)ccc1-c1nnn[n-]1 ZINC000823634437 606646035 /nfs/dbraw/zinc/64/60/35/606646035.db2.gz FLJWTMWFVFOORC-UHFFFAOYSA-N -1 3 376.380 2.632 20 5 GFBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000819928454 606724448 /nfs/dbraw/zinc/72/44/48/606724448.db2.gz PTEOGYMNQIPQGH-LBPRGKRZSA-N -1 3 388.428 2.723 20 5 GFBDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000819928454 606724449 /nfs/dbraw/zinc/72/44/49/606724449.db2.gz PTEOGYMNQIPQGH-LBPRGKRZSA-N -1 3 388.428 2.723 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820461521 606725463 /nfs/dbraw/zinc/72/54/63/606725463.db2.gz LGVYTIZJDPWWAY-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820461521 606725464 /nfs/dbraw/zinc/72/54/64/606725464.db2.gz LGVYTIZJDPWWAY-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270951 606950094 /nfs/dbraw/zinc/95/00/94/606950094.db2.gz FJQMNZGNSAXPCD-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270951 606950095 /nfs/dbraw/zinc/95/00/95/606950095.db2.gz FJQMNZGNSAXPCD-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM CCn1c(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000821565088 607036751 /nfs/dbraw/zinc/03/67/51/607036751.db2.gz CSGISSFKLZUMNF-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CCn1c(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nnc1-c1cccnc1 ZINC000821565088 607036753 /nfs/dbraw/zinc/03/67/53/607036753.db2.gz CSGISSFKLZUMNF-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821589228 607242070 /nfs/dbraw/zinc/24/20/70/607242070.db2.gz DHOBOLFMRYZWFM-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821589228 607242071 /nfs/dbraw/zinc/24/20/71/607242071.db2.gz DHOBOLFMRYZWFM-UHFFFAOYSA-N -1 3 387.787 2.747 20 5 GFBDHM O=[N+]([O-])c1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000826499743 607968454 /nfs/dbraw/zinc/96/84/54/607968454.db2.gz VMDVQSVILRPTAH-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM O=[N+]([O-])c1cccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000826499743 607968455 /nfs/dbraw/zinc/96/84/55/607968455.db2.gz VMDVQSVILRPTAH-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826457355 608122959 /nfs/dbraw/zinc/12/29/59/608122959.db2.gz XWQNELOZFXSEMV-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM CN(C)c1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825879302 608128354 /nfs/dbraw/zinc/12/83/54/608128354.db2.gz KOHUYUZIYGXFCV-CSKARUKUSA-N -1 3 394.391 2.598 20 5 GFBDHM CN(C)c1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825879302 608128355 /nfs/dbraw/zinc/12/83/55/608128355.db2.gz KOHUYUZIYGXFCV-CSKARUKUSA-N -1 3 394.391 2.598 20 5 GFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000826464137 608143684 /nfs/dbraw/zinc/14/36/84/608143684.db2.gz JYJAMENJQGDSJI-UHFFFAOYSA-N -1 3 377.407 2.786 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000825793640 608177637 /nfs/dbraw/zinc/17/76/37/608177637.db2.gz ZUEVMKSFHKQHEE-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000825793640 608177638 /nfs/dbraw/zinc/17/76/38/608177638.db2.gz ZUEVMKSFHKQHEE-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000825327353 608297844 /nfs/dbraw/zinc/29/78/44/608297844.db2.gz JHENQJVOYMEBQR-UHFFFAOYSA-N -1 3 394.395 2.603 20 5 GFBDHM CCCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000825327353 608297846 /nfs/dbraw/zinc/29/78/46/608297846.db2.gz JHENQJVOYMEBQR-UHFFFAOYSA-N -1 3 394.395 2.603 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826273092 608336733 /nfs/dbraw/zinc/33/67/33/608336733.db2.gz PCEKALOHBPQGSN-UHFFFAOYSA-N -1 3 396.432 2.765 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826273092 608336735 /nfs/dbraw/zinc/33/67/35/608336735.db2.gz PCEKALOHBPQGSN-UHFFFAOYSA-N -1 3 396.432 2.765 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826466367 608446985 /nfs/dbraw/zinc/44/69/85/608446985.db2.gz ZBICIPGODOKPAV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826466367 608446986 /nfs/dbraw/zinc/44/69/86/608446986.db2.gz ZBICIPGODOKPAV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627264 608467072 /nfs/dbraw/zinc/46/70/72/608467072.db2.gz VOELUECRPSYHNH-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627264 608467073 /nfs/dbraw/zinc/46/70/73/608467073.db2.gz VOELUECRPSYHNH-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826453521 608841548 /nfs/dbraw/zinc/84/15/48/608841548.db2.gz NRRIIGCYWYKOLY-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826453521 608841551 /nfs/dbraw/zinc/84/15/51/608841551.db2.gz NRRIIGCYWYKOLY-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=[N+]([O-])c1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826498543 609279819 /nfs/dbraw/zinc/27/98/19/609279819.db2.gz ZXMOZUZBYMQEKP-UHFFFAOYSA-N -1 3 380.343 2.712 20 5 GFBDHM COc1cccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c21 ZINC000826217531 609324385 /nfs/dbraw/zinc/32/43/85/609324385.db2.gz QUAJKYXGYUTRAG-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM COc1cccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c21 ZINC000826217531 609324387 /nfs/dbraw/zinc/32/43/87/609324387.db2.gz QUAJKYXGYUTRAG-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM CC(=CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823944205 609501890 /nfs/dbraw/zinc/50/18/90/609501890.db2.gz ZWXCOHPPQOGLEG-FLIBITNWSA-N -1 3 382.355 2.634 20 5 GFBDHM CC(=CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823944205 609501891 /nfs/dbraw/zinc/50/18/91/609501891.db2.gz ZWXCOHPPQOGLEG-FLIBITNWSA-N -1 3 382.355 2.634 20 5 GFBDHM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000826271294 609563702 /nfs/dbraw/zinc/56/37/02/609563702.db2.gz LTWFMIWNRDRPHS-GFCCVEGCSA-N -1 3 395.427 2.996 20 5 GFBDHM CC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184557 609597999 /nfs/dbraw/zinc/59/79/99/609597999.db2.gz WASOJZGPSKEQOU-WPRPVWTQSA-N -1 3 380.792 2.572 20 5 GFBDHM CC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184557 609598000 /nfs/dbraw/zinc/59/80/00/609598000.db2.gz WASOJZGPSKEQOU-WPRPVWTQSA-N -1 3 380.792 2.572 20 5 GFBDHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854928 660683452 /nfs/dbraw/zinc/68/34/52/660683452.db2.gz JJUFOSGDRCYKPP-GZMMTYOYSA-N -1 3 394.280 2.663 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000044761025 654663507 /nfs/dbraw/zinc/66/35/07/654663507.db2.gz MRHRTKMPBHBSFO-GFCCVEGCSA-N -1 3 389.886 2.891 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000269151555 655000032 /nfs/dbraw/zinc/00/00/32/655000032.db2.gz SDQFGCYWAOIBPC-YGRLFVJLSA-N -1 3 392.886 2.581 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000171069442 655148313 /nfs/dbraw/zinc/14/83/13/655148313.db2.gz NLHFXVCFYKXGOM-UHFFFAOYSA-N -1 3 392.220 2.784 20 5 GFBDHM CCCCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172966064 655161550 /nfs/dbraw/zinc/16/15/50/655161550.db2.gz GYHALKDTQRKYPK-UHFFFAOYSA-N -1 3 395.275 2.842 20 5 GFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000119569255 655307354 /nfs/dbraw/zinc/30/73/54/655307354.db2.gz CTFISPNAYKERCW-UHFFFAOYSA-N -1 3 380.080 2.747 20 5 GFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000119569255 655307351 /nfs/dbraw/zinc/30/73/51/655307351.db2.gz CTFISPNAYKERCW-UHFFFAOYSA-N -1 3 380.080 2.747 20 5 GFBDHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000119569255 655307355 /nfs/dbraw/zinc/30/73/55/655307355.db2.gz CTFISPNAYKERCW-UHFFFAOYSA-N -1 3 380.080 2.747 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000119599123 655308556 /nfs/dbraw/zinc/30/85/56/655308556.db2.gz NZAXKTQNYNITNX-SECBINFHSA-N -1 3 381.435 2.581 20 5 GFBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289250037 655344907 /nfs/dbraw/zinc/34/49/07/655344907.db2.gz XEGTXEBXZOCLPJ-UHFFFAOYSA-N -1 3 393.252 2.775 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)c(Cl)c1 ZINC000510439775 655417623 /nfs/dbraw/zinc/41/76/23/655417623.db2.gz ATCZGWQFODPINI-GFCCVEGCSA-N -1 3 382.825 2.920 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000742321635 655715713 /nfs/dbraw/zinc/71/57/13/655715713.db2.gz PYEGKKIJKMQTRK-UHFFFAOYSA-N -1 3 385.785 2.677 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c(C)cn1 ZINC000746601419 655764718 /nfs/dbraw/zinc/76/47/18/655764718.db2.gz YZIXOFOFLCTWDT-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCSC2)c1 ZINC000749109456 655800674 /nfs/dbraw/zinc/80/06/74/655800674.db2.gz ZSWLUDDUMAPTCP-QMMMGPOBSA-N -1 3 381.273 2.531 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751485620 655829707 /nfs/dbraw/zinc/82/97/07/655829707.db2.gz IDEYPRUEEZIVBR-RFAUZJTJSA-N -1 3 388.804 2.788 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H](O)C(F)(F)F ZINC000765743737 656150051 /nfs/dbraw/zinc/15/00/51/656150051.db2.gz XWOSHYOHGSATOQ-KCJUWKMLSA-N -1 3 390.767 2.537 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCCN2CCCCC2)c1 ZINC000795774636 658848817 /nfs/dbraw/zinc/84/88/17/658848817.db2.gz GWESUDKIVNQWCB-UHFFFAOYSA-N -1 3 379.841 2.542 20 5 GFBDHM Cc1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000797581673 659037582 /nfs/dbraw/zinc/03/75/82/659037582.db2.gz ZMEJYYFVDZWZLH-UHFFFAOYSA-N -1 3 384.146 2.560 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)Cc1ccccc1 ZINC000799829605 659233446 /nfs/dbraw/zinc/23/34/46/659233446.db2.gz FUZWSOPAJKEFAG-CQSZACIVSA-N -1 3 384.841 2.520 20 5 GFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1Cl ZINC000800929335 659351409 /nfs/dbraw/zinc/35/14/09/659351409.db2.gz FOSYTUGHFSQPOO-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC1CCCCC1 ZINC000800969050 659360722 /nfs/dbraw/zinc/36/07/22/659360722.db2.gz BTFWUTBCKOJZMK-UHFFFAOYSA-N -1 3 390.845 2.793 20 5 GFBDHM CN(CC(=O)Nc1ncccc1[O-])c1cc(Br)ccc1[N+](=O)[O-] ZINC000803098257 659552443 /nfs/dbraw/zinc/55/24/43/659552443.db2.gz MIJKBVSHWJBQMQ-UHFFFAOYSA-N -1 3 381.186 2.533 20 5 GFBDHM CCc1[nH]nc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000803637469 659593542 /nfs/dbraw/zinc/59/35/42/659593542.db2.gz MUWLPYCBQAWIJJ-UHFFFAOYSA-N -1 3 384.146 2.803 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cccnc3Cl)c2c1 ZINC000808350965 659891797 /nfs/dbraw/zinc/89/17/97/659891797.db2.gz GPMXOXMFRSOUTD-UHFFFAOYSA-N -1 3 380.813 2.646 20 5 GFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC(F)(F)C1 ZINC000872668987 662784593 /nfs/dbraw/zinc/78/45/93/662784593.db2.gz KHJURHYAHFMNFV-UHFFFAOYSA-N -1 3 385.186 2.823 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br ZINC000055280938 551172725 /nfs/dbraw/zinc/17/27/25/551172725.db2.gz XSGIJKOPPBIBJG-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM COc1ccsc1S(=O)(=O)[N-]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000121405264 551233785 /nfs/dbraw/zinc/23/37/85/551233785.db2.gz DOPTZABSOFMURR-UHFFFAOYSA-N -1 3 385.467 2.754 20 5 GFBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163393142 551619411 /nfs/dbraw/zinc/61/94/11/551619411.db2.gz DDQNIGQDKUOYPG-NEPJUHHUSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167272248 551632968 /nfs/dbraw/zinc/63/29/68/551632968.db2.gz TVGLVOCGYFAQEB-DFBGVHRSSA-N -1 3 386.857 2.874 20 5 GFBDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000167626514 551633452 /nfs/dbraw/zinc/63/34/52/551633452.db2.gz ITGLVCPKLLYNGQ-UHFFFAOYSA-N -1 3 386.861 2.585 20 5 GFBDHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173470699 552086123 /nfs/dbraw/zinc/08/61/23/552086123.db2.gz AIFQICIEPCDINN-VIFPVBQESA-N -1 3 386.861 2.508 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000173466432 552086166 /nfs/dbraw/zinc/08/61/66/552086166.db2.gz ALCRXYYKKBRDTG-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000249393125 553142946 /nfs/dbraw/zinc/14/29/46/553142946.db2.gz GGVMXKCSYODKPX-CDEUHXGRSA-N -1 3 388.511 2.570 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000301814803 563413159 /nfs/dbraw/zinc/41/31/59/563413159.db2.gz ZIISOTNYIYLPCB-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000285712270 563533316 /nfs/dbraw/zinc/53/33/16/563533316.db2.gz TWSDLEYZISPGGU-UWVGGRQHSA-N -1 3 382.360 2.565 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cccc(C(F)(F)F)n1 ZINC000432293166 563579222 /nfs/dbraw/zinc/57/92/22/563579222.db2.gz DMRFZGOJEWOEJT-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000439188983 563719271 /nfs/dbraw/zinc/71/92/71/563719271.db2.gz HSXMBKUQOGFIIH-UHFFFAOYSA-N -1 3 378.435 2.833 20 5 GFBDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443345899 563802203 /nfs/dbraw/zinc/80/22/03/563802203.db2.gz SVIQZZXCEVOLDV-VHSXEESVSA-N -1 3 384.376 2.689 20 5 GFBDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410182 563824535 /nfs/dbraw/zinc/82/45/35/563824535.db2.gz DVQHZTRQNVEMCJ-JTQLQIEISA-N -1 3 384.376 2.691 20 5 GFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(OC)c1Br ZINC000445139996 563843627 /nfs/dbraw/zinc/84/36/27/563843627.db2.gz XFXXJKKHAGVUNC-UHFFFAOYSA-N -1 3 398.169 2.727 20 5 GFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000416532972 563843988 /nfs/dbraw/zinc/84/39/88/563843988.db2.gz YIXZYRFSYAPKQX-JGZJWPJOSA-N -1 3 382.360 2.848 20 5 GFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416536936 563845269 /nfs/dbraw/zinc/84/52/69/563845269.db2.gz RIHCQEPTBVDIKU-PHIMTYICSA-N -1 3 382.360 2.848 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601794 563852252 /nfs/dbraw/zinc/85/22/52/563852252.db2.gz WMHJTLFHCOYLFO-CBAPKCEASA-N -1 3 381.273 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2F)c(Br)c1 ZINC000446967280 563871766 /nfs/dbraw/zinc/87/17/66/563871766.db2.gz UOFICSGAPVQFQO-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCSCC2)c(Br)c1 ZINC000447037729 563873142 /nfs/dbraw/zinc/87/31/42/563873142.db2.gz JAXOSJFKKXXXPI-UHFFFAOYSA-N -1 3 395.300 2.779 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451645600 564334944 /nfs/dbraw/zinc/33/49/44/564334944.db2.gz BDPSCIRITHJMHJ-MRVPVSSYSA-N -1 3 390.767 2.884 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000476639907 564349251 /nfs/dbraw/zinc/34/92/51/564349251.db2.gz UIOPPDJCKFMROE-ZCFIWIBFSA-N -1 3 391.165 2.834 20 5 GFBDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000513121138 564420631 /nfs/dbraw/zinc/42/06/31/564420631.db2.gz YWOGWAXQOGSQPE-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480746419 564485988 /nfs/dbraw/zinc/48/59/88/564485988.db2.gz BJGZYGKQGQLRSN-JTQLQIEISA-N -1 3 378.834 2.647 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000549531649 564597906 /nfs/dbraw/zinc/59/79/06/564597906.db2.gz KIVGUXXQQWGWIM-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000520883845 564615939 /nfs/dbraw/zinc/61/59/39/564615939.db2.gz YKNPOVCEOXCHQT-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000577882027 564738105 /nfs/dbraw/zinc/73/81/05/564738105.db2.gz JIKZQMKGVVZTSP-AWEZNQCLSA-N -1 3 384.841 2.959 20 5 GFBDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000490456777 564772299 /nfs/dbraw/zinc/77/22/99/564772299.db2.gz GBBNHJMYFVYQNJ-UHFFFAOYSA-N -1 3 390.874 2.744 20 5 GFBDHM CCSc1cc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])ccn1 ZINC000494292556 564822495 /nfs/dbraw/zinc/82/24/95/564822495.db2.gz HBOFMEHRFVBEJI-UHFFFAOYSA-N -1 3 383.451 2.589 20 5 GFBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000494369136 564826610 /nfs/dbraw/zinc/82/66/10/564826610.db2.gz NUFYSVDXNPVGKD-SNVBAGLBSA-N -1 3 393.259 2.593 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530617826 564889363 /nfs/dbraw/zinc/88/93/63/564889363.db2.gz IKANAKFKHHAEDT-HNNXBMFYSA-N -1 3 383.857 2.829 20 5 GFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144983 564946917 /nfs/dbraw/zinc/94/69/17/564946917.db2.gz KFJACYWAQGPGRC-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467047024 564953988 /nfs/dbraw/zinc/95/39/88/564953988.db2.gz AKYINXSNROLUNV-IJLUTSLNSA-N -1 3 375.516 2.609 20 5 GFBDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCO2 ZINC000467094865 564956191 /nfs/dbraw/zinc/95/61/91/564956191.db2.gz ZLOGJZICZPIMPD-LBPRGKRZSA-N -1 3 384.435 2.775 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467405109 564962813 /nfs/dbraw/zinc/96/28/13/564962813.db2.gz DVCHEOLJQMJGIT-MRVPVSSYSA-N -1 3 392.405 2.989 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000467986213 564976977 /nfs/dbraw/zinc/97/69/77/564976977.db2.gz VERRRJPIVREFIU-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614169 565050731 /nfs/dbraw/zinc/05/07/31/565050731.db2.gz TWLOJQDNYRIAQT-FRRDWIJNSA-N -1 3 389.905 2.893 20 5 GFBDHM O=[N+]([O-])c1ncccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588068211 565125396 /nfs/dbraw/zinc/12/53/96/565125396.db2.gz NCJCTEWOMDWTBX-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326604 565224121 /nfs/dbraw/zinc/22/41/21/565224121.db2.gz VYFFUTKNPTYHOP-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592117747 565259234 /nfs/dbraw/zinc/25/92/34/565259234.db2.gz TWUQGGGDZSGYKV-WDEREUQCSA-N -1 3 390.483 2.753 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000619423481 565339830 /nfs/dbraw/zinc/33/98/30/565339830.db2.gz ICXLXUZKAACXBU-CYBMUJFWSA-N -1 3 395.213 2.535 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3Cl)CC2)nc1 ZINC000593568789 565343020 /nfs/dbraw/zinc/34/30/20/565343020.db2.gz JCLGDKHJFYFNDA-UHFFFAOYSA-N -1 3 385.804 2.792 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488221 565396073 /nfs/dbraw/zinc/39/60/73/565396073.db2.gz QRXSPYFVYXUVCK-ZWNOBZJWSA-N -1 3 382.360 2.682 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594869788 565432397 /nfs/dbraw/zinc/43/23/97/565432397.db2.gz GVKBGGJULRJPCV-UHFFFAOYSA-N -1 3 376.381 2.850 20 5 GFBDHM O=c1[n-]ccc(N2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596456965 565525186 /nfs/dbraw/zinc/52/51/86/565525186.db2.gz XIEHRKMAJIGTMP-UHFFFAOYSA-N -1 3 379.214 2.785 20 5 GFBDHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)OC)c1 ZINC000599362210 565672231 /nfs/dbraw/zinc/67/22/31/565672231.db2.gz IDCFACVYZQRPTJ-CQSZACIVSA-N -1 3 386.451 2.639 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000601433144 565783817 /nfs/dbraw/zinc/78/38/17/565783817.db2.gz BUUGHPKLUNEULL-UHFFFAOYSA-N -1 3 382.360 2.871 20 5 GFBDHM Cn1cc(Br)c(=NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[n-]1 ZINC000603044948 565882874 /nfs/dbraw/zinc/88/28/74/565882874.db2.gz SQGVDZPOFGBEEF-UHFFFAOYSA-N -1 3 394.229 2.709 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c1 ZINC000609418076 566039463 /nfs/dbraw/zinc/03/94/63/566039463.db2.gz KXVJLTZMQUXVAP-UHFFFAOYSA-N -1 3 375.244 2.824 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Br)c1 ZINC000610955783 566107801 /nfs/dbraw/zinc/10/78/01/566107801.db2.gz WPXBOKMBRVKVNF-LLVKDONJSA-N -1 3 397.250 2.976 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Br)c1 ZINC000610957370 566107974 /nfs/dbraw/zinc/10/79/74/566107974.db2.gz FQFITBWHFBXBHK-SSDOTTSWSA-N -1 3 385.186 2.823 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c(Cl)c1 ZINC000611019572 566111470 /nfs/dbraw/zinc/11/14/70/566111470.db2.gz NZZVKULLHVWBCG-ZDUSSCGKSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737282214 598886711 /nfs/dbraw/zinc/88/67/11/598886711.db2.gz CBJLWDHITCGFJV-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737282214 598886713 /nfs/dbraw/zinc/88/67/13/598886713.db2.gz CBJLWDHITCGFJV-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738367958 598977123 /nfs/dbraw/zinc/97/71/23/598977123.db2.gz ABXQWEXCBNWHGI-NSHDSACASA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738367958 598977124 /nfs/dbraw/zinc/97/71/24/598977124.db2.gz ABXQWEXCBNWHGI-NSHDSACASA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371693 599044737 /nfs/dbraw/zinc/04/47/37/599044737.db2.gz WURKNLVVPLXBRR-CYBMUJFWSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371693 599044740 /nfs/dbraw/zinc/04/47/40/599044740.db2.gz WURKNLVVPLXBRR-CYBMUJFWSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(OCC3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823648347 599059457 /nfs/dbraw/zinc/05/94/57/599059457.db2.gz VKRFLBBRJPMRLI-UHFFFAOYSA-N -1 3 387.444 2.736 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(OCC3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823648347 599059460 /nfs/dbraw/zinc/05/94/60/599059460.db2.gz VKRFLBBRJPMRLI-UHFFFAOYSA-N -1 3 387.444 2.736 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822242203 599061432 /nfs/dbraw/zinc/06/14/32/599061432.db2.gz DQQJZCCNCXZGLP-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822242203 599061435 /nfs/dbraw/zinc/06/14/35/599061435.db2.gz DQQJZCCNCXZGLP-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM COc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000821717574 599062080 /nfs/dbraw/zinc/06/20/80/599062080.db2.gz QWPILSVVWIPPMW-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000821717574 599062083 /nfs/dbraw/zinc/06/20/83/599062083.db2.gz QWPILSVVWIPPMW-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000735708708 599062718 /nfs/dbraw/zinc/06/27/18/599062718.db2.gz NZTWOHLRJUWQOQ-ZDUSSCGKSA-N -1 3 391.432 2.736 20 5 GFBDHM CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000735708708 599062721 /nfs/dbraw/zinc/06/27/21/599062721.db2.gz NZTWOHLRJUWQOQ-ZDUSSCGKSA-N -1 3 391.432 2.736 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000737949623 599064124 /nfs/dbraw/zinc/06/41/24/599064124.db2.gz ZOCXXBGTKJKQQW-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000737949623 599064127 /nfs/dbraw/zinc/06/41/27/599064127.db2.gz ZOCXXBGTKJKQQW-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM CCc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000821487814 599098886 /nfs/dbraw/zinc/09/88/86/599098886.db2.gz YFVKHILZZZHQPN-UHFFFAOYSA-N -1 3 379.424 2.664 20 5 GFBDHM CCc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000821487814 599098888 /nfs/dbraw/zinc/09/88/88/599098888.db2.gz YFVKHILZZZHQPN-UHFFFAOYSA-N -1 3 379.424 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823639998 599109736 /nfs/dbraw/zinc/10/97/36/599109736.db2.gz ONWBITROVHCDSK-KBXCAEBGSA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823639998 599109738 /nfs/dbraw/zinc/10/97/38/599109738.db2.gz ONWBITROVHCDSK-KBXCAEBGSA-N -1 3 380.408 2.867 20 5 GFBDHM Cc1ccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737363646 599206080 /nfs/dbraw/zinc/20/60/80/599206080.db2.gz DCONTEAQJZQPGT-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737363646 599206081 /nfs/dbraw/zinc/20/60/81/599206081.db2.gz DCONTEAQJZQPGT-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738366968 599256359 /nfs/dbraw/zinc/25/63/59/599256359.db2.gz LORKMKKJOLUENZ-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738366968 599256362 /nfs/dbraw/zinc/25/63/62/599256362.db2.gz LORKMKKJOLUENZ-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738230507 598290168 /nfs/dbraw/zinc/29/01/68/598290168.db2.gz FNZMYKFRMWRFBK-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738230507 598290169 /nfs/dbraw/zinc/29/01/69/598290169.db2.gz FNZMYKFRMWRFBK-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM Nc1nc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)ncc1[N+](=O)[O-] ZINC000737775937 598556938 /nfs/dbraw/zinc/55/69/38/598556938.db2.gz DVOWNMMTDJQAQA-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM Nc1nc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)ncc1[N+](=O)[O-] ZINC000737775937 598556940 /nfs/dbraw/zinc/55/69/40/598556940.db2.gz DVOWNMMTDJQAQA-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738223899 598583704 /nfs/dbraw/zinc/58/37/04/598583704.db2.gz YWYCMJKCKQQQAF-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736184836 598735607 /nfs/dbraw/zinc/73/56/07/598735607.db2.gz OBGRBAYBFLQYFS-RYUDHWBXSA-N -1 3 394.391 2.520 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736184836 598735608 /nfs/dbraw/zinc/73/56/08/598735608.db2.gz OBGRBAYBFLQYFS-RYUDHWBXSA-N -1 3 394.391 2.520 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000738368984 598792455 /nfs/dbraw/zinc/79/24/55/598792455.db2.gz HIDJIYCWSOKTMW-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000738368984 598792456 /nfs/dbraw/zinc/79/24/56/598792456.db2.gz HIDJIYCWSOKTMW-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM CS(=O)(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000821938125 599316214 /nfs/dbraw/zinc/31/62/14/599316214.db2.gz XEWISGHLZJDVCV-UHFFFAOYSA-N -1 3 395.784 2.624 20 5 GFBDHM CS(=O)(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000821938125 599316217 /nfs/dbraw/zinc/31/62/17/599316217.db2.gz XEWISGHLZJDVCV-UHFFFAOYSA-N -1 3 395.784 2.624 20 5 GFBDHM O=C1[C@@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513551 599353933 /nfs/dbraw/zinc/35/39/33/599353933.db2.gz VAEVOTYEJISRMH-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513551 599353935 /nfs/dbraw/zinc/35/39/35/599353935.db2.gz VAEVOTYEJISRMH-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000823639502 599466235 /nfs/dbraw/zinc/46/62/35/599466235.db2.gz BHQIKMXCVIBKET-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000823639502 599466236 /nfs/dbraw/zinc/46/62/36/599466236.db2.gz BHQIKMXCVIBKET-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000736602130 599518597 /nfs/dbraw/zinc/51/85/97/599518597.db2.gz GZNWDIVOOIYHJZ-UHFFFAOYSA-N -1 3 390.743 2.792 20 5 GFBDHM CCOC(=O)c1ccnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1[N+](=O)[O-] ZINC000736602130 599518599 /nfs/dbraw/zinc/51/85/99/599518599.db2.gz GZNWDIVOOIYHJZ-UHFFFAOYSA-N -1 3 390.743 2.792 20 5 GFBDHM C[C@@H]1COCCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736291859 599535504 /nfs/dbraw/zinc/53/55/04/599535504.db2.gz DDJNYODFWHTJQK-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@@H]1COCCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736291859 599535506 /nfs/dbraw/zinc/53/55/06/599535506.db2.gz DDJNYODFWHTJQK-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645479 599564666 /nfs/dbraw/zinc/56/46/66/599564666.db2.gz QWHXJKAHBSMVEU-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCNc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645479 599564667 /nfs/dbraw/zinc/56/46/67/599564667.db2.gz QWHXJKAHBSMVEU-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM CN(C)[C@H]1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737358929 599854644 /nfs/dbraw/zinc/85/46/44/599854644.db2.gz NEBXKKBNSGSOKG-AWEZNQCLSA-N -1 3 383.404 2.664 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000821745101 607410529 /nfs/dbraw/zinc/41/05/29/607410529.db2.gz DMWYDUAXNQLWKT-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000821745101 607410530 /nfs/dbraw/zinc/41/05/30/607410530.db2.gz DMWYDUAXNQLWKT-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000826250906 607432096 /nfs/dbraw/zinc/43/20/96/607432096.db2.gz YLNSEOGZLBTPTE-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000826250906 607432097 /nfs/dbraw/zinc/43/20/97/607432097.db2.gz YLNSEOGZLBTPTE-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000826187328 607525206 /nfs/dbraw/zinc/52/52/06/607525206.db2.gz LKVUKUSVLKBPAN-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000826187328 607525208 /nfs/dbraw/zinc/52/52/08/607525208.db2.gz LKVUKUSVLKBPAN-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COC(=O)C1CCN(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000831112534 602251619 /nfs/dbraw/zinc/25/16/19/602251619.db2.gz ANXIAYQISYBHKY-UHFFFAOYSA-N -1 3 399.831 2.633 20 5 GFBDHM C[C@@H](Cc1ccncc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820300608 606478403 /nfs/dbraw/zinc/47/84/03/606478403.db2.gz RRHAJPAQPOOEIE-NSHDSACASA-N -1 3 376.380 2.761 20 5 GFBDHM C[C@@H](Cc1ccncc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820300608 606478404 /nfs/dbraw/zinc/47/84/04/606478404.db2.gz RRHAJPAQPOOEIE-NSHDSACASA-N -1 3 376.380 2.761 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000823635348 606645172 /nfs/dbraw/zinc/64/51/72/606645172.db2.gz WHHRGHIIPPJKRF-OAHLLOKOSA-N -1 3 394.391 2.888 20 5 GFBDHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820503267 606671509 /nfs/dbraw/zinc/67/15/09/606671509.db2.gz ZPXCUMNTFWRTJB-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820503267 606671510 /nfs/dbraw/zinc/67/15/10/606671510.db2.gz ZPXCUMNTFWRTJB-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000823650773 607129325 /nfs/dbraw/zinc/12/93/25/607129325.db2.gz AFPZACHCCGGQEM-UHFFFAOYSA-N -1 3 381.121 2.864 20 5 GFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000823650773 607129326 /nfs/dbraw/zinc/12/93/26/607129326.db2.gz AFPZACHCCGGQEM-UHFFFAOYSA-N -1 3 381.121 2.864 20 5 GFBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824391805 607811046 /nfs/dbraw/zinc/81/10/46/607811046.db2.gz KSPVISIFEFXQSI-GFCCVEGCSA-N -1 3 382.380 2.709 20 5 GFBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824391805 607811047 /nfs/dbraw/zinc/81/10/47/607811047.db2.gz KSPVISIFEFXQSI-GFCCVEGCSA-N -1 3 382.380 2.709 20 5 GFBDHM CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000824029925 607903493 /nfs/dbraw/zinc/90/34/93/607903493.db2.gz VNGMOMMWGCGGBD-UHFFFAOYSA-N -1 3 378.392 2.583 20 5 GFBDHM CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000824029925 607903494 /nfs/dbraw/zinc/90/34/94/607903494.db2.gz VNGMOMMWGCGGBD-UHFFFAOYSA-N -1 3 378.392 2.583 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826497622 607905596 /nfs/dbraw/zinc/90/55/96/607905596.db2.gz NQHKVNAXQWFTNX-CQSZACIVSA-N -1 3 390.407 2.794 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826497622 607905597 /nfs/dbraw/zinc/90/55/97/607905597.db2.gz NQHKVNAXQWFTNX-CQSZACIVSA-N -1 3 390.407 2.794 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825626870 607995989 /nfs/dbraw/zinc/99/59/89/607995989.db2.gz QCBRVSQZHSCVJA-UHFFFAOYSA-N -1 3 397.395 2.538 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825626870 607995990 /nfs/dbraw/zinc/99/59/90/607995990.db2.gz QCBRVSQZHSCVJA-UHFFFAOYSA-N -1 3 397.395 2.538 20 5 GFBDHM Cn1c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2nc1C1CC1 ZINC000826355038 608018414 /nfs/dbraw/zinc/01/84/14/608018414.db2.gz HOCUGSZQKTZQDK-UHFFFAOYSA-N -1 3 377.368 2.678 20 5 GFBDHM Cn1c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2nc1C1CC1 ZINC000826355038 608018415 /nfs/dbraw/zinc/01/84/15/608018415.db2.gz HOCUGSZQKTZQDK-UHFFFAOYSA-N -1 3 377.368 2.678 20 5 GFBDHM CCOc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000825616072 608052248 /nfs/dbraw/zinc/05/22/48/608052248.db2.gz VNVASZSXPUWCTH-GOSISDBHSA-N -1 3 396.407 2.752 20 5 GFBDHM CCOc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000825616072 608052249 /nfs/dbraw/zinc/05/22/49/608052249.db2.gz VNVASZSXPUWCTH-GOSISDBHSA-N -1 3 396.407 2.752 20 5 GFBDHM Cc1noc(C)c1CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826338688 608163354 /nfs/dbraw/zinc/16/33/54/608163354.db2.gz DRYHVKWKYXBFCD-UHFFFAOYSA-N -1 3 391.775 2.604 20 5 GFBDHM Cc1noc(C)c1CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826338688 608163356 /nfs/dbraw/zinc/16/33/56/608163356.db2.gz DRYHVKWKYXBFCD-UHFFFAOYSA-N -1 3 391.775 2.604 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464836 608254658 /nfs/dbraw/zinc/25/46/58/608254658.db2.gz OIYZWZUDUKOXPL-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464836 608254660 /nfs/dbraw/zinc/25/46/60/608254660.db2.gz OIYZWZUDUKOXPL-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000826440983 608306147 /nfs/dbraw/zinc/30/61/47/608306147.db2.gz IHOZIHBENQTHBJ-UHFFFAOYSA-N -1 3 390.359 2.965 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000826440983 608306148 /nfs/dbraw/zinc/30/61/48/608306148.db2.gz IHOZIHBENQTHBJ-UHFFFAOYSA-N -1 3 390.359 2.965 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826466921 608443958 /nfs/dbraw/zinc/44/39/58/608443958.db2.gz ZDTDQXOHFANQAO-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826466921 608443959 /nfs/dbraw/zinc/44/39/59/608443959.db2.gz ZDTDQXOHFANQAO-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341249 608471174 /nfs/dbraw/zinc/47/11/74/608471174.db2.gz BNOBIQPSUOCVJW-QWRGUYRKSA-N -1 3 399.411 2.663 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000825958327 609313384 /nfs/dbraw/zinc/31/33/84/609313384.db2.gz RURGCLMDRMGXHX-UHFFFAOYSA-N -1 3 388.334 2.525 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000825958327 609313385 /nfs/dbraw/zinc/31/33/85/609313385.db2.gz RURGCLMDRMGXHX-UHFFFAOYSA-N -1 3 388.334 2.525 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000119598969 655308469 /nfs/dbraw/zinc/30/84/69/655308469.db2.gz NZAXKTQNYNITNX-VIFPVBQESA-N -1 3 381.435 2.581 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000725828083 655527328 /nfs/dbraw/zinc/52/73/28/655527328.db2.gz VCIDPYFCKVHBIK-GFCCVEGCSA-N -1 3 375.878 2.647 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000734886161 655636108 /nfs/dbraw/zinc/63/61/08/655636108.db2.gz ONXQPAHWXHGLQO-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)cc1Br ZINC000742347948 655717114 /nfs/dbraw/zinc/71/71/14/655717114.db2.gz ZJIBWVHERCVHOI-UHFFFAOYSA-N -1 3 377.138 2.588 20 5 GFBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000746668630 655765898 /nfs/dbraw/zinc/76/58/98/655765898.db2.gz DPAKMIFEUBGPEB-PSASIEDQSA-N -1 3 395.300 2.920 20 5 GFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000751467273 655828629 /nfs/dbraw/zinc/82/86/29/655828629.db2.gz GGUMLNQNNPCEOH-CQSZACIVSA-N -1 3 384.841 2.877 20 5 GFBDHM COc1cc(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1Cl ZINC000759168241 655949854 /nfs/dbraw/zinc/94/98/54/655949854.db2.gz OCHGGBGQFZOBHY-UHFFFAOYSA-N -1 3 393.208 2.611 20 5 GFBDHM CCc1cc(=O)[n-]c(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000792892895 658326170 /nfs/dbraw/zinc/32/61/70/658326170.db2.gz UXBXAXPGEYFLDW-UHFFFAOYSA-N -1 3 393.241 2.974 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCCC1 ZINC000809808298 659940204 /nfs/dbraw/zinc/94/02/04/659940204.db2.gz NJPGLRMOZRSZCE-VIFPVBQESA-N -1 3 382.269 2.664 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000814990023 660100371 /nfs/dbraw/zinc/10/03/71/660100371.db2.gz YEVTWDZADIMCFK-MNOVXSKESA-N -1 3 393.868 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000849448278 661727018 /nfs/dbraw/zinc/72/70/18/661727018.db2.gz WGLXSXCXHKIGKJ-VIFPVBQESA-N -1 3 380.344 2.604 20 5 GFBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820483 661834724 /nfs/dbraw/zinc/83/47/24/661834724.db2.gz ALKWIXQFWHBTIN-VIFPVBQESA-N -1 3 382.269 2.664 20 5 GFBDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000130287243 551362753 /nfs/dbraw/zinc/36/27/53/551362753.db2.gz VEEOFSPBFNFAOH-SNVBAGLBSA-N -1 3 389.886 2.939 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157848534 551543267 /nfs/dbraw/zinc/54/32/67/551543267.db2.gz ADCDWSGIRGXBQN-RYUDHWBXSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000173535956 552087775 /nfs/dbraw/zinc/08/77/75/552087775.db2.gz PUBDNEKWFGFKIZ-QWHCGFSZSA-N -1 3 384.845 2.907 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000187169564 552408141 /nfs/dbraw/zinc/40/81/41/552408141.db2.gz CUBUUEBCLOVYKX-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM COCCn1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000277713335 563222553 /nfs/dbraw/zinc/22/25/53/563222553.db2.gz MHBDVKPZMYCLJG-UHFFFAOYSA-N -1 3 375.204 2.514 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCc2nc(C)sc21 ZINC000373128264 563329372 /nfs/dbraw/zinc/32/93/72/563329372.db2.gz YOOCLFJMYGPIAY-LBPRGKRZSA-N -1 3 383.451 2.724 20 5 GFBDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000414476631 563743488 /nfs/dbraw/zinc/74/34/88/563743488.db2.gz XVYBQWKITRTLNT-UHFFFAOYSA-N -1 3 389.430 2.537 20 5 GFBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443345901 563801833 /nfs/dbraw/zinc/80/18/33/563801833.db2.gz SVIQZZXCEVOLDV-ZJUUUORDSA-N -1 3 384.376 2.689 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000443732887 563811172 /nfs/dbraw/zinc/81/11/72/563811172.db2.gz NMVAKDZJZJGVNF-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CCOCC1 ZINC000416386205 563821137 /nfs/dbraw/zinc/82/11/37/563821137.db2.gz HXFGSJGBMZKSRH-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000416438375 563828824 /nfs/dbraw/zinc/82/88/24/563828824.db2.gz JZTLBQVWUVSNKJ-PWSUYJOCSA-N -1 3 382.360 2.850 20 5 GFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455455 563831026 /nfs/dbraw/zinc/83/10/26/563831026.db2.gz JWHQBDNPRYQYBM-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000416457731 563831553 /nfs/dbraw/zinc/83/15/53/563831553.db2.gz OSIGASNOLDWIIL-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1cc(CNc2cc(N(C)C)c(Br)cn2)cc([N+](=O)[O-])c1[O-] ZINC000449641720 564193545 /nfs/dbraw/zinc/19/35/45/564193545.db2.gz DTBOMOVMUCDBCT-UHFFFAOYSA-N -1 3 397.229 2.567 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1c(F)cccc1SC ZINC000509618165 564305623 /nfs/dbraw/zinc/30/56/23/564305623.db2.gz MSNWAYBHJIWGMD-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611278 564348008 /nfs/dbraw/zinc/34/80/08/564348008.db2.gz YZRRQSIMTBXVOW-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000511023567 564354104 /nfs/dbraw/zinc/35/41/04/564354104.db2.gz AMJBWZTVWSJBAL-SSDOTTSWSA-N -1 3 377.756 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccsc2)c(Br)c1 ZINC000513110225 564420825 /nfs/dbraw/zinc/42/08/25/564420825.db2.gz LUMZAAHGHMVPRX-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM CN(C)CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000545492163 564426295 /nfs/dbraw/zinc/42/62/95/564426295.db2.gz ZZHNMYAUJXSFPI-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1C ZINC000546880467 564472775 /nfs/dbraw/zinc/47/27/75/564472775.db2.gz WZMQJADWNADRBP-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696034 564482557 /nfs/dbraw/zinc/48/25/57/564482557.db2.gz VRMFSNGGYPYKJD-VIFPVBQESA-N -1 3 384.285 2.910 20 5 GFBDHM COCCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000481221107 564505851 /nfs/dbraw/zinc/50/58/51/564505851.db2.gz XGASPZJXKQHXHT-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487115536 564676017 /nfs/dbraw/zinc/67/60/17/564676017.db2.gz REHYZGSRTFEVTP-JTQLQIEISA-N -1 3 384.435 2.791 20 5 GFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000488952183 564725360 /nfs/dbraw/zinc/72/53/60/564725360.db2.gz ZFQTXNRMINXWGB-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)cc1C ZINC000490469743 564773479 /nfs/dbraw/zinc/77/34/79/564773479.db2.gz IXQIFQHLWAPTFR-UHFFFAOYSA-N -1 3 384.483 2.708 20 5 GFBDHM CCCC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493733761 564810944 /nfs/dbraw/zinc/81/09/44/564810944.db2.gz CQMDDOMOBSYNJF-UHFFFAOYSA-N -1 3 381.248 2.753 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000557856849 564882989 /nfs/dbraw/zinc/88/29/89/564882989.db2.gz APBGKJPTVWZSMS-CQSZACIVSA-N -1 3 388.804 2.789 20 5 GFBDHM O=C(C[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000464193520 564898544 /nfs/dbraw/zinc/89/85/44/564898544.db2.gz QCGLCHMCBQQOJZ-UHFFFAOYSA-N -1 3 382.825 2.593 20 5 GFBDHM CCSCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000499769019 564936576 /nfs/dbraw/zinc/93/65/76/564936576.db2.gz ZDOJWVLDFYDSDJ-UHFFFAOYSA-N -1 3 383.289 2.779 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2SC)c([N+](=O)[O-])c1 ZINC000466884468 564949347 /nfs/dbraw/zinc/94/93/47/564949347.db2.gz WUZQHTFFKXVDLL-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467071674 564955186 /nfs/dbraw/zinc/95/51/86/564955186.db2.gz JPBWQGDSGFIKSA-SNVBAGLBSA-N -1 3 386.451 2.719 20 5 GFBDHM O=c1nc(Cn2cc(Br)c([N+](=O)[O-])n2)[n-]c2sc3c(c21)CCC3 ZINC000502857590 565007606 /nfs/dbraw/zinc/00/76/06/565007606.db2.gz QSNJOLVIJXASSF-UHFFFAOYSA-N -1 3 396.226 2.801 20 5 GFBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnn1C ZINC000615943963 565181382 /nfs/dbraw/zinc/18/13/82/565181382.db2.gz FIALXRSROJJCST-GFCCVEGCSA-N -1 3 386.861 2.700 20 5 GFBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547515 565340400 /nfs/dbraw/zinc/34/04/00/565340400.db2.gz RZQHOYGOVOVQKN-BMIGLBTASA-N -1 3 385.829 2.698 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594477275 565393677 /nfs/dbraw/zinc/39/36/77/565393677.db2.gz LEPMVBRKCOWTRQ-SECBINFHSA-N -1 3 378.834 2.504 20 5 GFBDHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381393 565471782 /nfs/dbraw/zinc/47/17/82/565471782.db2.gz JNYFQNUYMUZZIP-NHYWBVRUSA-N -1 3 384.841 2.691 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCN(CC2CC2)C1 ZINC000595412273 565474680 /nfs/dbraw/zinc/47/46/80/565474680.db2.gz XKKYZJVHXPOKLG-ZDUSSCGKSA-N -1 3 387.889 2.649 20 5 GFBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(Br)s3)CC2)c1[N+](=O)[O-] ZINC000596057147 565510516 /nfs/dbraw/zinc/51/05/16/565510516.db2.gz HUYOULDXWXYZSB-UHFFFAOYSA-N -1 3 399.270 2.842 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000603975572 565920321 /nfs/dbraw/zinc/92/03/21/565920321.db2.gz BKBLFVRRLYZZNZ-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196299 566032576 /nfs/dbraw/zinc/03/25/76/566032576.db2.gz LDCJXYYJGDUFSW-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000611469283 566131772 /nfs/dbraw/zinc/13/17/72/566131772.db2.gz CEIWMRIXESAAAZ-SKDRFNHKSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736139702 598855516 /nfs/dbraw/zinc/85/55/16/598855516.db2.gz XHBHUPAMKMDFHD-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736139702 598855517 /nfs/dbraw/zinc/85/55/17/598855517.db2.gz XHBHUPAMKMDFHD-JTQLQIEISA-N -1 3 378.352 2.998 20 5 GFBDHM Cc1noc(COc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)n1 ZINC000737545568 598914941 /nfs/dbraw/zinc/91/49/41/598914941.db2.gz HPCHKRNNDAABIX-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM Cc1noc(COc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)n1 ZINC000737545568 598914942 /nfs/dbraw/zinc/91/49/42/598914942.db2.gz HPCHKRNNDAABIX-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000735628872 598943709 /nfs/dbraw/zinc/94/37/09/598943709.db2.gz ZXGHKTRZPBAQDI-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000735628872 598943711 /nfs/dbraw/zinc/94/37/11/598943711.db2.gz ZXGHKTRZPBAQDI-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822242441 599061289 /nfs/dbraw/zinc/06/12/89/599061289.db2.gz LFPMXXOWCLWOOT-QGZVFWFLSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822242441 599061292 /nfs/dbraw/zinc/06/12/92/599061292.db2.gz LFPMXXOWCLWOOT-QGZVFWFLSA-N -1 3 393.407 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccn(-c3ccc(F)cc3)n2)c(-c2nnn[n-]2)c1 ZINC000823639510 599069610 /nfs/dbraw/zinc/06/96/10/599069610.db2.gz BKXAHIRRNRKWEK-UHFFFAOYSA-N -1 3 394.370 2.754 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccn(-c3ccc(F)cc3)n2)c(-c2nn[n-]n2)c1 ZINC000823639510 599069611 /nfs/dbraw/zinc/06/96/11/599069611.db2.gz BKXAHIRRNRKWEK-UHFFFAOYSA-N -1 3 394.370 2.754 20 5 GFBDHM COc1ccccc1CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737151191 599257038 /nfs/dbraw/zinc/25/70/38/599257038.db2.gz YTAJJWSYVVMLEO-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM COc1ccccc1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737151191 599257040 /nfs/dbraw/zinc/25/70/40/599257040.db2.gz YTAJJWSYVVMLEO-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821412066 599265189 /nfs/dbraw/zinc/26/51/89/599265189.db2.gz HODUXLKETXIMHW-UHFFFAOYSA-N -1 3 397.395 2.538 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821412066 599265191 /nfs/dbraw/zinc/26/51/91/599265191.db2.gz HODUXLKETXIMHW-UHFFFAOYSA-N -1 3 397.395 2.538 20 5 GFBDHM Cc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000737273445 598458560 /nfs/dbraw/zinc/45/85/60/598458560.db2.gz CZSDISMNLIXYSY-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000737273445 598458561 /nfs/dbraw/zinc/45/85/61/598458561.db2.gz CZSDISMNLIXYSY-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2coc(-c3ccc(F)cc3)n2)c(-c2nnn[n-]2)c1 ZINC000738373492 598501347 /nfs/dbraw/zinc/50/13/47/598501347.db2.gz DRHZXVDJFCDUDV-UHFFFAOYSA-N -1 3 396.342 2.619 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCc2coc(-c3ccc(F)cc3)n2)c(-c2nn[n-]n2)c1 ZINC000738373492 598501350 /nfs/dbraw/zinc/50/13/50/598501350.db2.gz DRHZXVDJFCDUDV-UHFFFAOYSA-N -1 3 396.342 2.619 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738165294 598591585 /nfs/dbraw/zinc/59/15/85/598591585.db2.gz BMJMLGWRYPJIJP-UHFFFAOYSA-N -1 3 383.343 2.741 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738165294 598591587 /nfs/dbraw/zinc/59/15/87/598591587.db2.gz BMJMLGWRYPJIJP-UHFFFAOYSA-N -1 3 383.343 2.741 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736170143 598608586 /nfs/dbraw/zinc/60/85/86/598608586.db2.gz RWUJHDQXKIKMBP-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000737256385 598673611 /nfs/dbraw/zinc/67/36/11/598673611.db2.gz MOHFHCLEELLEEP-OAHLLOKOSA-N -1 3 382.428 2.647 20 5 GFBDHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000737256385 598673612 /nfs/dbraw/zinc/67/36/12/598673612.db2.gz MOHFHCLEELLEEP-OAHLLOKOSA-N -1 3 382.428 2.647 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737263466 599342484 /nfs/dbraw/zinc/34/24/84/599342484.db2.gz KCYGEXFWVXIREY-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737263466 599342487 /nfs/dbraw/zinc/34/24/87/599342487.db2.gz KCYGEXFWVXIREY-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM O=C1[C@H](Sc2ccccc2-c2nnn[n-]2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513553 599353785 /nfs/dbraw/zinc/35/37/85/599353785.db2.gz VAEVOTYEJISRMH-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@H](Sc2ccccc2-c2nn[n-]n2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513553 599353788 /nfs/dbraw/zinc/35/37/88/599353788.db2.gz VAEVOTYEJISRMH-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822334730 599490563 /nfs/dbraw/zinc/49/05/63/599490563.db2.gz FJENMOXAXCPXHU-UHFFFAOYSA-N -1 3 375.392 2.708 20 5 GFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822334730 599490565 /nfs/dbraw/zinc/49/05/65/599490565.db2.gz FJENMOXAXCPXHU-UHFFFAOYSA-N -1 3 375.392 2.708 20 5 GFBDHM CO[C@]1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678618 599688464 /nfs/dbraw/zinc/68/84/64/599688464.db2.gz QCKJZRMJLBKTKB-RDTXWAMCSA-N -1 3 383.412 2.939 20 5 GFBDHM CO[C@]1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678618 599688465 /nfs/dbraw/zinc/68/84/65/599688465.db2.gz QCKJZRMJLBKTKB-RDTXWAMCSA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000820170064 607406716 /nfs/dbraw/zinc/40/67/16/607406716.db2.gz OYIFUOASGJAIPN-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC000820170064 607406718 /nfs/dbraw/zinc/40/67/18/607406718.db2.gz OYIFUOASGJAIPN-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826427901 607418396 /nfs/dbraw/zinc/41/83/96/607418396.db2.gz GLHVYJBQXIVMEL-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826427901 607418398 /nfs/dbraw/zinc/41/83/98/607418398.db2.gz GLHVYJBQXIVMEL-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826422957 607426383 /nfs/dbraw/zinc/42/63/83/607426383.db2.gz SMPVHLSZENHZJP-UHFFFAOYSA-N -1 3 398.810 2.776 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826422957 607426384 /nfs/dbraw/zinc/42/63/84/607426384.db2.gz SMPVHLSZENHZJP-UHFFFAOYSA-N -1 3 398.810 2.776 20 5 GFBDHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082022 600187405 /nfs/dbraw/zinc/18/74/05/600187405.db2.gz SYQLZFAUDQLQBP-CQSZACIVSA-N -1 3 384.392 2.539 20 5 GFBDHM CC1CCC(N2CCN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000736769649 600625314 /nfs/dbraw/zinc/62/53/14/600625314.db2.gz VVEABNKEABVUJC-UHFFFAOYSA-N -1 3 392.412 2.902 20 5 GFBDHM COc1ccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1-c1nnn[n-]1 ZINC000826208529 607546269 /nfs/dbraw/zinc/54/62/69/607546269.db2.gz OXQNFTJJZDCMIM-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1-c1nn[n-]n1 ZINC000826208529 607546270 /nfs/dbraw/zinc/54/62/70/607546270.db2.gz OXQNFTJJZDCMIM-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205919 607595788 /nfs/dbraw/zinc/59/57/88/607595788.db2.gz UEPNAPXQGYKIBU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205919 607595789 /nfs/dbraw/zinc/59/57/89/607595789.db2.gz UEPNAPXQGYKIBU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826206143 607596336 /nfs/dbraw/zinc/59/63/36/607596336.db2.gz FOTLLCUYHYTPIE-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826206143 607596338 /nfs/dbraw/zinc/59/63/38/607596338.db2.gz FOTLLCUYHYTPIE-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823629655 606198905 /nfs/dbraw/zinc/19/89/05/606198905.db2.gz DIZHXLCASGIFJY-IUODEOHRSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823629655 606198907 /nfs/dbraw/zinc/19/89/07/606198907.db2.gz DIZHXLCASGIFJY-IUODEOHRSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1ccn(CCSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000823647272 606330167 /nfs/dbraw/zinc/33/01/67/606330167.db2.gz JNAVBUARWYVRKC-UHFFFAOYSA-N -1 3 394.420 2.826 20 5 GFBDHM O=[N+]([O-])c1ccn(CCSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000823647272 606330169 /nfs/dbraw/zinc/33/01/69/606330169.db2.gz JNAVBUARWYVRKC-UHFFFAOYSA-N -1 3 394.420 2.826 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508674 606339074 /nfs/dbraw/zinc/33/90/74/606339074.db2.gz UZSIMDVCRMHLKQ-LLVKDONJSA-N -1 3 382.380 2.759 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508674 606339076 /nfs/dbraw/zinc/33/90/76/606339076.db2.gz UZSIMDVCRMHLKQ-LLVKDONJSA-N -1 3 382.380 2.759 20 5 GFBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497877 606342551 /nfs/dbraw/zinc/34/25/51/606342551.db2.gz WDISIBUDBDDHRZ-JTQLQIEISA-N -1 3 387.327 2.597 20 5 GFBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497877 606342553 /nfs/dbraw/zinc/34/25/53/606342553.db2.gz WDISIBUDBDDHRZ-JTQLQIEISA-N -1 3 387.327 2.597 20 5 GFBDHM COc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821769082 606412721 /nfs/dbraw/zinc/41/27/21/606412721.db2.gz CNMHQDOPWBZSNB-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM COc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821769082 606412722 /nfs/dbraw/zinc/41/27/22/606412722.db2.gz CNMHQDOPWBZSNB-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000823651990 606432879 /nfs/dbraw/zinc/43/28/79/606432879.db2.gz UZHZVORYFIWISM-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000823651990 606432880 /nfs/dbraw/zinc/43/28/80/606432880.db2.gz UZHZVORYFIWISM-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228763 606448295 /nfs/dbraw/zinc/44/82/95/606448295.db2.gz FDPRRVNSONVRTJ-LXKVQUBZSA-N -1 3 378.392 2.974 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228763 606448297 /nfs/dbraw/zinc/44/82/97/606448297.db2.gz FDPRRVNSONVRTJ-LXKVQUBZSA-N -1 3 378.392 2.974 20 5 GFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820275242 606476878 /nfs/dbraw/zinc/47/68/78/606476878.db2.gz OGZDIJCJZSJFBD-NSHDSACASA-N -1 3 376.380 2.934 20 5 GFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820275242 606476879 /nfs/dbraw/zinc/47/68/79/606476879.db2.gz OGZDIJCJZSJFBD-NSHDSACASA-N -1 3 376.380 2.934 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823426906 606561627 /nfs/dbraw/zinc/56/16/27/606561627.db2.gz QIQNXPLGKWSNLV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823426906 606561629 /nfs/dbraw/zinc/56/16/29/606561629.db2.gz QIQNXPLGKWSNLV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822934682 606622744 /nfs/dbraw/zinc/62/27/44/606622744.db2.gz BPVMDOCIOMDLRG-UXBLZVDNSA-N -1 3 387.359 2.975 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822934682 606622745 /nfs/dbraw/zinc/62/27/45/606622745.db2.gz BPVMDOCIOMDLRG-UXBLZVDNSA-N -1 3 387.359 2.975 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1 ZINC000823635451 606646013 /nfs/dbraw/zinc/64/60/13/606646013.db2.gz WQKPYZRHPKGJKP-CQSZACIVSA-N -1 3 380.364 2.845 20 5 GFBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000823455315 606679759 /nfs/dbraw/zinc/67/97/59/606679759.db2.gz ZYBUEECSZZSULC-UHFFFAOYSA-N -1 3 386.318 2.646 20 5 GFBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000823455315 606679760 /nfs/dbraw/zinc/67/97/60/606679760.db2.gz ZYBUEECSZZSULC-UHFFFAOYSA-N -1 3 386.318 2.646 20 5 GFBDHM CC(C)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819987987 606685431 /nfs/dbraw/zinc/68/54/31/606685431.db2.gz PLRFCIDOMXNZOB-UHFFFAOYSA-N -1 3 388.334 2.718 20 5 GFBDHM CC(C)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819987987 606685432 /nfs/dbraw/zinc/68/54/32/606685432.db2.gz PLRFCIDOMXNZOB-UHFFFAOYSA-N -1 3 388.334 2.718 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc(-c3nnn[n-]3)c2c1 ZINC000823644644 606728638 /nfs/dbraw/zinc/72/86/38/606728638.db2.gz JVUWNNQKWPIPAX-PEYYIBSZSA-N -1 3 381.396 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc(-c3nn[n-]n3)c2c1 ZINC000823644644 606728640 /nfs/dbraw/zinc/72/86/40/606728640.db2.gz JVUWNNQKWPIPAX-PEYYIBSZSA-N -1 3 381.396 2.693 20 5 GFBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821616700 606880068 /nfs/dbraw/zinc/88/00/68/606880068.db2.gz CMZFSAAAKMTCFN-UHFFFAOYSA-N -1 3 376.380 2.801 20 5 GFBDHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821616700 606880069 /nfs/dbraw/zinc/88/00/69/606880069.db2.gz CMZFSAAAKMTCFN-UHFFFAOYSA-N -1 3 376.380 2.801 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000823401303 606947906 /nfs/dbraw/zinc/94/79/06/606947906.db2.gz SGPVRPAVKIBVEP-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000823401303 606947907 /nfs/dbraw/zinc/94/79/07/606947907.db2.gz SGPVRPAVKIBVEP-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000821703060 606963777 /nfs/dbraw/zinc/96/37/77/606963777.db2.gz MYBPASQZJWNLSL-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM COc1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000821703060 606963778 /nfs/dbraw/zinc/96/37/78/606963778.db2.gz MYBPASQZJWNLSL-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822271401 607026720 /nfs/dbraw/zinc/02/67/20/607026720.db2.gz ZAPPAEFBLSEXRG-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822271401 607026722 /nfs/dbraw/zinc/02/67/22/607026722.db2.gz ZAPPAEFBLSEXRG-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000822222323 607051016 /nfs/dbraw/zinc/05/10/16/607051016.db2.gz CLPNVNAPJMOIJJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000822222323 607051017 /nfs/dbraw/zinc/05/10/17/607051017.db2.gz CLPNVNAPJMOIJJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823413438 607081598 /nfs/dbraw/zinc/08/15/98/607081598.db2.gz HOBTYMTXEXHXFR-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823413438 607081599 /nfs/dbraw/zinc/08/15/99/607081599.db2.gz HOBTYMTXEXHXFR-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823418551 607087048 /nfs/dbraw/zinc/08/70/48/607087048.db2.gz RTCCRHTVEMIKPC-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823418551 607087049 /nfs/dbraw/zinc/08/70/49/607087049.db2.gz RTCCRHTVEMIKPC-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824390476 607810822 /nfs/dbraw/zinc/81/08/22/607810822.db2.gz AKGLXRUBWPXARL-GFCCVEGCSA-N -1 3 382.380 2.709 20 5 GFBDHM C[C@H](CC(=O)OCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824390476 607810823 /nfs/dbraw/zinc/81/08/23/607810823.db2.gz AKGLXRUBWPXARL-GFCCVEGCSA-N -1 3 382.380 2.709 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826501080 607839207 /nfs/dbraw/zinc/83/92/07/607839207.db2.gz YNFPOHRHRSYCOE-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826501080 607839208 /nfs/dbraw/zinc/83/92/08/607839208.db2.gz YNFPOHRHRSYCOE-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2cccnc2)c(-c2nnn[n-]2)c1 ZINC000826498056 608016538 /nfs/dbraw/zinc/01/65/38/608016538.db2.gz FWPPRLVDXXLENQ-UHFFFAOYSA-N -1 3 377.364 2.970 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2cccnc2)c(-c2nn[n-]n2)c1 ZINC000826498056 608016539 /nfs/dbraw/zinc/01/65/39/608016539.db2.gz FWPPRLVDXXLENQ-UHFFFAOYSA-N -1 3 377.364 2.970 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826400982 608121475 /nfs/dbraw/zinc/12/14/75/608121475.db2.gz MPVVVAQTFOFCHG-GHXNOFRVSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826400982 608121476 /nfs/dbraw/zinc/12/14/76/608121476.db2.gz MPVVVAQTFOFCHG-GHXNOFRVSA-N -1 3 390.403 2.979 20 5 GFBDHM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909489 608161211 /nfs/dbraw/zinc/16/12/11/608161211.db2.gz UHDQTQNRQCNBSD-PSASIEDQSA-N -1 3 380.792 2.715 20 5 GFBDHM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909489 608161213 /nfs/dbraw/zinc/16/12/13/608161213.db2.gz UHDQTQNRQCNBSD-PSASIEDQSA-N -1 3 380.792 2.715 20 5 GFBDHM O=C(Cc1ccc(F)cc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826422505 608161714 /nfs/dbraw/zinc/16/17/14/608161714.db2.gz BTDLNLDDPGVVAA-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Cc1ccc(F)cc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826422505 608161716 /nfs/dbraw/zinc/16/17/16/608161716.db2.gz BTDLNLDDPGVVAA-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826455246 608201368 /nfs/dbraw/zinc/20/13/68/608201368.db2.gz GCJTZLBCAOFPPO-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826455246 608201369 /nfs/dbraw/zinc/20/13/69/608201369.db2.gz GCJTZLBCAOFPPO-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824521626 608242311 /nfs/dbraw/zinc/24/23/11/608242311.db2.gz LYFLHCUMJVPKME-NSHDSACASA-N -1 3 389.375 2.814 20 5 GFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000824521626 608242313 /nfs/dbraw/zinc/24/23/13/608242313.db2.gz LYFLHCUMJVPKME-NSHDSACASA-N -1 3 389.375 2.814 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464569 608254258 /nfs/dbraw/zinc/25/42/58/608254258.db2.gz CKXLHZXBTKNKSG-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464569 608254260 /nfs/dbraw/zinc/25/42/60/608254260.db2.gz CKXLHZXBTKNKSG-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464680 608254487 /nfs/dbraw/zinc/25/44/87/608254487.db2.gz HXOKNZKBNGOOIE-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464680 608254489 /nfs/dbraw/zinc/25/44/89/608254489.db2.gz HXOKNZKBNGOOIE-UHFFFAOYSA-N -1 3 376.332 2.680 20 5 GFBDHM COc1ccc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1-c1nnn[n-]1 ZINC000826208382 608402802 /nfs/dbraw/zinc/40/28/02/608402802.db2.gz HZZZLRHPPKTSII-UHFFFAOYSA-N -1 3 385.771 2.835 20 5 GFBDHM COc1ccc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1-c1nn[n-]n1 ZINC000826208382 608402803 /nfs/dbraw/zinc/40/28/03/608402803.db2.gz HZZZLRHPPKTSII-UHFFFAOYSA-N -1 3 385.771 2.835 20 5 GFBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474598 608481020 /nfs/dbraw/zinc/48/10/20/608481020.db2.gz XDHKICPLDQZBAT-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474598 608481022 /nfs/dbraw/zinc/48/10/22/608481022.db2.gz XDHKICPLDQZBAT-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826498510 609280235 /nfs/dbraw/zinc/28/02/35/609280235.db2.gz YDZRQNKBGYPPAS-UHFFFAOYSA-N -1 3 398.333 2.851 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825830584 609378594 /nfs/dbraw/zinc/37/85/94/609378594.db2.gz XHCUFIITIVDFFM-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825830584 609378597 /nfs/dbraw/zinc/37/85/97/609378597.db2.gz XHCUFIITIVDFFM-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1 ZINC000826263688 609384929 /nfs/dbraw/zinc/38/49/29/609384929.db2.gz MNUPMMYQLXJIDC-UHFFFAOYSA-N -1 3 391.395 2.789 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1 ZINC000826263688 609384930 /nfs/dbraw/zinc/38/49/30/609384930.db2.gz MNUPMMYQLXJIDC-UHFFFAOYSA-N -1 3 391.395 2.789 20 5 GFBDHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184556 609598099 /nfs/dbraw/zinc/59/80/99/609598099.db2.gz WASOJZGPSKEQOU-WCBMZHEXSA-N -1 3 380.792 2.572 20 5 GFBDHM CC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184556 609598101 /nfs/dbraw/zinc/59/81/01/609598101.db2.gz WASOJZGPSKEQOU-WCBMZHEXSA-N -1 3 380.792 2.572 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1F ZINC000826465614 609613674 /nfs/dbraw/zinc/61/36/74/609613674.db2.gz UTNFVRPKEPXGJK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1F ZINC000826465614 609613675 /nfs/dbraw/zinc/61/36/75/609613675.db2.gz UTNFVRPKEPXGJK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCN1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000829935580 660623740 /nfs/dbraw/zinc/62/37/40/660623740.db2.gz IQNRDZWFEWJCIL-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000027969532 654567887 /nfs/dbraw/zinc/56/78/87/654567887.db2.gz GRXFIMQEVRULLX-LLVKDONJSA-N -1 3 384.435 2.547 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271313778 655075737 /nfs/dbraw/zinc/07/57/37/655075737.db2.gz ZUQSRMGXGDTTBZ-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1cccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173120375 655163246 /nfs/dbraw/zinc/16/32/46/655163246.db2.gz ZRNONEXASZATKK-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1 ZINC000112090668 655182020 /nfs/dbraw/zinc/18/20/20/655182020.db2.gz IHFKIRAWFOLIDW-JTQLQIEISA-N -1 3 383.813 2.554 20 5 GFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn2cc(Br)cnc12 ZINC000180391573 655326361 /nfs/dbraw/zinc/32/63/61/655326361.db2.gz DWZMVYWGVHDCBH-UHFFFAOYSA-N -1 3 380.133 2.791 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000194119309 655414242 /nfs/dbraw/zinc/41/42/42/655414242.db2.gz MLYQPSDZZORVBW-UHFFFAOYSA-N -1 3 376.316 2.622 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000725822606 655527001 /nfs/dbraw/zinc/52/70/01/655527001.db2.gz HUIHPOXTXLIVTJ-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000757348337 655910887 /nfs/dbraw/zinc/91/08/87/655910887.db2.gz JWINGFMNVKMYQV-UHFFFAOYSA-N -1 3 389.748 2.774 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000761336709 656012205 /nfs/dbraw/zinc/01/22/05/656012205.db2.gz KOZHQSHMRAKPMB-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM COc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000777644115 656831142 /nfs/dbraw/zinc/83/11/42/656831142.db2.gz BHJJYAGXCGVJGE-UHFFFAOYSA-N -1 3 391.764 2.600 20 5 GFBDHM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(Cl)n1 ZINC000777937038 656844362 /nfs/dbraw/zinc/84/43/62/656844362.db2.gz IQRKJKKTBMNUSC-UHFFFAOYSA-N -1 3 375.765 2.900 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC(C)(C)C ZINC000779914584 656963325 /nfs/dbraw/zinc/96/33/25/656963325.db2.gz VQPJHZQECPXBCG-SNVBAGLBSA-N -1 3 392.861 2.955 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(CC2)C3)c(Br)c1 ZINC000784419571 657308060 /nfs/dbraw/zinc/30/80/60/657308060.db2.gz YIKNKECDPOQINC-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845549 659948644 /nfs/dbraw/zinc/94/86/44/659948644.db2.gz OWSDQUSLIDIKCT-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM Cc1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])ccc1C(F)(F)F ZINC000811687768 660014255 /nfs/dbraw/zinc/01/42/55/660014255.db2.gz JHSLOKRBZYSWLS-UHFFFAOYSA-N -1 3 376.316 2.622 20 5 GFBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000813768432 660064426 /nfs/dbraw/zinc/06/44/26/660064426.db2.gz ZJSFQBKIGBFOPP-UHFFFAOYSA-N -1 3 392.861 2.957 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000814988707 660100271 /nfs/dbraw/zinc/10/02/71/660100271.db2.gz SPXVPPDUXHGTID-QWRGUYRKSA-N -1 3 393.868 2.786 20 5 GFBDHM Cc1cc(Cl)c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000815405425 660122203 /nfs/dbraw/zinc/12/22/03/660122203.db2.gz VRNMBZMJAMMFNY-UHFFFAOYSA-N -1 3 382.781 2.732 20 5 GFBDHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511805 551217455 /nfs/dbraw/zinc/21/74/55/551217455.db2.gz BRKJWUJMHKEAQV-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000120920502 551222772 /nfs/dbraw/zinc/22/27/72/551222772.db2.gz XUBHDQNWKDBGDK-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000123282766 551304717 /nfs/dbraw/zinc/30/47/17/551304717.db2.gz XFVHBTUEWLROKM-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)Cc1ccccc1 ZINC000129291874 551355330 /nfs/dbraw/zinc/35/53/30/551355330.db2.gz YPUPVWYFDKADRH-ABAIWWIYSA-N -1 3 384.841 2.519 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157848668 551543300 /nfs/dbraw/zinc/54/33/00/551543300.db2.gz ADCDWSGIRGXBQN-NEPJUHHUSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccnc2)c(C(F)(F)F)c1 ZINC000162743478 551611922 /nfs/dbraw/zinc/61/19/22/551611922.db2.gz LEAOTYUXVXPFOX-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c(C(F)(F)F)c1 ZINC000162727294 551612143 /nfs/dbraw/zinc/61/21/43/551612143.db2.gz HKGKQXKTGFGINN-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190057167 552486852 /nfs/dbraw/zinc/48/68/52/552486852.db2.gz GGVMXKCSYODKPX-LCHIKPRUSA-N -1 3 388.511 2.570 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246983554 553116725 /nfs/dbraw/zinc/11/67/25/553116725.db2.gz TVGLVOCGYFAQEB-KCPJHIHWSA-N -1 3 386.857 2.874 20 5 GFBDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000420728824 563279807 /nfs/dbraw/zinc/27/98/07/563279807.db2.gz PYCBVQZODNYIRL-GHMZBOCLSA-N -1 3 382.360 2.850 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)c1 ZINC000282786926 563424066 /nfs/dbraw/zinc/42/40/66/563424066.db2.gz PWAGHCMMMIEZGB-LBPRGKRZSA-N -1 3 384.845 2.646 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c1 ZINC000330753827 563519512 /nfs/dbraw/zinc/51/95/12/563519512.db2.gz DQZSSOHGJNJSOP-GFCCVEGCSA-N -1 3 393.259 2.595 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000365010236 563771017 /nfs/dbraw/zinc/77/10/17/563771017.db2.gz HBAJQFFSXHXMAE-GFCCVEGCSA-N -1 3 383.451 2.724 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000416457734 563831586 /nfs/dbraw/zinc/83/15/86/563831586.db2.gz OSIGASNOLDWIIL-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[N-]S(=O)(=O)c1ccco1 ZINC000445672097 563851845 /nfs/dbraw/zinc/85/18/45/563851845.db2.gz JMXYKKJBRQUSAX-UHFFFAOYSA-N -1 3 379.316 2.597 20 5 GFBDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434315 564333139 /nfs/dbraw/zinc/33/31/39/564333139.db2.gz CWKHBYAQMMXQPB-JQWIXIFHSA-N -1 3 387.483 2.965 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452009810 564381212 /nfs/dbraw/zinc/38/12/12/564381212.db2.gz AMVCORHPWNWBKV-SNVBAGLBSA-N -1 3 382.360 2.709 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(O)CCCC1 ZINC000452052563 564387122 /nfs/dbraw/zinc/38/71/22/564387122.db2.gz MRCOFWJLWFZBNW-UHFFFAOYSA-N -1 3 376.862 2.858 20 5 GFBDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000513145216 564421610 /nfs/dbraw/zinc/42/16/10/564421610.db2.gz YWXDSUJSYKOOSJ-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000481217440 564505595 /nfs/dbraw/zinc/50/55/95/564505595.db2.gz GFWFBGIWWDUZKG-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000486596675 564658118 /nfs/dbraw/zinc/65/81/18/564658118.db2.gz BXKMWVJKSKWXGB-RKDXNWHRSA-N -1 3 387.849 2.919 20 5 GFBDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000490156155 564764892 /nfs/dbraw/zinc/76/48/92/564764892.db2.gz HKRDMJQYZGRJIW-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000490464367 564773410 /nfs/dbraw/zinc/77/34/10/564773410.db2.gz OCLQMDUPZZYYGT-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM CCc1ncc(S(=O)(=O)[N-]CCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000460941947 564785731 /nfs/dbraw/zinc/78/57/31/564785731.db2.gz ZJLCLHZBGBIHQJ-UHFFFAOYSA-N -1 3 384.483 2.703 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CCSCC2)c1 ZINC000500146110 564947096 /nfs/dbraw/zinc/94/70/96/564947096.db2.gz LSJVCEDYJKXCDA-UHFFFAOYSA-N -1 3 395.300 2.779 20 5 GFBDHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467065182 564954021 /nfs/dbraw/zinc/95/40/21/564954021.db2.gz XWXAPMRNWIIFKD-JTQLQIEISA-N -1 3 386.451 2.719 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467070704 564955508 /nfs/dbraw/zinc/95/55/08/564955508.db2.gz PQZOCYWUDISPDM-GFCCVEGCSA-N -1 3 378.472 2.609 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467421100 564963130 /nfs/dbraw/zinc/96/31/30/564963130.db2.gz XIDNJTYDBPVQLK-NSHDSACASA-N -1 3 375.516 2.754 20 5 GFBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000615946827 565181347 /nfs/dbraw/zinc/18/13/47/565181347.db2.gz IVHBSKMDMBQJLT-LBPRGKRZSA-N -1 3 386.861 2.700 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000619484450 565343540 /nfs/dbraw/zinc/34/35/40/565343540.db2.gz YCSYUZXQORGFKB-UHFFFAOYSA-N -1 3 383.451 2.808 20 5 GFBDHM CCSc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccn1 ZINC000619498262 565344904 /nfs/dbraw/zinc/34/49/04/565344904.db2.gz VQIBRMKYZRBHCJ-UHFFFAOYSA-N -1 3 383.451 2.589 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)COc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000594840288 565428304 /nfs/dbraw/zinc/42/83/04/565428304.db2.gz KTUVNGGOSUZFOI-QMMMGPOBSA-N -1 3 392.405 2.989 20 5 GFBDHM C/C=C/C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000599475467 565683181 /nfs/dbraw/zinc/68/31/81/565683181.db2.gz PTGPXEFMXNFQBW-SNAWJCMRSA-N -1 3 379.232 2.529 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C ZINC000603975473 565920691 /nfs/dbraw/zinc/92/06/91/565920691.db2.gz CHRZBWHUKZILKM-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000609495130 566041303 /nfs/dbraw/zinc/04/13/03/566041303.db2.gz YYLAZPIPXLLXTR-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609899327 566058285 /nfs/dbraw/zinc/05/82/85/566058285.db2.gz UKOIEWJONWSQDD-LLVKDONJSA-N -1 3 395.275 2.841 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000611469280 566131731 /nfs/dbraw/zinc/13/17/31/566131731.db2.gz CEIWMRIXESAAAZ-BXKDBHETSA-N -1 3 382.360 2.850 20 5 GFBDHM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613475818 566198709 /nfs/dbraw/zinc/19/87/09/566198709.db2.gz BAYXONXRIXWSMX-GFCCVEGCSA-N -1 3 384.435 2.775 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738318118 598828421 /nfs/dbraw/zinc/82/84/21/598828421.db2.gz JCOKIEFLRMHLMP-MDWZMJQESA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000738318118 598828422 /nfs/dbraw/zinc/82/84/22/598828422.db2.gz JCOKIEFLRMHLMP-MDWZMJQESA-N -1 3 396.750 2.773 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736168806 598859010 /nfs/dbraw/zinc/85/90/10/598859010.db2.gz KDVWGMKVJUXXBM-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736170327 598892160 /nfs/dbraw/zinc/89/21/60/598892160.db2.gz PFNGFHNUYJOFKN-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM CCc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c([N+](=O)[O-])c1 ZINC000736690229 598939631 /nfs/dbraw/zinc/93/96/31/598939631.db2.gz HQRRTEUTVCUBPE-UHFFFAOYSA-N -1 3 385.380 2.804 20 5 GFBDHM CCc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c([N+](=O)[O-])c1 ZINC000736690229 598939632 /nfs/dbraw/zinc/93/96/32/598939632.db2.gz HQRRTEUTVCUBPE-UHFFFAOYSA-N -1 3 385.380 2.804 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735625348 598943679 /nfs/dbraw/zinc/94/36/79/598943679.db2.gz DLGMAZUZSVUKRG-LLVKDONJSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735625348 598943681 /nfs/dbraw/zinc/94/36/81/598943681.db2.gz DLGMAZUZSVUKRG-LLVKDONJSA-N -1 3 389.416 2.586 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(CCOCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645496 599044756 /nfs/dbraw/zinc/04/47/56/599044756.db2.gz RJLUSVOIQBJJCL-UHFFFAOYSA-N -1 3 395.423 2.720 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCCC4(CCOCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645496 599044759 /nfs/dbraw/zinc/04/47/59/599044759.db2.gz RJLUSVOIQBJJCL-UHFFFAOYSA-N -1 3 395.423 2.720 20 5 GFBDHM CCc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736690274 599157258 /nfs/dbraw/zinc/15/72/58/599157258.db2.gz IIRIWWYUSGXSNL-NSHDSACASA-N -1 3 383.364 2.710 20 5 GFBDHM CCc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736690274 599157259 /nfs/dbraw/zinc/15/72/59/599157259.db2.gz IIRIWWYUSGXSNL-NSHDSACASA-N -1 3 383.364 2.710 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000737369019 599161765 /nfs/dbraw/zinc/16/17/65/599161765.db2.gz POTJMRURQHFNJN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000737369019 599161767 /nfs/dbraw/zinc/16/17/67/599161767.db2.gz POTJMRURQHFNJN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1F ZINC000738366091 599165781 /nfs/dbraw/zinc/16/57/81/599165781.db2.gz BVTKHMLBKOCBNQ-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1F ZINC000738366091 599165784 /nfs/dbraw/zinc/16/57/84/599165784.db2.gz BVTKHMLBKOCBNQ-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM CN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821609737 599221013 /nfs/dbraw/zinc/22/10/13/599221013.db2.gz JTUZGGOTXNDMHI-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821609737 599221015 /nfs/dbraw/zinc/22/10/15/599221015.db2.gz JTUZGGOTXNDMHI-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821845502 599235993 /nfs/dbraw/zinc/23/59/93/599235993.db2.gz HECMVWRNKPSBIF-SNVBAGLBSA-N -1 3 383.368 2.666 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821845502 599235996 /nfs/dbraw/zinc/23/59/96/599235996.db2.gz HECMVWRNKPSBIF-SNVBAGLBSA-N -1 3 383.368 2.666 20 5 GFBDHM Cc1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000737260991 599267344 /nfs/dbraw/zinc/26/73/44/599267344.db2.gz BCVHLXFFOQLLKF-INIZCTEOSA-N -1 3 392.379 2.961 20 5 GFBDHM Cc1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC000737260991 599267346 /nfs/dbraw/zinc/26/73/46/599267346.db2.gz BCVHLXFFOQLLKF-INIZCTEOSA-N -1 3 392.379 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3cccc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000738367367 599273912 /nfs/dbraw/zinc/27/39/12/599273912.db2.gz RZKLFQHVUHMXBV-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3cccc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000738367367 599273915 /nfs/dbraw/zinc/27/39/15/599273915.db2.gz RZKLFQHVUHMXBV-UHFFFAOYSA-N -1 3 395.354 2.953 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738236743 598290257 /nfs/dbraw/zinc/29/02/57/598290257.db2.gz RYWNOEBYZZBBBZ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738236743 598290259 /nfs/dbraw/zinc/29/02/59/598290259.db2.gz RYWNOEBYZZBBBZ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738221251 598431988 /nfs/dbraw/zinc/43/19/88/598431988.db2.gz FERYQIGZOYUHID-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738221251 598431989 /nfs/dbraw/zinc/43/19/89/598431989.db2.gz FERYQIGZOYUHID-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000738145408 598547297 /nfs/dbraw/zinc/54/72/97/598547297.db2.gz KKKBLWBSNGQJKA-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000738145408 598547298 /nfs/dbraw/zinc/54/72/98/598547298.db2.gz KKKBLWBSNGQJKA-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM Cc1c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737220027 598576370 /nfs/dbraw/zinc/57/63/70/598576370.db2.gz VBCKWEAZSRFHKU-QGZVFWFLSA-N -1 3 393.407 2.691 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000738370613 598630168 /nfs/dbraw/zinc/63/01/68/598630168.db2.gz WYIFFTRCNLFCIX-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000738370613 598630169 /nfs/dbraw/zinc/63/01/69/598630169.db2.gz WYIFFTRCNLFCIX-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1SC ZINC000484807641 598646634 /nfs/dbraw/zinc/64/66/34/598646634.db2.gz OSXCJIWBPXKZFS-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1SC ZINC000484807641 598646636 /nfs/dbraw/zinc/64/66/36/598646636.db2.gz OSXCJIWBPXKZFS-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)N1Cc2ccccc2C1 ZINC000737842883 598682541 /nfs/dbraw/zinc/68/25/41/598682541.db2.gz XVNLZTHMAMLIDB-UHFFFAOYSA-N -1 3 393.407 2.509 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)N1Cc2ccccc2C1 ZINC000737842883 598682543 /nfs/dbraw/zinc/68/25/43/598682543.db2.gz XVNLZTHMAMLIDB-UHFFFAOYSA-N -1 3 393.407 2.509 20 5 GFBDHM CSc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737192401 598701531 /nfs/dbraw/zinc/70/15/31/598701531.db2.gz IXMYDRDDSJFUHQ-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737192401 598701532 /nfs/dbraw/zinc/70/15/32/598701532.db2.gz IXMYDRDDSJFUHQ-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737986111 598711519 /nfs/dbraw/zinc/71/15/19/598711519.db2.gz BYVJHGKVRCCSQI-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737986111 598711520 /nfs/dbraw/zinc/71/15/20/598711520.db2.gz BYVJHGKVRCCSQI-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM C[C@@H](c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000736200088 598796628 /nfs/dbraw/zinc/79/66/28/598796628.db2.gz RMDRJRBBMHBFNZ-ZDUSSCGKSA-N -1 3 395.423 2.912 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737799353 599374789 /nfs/dbraw/zinc/37/47/89/599374789.db2.gz NUFQCJDFEXURGX-CSKARUKUSA-N -1 3 376.376 2.768 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737799353 599374792 /nfs/dbraw/zinc/37/47/92/599374792.db2.gz NUFQCJDFEXURGX-CSKARUKUSA-N -1 3 376.376 2.768 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821983246 599538153 /nfs/dbraw/zinc/53/81/53/599538153.db2.gz FDCKROZLCAQJCX-JTQLQIEISA-N -1 3 384.421 2.988 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821983246 599538156 /nfs/dbraw/zinc/53/81/56/599538156.db2.gz FDCKROZLCAQJCX-JTQLQIEISA-N -1 3 384.421 2.988 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000820467307 599568542 /nfs/dbraw/zinc/56/85/42/599568542.db2.gz DILKICIRFZQDJO-QGZVFWFLSA-N -1 3 397.420 2.704 20 5 GFBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000820467307 599568543 /nfs/dbraw/zinc/56/85/43/599568543.db2.gz DILKICIRFZQDJO-QGZVFWFLSA-N -1 3 397.420 2.704 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821745406 607409617 /nfs/dbraw/zinc/40/96/17/607409617.db2.gz UUGZVOLDSDEJFB-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821745406 607409618 /nfs/dbraw/zinc/40/96/18/607409618.db2.gz UUGZVOLDSDEJFB-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821741986 607410780 /nfs/dbraw/zinc/41/07/80/607410780.db2.gz WNVWRAODAURSCX-RUDMXATFSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821741986 607410781 /nfs/dbraw/zinc/41/07/81/607410781.db2.gz WNVWRAODAURSCX-RUDMXATFSA-N -1 3 381.348 2.540 20 5 GFBDHM O=C([O-])CCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCOCC1 ZINC000833235853 600720837 /nfs/dbraw/zinc/72/08/37/600720837.db2.gz HLMJIRRELOKARU-UHFFFAOYSA-N -1 3 381.410 2.785 20 5 GFBDHM Cc1nn(-c2ccccc2)c(CSc2ccc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000822486657 607466971 /nfs/dbraw/zinc/46/69/71/607466971.db2.gz RMZCVUCFOATAFS-UHFFFAOYSA-N -1 3 394.420 2.956 20 5 GFBDHM C[C@@H]1CN(CCCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828451626 601591738 /nfs/dbraw/zinc/59/17/38/601591738.db2.gz VCZYANRNKRVAJS-WVOQPWCKSA-N -1 3 377.441 2.994 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ncccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826498993 607564054 /nfs/dbraw/zinc/56/40/54/607564054.db2.gz RFUCXXMPGSAKMP-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ncccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826498993 607564055 /nfs/dbraw/zinc/56/40/55/607564055.db2.gz RFUCXXMPGSAKMP-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499836 607682006 /nfs/dbraw/zinc/68/20/06/607682006.db2.gz ZPTPESNLZJOTQG-STQMWFEESA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499836 607682009 /nfs/dbraw/zinc/68/20/09/607682009.db2.gz ZPTPESNLZJOTQG-STQMWFEESA-N -1 3 395.423 2.576 20 5 GFBDHM C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CN1C1CC1 ZINC000833595861 605022011 /nfs/dbraw/zinc/02/20/11/605022011.db2.gz ARUKQBRABKMSLW-NWDGAFQWSA-N -1 3 393.465 2.517 20 5 GFBDHM CCOc1cc(Cl)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825615767 607736339 /nfs/dbraw/zinc/73/63/39/607736339.db2.gz JXMWVIPBDXNKCM-UHFFFAOYSA-N -1 3 375.776 2.834 20 5 GFBDHM CCOc1cc(Cl)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825615767 607736340 /nfs/dbraw/zinc/73/63/40/607736340.db2.gz JXMWVIPBDXNKCM-UHFFFAOYSA-N -1 3 375.776 2.834 20 5 GFBDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000833412971 605180115 /nfs/dbraw/zinc/18/01/15/605180115.db2.gz MQQWEWAYCSPPGX-IBGZPJMESA-N -1 3 397.431 2.926 20 5 GFBDHM Cc1ccccc1[C@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822350465 606139475 /nfs/dbraw/zinc/13/94/75/606139475.db2.gz DHFMSPIKWLDHIR-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccccc1[C@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822350465 606139477 /nfs/dbraw/zinc/13/94/77/606139477.db2.gz DHFMSPIKWLDHIR-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822236054 606218513 /nfs/dbraw/zinc/21/85/13/606218513.db2.gz HZJKEIZPJJGIOC-UHFFFAOYSA-N -1 3 376.380 2.681 20 5 GFBDHM Cc1ccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822236054 606218514 /nfs/dbraw/zinc/21/85/14/606218514.db2.gz HZJKEIZPJJGIOC-UHFFFAOYSA-N -1 3 376.380 2.681 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1nccn1CCc1ccccc1 ZINC000823629744 606233217 /nfs/dbraw/zinc/23/32/17/606233217.db2.gz GFTNWYDXTVQQTM-UHFFFAOYSA-N -1 3 390.407 2.826 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1nccn1CCc1ccccc1 ZINC000823629744 606233220 /nfs/dbraw/zinc/23/32/20/606233220.db2.gz GFTNWYDXTVQQTM-UHFFFAOYSA-N -1 3 390.407 2.826 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000821123355 606282932 /nfs/dbraw/zinc/28/29/32/606282932.db2.gz PQJHPEPQXSVGIY-UHFFFAOYSA-N -1 3 385.359 2.988 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821607635 606489005 /nfs/dbraw/zinc/48/90/05/606489005.db2.gz XKNUAGCEVWYEIP-UHFFFAOYSA-N -1 3 378.801 2.762 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821607635 606489006 /nfs/dbraw/zinc/48/90/06/606489006.db2.gz XKNUAGCEVWYEIP-UHFFFAOYSA-N -1 3 378.801 2.762 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000822203534 606561028 /nfs/dbraw/zinc/56/10/28/606561028.db2.gz YIMPCCLJUXGEBX-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000822203534 606561030 /nfs/dbraw/zinc/56/10/30/606561030.db2.gz YIMPCCLJUXGEBX-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM CC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920268 606600225 /nfs/dbraw/zinc/60/02/25/606600225.db2.gz OLXNYPLEZZKYOV-INIZCTEOSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920268 606600226 /nfs/dbraw/zinc/60/02/26/606600226.db2.gz OLXNYPLEZZKYOV-INIZCTEOSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920269 606600308 /nfs/dbraw/zinc/60/03/08/606600308.db2.gz OLXNYPLEZZKYOV-MRXNPFEDSA-N -1 3 381.396 2.725 20 5 GFBDHM CC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920269 606600310 /nfs/dbraw/zinc/60/03/10/606600310.db2.gz OLXNYPLEZZKYOV-MRXNPFEDSA-N -1 3 381.396 2.725 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823242275 606834900 /nfs/dbraw/zinc/83/49/00/606834900.db2.gz SRINEDWPRDVTPJ-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823242275 606834901 /nfs/dbraw/zinc/83/49/01/606834901.db2.gz SRINEDWPRDVTPJ-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(c2nc3ccccc3s2)C1 ZINC000823629637 607019327 /nfs/dbraw/zinc/01/93/27/607019327.db2.gz CRRXZMVWAPNFHC-UHFFFAOYSA-N -1 3 379.405 2.988 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(c2nc3ccccc3s2)C1 ZINC000823629637 607019328 /nfs/dbraw/zinc/01/93/28/607019328.db2.gz CRRXZMVWAPNFHC-UHFFFAOYSA-N -1 3 379.405 2.988 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823414324 607084952 /nfs/dbraw/zinc/08/49/52/607084952.db2.gz UJVVCVOBXKEFTO-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823414324 607084954 /nfs/dbraw/zinc/08/49/54/607084954.db2.gz UJVVCVOBXKEFTO-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826497647 607873482 /nfs/dbraw/zinc/87/34/82/607873482.db2.gz OLDSZDGZMZCYQI-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000826497647 607873483 /nfs/dbraw/zinc/87/34/83/607873483.db2.gz OLDSZDGZMZCYQI-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM Cc1ccc(C)c(OC[C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C ZINC000826285013 607876389 /nfs/dbraw/zinc/87/63/89/607876389.db2.gz NLDHJAPMVFXPRQ-CQSZACIVSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1ccc(C)c(OC[C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C ZINC000826285013 607876390 /nfs/dbraw/zinc/87/63/90/607876390.db2.gz NLDHJAPMVFXPRQ-CQSZACIVSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1nc(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000826325341 608160278 /nfs/dbraw/zinc/16/02/78/608160278.db2.gz USUBLBNCHGRKOR-UHFFFAOYSA-N -1 3 393.816 2.765 20 5 GFBDHM Cc1nc(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000826325341 608160279 /nfs/dbraw/zinc/16/02/79/608160279.db2.gz USUBLBNCHGRKOR-UHFFFAOYSA-N -1 3 393.816 2.765 20 5 GFBDHM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928098 608161244 /nfs/dbraw/zinc/16/12/44/608161244.db2.gz RCXWTRVKUYDQCJ-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928098 608161246 /nfs/dbraw/zinc/16/12/46/608161246.db2.gz RCXWTRVKUYDQCJ-ONGXEEELSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)n1cccc1 ZINC000824384979 608163089 /nfs/dbraw/zinc/16/30/89/608163089.db2.gz JAVZOHRCZDXQLH-VIFPVBQESA-N -1 3 375.776 2.820 20 5 GFBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)n1cccc1 ZINC000824384979 608163091 /nfs/dbraw/zinc/16/30/91/608163091.db2.gz JAVZOHRCZDXQLH-VIFPVBQESA-N -1 3 375.776 2.820 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000825793137 608180850 /nfs/dbraw/zinc/18/08/50/608180850.db2.gz NJHXWFRFFFNQFE-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000825793137 608180852 /nfs/dbraw/zinc/18/08/52/608180852.db2.gz NJHXWFRFFFNQFE-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826497943 608442223 /nfs/dbraw/zinc/44/22/23/608442223.db2.gz ABGGUOOTKHBWSV-UHFFFAOYSA-N -1 3 393.363 2.977 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826497943 608442224 /nfs/dbraw/zinc/44/22/24/608442224.db2.gz ABGGUOOTKHBWSV-UHFFFAOYSA-N -1 3 393.363 2.977 20 5 GFBDHM CCOc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000825638277 608555412 /nfs/dbraw/zinc/55/54/12/608555412.db2.gz IUIZZQDQUXODKJ-UHFFFAOYSA-N -1 3 393.407 2.862 20 5 GFBDHM CCOc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000825638277 608555413 /nfs/dbraw/zinc/55/54/13/608555413.db2.gz IUIZZQDQUXODKJ-UHFFFAOYSA-N -1 3 393.407 2.862 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826272288 609163643 /nfs/dbraw/zinc/16/36/43/609163643.db2.gz CDKNCBXLVSCALX-UHFFFAOYSA-N -1 3 397.391 2.638 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826272288 609163645 /nfs/dbraw/zinc/16/36/45/609163645.db2.gz CDKNCBXLVSCALX-UHFFFAOYSA-N -1 3 397.391 2.638 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nnn[n-]2)c1 ZINC000826500509 609172657 /nfs/dbraw/zinc/17/26/57/609172657.db2.gz AJHMOKZLRNQBJR-OAHLLOKOSA-N -1 3 395.427 2.971 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nn[n-]n2)c1 ZINC000826500509 609172659 /nfs/dbraw/zinc/17/26/59/609172659.db2.gz AJHMOKZLRNQBJR-OAHLLOKOSA-N -1 3 395.427 2.971 20 5 GFBDHM O=[N+]([O-])c1cc2c(cc1CNc1ccc(Cl)c(-c3nnn[n-]3)c1)OCCO2 ZINC000826498010 609200056 /nfs/dbraw/zinc/20/00/56/609200056.db2.gz CXOOVWZWYRYPJP-UHFFFAOYSA-N -1 3 388.771 2.812 20 5 GFBDHM O=[N+]([O-])c1cc2c(cc1CNc1ccc(Cl)c(-c3nn[n-]n3)c1)OCCO2 ZINC000826498010 609200057 /nfs/dbraw/zinc/20/00/57/609200057.db2.gz CXOOVWZWYRYPJP-UHFFFAOYSA-N -1 3 388.771 2.812 20 5 GFBDHM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000832136204 660757225 /nfs/dbraw/zinc/75/72/25/660757225.db2.gz NLAPWIGGOQRKKZ-UHFFFAOYSA-N -1 3 385.423 2.968 20 5 GFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837195575 660976605 /nfs/dbraw/zinc/97/66/05/660976605.db2.gz RIRSSIMJGFOFEF-UHFFFAOYSA-N -1 3 384.165 2.677 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127827098 654835203 /nfs/dbraw/zinc/83/52/03/654835203.db2.gz AHFLAUMKAXZLSY-BXUZGUMPSA-N -1 3 376.862 2.858 20 5 GFBDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000102413253 655054910 /nfs/dbraw/zinc/05/49/10/655054910.db2.gz ZSZRVBAONPCKPA-UHFFFAOYSA-N -1 3 375.859 2.788 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccsc2)c1 ZINC000173030260 655162156 /nfs/dbraw/zinc/16/21/56/655162156.db2.gz JXKDDBYSHOPTKM-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318559 655612135 /nfs/dbraw/zinc/61/21/35/655612135.db2.gz AAIXZFHLBIVVGA-ZDUSSCGKSA-N -1 3 375.878 2.791 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2Cl)c(F)c1 ZINC000751440511 655827598 /nfs/dbraw/zinc/82/75/98/655827598.db2.gz GVESEWYDGDOFSH-GFCCVEGCSA-N -1 3 392.767 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000757349540 655910927 /nfs/dbraw/zinc/91/09/27/655910927.db2.gz UCLLQHIZRJQPBL-UHFFFAOYSA-N -1 3 377.787 2.696 20 5 GFBDHM Cc1nc(C)c(CC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000773391130 656442929 /nfs/dbraw/zinc/44/29/29/656442929.db2.gz ATOCRKADPPNENQ-UHFFFAOYSA-N -1 3 396.197 2.756 20 5 GFBDHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829405 658855798 /nfs/dbraw/zinc/85/57/98/658855798.db2.gz PKKVSFPCYSFNLH-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000798225678 659084803 /nfs/dbraw/zinc/08/48/03/659084803.db2.gz GXDDAMBRIXLSKP-GHMZBOCLSA-N -1 3 393.868 2.786 20 5 GFBDHM Cc1nn(C)c(Br)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000800823942 659333167 /nfs/dbraw/zinc/33/31/67/659333167.db2.gz SEBHVMOBOYXDQP-UHFFFAOYSA-N -1 3 375.129 2.930 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000809395115 659926689 /nfs/dbraw/zinc/92/66/89/659926689.db2.gz HXRQFQJKDGUNQU-IUCAKERBSA-N -1 3 394.280 2.805 20 5 GFBDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000817147453 660183703 /nfs/dbraw/zinc/18/37/03/660183703.db2.gz ZTTLXLVKRJCXCL-KOLCDFICSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CS1 ZINC000841557827 661300254 /nfs/dbraw/zinc/30/02/54/661300254.db2.gz HCOSKLDOWXZRMI-JGVFFNPUSA-N -1 3 381.273 2.530 20 5 GFBDHM CCCN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821758 661834953 /nfs/dbraw/zinc/83/49/53/661834953.db2.gz ZGEFZJSQNSYZSG-VIFPVBQESA-N -1 3 382.269 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1 ZINC000856747589 662040980 /nfs/dbraw/zinc/04/09/80/662040980.db2.gz UAFYOSZHRFATGN-SSDOTTSWSA-N -1 3 385.186 2.681 20 5 GFBDHM CSC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000433352082 563610686 /nfs/dbraw/zinc/61/06/86/563610686.db2.gz IKAMWDQGKOEVLA-UHFFFAOYSA-N -1 3 395.300 2.921 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000010756995 551105910 /nfs/dbraw/zinc/10/59/10/551105910.db2.gz ABMZUKYDBPLZER-UHFFFAOYSA-N -1 3 376.312 2.972 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(F)cc(Br)c1 ZINC000056139733 551177383 /nfs/dbraw/zinc/17/73/83/551177383.db2.gz RWKZKWADRVYDKH-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163392988 551619417 /nfs/dbraw/zinc/61/94/17/551619417.db2.gz DDQNIGQDKUOYPG-RYUDHWBXSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCSCC2)ccc1Br ZINC000178323416 552169134 /nfs/dbraw/zinc/16/91/34/552169134.db2.gz IJOVATMDIXUNBV-UHFFFAOYSA-N -1 3 381.273 2.531 20 5 GFBDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000180621624 552231225 /nfs/dbraw/zinc/23/12/25/552231225.db2.gz WCZWSTJRKHUCBR-UHFFFAOYSA-N -1 3 395.213 2.629 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[n-]1 ZINC000183275908 552304957 /nfs/dbraw/zinc/30/49/57/552304957.db2.gz PNKFBSOOESMTJT-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)[n-]n1 ZINC000183275908 552304958 /nfs/dbraw/zinc/30/49/58/552304958.db2.gz PNKFBSOOESMTJT-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000185972842 552375708 /nfs/dbraw/zinc/37/57/08/552375708.db2.gz LSMMDCICOCDCOL-UHFFFAOYSA-N -1 3 387.211 2.541 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246574321 553109873 /nfs/dbraw/zinc/10/98/73/553109873.db2.gz IIYPMWFMUIHBEJ-YHBNFXLMSA-N -1 3 394.902 2.606 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371339022 563273220 /nfs/dbraw/zinc/27/32/20/563273220.db2.gz LKKACFUCRIECJR-UHFFFAOYSA-N -1 3 384.845 2.568 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)ccc1Cl ZINC000280192516 563326655 /nfs/dbraw/zinc/32/66/55/563326655.db2.gz DGJPAJLHSPSJHJ-SECBINFHSA-N -1 3 386.817 2.666 20 5 GFBDHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000301431758 563403581 /nfs/dbraw/zinc/40/35/81/563403581.db2.gz GZZVREZDFUATCY-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM Cc1nccn1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000283456105 563445411 /nfs/dbraw/zinc/44/54/11/563445411.db2.gz FIRMYLVMUCNKIE-UHFFFAOYSA-N -1 3 393.252 2.775 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000378289524 563502213 /nfs/dbraw/zinc/50/22/13/563502213.db2.gz LGYMLYGEGJVQLL-UHFFFAOYSA-N -1 3 384.845 2.568 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000416467862 563833462 /nfs/dbraw/zinc/83/34/62/563833462.db2.gz CXDPBJYBGOMZPJ-LBPRGKRZSA-N -1 3 384.376 2.687 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCOCC2)c(C(F)(F)F)c1 ZINC000447016332 563872497 /nfs/dbraw/zinc/87/24/97/563872497.db2.gz JIGPKKZTBPUFCQ-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824839 564356237 /nfs/dbraw/zinc/35/62/37/564356237.db2.gz PPPRHLGUANSLEA-SMDDNHRTSA-N -1 3 376.862 2.978 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511299243 564366543 /nfs/dbraw/zinc/36/65/43/564366543.db2.gz BVMJWZDCWDXYPF-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(O)CCCC1 ZINC000452054484 564386581 /nfs/dbraw/zinc/38/65/81/564386581.db2.gz RBUWHHPDAMSZIV-UHFFFAOYSA-N -1 3 376.862 2.858 20 5 GFBDHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000512925510 564416150 /nfs/dbraw/zinc/41/61/50/564416150.db2.gz IOMYAXOITOEQRK-CQSZACIVSA-N -1 3 383.495 2.800 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)c1 ZINC000460290776 564773279 /nfs/dbraw/zinc/77/32/79/564773279.db2.gz VFEHRQMMXZBCCK-UHFFFAOYSA-N -1 3 384.797 2.913 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000499640385 564932599 /nfs/dbraw/zinc/93/25/99/564932599.db2.gz GRFZVLUUWDJBPJ-SECBINFHSA-N -1 3 382.360 2.846 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000467064351 564954003 /nfs/dbraw/zinc/95/40/03/564954003.db2.gz VRLCBFUEGOGXSZ-UHFFFAOYSA-N -1 3 382.419 2.661 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@@](C)=O)cc1 ZINC000533701938 564970928 /nfs/dbraw/zinc/97/09/28/564970928.db2.gz PLIFOUAHFMMTRV-VKTRGTBVSA-N -1 3 386.426 2.511 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC[C@H](C)F)cc(Br)c(C)c1[N+](=O)[O-] ZINC000562630821 565036856 /nfs/dbraw/zinc/03/68/56/565036856.db2.gz WHFKZTXROGBLRT-ZETCQYMHSA-N -1 3 399.238 2.701 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000594778622 565419913 /nfs/dbraw/zinc/41/99/13/565419913.db2.gz MTTFITAHDZVPQJ-UHFFFAOYSA-N -1 3 375.328 2.762 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000603042786 565882301 /nfs/dbraw/zinc/88/23/01/565882301.db2.gz HHRJAKIUTRVHBR-UHFFFAOYSA-N -1 3 396.245 2.955 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000737033606 598938889 /nfs/dbraw/zinc/93/88/89/598938889.db2.gz ZAHFQBXIZISIEH-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000737033606 598938891 /nfs/dbraw/zinc/93/88/91/598938891.db2.gz ZAHFQBXIZISIEH-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM CN(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757409 599058550 /nfs/dbraw/zinc/05/85/50/599058550.db2.gz AFQZLLBTZWTOKW-HNNXBMFYSA-N -1 3 389.366 2.768 20 5 GFBDHM CN(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757409 599058555 /nfs/dbraw/zinc/05/85/55/599058555.db2.gz AFQZLLBTZWTOKW-HNNXBMFYSA-N -1 3 389.366 2.768 20 5 GFBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737899580 599186863 /nfs/dbraw/zinc/18/68/63/599186863.db2.gz SRVPTICEYAWNCE-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821845498 599236106 /nfs/dbraw/zinc/23/61/06/599236106.db2.gz HECMVWRNKPSBIF-JTQLQIEISA-N -1 3 383.368 2.666 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821845498 599236108 /nfs/dbraw/zinc/23/61/08/599236108.db2.gz HECMVWRNKPSBIF-JTQLQIEISA-N -1 3 383.368 2.666 20 5 GFBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823031425 607328079 /nfs/dbraw/zinc/32/80/79/607328079.db2.gz AOMJPISHSLHBDW-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823031425 607328080 /nfs/dbraw/zinc/32/80/80/607328080.db2.gz AOMJPISHSLHBDW-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000736170034 598272416 /nfs/dbraw/zinc/27/24/16/598272416.db2.gz QRPSGNFRKAXOJM-RYUDHWBXSA-N -1 3 383.364 2.847 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000738374941 598389015 /nfs/dbraw/zinc/38/90/15/598389015.db2.gz ULPQTJSJFWIOQA-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000738374941 598389017 /nfs/dbraw/zinc/38/90/17/598389017.db2.gz ULPQTJSJFWIOQA-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735625915 598468613 /nfs/dbraw/zinc/46/86/13/598468613.db2.gz HRCYXTMVUOXXBQ-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735625915 598468614 /nfs/dbraw/zinc/46/86/14/598468614.db2.gz HRCYXTMVUOXXBQ-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OCC(F)F ZINC000737362759 598500778 /nfs/dbraw/zinc/50/07/78/598500778.db2.gz UXQJVVHQAGUDOL-UHFFFAOYSA-N -1 3 377.311 2.866 20 5 GFBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737362759 598500779 /nfs/dbraw/zinc/50/07/79/598500779.db2.gz UXQJVVHQAGUDOL-UHFFFAOYSA-N -1 3 377.311 2.866 20 5 GFBDHM Cc1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)sc1C ZINC000737474407 598501272 /nfs/dbraw/zinc/50/12/72/598501272.db2.gz NUVUFPMELKSSPM-LLVKDONJSA-N -1 3 386.441 2.627 20 5 GFBDHM Cc1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)sc1C ZINC000737474407 598501273 /nfs/dbraw/zinc/50/12/73/598501273.db2.gz NUVUFPMELKSSPM-LLVKDONJSA-N -1 3 386.441 2.627 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000738359380 598504361 /nfs/dbraw/zinc/50/43/61/598504361.db2.gz QHEZTLMKGNHFDQ-SFHVURJKSA-N -1 3 398.398 2.864 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000738359380 598504362 /nfs/dbraw/zinc/50/43/62/598504362.db2.gz QHEZTLMKGNHFDQ-SFHVURJKSA-N -1 3 398.398 2.864 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000738145388 598545891 /nfs/dbraw/zinc/54/58/91/598545891.db2.gz JIMGCSWCCPGZKK-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000738145388 598545893 /nfs/dbraw/zinc/54/58/93/598545893.db2.gz JIMGCSWCCPGZKK-UHFFFAOYSA-N -1 3 382.308 2.690 20 5 GFBDHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737355540 598576251 /nfs/dbraw/zinc/57/62/51/598576251.db2.gz HKRSWPIVUHYGLX-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000737946876 598657993 /nfs/dbraw/zinc/65/79/93/598657993.db2.gz IAKSCWZVEABGQP-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000737946876 598657995 /nfs/dbraw/zinc/65/79/95/598657995.db2.gz IAKSCWZVEABGQP-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000737295478 598720107 /nfs/dbraw/zinc/72/01/07/598720107.db2.gz YAEJNULKYIBWHZ-UHFFFAOYSA-N -1 3 391.347 2.589 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000737295478 598720109 /nfs/dbraw/zinc/72/01/09/598720109.db2.gz YAEJNULKYIBWHZ-UHFFFAOYSA-N -1 3 391.347 2.589 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736299155 598735735 /nfs/dbraw/zinc/73/57/35/598735735.db2.gz SKAZMCSCGMRQKT-GFCCVEGCSA-N -1 3 378.392 2.685 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736299155 598735737 /nfs/dbraw/zinc/73/57/37/598735737.db2.gz SKAZMCSCGMRQKT-GFCCVEGCSA-N -1 3 378.392 2.685 20 5 GFBDHM Cn1c(-c2ccccc2)cnc1Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822590194 599316858 /nfs/dbraw/zinc/31/68/58/599316858.db2.gz JSOLBIKAMFKYNZ-UHFFFAOYSA-N -1 3 380.393 2.722 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCNc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738375379 599325416 /nfs/dbraw/zinc/32/54/16/599325416.db2.gz ZUDYTXMHLWTCSI-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCNc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738375379 599325419 /nfs/dbraw/zinc/32/54/19/599325419.db2.gz ZUDYTXMHLWTCSI-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826428022 607416767 /nfs/dbraw/zinc/41/67/67/607416767.db2.gz LQYDPYORHFUIRN-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826428022 607416769 /nfs/dbraw/zinc/41/67/69/607416769.db2.gz LQYDPYORHFUIRN-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM COc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826219539 607522729 /nfs/dbraw/zinc/52/27/29/607522729.db2.gz GSIJZUZERWHTIE-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826219539 607522730 /nfs/dbraw/zinc/52/27/30/607522730.db2.gz GSIJZUZERWHTIE-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830524414 602401157 /nfs/dbraw/zinc/40/11/57/602401157.db2.gz XROAZQAYTBJHLV-QGZVFWFLSA-N -1 3 383.404 2.640 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740174736 602432613 /nfs/dbraw/zinc/43/26/13/602432613.db2.gz LENXDGOXKTYVHY-FZKQIMNGSA-N -1 3 378.429 2.648 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nnn[n-]1 ZINC000826205792 607603831 /nfs/dbraw/zinc/60/38/31/607603831.db2.gz MZTRUOSIAGIJQZ-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nn[n-]n1 ZINC000826205792 607603832 /nfs/dbraw/zinc/60/38/32/607603832.db2.gz MZTRUOSIAGIJQZ-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000834179232 605328380 /nfs/dbraw/zinc/32/83/80/605328380.db2.gz GWDNSLNHBFBWFO-FHLIZLRMSA-N -1 3 385.424 2.784 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228808 606448908 /nfs/dbraw/zinc/44/89/08/606448908.db2.gz GBALGRHZKKBSPU-OLZOCXBDSA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228808 606448910 /nfs/dbraw/zinc/44/89/10/606448910.db2.gz GBALGRHZKKBSPU-OLZOCXBDSA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822271196 607026295 /nfs/dbraw/zinc/02/62/95/607026295.db2.gz QBSDAKKZJMWREJ-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822271196 607026296 /nfs/dbraw/zinc/02/62/96/607026296.db2.gz QBSDAKKZJMWREJ-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823418729 607078427 /nfs/dbraw/zinc/07/84/27/607078427.db2.gz VWAGDSXCDJNCCH-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823418729 607078428 /nfs/dbraw/zinc/07/84/28/607078428.db2.gz VWAGDSXCDJNCCH-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000820004772 607080367 /nfs/dbraw/zinc/08/03/67/607080367.db2.gz BLOFODWWYBSRIY-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000820004772 607080368 /nfs/dbraw/zinc/08/03/68/607080368.db2.gz BLOFODWWYBSRIY-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826454313 607961215 /nfs/dbraw/zinc/96/12/15/607961215.db2.gz RRCJQISTWSGJKP-UHFFFAOYSA-N -1 3 383.343 2.504 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826454313 607961216 /nfs/dbraw/zinc/96/12/16/607961216.db2.gz RRCJQISTWSGJKP-UHFFFAOYSA-N -1 3 383.343 2.504 20 5 GFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000824009913 607972886 /nfs/dbraw/zinc/97/28/86/607972886.db2.gz FGSHNESGGFCXIF-UHFFFAOYSA-N -1 3 378.348 2.809 20 5 GFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000824009913 607972887 /nfs/dbraw/zinc/97/28/87/607972887.db2.gz FGSHNESGGFCXIF-UHFFFAOYSA-N -1 3 378.348 2.809 20 5 GFBDHM C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824479613 607986191 /nfs/dbraw/zinc/98/61/91/607986191.db2.gz OSGJQEOMVFENKE-LLVKDONJSA-N -1 3 391.391 2.676 20 5 GFBDHM C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000824479613 607986192 /nfs/dbraw/zinc/98/61/92/607986192.db2.gz OSGJQEOMVFENKE-LLVKDONJSA-N -1 3 391.391 2.676 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC000826477436 608053464 /nfs/dbraw/zinc/05/34/64/608053464.db2.gz DCZVIKSVBSGMQE-CQSZACIVSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC000826477436 608053465 /nfs/dbraw/zinc/05/34/65/608053465.db2.gz DCZVIKSVBSGMQE-CQSZACIVSA-N -1 3 397.370 2.522 20 5 GFBDHM CCO[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576453 608161175 /nfs/dbraw/zinc/16/11/75/608161175.db2.gz HMLWYRHTBIPRMM-GFCCVEGCSA-N -1 3 382.808 2.818 20 5 GFBDHM CCO[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576453 608161178 /nfs/dbraw/zinc/16/11/78/608161178.db2.gz HMLWYRHTBIPRMM-GFCCVEGCSA-N -1 3 382.808 2.818 20 5 GFBDHM C[C@H]1CC[C@H](CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909492 608161397 /nfs/dbraw/zinc/16/13/97/608161397.db2.gz UHDQTQNRQCNBSD-WCBMZHEXSA-N -1 3 380.792 2.715 20 5 GFBDHM C[C@H]1CC[C@H](CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909492 608161399 /nfs/dbraw/zinc/16/13/99/608161399.db2.gz UHDQTQNRQCNBSD-WCBMZHEXSA-N -1 3 380.792 2.715 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1COc2ccccc21 ZINC000826451048 608162540 /nfs/dbraw/zinc/16/25/40/608162540.db2.gz NOIXJZJAAARGIX-JTQLQIEISA-N -1 3 386.755 2.543 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1COc2ccccc21 ZINC000826451048 608162542 /nfs/dbraw/zinc/16/25/42/608162542.db2.gz NOIXJZJAAARGIX-JTQLQIEISA-N -1 3 386.755 2.543 20 5 GFBDHM Cc1ncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329480 608163766 /nfs/dbraw/zinc/16/37/66/608163766.db2.gz FOVUFBJGEKCRBZ-NSCUHMNNSA-N -1 3 391.800 2.845 20 5 GFBDHM Cc1ncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329480 608163767 /nfs/dbraw/zinc/16/37/67/608163767.db2.gz FOVUFBJGEKCRBZ-NSCUHMNNSA-N -1 3 391.800 2.845 20 5 GFBDHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1[N+](=O)[O-] ZINC000826203906 608223901 /nfs/dbraw/zinc/22/39/01/608223901.db2.gz LOJPKWSEXXWLKP-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1[N+](=O)[O-] ZINC000826203906 608223902 /nfs/dbraw/zinc/22/39/02/608223902.db2.gz LOJPKWSEXXWLKP-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000826274054 608291989 /nfs/dbraw/zinc/29/19/89/608291989.db2.gz FNWMALIOKQSLPD-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000826274054 608291990 /nfs/dbraw/zinc/29/19/90/608291990.db2.gz FNWMALIOKQSLPD-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826186165 608294983 /nfs/dbraw/zinc/29/49/83/608294983.db2.gz HSDHMXCSIRZOOV-UHFFFAOYSA-N -1 3 391.347 2.584 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826172507 608346074 /nfs/dbraw/zinc/34/60/74/608346074.db2.gz JXTHPIHHZGQEKD-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826172507 608346076 /nfs/dbraw/zinc/34/60/76/608346076.db2.gz JXTHPIHHZGQEKD-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM CO[C@@H]1[C@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144327 608587627 /nfs/dbraw/zinc/58/76/27/608587627.db2.gz GUOBMITTXZSVML-FWGMWULZSA-N -1 3 383.412 2.795 20 5 GFBDHM CO[C@@H]1[C@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144327 608587630 /nfs/dbraw/zinc/58/76/30/608587630.db2.gz GUOBMITTXZSVML-FWGMWULZSA-N -1 3 383.412 2.795 20 5 GFBDHM C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824473001 609325250 /nfs/dbraw/zinc/32/52/50/609325250.db2.gz YCWLCWYTEIUQMW-JTQLQIEISA-N -1 3 388.334 2.744 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826293215 609465502 /nfs/dbraw/zinc/46/55/02/609465502.db2.gz GCZPAGPAUSZPTK-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826293215 609465503 /nfs/dbraw/zinc/46/55/03/609465503.db2.gz GCZPAGPAUSZPTK-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477753 609575645 /nfs/dbraw/zinc/57/56/45/609575645.db2.gz KOKHTHOSIMAASQ-MRXNPFEDSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477753 609575647 /nfs/dbraw/zinc/57/56/47/609575647.db2.gz KOKHTHOSIMAASQ-MRXNPFEDSA-N -1 3 397.370 2.522 20 5 GFBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828374508 660545509 /nfs/dbraw/zinc/54/55/09/660545509.db2.gz UNKVASZLRFZJRQ-XVKPBYJWSA-N -1 3 381.273 2.530 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000832369275 660775900 /nfs/dbraw/zinc/77/59/00/660775900.db2.gz KQFYYTXIHMFWOX-GFCCVEGCSA-N -1 3 383.253 2.856 20 5 GFBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000029391761 654576963 /nfs/dbraw/zinc/57/69/63/654576963.db2.gz MNQVXLQYCASJHB-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030007901 654581810 /nfs/dbraw/zinc/58/18/10/654581810.db2.gz WUIYGGXTGMYWPB-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000130720918 654891654 /nfs/dbraw/zinc/89/16/54/654891654.db2.gz ATFDQLVNPRMBLV-UHFFFAOYSA-N -1 3 387.776 2.595 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCO1 ZINC000157897365 655103040 /nfs/dbraw/zinc/10/30/40/655103040.db2.gz PUFKGYKULOMAJO-NEPJUHHUSA-N -1 3 393.259 2.593 20 5 GFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117750694 655267841 /nfs/dbraw/zinc/26/78/41/655267841.db2.gz XGHORFXKRCTNEU-UHFFFAOYSA-N -1 3 383.813 2.801 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000177829139 655289594 /nfs/dbraw/zinc/28/95/94/655289594.db2.gz ICFZXAKKWOUPQN-UHFFFAOYSA-N -1 3 387.776 2.595 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1[N+](=O)[O-] ZINC000121389504 655349341 /nfs/dbraw/zinc/34/93/41/655349341.db2.gz SZSYAIQJRINLOP-UHFFFAOYSA-N -1 3 388.199 2.562 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000292677750 655353320 /nfs/dbraw/zinc/35/33/20/655353320.db2.gz BPOPFAGINIUHFY-SNVBAGLBSA-N -1 3 381.357 2.942 20 5 GFBDHM Cc1c(C(=O)[N-]c2sccc2S(C)(=O)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741936663 655709055 /nfs/dbraw/zinc/70/90/55/655709055.db2.gz LKYGXARFPYBXGM-UHFFFAOYSA-N -1 3 385.379 2.529 20 5 GFBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000746668635 655765930 /nfs/dbraw/zinc/76/59/30/655765930.db2.gz DPAKMIFEUBGPEB-WPRPVWTQSA-N -1 3 395.300 2.920 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751394477 655826312 /nfs/dbraw/zinc/82/63/12/655826312.db2.gz VRNNYHVOQPYFRK-RFAUZJTJSA-N -1 3 388.804 2.788 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000759361128 655953502 /nfs/dbraw/zinc/95/35/02/655953502.db2.gz SJJXIEMNGVFPCY-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(=O)[nH]1 ZINC000790405153 657970035 /nfs/dbraw/zinc/97/00/35/657970035.db2.gz VEYALPWTJQZCND-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM CCCCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000798226315 659085321 /nfs/dbraw/zinc/08/53/21/659085321.db2.gz HPTFZEGCQOIRAM-UHFFFAOYSA-N -1 3 393.868 2.930 20 5 GFBDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000803637370 659593733 /nfs/dbraw/zinc/59/37/33/659593733.db2.gz LQVPEVLTPNVJRV-UHFFFAOYSA-N -1 3 383.114 2.618 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)c([N+](=O)[O-])s1 ZINC000867028635 662517885 /nfs/dbraw/zinc/51/78/85/662517885.db2.gz VZEMRPRPNIAYMI-KKZNHRDASA-N -1 3 380.538 2.623 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000921571842 664553904 /nfs/dbraw/zinc/55/39/04/664553904.db2.gz DDHVXYCTLYYXOH-WPRPVWTQSA-N -1 3 388.389 2.743 20 5 GFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C ZINC000026541631 551121949 /nfs/dbraw/zinc/12/19/49/551121949.db2.gz MEHIRMLBFIASEX-UHFFFAOYSA-N -1 3 383.813 2.765 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1csc(Br)c1 ZINC000030444726 551127446 /nfs/dbraw/zinc/12/74/46/551127446.db2.gz TYXPLYWKNNZKBR-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000121569624 551237069 /nfs/dbraw/zinc/23/70/69/551237069.db2.gz XTWGRKNYMGXVIK-UHFFFAOYSA-N -1 3 397.356 2.557 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000130926581 551370510 /nfs/dbraw/zinc/37/05/10/551370510.db2.gz DNBKEJRILATLCK-LBPRGKRZSA-N -1 3 375.878 2.647 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157848816 551543315 /nfs/dbraw/zinc/54/33/15/551543315.db2.gz ADCDWSGIRGXBQN-NWDGAFQWSA-N -1 3 382.360 2.850 20 5 GFBDHM COc1cc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000161022359 551589263 /nfs/dbraw/zinc/58/92/63/551589263.db2.gz OTIFDOJLKMRXII-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC000171414596 551655143 /nfs/dbraw/zinc/65/51/43/551655143.db2.gz VTHMGQFPZUIMPE-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cs1 ZINC000186980660 552403315 /nfs/dbraw/zinc/40/33/15/552403315.db2.gz NMMXXKBVQMJBML-MRVPVSSYSA-N -1 3 389.430 2.801 20 5 GFBDHM Cc1cc(I)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187539390 552418423 /nfs/dbraw/zinc/41/84/23/552418423.db2.gz OFGQZCUMNBMEKT-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM Cc1cnccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188840595 552456493 /nfs/dbraw/zinc/45/64/93/552456493.db2.gz VQLKYOAONYWKHF-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538675 563216520 /nfs/dbraw/zinc/21/65/20/563216520.db2.gz DMFWFSAWDWGKIQ-YGRLFVJLSA-N -1 3 387.508 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN(C3CC3)C2)c1Cl ZINC000295179957 563233201 /nfs/dbraw/zinc/23/32/01/563233201.db2.gz IKPLSNHRFZASFN-SECBINFHSA-N -1 3 394.280 2.664 20 5 GFBDHM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1Br ZINC000414467806 563742774 /nfs/dbraw/zinc/74/27/74/563742774.db2.gz DUJOJXYQMWJWGT-UHFFFAOYSA-N -1 3 389.231 2.806 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000443302486 563799933 /nfs/dbraw/zinc/79/99/33/563799933.db2.gz DNCMUZOMDDASKW-AWEZNQCLSA-N -1 3 376.862 2.858 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000416379346 563819932 /nfs/dbraw/zinc/81/99/32/563819932.db2.gz WNWICLMWRHXCMP-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)C(C)C ZINC000416630539 563855319 /nfs/dbraw/zinc/85/53/19/563855319.db2.gz UHODYLYBKYYJRF-AAEUAGOBSA-N -1 3 384.376 2.687 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c(Cl)c1 ZINC000447854892 563888357 /nfs/dbraw/zinc/88/83/57/563888357.db2.gz NKWLYKWXULTWIW-UHFFFAOYSA-N -1 3 393.755 2.723 20 5 GFBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474183714 564268286 /nfs/dbraw/zinc/26/82/86/564268286.db2.gz IXCPTUHEGAFUAH-AWEZNQCLSA-N -1 3 384.841 2.784 20 5 GFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000474392860 564277096 /nfs/dbraw/zinc/27/70/96/564277096.db2.gz OTYRGYYVQAPOGH-GFCCVEGCSA-N -1 3 395.275 2.697 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1 ZINC000542242520 564306718 /nfs/dbraw/zinc/30/67/18/564306718.db2.gz XKJYBFGJRGMOAH-NSHDSACASA-N -1 3 395.300 2.921 20 5 GFBDHM COc1c(S(=O)(=O)[N-][C@H](C)C2CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451735298 564345559 /nfs/dbraw/zinc/34/55/59/564345559.db2.gz NMFPONKFNYJRSR-MRVPVSSYSA-N -1 3 393.259 2.751 20 5 GFBDHM Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2I)s1 ZINC000510913765 564349640 /nfs/dbraw/zinc/34/96/40/564349640.db2.gz QMBOKMXAHDKEJL-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511371492 564370232 /nfs/dbraw/zinc/37/02/32/564370232.db2.gz MQUCTKSGXZCDHU-UHFFFAOYSA-N -1 3 379.145 2.818 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CCCC1 ZINC000480761352 564487782 /nfs/dbraw/zinc/48/77/82/564487782.db2.gz SICKSYADUSBUBR-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1[N-]c1ccn(CCN2CCOCC2)n1 ZINC000571233169 564541776 /nfs/dbraw/zinc/54/17/76/564541776.db2.gz FTZHGPOADNLKBA-UHFFFAOYSA-N -1 3 386.239 2.596 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1OC ZINC000518087330 564546159 /nfs/dbraw/zinc/54/61/59/564546159.db2.gz UNZAJLRCHZIENB-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c1 ZINC000484775781 564597676 /nfs/dbraw/zinc/59/76/76/564597676.db2.gz KDODQDDCBAFGTE-SECBINFHSA-N -1 3 381.273 2.531 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000553883015 564743296 /nfs/dbraw/zinc/74/32/96/564743296.db2.gz LHQRTKCBDMMWJP-CYBMUJFWSA-N -1 3 387.458 2.685 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H]1OCCc2sccc21 ZINC000490558028 564776774 /nfs/dbraw/zinc/77/67/74/564776774.db2.gz RNHBQTGEFLXZSY-ABAIWWIYSA-N -1 3 382.463 2.946 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000490558038 564776784 /nfs/dbraw/zinc/77/67/84/564776784.db2.gz RNHBQTGEFLXZSY-NHYWBVRUSA-N -1 3 382.463 2.946 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461798999 564805741 /nfs/dbraw/zinc/80/57/41/564805741.db2.gz WAXFIPURBSOWEO-LBPRGKRZSA-N -1 3 376.862 2.715 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474753 564807543 /nfs/dbraw/zinc/80/75/43/564807543.db2.gz VCAIOKMEGAZOKT-APPZFPTMSA-N -1 3 393.259 2.609 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(F)ccc1SC ZINC000466885971 564949190 /nfs/dbraw/zinc/94/91/90/564949190.db2.gz AJTYKYZUXCRHCZ-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047026 564954699 /nfs/dbraw/zinc/95/46/99/564954699.db2.gz AKYINXSNROLUNV-TUAOUCFPSA-N -1 3 375.516 2.609 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000467981657 564976895 /nfs/dbraw/zinc/97/68/95/564976895.db2.gz FQPJKGWGWAXIFF-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM Cc1cncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000536313536 565034322 /nfs/dbraw/zinc/03/43/22/565034322.db2.gz VJJGCGIAHSSTAN-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000537017958 565051104 /nfs/dbraw/zinc/05/11/04/565051104.db2.gz ZWPMLTCWUHLROD-JOYOIKCWSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000614557910 565119958 /nfs/dbraw/zinc/11/99/58/565119958.db2.gz GWKDQASZGZVJKD-UHFFFAOYSA-N -1 3 382.360 2.989 20 5 GFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000593560373 565341714 /nfs/dbraw/zinc/34/17/14/565341714.db2.gz FHZGJZQNXSVKJP-GFCCVEGCSA-N -1 3 385.829 2.779 20 5 GFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000594850291 565429336 /nfs/dbraw/zinc/42/93/36/565429336.db2.gz DIKYWLLXDNCFJK-GXSJLCMTSA-N -1 3 382.360 2.850 20 5 GFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000594848594 565429674 /nfs/dbraw/zinc/42/96/74/565429674.db2.gz GLUWNVXZWJHQQA-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598614972 565630358 /nfs/dbraw/zinc/63/03/58/565630358.db2.gz POTJNOGNISNXDO-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352661 566036867 /nfs/dbraw/zinc/03/68/67/566036867.db2.gz BYCAYZQATKVSSU-TXEJJXNPSA-N -1 3 375.878 2.789 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711768 566094283 /nfs/dbraw/zinc/09/42/83/566094283.db2.gz FIKZJHRWCFIHOY-GFCCVEGCSA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000610955419 566107832 /nfs/dbraw/zinc/10/78/32/566107832.db2.gz OHOUZRUOJPVZLI-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1ccc(Cl)cc1 ZINC000738294220 598855928 /nfs/dbraw/zinc/85/59/28/598855928.db2.gz ACCRAMJSJSYFTM-HNNXBMFYSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1ccc(Cl)cc1 ZINC000738294220 598855930 /nfs/dbraw/zinc/85/59/30/598855930.db2.gz ACCRAMJSJSYFTM-HNNXBMFYSA-N -1 3 399.798 2.646 20 5 GFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000820769494 599039058 /nfs/dbraw/zinc/03/90/58/599039058.db2.gz UNQIIBKBIKIEAN-PIGZYNQJSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000820769494 599039061 /nfs/dbraw/zinc/03/90/61/599039061.db2.gz UNQIIBKBIKIEAN-PIGZYNQJSA-N -1 3 384.371 2.880 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H](Cn2cccn2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370771 599045142 /nfs/dbraw/zinc/04/51/42/599045142.db2.gz QGFRIVYXMFZZAU-KRWDZBQOSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H](Cn2cccn2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370771 599045144 /nfs/dbraw/zinc/04/51/44/599045144.db2.gz QGFRIVYXMFZZAU-KRWDZBQOSA-N -1 3 376.380 2.825 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000821656837 599069038 /nfs/dbraw/zinc/06/90/38/599069038.db2.gz ALOIHCNHZVSNGO-CLTKARDFSA-N -1 3 398.354 2.712 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000821656837 599069041 /nfs/dbraw/zinc/06/90/41/599069041.db2.gz ALOIHCNHZVSNGO-CLTKARDFSA-N -1 3 398.354 2.712 20 5 GFBDHM CCO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821347165 599072230 /nfs/dbraw/zinc/07/22/30/599072230.db2.gz SGMPWXSBMQFTLO-JTQLQIEISA-N -1 3 389.441 2.965 20 5 GFBDHM CCO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821347165 599072232 /nfs/dbraw/zinc/07/22/32/599072232.db2.gz SGMPWXSBMQFTLO-JTQLQIEISA-N -1 3 389.441 2.965 20 5 GFBDHM Cc1cnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822394507 599105179 /nfs/dbraw/zinc/10/51/79/599105179.db2.gz BQLBSAHMEYGZOZ-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737368508 599161772 /nfs/dbraw/zinc/16/17/72/599161772.db2.gz LQSAXTVNJRGQHA-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737368508 599161774 /nfs/dbraw/zinc/16/17/74/599161774.db2.gz LQSAXTVNJRGQHA-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737372948 599164043 /nfs/dbraw/zinc/16/40/43/599164043.db2.gz NKJHNODKTDNOBL-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737372948 599164046 /nfs/dbraw/zinc/16/40/46/599164046.db2.gz NKJHNODKTDNOBL-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM CC(C)(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819891950 599165451 /nfs/dbraw/zinc/16/54/51/599165451.db2.gz NDTIHDYGGQKHBC-UHFFFAOYSA-N -1 3 384.371 2.508 20 5 GFBDHM CC(C)(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819891950 599165452 /nfs/dbraw/zinc/16/54/52/599165452.db2.gz NDTIHDYGGQKHBC-UHFFFAOYSA-N -1 3 384.371 2.508 20 5 GFBDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000823238938 599248045 /nfs/dbraw/zinc/24/80/45/599248045.db2.gz ULLFJRVUENWYTG-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000823238938 599248048 /nfs/dbraw/zinc/24/80/48/599248048.db2.gz ULLFJRVUENWYTG-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738319369 598381137 /nfs/dbraw/zinc/38/11/37/598381137.db2.gz OLNRHESROPIPEH-ZSOIEALJSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738319369 598381140 /nfs/dbraw/zinc/38/11/40/598381140.db2.gz OLNRHESROPIPEH-ZSOIEALJSA-N -1 3 396.750 2.773 20 5 GFBDHM Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737274013 598454048 /nfs/dbraw/zinc/45/40/48/598454048.db2.gz JXHKIUWLAPYFTJ-UHFFFAOYSA-N -1 3 396.392 2.583 20 5 GFBDHM Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737274013 598454049 /nfs/dbraw/zinc/45/40/49/598454049.db2.gz JXHKIUWLAPYFTJ-UHFFFAOYSA-N -1 3 396.392 2.583 20 5 GFBDHM C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736152365 598487909 /nfs/dbraw/zinc/48/79/09/598487909.db2.gz TZKYUXIMEYUEHG-GFCCVEGCSA-N -1 3 382.380 2.881 20 5 GFBDHM C[C@@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736152365 598487912 /nfs/dbraw/zinc/48/79/12/598487912.db2.gz TZKYUXIMEYUEHG-GFCCVEGCSA-N -1 3 382.380 2.881 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738318016 598493667 /nfs/dbraw/zinc/49/36/67/598493667.db2.gz HKGLAIYVDDXSNK-XYOKQWHBSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738318016 598493668 /nfs/dbraw/zinc/49/36/68/598493668.db2.gz HKGLAIYVDDXSNK-XYOKQWHBSA-N -1 3 396.750 2.773 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cc(F)c(N3CCCC3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738373890 598499976 /nfs/dbraw/zinc/49/99/76/598499976.db2.gz JLWHDOBRPDUIFC-UHFFFAOYSA-N -1 3 388.338 2.792 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cc(F)c(N3CCCC3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738373890 598499978 /nfs/dbraw/zinc/49/99/78/598499978.db2.gz JLWHDOBRPDUIFC-UHFFFAOYSA-N -1 3 388.338 2.792 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736292531 598500629 /nfs/dbraw/zinc/50/06/29/598500629.db2.gz KDKQONRJPWTQGV-RYUDHWBXSA-N -1 3 396.411 2.527 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736292531 598500631 /nfs/dbraw/zinc/50/06/31/598500631.db2.gz KDKQONRJPWTQGV-RYUDHWBXSA-N -1 3 396.411 2.527 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1SC ZINC000363363492 598647012 /nfs/dbraw/zinc/64/70/12/598647012.db2.gz ZBIDOVSILZOPAW-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1SC ZINC000363363492 598647015 /nfs/dbraw/zinc/64/70/15/598647015.db2.gz ZBIDOVSILZOPAW-UHFFFAOYSA-N -1 3 386.393 2.758 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738151339 598663415 /nfs/dbraw/zinc/66/34/15/598663415.db2.gz RPWSJENQGXFEPN-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738151339 598663416 /nfs/dbraw/zinc/66/34/16/598663416.db2.gz RPWSJENQGXFEPN-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738234325 598707284 /nfs/dbraw/zinc/70/72/84/598707284.db2.gz ASVUCDSHTJDRFI-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738234325 598707286 /nfs/dbraw/zinc/70/72/86/598707286.db2.gz ASVUCDSHTJDRFI-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738230667 598711390 /nfs/dbraw/zinc/71/13/90/598711390.db2.gz HZUSLHSYNSSBMR-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000738230667 598711391 /nfs/dbraw/zinc/71/13/91/598711391.db2.gz HZUSLHSYNSSBMR-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM Cc1c(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737216348 598714052 /nfs/dbraw/zinc/71/40/52/598714052.db2.gz RHEDGWKSAOLAPF-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM Cc1c(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737216348 598714055 /nfs/dbraw/zinc/71/40/55/598714055.db2.gz RHEDGWKSAOLAPF-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300202 598735667 /nfs/dbraw/zinc/73/56/67/598735667.db2.gz VQNVCRZGMKIRKP-UVMWJGKXSA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300202 598735668 /nfs/dbraw/zinc/73/56/68/598735668.db2.gz VQNVCRZGMKIRKP-UVMWJGKXSA-N -1 3 376.376 2.766 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738369789 598765953 /nfs/dbraw/zinc/76/59/53/598765953.db2.gz OQYFRGDULVBFBH-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Br ZINC000737105581 598773487 /nfs/dbraw/zinc/77/34/87/598773487.db2.gz JIMPCIFOROTSIL-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM COc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Br ZINC000737105581 598773489 /nfs/dbraw/zinc/77/34/89/598773489.db2.gz JIMPCIFOROTSIL-UHFFFAOYSA-N -1 3 392.173 2.685 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735914780 598787016 /nfs/dbraw/zinc/78/70/16/598787016.db2.gz ZXBWQWBUZRSJMW-UHFFFAOYSA-N -1 3 397.391 2.848 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735914780 598787017 /nfs/dbraw/zinc/78/70/17/598787017.db2.gz ZXBWQWBUZRSJMW-UHFFFAOYSA-N -1 3 397.391 2.848 20 5 GFBDHM COc1cc(CCNc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])cc1OC ZINC000821713251 599329939 /nfs/dbraw/zinc/32/99/39/599329939.db2.gz SYAKDONCBODNSV-UHFFFAOYSA-N -1 3 388.359 2.586 20 5 GFBDHM COc1cc(CCNc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])cc1OC ZINC000821713251 599329941 /nfs/dbraw/zinc/32/99/41/599329941.db2.gz SYAKDONCBODNSV-UHFFFAOYSA-N -1 3 388.359 2.586 20 5 GFBDHM Cc1c(CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826235443 607443233 /nfs/dbraw/zinc/44/32/33/607443233.db2.gz KCLSLTBGBGCSEX-UHFFFAOYSA-N -1 3 386.799 2.942 20 5 GFBDHM Cc1c(CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826235443 607443234 /nfs/dbraw/zinc/44/32/34/607443234.db2.gz KCLSLTBGBGCSEX-UHFFFAOYSA-N -1 3 386.799 2.942 20 5 GFBDHM COc1cc2c(cc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821728746 607470302 /nfs/dbraw/zinc/47/03/02/607470302.db2.gz ZEIAYVWUHYQRPP-JTQLQIEISA-N -1 3 382.380 2.719 20 5 GFBDHM COc1cc2c(cc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821728746 607470303 /nfs/dbraw/zinc/47/03/03/607470303.db2.gz ZEIAYVWUHYQRPP-JTQLQIEISA-N -1 3 382.380 2.719 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823639843 607495833 /nfs/dbraw/zinc/49/58/33/607495833.db2.gz IOVOUCHJQNYUSL-INIZCTEOSA-N -1 3 380.408 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000823639843 607495835 /nfs/dbraw/zinc/49/58/35/607495835.db2.gz IOVOUCHJQNYUSL-INIZCTEOSA-N -1 3 380.408 2.961 20 5 GFBDHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830608924 601672289 /nfs/dbraw/zinc/67/22/89/601672289.db2.gz LKRTXKASIMSUAF-UHFFFAOYSA-N -1 3 377.422 2.559 20 5 GFBDHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000824019640 607523961 /nfs/dbraw/zinc/52/39/61/607523961.db2.gz JFLNOBLFSBDZTP-UHFFFAOYSA-N -1 3 386.755 2.883 20 5 GFBDHM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000824019640 607523963 /nfs/dbraw/zinc/52/39/63/607523963.db2.gz JFLNOBLFSBDZTP-UHFFFAOYSA-N -1 3 386.755 2.883 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000826451174 607525517 /nfs/dbraw/zinc/52/55/17/607525517.db2.gz TWUHCNFWGGQORI-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000826451174 607525519 /nfs/dbraw/zinc/52/55/19/607525519.db2.gz TWUHCNFWGGQORI-UHFFFAOYSA-N -1 3 389.715 2.589 20 5 GFBDHM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830524413 602401253 /nfs/dbraw/zinc/40/12/53/602401253.db2.gz XROAZQAYTBJHLV-KRWDZBQOSA-N -1 3 383.404 2.640 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000823512587 606106424 /nfs/dbraw/zinc/10/64/24/606106424.db2.gz OZPZHVNFEBBDRT-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000823512587 606106426 /nfs/dbraw/zinc/10/64/26/606106426.db2.gz OZPZHVNFEBBDRT-CQSZACIVSA-N -1 3 399.798 2.646 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOCc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643798 606142956 /nfs/dbraw/zinc/14/29/56/606142956.db2.gz BIRQKKDRCYOKIJ-UHFFFAOYSA-N -1 3 391.391 2.952 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOCc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643798 606142959 /nfs/dbraw/zinc/14/29/59/606142959.db2.gz BIRQKKDRCYOKIJ-UHFFFAOYSA-N -1 3 391.391 2.952 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000823651516 606432826 /nfs/dbraw/zinc/43/28/26/606432826.db2.gz MXMVJGXPBZFHSF-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000823651516 606432828 /nfs/dbraw/zinc/43/28/28/606432828.db2.gz MXMVJGXPBZFHSF-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823557723 606590388 /nfs/dbraw/zinc/59/03/88/606590388.db2.gz PANCLIOJIBEXFH-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823557723 606590390 /nfs/dbraw/zinc/59/03/90/606590390.db2.gz PANCLIOJIBEXFH-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919317 606621661 /nfs/dbraw/zinc/62/16/61/606621661.db2.gz BOZWHNDLTZVKEH-IAGOWNOFSA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919317 606621662 /nfs/dbraw/zinc/62/16/62/606621662.db2.gz BOZWHNDLTZVKEH-IAGOWNOFSA-N -1 3 396.407 2.730 20 5 GFBDHM O=C(c1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000823493318 606645218 /nfs/dbraw/zinc/64/52/18/606645218.db2.gz KUVFAKCRHKUYHW-UHFFFAOYSA-N -1 3 378.392 2.874 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000821609653 606786751 /nfs/dbraw/zinc/78/67/51/606786751.db2.gz GKIYCMDMCDSCEH-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000821609653 606786754 /nfs/dbraw/zinc/78/67/54/606786754.db2.gz GKIYCMDMCDSCEH-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000822200996 606811536 /nfs/dbraw/zinc/81/15/36/606811536.db2.gz MIBDSOODKIXQPG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000822200996 606811537 /nfs/dbraw/zinc/81/15/37/606811537.db2.gz MIBDSOODKIXQPG-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2ncn(CCCOc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823644682 606868006 /nfs/dbraw/zinc/86/80/06/606868006.db2.gz KHHUSVAZTRQRFJ-UHFFFAOYSA-N -1 3 392.379 2.503 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2ncn(CCCOc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823644682 606868008 /nfs/dbraw/zinc/86/80/08/606868008.db2.gz KHHUSVAZTRQRFJ-UHFFFAOYSA-N -1 3 392.379 2.503 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821845529 606963481 /nfs/dbraw/zinc/96/34/81/606963481.db2.gz HOAUEJHSIIGOET-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821845529 606963483 /nfs/dbraw/zinc/96/34/83/606963483.db2.gz HOAUEJHSIIGOET-UHFFFAOYSA-N -1 3 388.771 2.714 20 5 GFBDHM CCS[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000821446672 607043215 /nfs/dbraw/zinc/04/32/15/607043215.db2.gz CGRFIETVSQZQHL-SECBINFHSA-N -1 3 390.429 2.608 20 5 GFBDHM CCS[C@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000821446672 607043217 /nfs/dbraw/zinc/04/32/17/607043217.db2.gz CGRFIETVSQZQHL-SECBINFHSA-N -1 3 390.429 2.608 20 5 GFBDHM Cc1ccn(-c2ccccc2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000822369692 607126277 /nfs/dbraw/zinc/12/62/77/607126277.db2.gz LZQMUBONRSPFLV-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM Cc1ccn(-c2ccccc2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000822369692 607126279 /nfs/dbraw/zinc/12/62/79/607126279.db2.gz LZQMUBONRSPFLV-UHFFFAOYSA-N -1 3 376.380 2.881 20 5 GFBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1=O ZINC000822212918 607170884 /nfs/dbraw/zinc/17/08/84/607170884.db2.gz NBHPJZRMNWMLMP-UHFFFAOYSA-N -1 3 388.387 2.960 20 5 GFBDHM Cc1cc([N+](=O)[O-])cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1=O ZINC000822212918 607170885 /nfs/dbraw/zinc/17/08/85/607170885.db2.gz NBHPJZRMNWMLMP-UHFFFAOYSA-N -1 3 388.387 2.960 20 5 GFBDHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826469259 607834687 /nfs/dbraw/zinc/83/46/87/607834687.db2.gz ZMDYVMORQUDRJO-UHFFFAOYSA-N -1 3 386.318 2.646 20 5 GFBDHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826469259 607834688 /nfs/dbraw/zinc/83/46/88/607834688.db2.gz ZMDYVMORQUDRJO-UHFFFAOYSA-N -1 3 386.318 2.646 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735625349 608051612 /nfs/dbraw/zinc/05/16/12/608051612.db2.gz DLGMAZUZSVUKRG-NSHDSACASA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735625349 608051613 /nfs/dbraw/zinc/05/16/13/608051613.db2.gz DLGMAZUZSVUKRG-NSHDSACASA-N -1 3 389.416 2.586 20 5 GFBDHM C[C@H](C[C@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391819 608123347 /nfs/dbraw/zinc/12/33/47/608123347.db2.gz KYISIXBATKUYKY-BMIGLBTASA-N -1 3 395.379 2.840 20 5 GFBDHM C[C@H](C[C@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391819 608123348 /nfs/dbraw/zinc/12/33/48/608123348.db2.gz KYISIXBATKUYKY-BMIGLBTASA-N -1 3 395.379 2.840 20 5 GFBDHM CC(C)c1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)nn1C ZINC000824342032 608162339 /nfs/dbraw/zinc/16/23/39/608162339.db2.gz JJBFSLXZHMVJBD-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM CC(C)c1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)nn1C ZINC000824342032 608162341 /nfs/dbraw/zinc/16/23/41/608162341.db2.gz JJBFSLXZHMVJBD-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1COc2ccccc21 ZINC000826451049 608162570 /nfs/dbraw/zinc/16/25/70/608162570.db2.gz NOIXJZJAAARGIX-SNVBAGLBSA-N -1 3 386.755 2.543 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1COc2ccccc21 ZINC000826451049 608162572 /nfs/dbraw/zinc/16/25/72/608162572.db2.gz NOIXJZJAAARGIX-SNVBAGLBSA-N -1 3 386.755 2.543 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1F ZINC000826177883 608163135 /nfs/dbraw/zinc/16/31/35/608163135.db2.gz ZQDMDFGQEAPSOY-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1F ZINC000826177883 608163137 /nfs/dbraw/zinc/16/31/37/608163137.db2.gz ZQDMDFGQEAPSOY-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826189843 608239043 /nfs/dbraw/zinc/23/90/43/608239043.db2.gz GXNGXCWDRCCNSA-GTNSWQLSSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@@H](OC)[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826189843 608239044 /nfs/dbraw/zinc/23/90/44/608239044.db2.gz GXNGXCWDRCCNSA-GTNSWQLSSA-N -1 3 384.396 2.972 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826466143 608440500 /nfs/dbraw/zinc/44/05/00/608440500.db2.gz QCIMPUWIWVFTQC-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826466143 608440502 /nfs/dbraw/zinc/44/05/02/608440502.db2.gz QCIMPUWIWVFTQC-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627449 608465754 /nfs/dbraw/zinc/46/57/54/608465754.db2.gz XIHOEEAPZFMZIA-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627449 608465755 /nfs/dbraw/zinc/46/57/55/608465755.db2.gz XIHOEEAPZFMZIA-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824337600 608543821 /nfs/dbraw/zinc/54/38/21/608543821.db2.gz CNGKKROOOYOECV-UHFFFAOYSA-N -1 3 385.409 2.923 20 5 GFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824337600 608543822 /nfs/dbraw/zinc/54/38/22/608543822.db2.gz CNGKKROOOYOECV-UHFFFAOYSA-N -1 3 385.409 2.923 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826272425 608569780 /nfs/dbraw/zinc/56/97/80/608569780.db2.gz IULYIJKKYPYIGL-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826272425 608569782 /nfs/dbraw/zinc/56/97/82/608569782.db2.gz IULYIJKKYPYIGL-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500406 608851484 /nfs/dbraw/zinc/85/14/84/608851484.db2.gz XOHKZJIGDJRDKM-KYLNKMBASA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500406 608851485 /nfs/dbraw/zinc/85/14/85/608851485.db2.gz XOHKZJIGDJRDKM-KYLNKMBASA-N -1 3 392.419 2.862 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464285 609328044 /nfs/dbraw/zinc/32/80/44/609328044.db2.gz QDRQCKBDHFHNMC-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464285 609328046 /nfs/dbraw/zinc/32/80/46/609328046.db2.gz QDRQCKBDHFHNMC-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM CC(=CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942816 609477102 /nfs/dbraw/zinc/47/71/02/609477102.db2.gz JRVSIHGBTBCUNL-RAXLEYEMSA-N -1 3 378.392 2.837 20 5 GFBDHM CC(=CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942816 609477105 /nfs/dbraw/zinc/47/71/05/609477105.db2.gz JRVSIHGBTBCUNL-RAXLEYEMSA-N -1 3 378.392 2.837 20 5 GFBDHM CC(=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000823944142 609509033 /nfs/dbraw/zinc/50/90/33/609509033.db2.gz YOZYQCLLZMSXAY-BENRWUELSA-N -1 3 376.376 2.768 20 5 GFBDHM CC(=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000823944142 609509035 /nfs/dbraw/zinc/50/90/35/609509035.db2.gz YOZYQCLLZMSXAY-BENRWUELSA-N -1 3 376.376 2.768 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000826292061 609561039 /nfs/dbraw/zinc/56/10/39/609561039.db2.gz GPOYSHSULBNFDI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000826292061 609561042 /nfs/dbraw/zinc/56/10/42/609561042.db2.gz GPOYSHSULBNFDI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826465464 609616909 /nfs/dbraw/zinc/61/69/09/609616909.db2.gz OEUILNJCJLQPPX-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826465464 609616910 /nfs/dbraw/zinc/61/69/10/609616910.db2.gz OEUILNJCJLQPPX-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1nnc([N-]C(=O)c2ccc(I)c([N+](=O)[O-])c2)s1 ZINC000107102388 655117499 /nfs/dbraw/zinc/11/74/99/655117499.db2.gz CMCUALDXBRXOLN-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000173068354 655162421 /nfs/dbraw/zinc/16/24/21/655162421.db2.gz DKAFREVYHJUTNI-SNVBAGLBSA-N -1 3 375.244 2.992 20 5 GFBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 ZINC000173634947 655175736 /nfs/dbraw/zinc/17/57/36/655175736.db2.gz SQJTZCPNAWDMRF-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2Cc2ccccc2)s1 ZINC000114742464 655228283 /nfs/dbraw/zinc/22/82/83/655228283.db2.gz LEZYAPHRLIMIDG-CQSZACIVSA-N -1 3 381.479 2.599 20 5 GFBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119247577 655295040 /nfs/dbraw/zinc/29/50/40/655295040.db2.gz QNJPYXFOGBPEII-NOZJJQNGSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000725822607 655526946 /nfs/dbraw/zinc/52/69/46/655526946.db2.gz HUIHPOXTXLIVTJ-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000741937173 655709024 /nfs/dbraw/zinc/70/90/24/655709024.db2.gz SFAPGASCDYKLGQ-UHFFFAOYSA-N -1 3 385.379 2.529 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742322684 655715717 /nfs/dbraw/zinc/71/57/17/655715717.db2.gz VXNQBBMRTUHQRE-UHFFFAOYSA-N -1 3 385.785 2.677 20 5 GFBDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000766578716 656176930 /nfs/dbraw/zinc/17/69/30/656176930.db2.gz YLVHNTNHMYQZRN-ZCFIWIBFSA-N -1 3 391.165 2.977 20 5 GFBDHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OCC ZINC000784708035 657322811 /nfs/dbraw/zinc/32/28/11/657322811.db2.gz XWHRCIZQAWUNOE-DUMNWFOQSA-N -1 3 390.845 2.733 20 5 GFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cnc1C ZINC000794042540 658481043 /nfs/dbraw/zinc/48/10/43/658481043.db2.gz NEBJCAXFLAGTKH-UHFFFAOYSA-N -1 3 385.785 2.539 20 5 GFBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928311 658873634 /nfs/dbraw/zinc/87/36/34/658873634.db2.gz LNNZMNVFVNZOKC-SNVBAGLBSA-N -1 3 379.841 2.538 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000814986143 660100032 /nfs/dbraw/zinc/10/00/32/660100032.db2.gz HYXRFKDIDMCDFT-UHFFFAOYSA-N -1 3 393.868 2.930 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000010683438 551105796 /nfs/dbraw/zinc/10/57/96/551105796.db2.gz RCLRCMDWJXBTLQ-UHFFFAOYSA-N -1 3 376.312 2.972 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000056088560 551176734 /nfs/dbraw/zinc/17/67/34/551176734.db2.gz HVNMOTDECFTNII-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nnc2ccccn21 ZINC000155568729 551502846 /nfs/dbraw/zinc/50/28/46/551502846.db2.gz BKXKODPSIMQOOD-JTQLQIEISA-N -1 3 381.439 2.519 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000157706641 551541439 /nfs/dbraw/zinc/54/14/39/551541439.db2.gz TUXSZRGXAATZON-OLZOCXBDSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000162893845 551614004 /nfs/dbraw/zinc/61/40/04/551614004.db2.gz MMZFHGBMOKPBNE-IUCAKERBSA-N -1 3 382.360 2.848 20 5 GFBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000162954791 551614574 /nfs/dbraw/zinc/61/45/74/551614574.db2.gz NKANXRBCQBMZKH-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000178932685 552179640 /nfs/dbraw/zinc/17/96/40/552179640.db2.gz DLLMIHUFSQDVFY-UHFFFAOYSA-N -1 3 377.447 2.867 20 5 GFBDHM Cc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c(=O)[n-]1 ZINC000182289722 552280336 /nfs/dbraw/zinc/28/03/36/552280336.db2.gz QZGWVHBYHAYWBL-UHFFFAOYSA-N -1 3 395.213 2.629 20 5 GFBDHM CC(=O)N(c1nnc(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)s1)C1CC1 ZINC000296544797 563291987 /nfs/dbraw/zinc/29/19/87/563291987.db2.gz OEUIIPLUVJHFOS-UHFFFAOYSA-N -1 3 376.423 2.989 20 5 GFBDHM CC(=O)N(c1nnc(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)s1)C1CC1 ZINC000296544797 563291992 /nfs/dbraw/zinc/29/19/92/563291992.db2.gz OEUIIPLUVJHFOS-UHFFFAOYSA-N -1 3 376.423 2.989 20 5 GFBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000299703048 563389955 /nfs/dbraw/zinc/38/99/55/563389955.db2.gz PVNJJBIBWIWTCO-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431167293 563554806 /nfs/dbraw/zinc/55/48/06/563554806.db2.gz LERLNYRFAOLZAA-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431167293 563554809 /nfs/dbraw/zinc/55/48/09/563554809.db2.gz LERLNYRFAOLZAA-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=[N+]([O-])c1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000441370579 563758981 /nfs/dbraw/zinc/75/89/81/563758981.db2.gz QXGBVAJJKBRXRX-UHFFFAOYSA-N -1 3 393.849 2.517 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Br)c1 ZINC000443735042 563810966 /nfs/dbraw/zinc/81/09/66/563810966.db2.gz VIIFUALHQPARSN-UHFFFAOYSA-N -1 3 375.244 2.826 20 5 GFBDHM O=[N+]([O-])c1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc(Cl)c3F)nc2c1 ZINC000443966290 563816937 /nfs/dbraw/zinc/81/69/37/563816937.db2.gz SLZRLWJRQPGVOK-UHFFFAOYSA-N -1 3 384.776 2.742 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(O)CCCCC1 ZINC000416399290 563823246 /nfs/dbraw/zinc/82/32/46/563823246.db2.gz DCCSKZCHXYHGQR-UHFFFAOYSA-N -1 3 382.360 2.587 20 5 GFBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416436808 563828667 /nfs/dbraw/zinc/82/86/67/563828667.db2.gz JNPMYRYFPLENCU-SNVBAGLBSA-N -1 3 384.376 2.689 20 5 GFBDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453328 563830841 /nfs/dbraw/zinc/83/08/41/563830841.db2.gz CTDHWGSVOVFHPQ-NOZJJQNGSA-N -1 3 384.376 2.689 20 5 GFBDHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416481312 563835646 /nfs/dbraw/zinc/83/56/46/563835646.db2.gz BWTZFRUEYHOLDN-CYBMUJFWSA-N -1 3 382.360 2.851 20 5 GFBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445713408 563852558 /nfs/dbraw/zinc/85/25/58/563852558.db2.gz DVUKTJLKAQGJFL-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Br)c1 ZINC000446947390 563871045 /nfs/dbraw/zinc/87/10/45/563871045.db2.gz XZFFGKGFZZEEFS-UHFFFAOYSA-N -1 3 375.244 2.824 20 5 GFBDHM COc1cc(CNc2nc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000472582145 564227254 /nfs/dbraw/zinc/22/72/54/564227254.db2.gz PLZWGXOQINBPGN-UHFFFAOYSA-N -1 3 393.197 2.982 20 5 GFBDHM COc1cc(CNc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000472582145 564227257 /nfs/dbraw/zinc/22/72/57/564227257.db2.gz PLZWGXOQINBPGN-UHFFFAOYSA-N -1 3 393.197 2.982 20 5 GFBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000474183407 564268660 /nfs/dbraw/zinc/26/86/60/564268660.db2.gz PVGORDLEHYONCG-CYBMUJFWSA-N -1 3 384.841 2.784 20 5 GFBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000474183408 564268699 /nfs/dbraw/zinc/26/86/99/564268699.db2.gz PVGORDLEHYONCG-ZDUSSCGKSA-N -1 3 384.841 2.784 20 5 GFBDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838203 564299024 /nfs/dbraw/zinc/29/90/24/564299024.db2.gz MMBCAXLJHLSVBW-SKDRFNHKSA-N -1 3 384.376 2.689 20 5 GFBDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838200 564299038 /nfs/dbraw/zinc/29/90/38/564299038.db2.gz MMBCAXLJHLSVBW-JOYOIKCWSA-N -1 3 384.376 2.689 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2SC)c([N+](=O)[O-])c1 ZINC000509574911 564304190 /nfs/dbraw/zinc/30/41/90/564304190.db2.gz YKGUUMODHYNHQC-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000451615746 564332290 /nfs/dbraw/zinc/33/22/90/564332290.db2.gz WRNXVNQMRBHNOA-UHFFFAOYSA-N -1 3 387.202 2.989 20 5 GFBDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824838 564356211 /nfs/dbraw/zinc/35/62/11/564356211.db2.gz PPPRHLGUANSLEA-RISCZKNCSA-N -1 3 376.862 2.978 20 5 GFBDHM COc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1[N+](=O)[O-] ZINC000511319559 564367155 /nfs/dbraw/zinc/36/71/55/564367155.db2.gz LRBNMADOVSWFKK-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452031000 564385116 /nfs/dbraw/zinc/38/51/16/564385116.db2.gz IYEPBJIJHBSAEZ-UHFFFAOYSA-N -1 3 384.376 2.689 20 5 GFBDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000478773368 564414449 /nfs/dbraw/zinc/41/44/49/564414449.db2.gz PZPGMPKNSIZXNV-CQSZACIVSA-N -1 3 378.472 2.611 20 5 GFBDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479229377 564431774 /nfs/dbraw/zinc/43/17/74/564431774.db2.gz YWSMSILQBRLUJK-VIFPVBQESA-N -1 3 378.834 2.647 20 5 GFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000545929164 564438303 /nfs/dbraw/zinc/43/83/03/564438303.db2.gz GVUOVASSZMSHRX-UHFFFAOYSA-N -1 3 384.826 2.731 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000480955315 564497163 /nfs/dbraw/zinc/49/71/63/564497163.db2.gz PEYWCUJLLSVVNA-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160314 564678143 /nfs/dbraw/zinc/67/81/43/564678143.db2.gz XTPPDOVLTAPBPO-XHDPSFHLSA-N -1 3 376.862 2.978 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1 ZINC000553571042 564727638 /nfs/dbraw/zinc/72/76/38/564727638.db2.gz BQYSFKFPZQMENG-VIFPVBQESA-N -1 3 395.300 2.779 20 5 GFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000533095196 564954738 /nfs/dbraw/zinc/95/47/38/564954738.db2.gz UZNXULFFWZOLIL-OAHLLOKOSA-N -1 3 384.841 2.877 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000467416963 564963288 /nfs/dbraw/zinc/96/32/88/564963288.db2.gz JIGBVJMOZCXXSY-UHFFFAOYSA-N -1 3 384.435 2.605 20 5 GFBDHM Cc1c(Br)cc(C(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000561156636 564986124 /nfs/dbraw/zinc/98/61/24/564986124.db2.gz AIOSGPUSAANMAX-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM COCC1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000563060058 565054362 /nfs/dbraw/zinc/05/43/62/565054362.db2.gz ZVCABKULTWXXLM-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CSc2ccccc2O1 ZINC000592067271 565251466 /nfs/dbraw/zinc/25/14/66/565251466.db2.gz CJFAKKKIHGOSJK-LBPRGKRZSA-N -1 3 380.447 2.817 20 5 GFBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116512 565258292 /nfs/dbraw/zinc/25/82/92/565258292.db2.gz VOOYJFIRRKJJCE-CPCISQLKSA-N -1 3 381.273 2.530 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000617873686 565263750 /nfs/dbraw/zinc/26/37/50/565263750.db2.gz ITKPEROEVHWMMD-UHFFFAOYSA-N -1 3 384.801 2.879 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c[n-]1 ZINC000617873686 565263754 /nfs/dbraw/zinc/26/37/54/565263754.db2.gz ITKPEROEVHWMMD-UHFFFAOYSA-N -1 3 384.801 2.879 20 5 GFBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547518 565340675 /nfs/dbraw/zinc/34/06/75/565340675.db2.gz RZQHOYGOVOVQKN-ZUZCIYMTSA-N -1 3 385.829 2.698 20 5 GFBDHM COCC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000594804946 565422456 /nfs/dbraw/zinc/42/24/56/565422456.db2.gz RQFKARSCZIWYRR-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000596211212 565515822 /nfs/dbraw/zinc/51/58/22/565515822.db2.gz TUTNTHDJXXWYGT-JTQLQIEISA-N -1 3 382.214 2.721 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)c(Cl)c1 ZINC000599380502 565674636 /nfs/dbraw/zinc/67/46/36/565674636.db2.gz QPIUWSJDRAQXPW-AWEZNQCLSA-N -1 3 382.825 2.668 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000610591649 566089843 /nfs/dbraw/zinc/08/98/43/566089843.db2.gz DAQGDGNMMSBZCR-UHFFFAOYSA-N -1 3 378.303 2.938 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711769 566093835 /nfs/dbraw/zinc/09/38/35/566093835.db2.gz FIKZJHRWCFIHOY-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM Nc1c(C(=O)Nc2cc(I)ccc2[O-])cccc1[N+](=O)[O-] ZINC000610724009 566094843 /nfs/dbraw/zinc/09/48/43/566094843.db2.gz ZHBDSDBFHGATQT-UHFFFAOYSA-N -1 3 399.144 2.740 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cs1 ZINC000610956034 566108284 /nfs/dbraw/zinc/10/82/84/566108284.db2.gz JCXNKECNVNPCFB-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737802062 598834254 /nfs/dbraw/zinc/83/42/54/598834254.db2.gz OMBHZBHIZLROOL-JLHYYAGUSA-N -1 3 392.419 2.927 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737802062 598834256 /nfs/dbraw/zinc/83/42/56/598834256.db2.gz OMBHZBHIZLROOL-JLHYYAGUSA-N -1 3 392.419 2.927 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736170330 598891840 /nfs/dbraw/zinc/89/18/40/598891840.db2.gz PFNGFHNUYJOFKN-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(c2)nc2n3CCCCC2)c(-c2nnn[n-]2)c1 ZINC000823651076 599210885 /nfs/dbraw/zinc/21/08/85/599210885.db2.gz DPSMXMNYGFAICN-UHFFFAOYSA-N -1 3 391.395 2.990 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(c2)nc2n3CCCCC2)c(-c2nn[n-]n2)c1 ZINC000823651076 599210888 /nfs/dbraw/zinc/21/08/88/599210888.db2.gz DPSMXMNYGFAICN-UHFFFAOYSA-N -1 3 391.395 2.990 20 5 GFBDHM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737271180 599231448 /nfs/dbraw/zinc/23/14/48/599231448.db2.gz SRHIAHQUNBRUMS-CYBMUJFWSA-N -1 3 398.402 2.698 20 5 GFBDHM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737271180 599231452 /nfs/dbraw/zinc/23/14/52/599231452.db2.gz SRHIAHQUNBRUMS-CYBMUJFWSA-N -1 3 398.402 2.698 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2ccnc(N3CCCCC3)c2)ccc1-c1nnn[n-]1 ZINC000823634154 607347101 /nfs/dbraw/zinc/34/71/01/607347101.db2.gz BFSGJECBUPFRQG-UHFFFAOYSA-N -1 3 380.412 2.772 20 5 GFBDHM O=[N+]([O-])c1cc(NCc2ccnc(N3CCCCC3)c2)ccc1-c1nn[n-]n1 ZINC000823634154 607347103 /nfs/dbraw/zinc/34/71/03/607347103.db2.gz BFSGJECBUPFRQG-UHFFFAOYSA-N -1 3 380.412 2.772 20 5 GFBDHM Cc1sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000737562730 598497737 /nfs/dbraw/zinc/49/77/37/598497737.db2.gz MEMGVJYXPBMPQU-UHFFFAOYSA-N -1 3 380.336 2.984 20 5 GFBDHM Cc1sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000737562730 598497739 /nfs/dbraw/zinc/49/77/39/598497739.db2.gz MEMGVJYXPBMPQU-UHFFFAOYSA-N -1 3 380.336 2.984 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371980 598504784 /nfs/dbraw/zinc/50/47/84/598504784.db2.gz ZTAWIHNMIFCUIW-SFHVURJKSA-N -1 3 398.398 2.864 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371980 598504786 /nfs/dbraw/zinc/50/47/86/598504786.db2.gz ZTAWIHNMIFCUIW-SFHVURJKSA-N -1 3 398.398 2.864 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000736171869 598735681 /nfs/dbraw/zinc/73/56/81/598735681.db2.gz ZCDVMHKMTZYIPL-RYUDHWBXSA-N -1 3 394.391 2.520 20 5 GFBDHM O=[N+]([O-])c1ccc(F)cc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738368404 598765757 /nfs/dbraw/zinc/76/57/57/598765757.db2.gz DCPRQANFLWQTKZ-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM COC(=O)CCCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736912468 598772598 /nfs/dbraw/zinc/77/25/98/598772598.db2.gz CBPILFXJGGHCBV-UHFFFAOYSA-N -1 3 398.379 2.851 20 5 GFBDHM COC(=O)CCCOc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736912468 598772599 /nfs/dbraw/zinc/77/25/99/598772599.db2.gz CBPILFXJGGHCBV-UHFFFAOYSA-N -1 3 398.379 2.851 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737262944 599301920 /nfs/dbraw/zinc/30/19/20/599301920.db2.gz HQAOJTDTMBWWPP-UHFFFAOYSA-N -1 3 389.755 2.721 20 5 GFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737262944 599301923 /nfs/dbraw/zinc/30/19/23/599301923.db2.gz HQAOJTDTMBWWPP-UHFFFAOYSA-N -1 3 389.755 2.721 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737799354 599375511 /nfs/dbraw/zinc/37/55/11/599375511.db2.gz NUFQCJDFEXURGX-NTMALXAHSA-N -1 3 376.376 2.768 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737799354 599375514 /nfs/dbraw/zinc/37/55/14/599375514.db2.gz NUFQCJDFEXURGX-NTMALXAHSA-N -1 3 376.376 2.768 20 5 GFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)CC1(C)OCCO1 ZINC000820276545 599685308 /nfs/dbraw/zinc/68/53/08/599685308.db2.gz XOXMKQAKWWJUCH-NSHDSACASA-N -1 3 399.411 2.524 20 5 GFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)CC1(C)OCCO1 ZINC000820276545 599685309 /nfs/dbraw/zinc/68/53/09/599685309.db2.gz XOXMKQAKWWJUCH-NSHDSACASA-N -1 3 399.411 2.524 20 5 GFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825642883 607389060 /nfs/dbraw/zinc/38/90/60/607389060.db2.gz CQDIHIBXTUZHJY-UHFFFAOYSA-N -1 3 383.364 2.839 20 5 GFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825642883 607389061 /nfs/dbraw/zinc/38/90/61/607389061.db2.gz CQDIHIBXTUZHJY-UHFFFAOYSA-N -1 3 383.364 2.839 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251605 607402772 /nfs/dbraw/zinc/40/27/72/607402772.db2.gz VFEAAKJLPJFGFS-GJZGRUSLSA-N -1 3 397.395 2.621 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251605 607402774 /nfs/dbraw/zinc/40/27/74/607402774.db2.gz VFEAAKJLPJFGFS-GJZGRUSLSA-N -1 3 397.395 2.621 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000821745334 607415410 /nfs/dbraw/zinc/41/54/10/607415410.db2.gz QKPZECOSQRFJAB-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000821745334 607415412 /nfs/dbraw/zinc/41/54/12/607415412.db2.gz QKPZECOSQRFJAB-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000821745244 607415726 /nfs/dbraw/zinc/41/57/26/607415726.db2.gz LPSBCYCVUDVGCF-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000821745244 607415728 /nfs/dbraw/zinc/41/57/28/607415728.db2.gz LPSBCYCVUDVGCF-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000821745459 607417048 /nfs/dbraw/zinc/41/70/48/607417048.db2.gz XBJNBSHGYKCMRU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000821745459 607417050 /nfs/dbraw/zinc/41/70/50/607417050.db2.gz XBJNBSHGYKCMRU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000826159181 607464770 /nfs/dbraw/zinc/46/47/70/607464770.db2.gz VOBWXMJGKXZEBV-UHFFFAOYSA-N -1 3 390.350 2.706 20 5 GFBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000826159181 607464771 /nfs/dbraw/zinc/46/47/71/607464771.db2.gz VOBWXMJGKXZEBV-UHFFFAOYSA-N -1 3 390.350 2.706 20 5 GFBDHM COc1cc2c(cc1CNc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000821727974 607470042 /nfs/dbraw/zinc/47/00/42/607470042.db2.gz QBKUXBJJIOSMKQ-SNVBAGLBSA-N -1 3 382.380 2.719 20 5 GFBDHM COc1cc2c(cc1CNc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000821727974 607470043 /nfs/dbraw/zinc/47/00/43/607470043.db2.gz QBKUXBJJIOSMKQ-SNVBAGLBSA-N -1 3 382.380 2.719 20 5 GFBDHM C[C@@H]1CN(CCCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828451624 601591721 /nfs/dbraw/zinc/59/17/21/601591721.db2.gz VCZYANRNKRVAJS-JKUMZLIPSA-N -1 3 377.441 2.994 20 5 GFBDHM Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000832911226 601731366 /nfs/dbraw/zinc/73/13/66/601731366.db2.gz IUYAAEWKZYJXTH-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740174737 602432541 /nfs/dbraw/zinc/43/25/41/602432541.db2.gz LENXDGOXKTYVHY-SCLBCKFNSA-N -1 3 378.429 2.648 20 5 GFBDHM COc1ccc(OCCN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500441 604040988 /nfs/dbraw/zinc/04/09/88/604040988.db2.gz KKMAONYBCBGVBQ-ZBFHGGJFSA-N -1 3 393.440 2.837 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1cccc(Cl)c1 ZINC000823511953 606106201 /nfs/dbraw/zinc/10/62/01/606106201.db2.gz JNNDSBDJHNYSCI-HNNXBMFYSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1cccc(Cl)c1 ZINC000823511953 606106202 /nfs/dbraw/zinc/10/62/02/606106202.db2.gz JNNDSBDJHNYSCI-HNNXBMFYSA-N -1 3 399.798 2.646 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822228898 606444038 /nfs/dbraw/zinc/44/40/38/606444038.db2.gz IKKRJRSKYFWDIK-ZDUSSCGKSA-N -1 3 395.423 2.986 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822228898 606444039 /nfs/dbraw/zinc/44/40/39/606444039.db2.gz IKKRJRSKYFWDIK-ZDUSSCGKSA-N -1 3 395.423 2.986 20 5 GFBDHM O=Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000823556810 606590588 /nfs/dbraw/zinc/59/05/88/606590588.db2.gz AHCGRHDIVYAOID-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM O=Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000823556810 606590590 /nfs/dbraw/zinc/59/05/90/606590590.db2.gz AHCGRHDIVYAOID-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821845864 606597328 /nfs/dbraw/zinc/59/73/28/606597328.db2.gz KOSBAWMDLQNWAE-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821845864 606597329 /nfs/dbraw/zinc/59/73/29/606597329.db2.gz KOSBAWMDLQNWAE-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919961 606685591 /nfs/dbraw/zinc/68/55/91/606685591.db2.gz IGEYJRFXTMAXKX-CQSZACIVSA-N -1 3 388.334 2.934 20 5 GFBDHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919961 606685592 /nfs/dbraw/zinc/68/55/92/606685592.db2.gz IGEYJRFXTMAXKX-CQSZACIVSA-N -1 3 388.334 2.934 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC000823644648 606728649 /nfs/dbraw/zinc/72/86/49/606728649.db2.gz JVUWNNQKWPIPAX-XFJVYGCCSA-N -1 3 381.396 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC000823644648 606728652 /nfs/dbraw/zinc/72/86/52/606728652.db2.gz JVUWNNQKWPIPAX-XFJVYGCCSA-N -1 3 381.396 2.693 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000821613505 606786574 /nfs/dbraw/zinc/78/65/74/606786574.db2.gz QGLOIIMBBDKOCS-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000821613505 606786576 /nfs/dbraw/zinc/78/65/76/606786576.db2.gz QGLOIIMBBDKOCS-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821615571 606994132 /nfs/dbraw/zinc/99/41/32/606994132.db2.gz CMIPTFJNEVYQGX-UHFFFAOYSA-N -1 3 396.407 2.591 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821615571 606994133 /nfs/dbraw/zinc/99/41/33/606994133.db2.gz CMIPTFJNEVYQGX-UHFFFAOYSA-N -1 3 396.407 2.591 20 5 GFBDHM Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1C ZINC000826290132 607968959 /nfs/dbraw/zinc/96/89/59/607968959.db2.gz BWWCABVBBSCYQT-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1C ZINC000826290132 607968960 /nfs/dbraw/zinc/96/89/60/607968960.db2.gz BWWCABVBBSCYQT-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1[N+](=O)[O-] ZINC000826261163 608570118 /nfs/dbraw/zinc/57/01/18/608570118.db2.gz UECNLQUTKXEFNV-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1cc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1[N+](=O)[O-] ZINC000826261163 608570120 /nfs/dbraw/zinc/57/01/20/608570120.db2.gz UECNLQUTKXEFNV-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM CC(C)[C@@H](O)C1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824199368 608586330 /nfs/dbraw/zinc/58/63/30/608586330.db2.gz IQZIDRUVOCESPU-MRXNPFEDSA-N -1 3 383.412 2.532 20 5 GFBDHM CC(C)[C@@H](O)C1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000824199368 608586332 /nfs/dbraw/zinc/58/63/32/608586332.db2.gz IQZIDRUVOCESPU-MRXNPFEDSA-N -1 3 383.412 2.532 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826498071 608866663 /nfs/dbraw/zinc/86/66/63/608866663.db2.gz GSIYQAJNIITDLS-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826498071 608866666 /nfs/dbraw/zinc/86/66/66/608866666.db2.gz GSIYQAJNIITDLS-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826419291 609340846 /nfs/dbraw/zinc/34/08/46/609340846.db2.gz RGYSMMCZDJJMAM-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826419291 609340849 /nfs/dbraw/zinc/34/08/49/609340849.db2.gz RGYSMMCZDJJMAM-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434886 660656330 /nfs/dbraw/zinc/65/63/30/660656330.db2.gz NWAUAELCYSRJMP-SECBINFHSA-N -1 3 382.269 2.522 20 5 GFBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OC ZINC000831823186 660729292 /nfs/dbraw/zinc/72/92/92/660729292.db2.gz RLMCYIDYPZRKLJ-BXKDBHETSA-N -1 3 395.275 2.697 20 5 GFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000104745509 655085395 /nfs/dbraw/zinc/08/53/95/655085395.db2.gz RPTGFRWJISWLPA-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000108404539 655132005 /nfs/dbraw/zinc/13/20/05/655132005.db2.gz UEJBARKVGKPXDG-UHFFFAOYSA-N -1 3 375.859 2.843 20 5 GFBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000108873837 655138894 /nfs/dbraw/zinc/13/88/94/655138894.db2.gz GJOBMZXGJPOJOR-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000109389535 655145964 /nfs/dbraw/zinc/14/59/64/655145964.db2.gz OJNQWOXYKAYULK-LBPRGKRZSA-N -1 3 375.878 2.647 20 5 GFBDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000116460950 655248147 /nfs/dbraw/zinc/24/81/47/655248147.db2.gz DXEJSHKMHLDCRV-UHFFFAOYSA-N -1 3 389.842 2.535 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2OC1 ZINC000510445116 655417737 /nfs/dbraw/zinc/41/77/37/655417737.db2.gz YTIPRYQZCXFUPY-ZDUSSCGKSA-N -1 3 382.825 2.920 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000725821978 655526885 /nfs/dbraw/zinc/52/68/85/655526885.db2.gz PPKUPSFKOIODFT-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788416053 657712192 /nfs/dbraw/zinc/71/21/92/657712192.db2.gz JFFHGSOUZKBINH-JTQLQIEISA-N -1 3 381.273 2.530 20 5 GFBDHM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000796007927 658879916 /nfs/dbraw/zinc/87/99/16/658879916.db2.gz GSARPONROHNOAA-OAHLLOKOSA-N -1 3 384.841 2.823 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000813713653 660061591 /nfs/dbraw/zinc/06/15/91/660061591.db2.gz PBUTWVCQUXCUIL-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419786 661720604 /nfs/dbraw/zinc/72/06/04/661720604.db2.gz OXOONJOTDROCCT-SECBINFHSA-N -1 3 379.841 2.538 20 5 GFBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055620512 551173495 /nfs/dbraw/zinc/17/34/95/551173495.db2.gz ARGLAXCDBIBWCJ-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000163526050 551620683 /nfs/dbraw/zinc/62/06/83/551620683.db2.gz CAKAOBMCXRIZIX-UHFFFAOYSA-N -1 3 395.384 2.732 20 5 GFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000173963035 552095855 /nfs/dbraw/zinc/09/58/55/552095855.db2.gz OCQONVKIQWDHFD-UHFFFAOYSA-N -1 3 380.760 2.627 20 5 GFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000178953684 552180149 /nfs/dbraw/zinc/18/01/49/552180149.db2.gz ZGONPVOAFYSGAL-HNNXBMFYSA-N -1 3 381.479 2.973 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ncccc2Cl)c1[N+](=O)[O-] ZINC000190074044 552486820 /nfs/dbraw/zinc/48/68/20/552486820.db2.gz ICVHIOKSSQJBKU-UHFFFAOYSA-N -1 3 385.829 2.617 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246574313 553110155 /nfs/dbraw/zinc/11/01/55/553110155.db2.gz IIYPMWFMUIHBEJ-HIBRMCEJSA-N -1 3 394.902 2.606 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1Cl ZINC000373088040 563328724 /nfs/dbraw/zinc/32/87/24/563328724.db2.gz OCQBCLMYXVTGSD-UHFFFAOYSA-N -1 3 379.785 2.834 20 5 GFBDHM O=C(NCCNc1cc(Br)ccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000301678283 563410372 /nfs/dbraw/zinc/41/03/72/563410372.db2.gz QWAWLBRXJPWOBI-UHFFFAOYSA-N -1 3 380.198 2.905 20 5 GFBDHM CN1C(=O)CCc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000302165728 563422125 /nfs/dbraw/zinc/42/21/25/563422125.db2.gz KTXPTSYSXBKWLT-UHFFFAOYSA-N -1 3 381.435 2.712 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1cccs1 ZINC000326804181 563455901 /nfs/dbraw/zinc/45/59/01/563455901.db2.gz CYUHRQJDQHBHMS-LBPRGKRZSA-N -1 3 384.435 2.873 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000330553350 563510282 /nfs/dbraw/zinc/51/02/82/563510282.db2.gz YKRNEXKVXLQQNN-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000416438373 563828796 /nfs/dbraw/zinc/82/87/96/563828796.db2.gz JZTLBQVWUVSNKJ-CMPLNLGQSA-N -1 3 382.360 2.850 20 5 GFBDHM CSCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447014256 563872549 /nfs/dbraw/zinc/87/25/49/563872549.db2.gz BRKWODQUFZPFLD-UHFFFAOYSA-N -1 3 383.289 2.779 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)c(F)c1 ZINC000541312335 564274120 /nfs/dbraw/zinc/27/41/20/564274120.db2.gz SVSZKECHFXTHQN-UHFFFAOYSA-N -1 3 378.303 2.672 20 5 GFBDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000474392862 564276907 /nfs/dbraw/zinc/27/69/07/564276907.db2.gz OTYRGYYVQAPOGH-LBPRGKRZSA-N -1 3 395.275 2.697 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451653450 564336473 /nfs/dbraw/zinc/33/64/73/564336473.db2.gz MNVMHOPFJVSCGI-LLVKDONJSA-N -1 3 384.376 2.847 20 5 GFBDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831339 564357338 /nfs/dbraw/zinc/35/73/38/564357338.db2.gz ZNAGQUFLDJVFTL-RISCZKNCSA-N -1 3 376.862 2.978 20 5 GFBDHM CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCCC1 ZINC000567169248 564360281 /nfs/dbraw/zinc/36/02/81/564360281.db2.gz KOOMFCFNTJTVFO-KBPBESRZSA-N -1 3 385.873 2.606 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000511379958 564369752 /nfs/dbraw/zinc/36/97/52/564369752.db2.gz GFJXGODPYHKPAC-UHFFFAOYSA-N -1 3 386.323 2.753 20 5 GFBDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000527077056 564729434 /nfs/dbraw/zinc/72/94/34/564729434.db2.gz BAXPWEDUVYHRIT-HNNXBMFYSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000581566001 564807854 /nfs/dbraw/zinc/80/78/54/564807854.db2.gz QLIQQZAGUVMADS-RKDXNWHRSA-N -1 3 381.223 2.835 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000582025317 564827432 /nfs/dbraw/zinc/82/74/32/564827432.db2.gz JGQCRQRPZSAWRO-LLVKDONJSA-N -1 3 386.788 2.669 20 5 GFBDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466522303 564942693 /nfs/dbraw/zinc/94/26/93/564942693.db2.gz KWOQKYQAKNOSFE-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061745 564954442 /nfs/dbraw/zinc/95/44/42/564954442.db2.gz BQVNUGOTSBDKTI-ZBFHGGJFSA-N -1 3 382.463 2.982 20 5 GFBDHM Cn1ncc2c1nc(Sc1ccc(Br)cc1[N+](=O)[O-])[n-]c2=O ZINC000536648039 565043203 /nfs/dbraw/zinc/04/32/03/565043203.db2.gz YCLQKDDMCMCFEI-UHFFFAOYSA-N -1 3 382.199 2.891 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cs1 ZINC000598602808 565629309 /nfs/dbraw/zinc/62/93/09/565629309.db2.gz BTQBCMXLCHXBAS-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM Cc1c([N-]C(=O)c2noc3c2COCC3)cc(Br)cc1[N+](=O)[O-] ZINC000598935967 565650554 /nfs/dbraw/zinc/65/05/54/565650554.db2.gz IGYSJGHQUOUTLS-UHFFFAOYSA-N -1 3 382.170 2.979 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCCC1 ZINC000599392107 565675887 /nfs/dbraw/zinc/67/58/87/565675887.db2.gz RCFCMVYYHMCVIK-ZDUSSCGKSA-N -1 3 387.889 2.934 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000613477033 566199263 /nfs/dbraw/zinc/19/92/63/566199263.db2.gz IEKAFDKCRXPHLN-UHFFFAOYSA-N -1 3 384.332 3.000 20 5 GFBDHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735580807 598831825 /nfs/dbraw/zinc/83/18/25/598831825.db2.gz LXHNLVDOYRSZOR-UHFFFAOYSA-N -1 3 384.371 2.508 20 5 GFBDHM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735580807 598831827 /nfs/dbraw/zinc/83/18/27/598831827.db2.gz LXHNLVDOYRSZOR-UHFFFAOYSA-N -1 3 384.371 2.508 20 5 GFBDHM O=[N+]([O-])c1ccc(CCCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738358256 598854808 /nfs/dbraw/zinc/85/48/08/598854808.db2.gz DAXQXTYGMRYAHK-UHFFFAOYSA-N -1 3 384.356 2.513 20 5 GFBDHM O=[N+]([O-])c1ccc(CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000738358256 598854810 /nfs/dbraw/zinc/85/48/10/598854810.db2.gz DAXQXTYGMRYAHK-UHFFFAOYSA-N -1 3 384.356 2.513 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736188759 598859163 /nfs/dbraw/zinc/85/91/63/598859163.db2.gz PVDMPIVGMNCSEH-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736188759 598859164 /nfs/dbraw/zinc/85/91/64/598859164.db2.gz PVDMPIVGMNCSEH-JTQLQIEISA-N -1 3 379.336 2.965 20 5 GFBDHM Cc1cccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000737383494 598885685 /nfs/dbraw/zinc/88/56/85/598885685.db2.gz ALCNLYCBMMUBEG-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000737383494 598885687 /nfs/dbraw/zinc/88/56/87/598885687.db2.gz ALCNLYCBMMUBEG-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM CC(C)Oc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735915276 599170849 /nfs/dbraw/zinc/17/08/49/599170849.db2.gz OFJYLUPTASSQIY-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735915276 599170851 /nfs/dbraw/zinc/17/08/51/599170851.db2.gz OFJYLUPTASSQIY-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737967981 599180976 /nfs/dbraw/zinc/18/09/76/599180976.db2.gz BWWNBODXNWWXOK-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737967981 599180979 /nfs/dbraw/zinc/18/09/79/599180979.db2.gz BWWNBODXNWWXOK-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736109826 599246033 /nfs/dbraw/zinc/24/60/33/599246033.db2.gz ACXCOOIQQKISAQ-JTQLQIEISA-N -1 3 386.799 2.848 20 5 GFBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736109826 599246035 /nfs/dbraw/zinc/24/60/35/599246035.db2.gz ACXCOOIQQKISAQ-JTQLQIEISA-N -1 3 386.799 2.848 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735662859 598280539 /nfs/dbraw/zinc/28/05/39/598280539.db2.gz ZLMXDVYRUDGPHQ-UHFFFAOYSA-N -1 3 384.400 2.653 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735662859 598280540 /nfs/dbraw/zinc/28/05/40/598280540.db2.gz ZLMXDVYRUDGPHQ-UHFFFAOYSA-N -1 3 384.400 2.653 20 5 GFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000736750446 598282015 /nfs/dbraw/zinc/28/20/15/598282015.db2.gz XODIVWFRAPRFOR-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000736750446 598282016 /nfs/dbraw/zinc/28/20/16/598282016.db2.gz XODIVWFRAPRFOR-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736153761 598331262 /nfs/dbraw/zinc/33/12/62/598331262.db2.gz ZPEXSZDRIYEDCM-GFCCVEGCSA-N -1 3 383.364 2.848 20 5 GFBDHM C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736153761 598331263 /nfs/dbraw/zinc/33/12/63/598331263.db2.gz ZPEXSZDRIYEDCM-GFCCVEGCSA-N -1 3 383.364 2.848 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000735655376 598489606 /nfs/dbraw/zinc/48/96/06/598489606.db2.gz NHMCXUOJYCGKQB-TWGQIWQCSA-N -1 3 381.396 2.983 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000735655376 598489608 /nfs/dbraw/zinc/48/96/08/598489608.db2.gz NHMCXUOJYCGKQB-TWGQIWQCSA-N -1 3 381.396 2.983 20 5 GFBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000737316424 598546613 /nfs/dbraw/zinc/54/66/13/598546613.db2.gz VXHPBEKGDDCBSQ-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000737316424 598546614 /nfs/dbraw/zinc/54/66/14/598546614.db2.gz VXHPBEKGDDCBSQ-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737368318 598619023 /nfs/dbraw/zinc/61/90/23/598619023.db2.gz IEAVUVDTKIZYFT-UHFFFAOYSA-N -1 3 386.343 2.630 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737368318 598619025 /nfs/dbraw/zinc/61/90/25/598619025.db2.gz IEAVUVDTKIZYFT-UHFFFAOYSA-N -1 3 386.343 2.630 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738370227 598792586 /nfs/dbraw/zinc/79/25/86/598792586.db2.gz RWWOGTUXWRLARG-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738370227 598792587 /nfs/dbraw/zinc/79/25/87/598792587.db2.gz RWWOGTUXWRLARG-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821400628 599401553 /nfs/dbraw/zinc/40/15/53/599401553.db2.gz MRKBVJXFSQHXQN-JTQLQIEISA-N -1 3 397.395 2.504 20 5 GFBDHM CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821400628 599401556 /nfs/dbraw/zinc/40/15/56/599401556.db2.gz MRKBVJXFSQHXQN-JTQLQIEISA-N -1 3 397.395 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000823634074 599487090 /nfs/dbraw/zinc/48/70/90/599487090.db2.gz AQMXSBOODSWTMU-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000823634074 599487091 /nfs/dbraw/zinc/48/70/91/599487091.db2.gz AQMXSBOODSWTMU-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000736603633 599520060 /nfs/dbraw/zinc/52/00/60/599520060.db2.gz ZURFFTYXSGBIQS-JTQLQIEISA-N -1 3 383.368 2.520 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000736603633 599520062 /nfs/dbraw/zinc/52/00/62/599520062.db2.gz ZURFFTYXSGBIQS-JTQLQIEISA-N -1 3 383.368 2.520 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333868 599521654 /nfs/dbraw/zinc/52/16/54/599521654.db2.gz HSOPWFILIJCMGV-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333868 599521657 /nfs/dbraw/zinc/52/16/57/599521657.db2.gz HSOPWFILIJCMGV-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823115460 599633922 /nfs/dbraw/zinc/63/39/22/599633922.db2.gz OLHBBEKPMOHJFK-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823115460 599633923 /nfs/dbraw/zinc/63/39/23/599633923.db2.gz OLHBBEKPMOHJFK-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM CC(C)OCCN1CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827027802 601335111 /nfs/dbraw/zinc/33/51/11/601335111.db2.gz XUHXRKKDGHRHJI-UHFFFAOYSA-N -1 3 396.400 2.503 20 5 GFBDHM COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826203937 607549175 /nfs/dbraw/zinc/54/91/75/607549175.db2.gz NGHFJWLJFGOICY-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826203937 607549176 /nfs/dbraw/zinc/54/91/76/607549176.db2.gz NGHFJWLJFGOICY-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740174738 602432656 /nfs/dbraw/zinc/43/26/56/602432656.db2.gz LENXDGOXKTYVHY-UGSOOPFHSA-N -1 3 378.429 2.648 20 5 GFBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623060 606242486 /nfs/dbraw/zinc/24/24/86/606242486.db2.gz DGXGCEUIYNJSBT-CRAIPNDOSA-N -1 3 383.412 2.676 20 5 GFBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623060 606242488 /nfs/dbraw/zinc/24/24/88/606242488.db2.gz DGXGCEUIYNJSBT-CRAIPNDOSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](CO)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644055 606478285 /nfs/dbraw/zinc/47/82/85/606478285.db2.gz FAWZNXNJFBCGKB-CYBMUJFWSA-N -1 3 391.391 2.511 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](CO)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644055 606478287 /nfs/dbraw/zinc/47/82/87/606478287.db2.gz FAWZNXNJFBCGKB-CYBMUJFWSA-N -1 3 391.391 2.511 20 5 GFBDHM COc1cccc(N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)c1 ZINC000821873172 606645452 /nfs/dbraw/zinc/64/54/52/606645452.db2.gz SGDWAZACROJNLL-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM Cc1nc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ccc1[N+](=O)[O-] ZINC000822449499 606709043 /nfs/dbraw/zinc/70/90/43/606709043.db2.gz BQRLERYMYDQESV-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1nc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccc1[N+](=O)[O-] ZINC000822449499 606709045 /nfs/dbraw/zinc/70/90/45/606709045.db2.gz BQRLERYMYDQESV-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1[N+](=O)[O-] ZINC000822266573 606713231 /nfs/dbraw/zinc/71/32/31/606713231.db2.gz CXOAEZFRUDSGGZ-UHFFFAOYSA-N -1 3 394.800 2.538 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccc(C(F)(F)F)cn1 ZINC000823630545 606723519 /nfs/dbraw/zinc/72/35/19/606723519.db2.gz ZYWOESBOXUYVMT-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccc(C(F)(F)F)cn1 ZINC000823630545 606723521 /nfs/dbraw/zinc/72/35/21/606723521.db2.gz ZYWOESBOXUYVMT-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM Cc1c(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822026974 606755565 /nfs/dbraw/zinc/75/55/65/606755565.db2.gz BRUUQVZSJHPQBY-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1c(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822026974 606755566 /nfs/dbraw/zinc/75/55/66/606755566.db2.gz BRUUQVZSJHPQBY-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823405528 606949043 /nfs/dbraw/zinc/94/90/43/606949043.db2.gz SSCIZJIIUGBCNM-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823405528 606949045 /nfs/dbraw/zinc/94/90/45/606949045.db2.gz SSCIZJIIUGBCNM-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000821122945 607043190 /nfs/dbraw/zinc/04/31/90/607043190.db2.gz CVSJGQFMJDOBMH-UHFFFAOYSA-N -1 3 382.384 2.553 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822270949 607125941 /nfs/dbraw/zinc/12/59/41/607125941.db2.gz FIHGSRXBFHPIQR-UHFFFAOYSA-N -1 3 387.787 2.787 20 5 GFBDHM Cc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1[N+](=O)[O-] ZINC000826300059 607863220 /nfs/dbraw/zinc/86/32/20/607863220.db2.gz GQWQXAIDSFQMQV-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1[N+](=O)[O-] ZINC000826300059 607863221 /nfs/dbraw/zinc/86/32/21/607863221.db2.gz GQWQXAIDSFQMQV-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824770443 608069675 /nfs/dbraw/zinc/06/96/75/608069675.db2.gz KMSOZZCDCCGXMA-UGSOOPFHSA-N -1 3 380.408 2.909 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824770443 608069676 /nfs/dbraw/zinc/06/96/76/608069676.db2.gz KMSOZZCDCCGXMA-UGSOOPFHSA-N -1 3 380.408 2.909 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826427890 608108201 /nfs/dbraw/zinc/10/82/01/608108201.db2.gz GBNNLLBNTZEWOZ-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826427890 608108202 /nfs/dbraw/zinc/10/82/02/608108202.db2.gz GBNNLLBNTZEWOZ-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM CC(=O)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000824029891 608160647 /nfs/dbraw/zinc/16/06/47/608160647.db2.gz TVWXIKODIIUJKK-UHFFFAOYSA-N -1 3 386.755 2.883 20 5 GFBDHM CC(=O)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000824029891 608160648 /nfs/dbraw/zinc/16/06/48/608160648.db2.gz TVWXIKODIIUJKK-UHFFFAOYSA-N -1 3 386.755 2.883 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)COC2 ZINC000826451081 608162579 /nfs/dbraw/zinc/16/25/79/608162579.db2.gz PHSBCCFTFBXGSH-UHFFFAOYSA-N -1 3 386.755 2.711 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)COC2 ZINC000826451081 608162580 /nfs/dbraw/zinc/16/25/80/608162580.db2.gz PHSBCCFTFBXGSH-UHFFFAOYSA-N -1 3 386.755 2.711 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(Br)cncc1[N+](=O)[O-] ZINC000825962375 608272386 /nfs/dbraw/zinc/27/23/86/608272386.db2.gz YFNMEOOZEDZUNS-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(Br)cncc1[N+](=O)[O-] ZINC000825962375 608272388 /nfs/dbraw/zinc/27/23/88/608272388.db2.gz YFNMEOOZEDZUNS-UHFFFAOYSA-N -1 3 390.201 2.569 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000826171900 608345742 /nfs/dbraw/zinc/34/57/42/608345742.db2.gz DKVCGAXIDSHPLK-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000826171900 608345744 /nfs/dbraw/zinc/34/57/44/608345744.db2.gz DKVCGAXIDSHPLK-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM Cn1ncc2c1CCC[C@H]2Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366661 608366297 /nfs/dbraw/zinc/36/62/97/608366297.db2.gz SIGOIRLUKHISRW-CQSZACIVSA-N -1 3 391.395 2.546 20 5 GFBDHM Cn1ncc2c1CCC[C@H]2Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366661 608366299 /nfs/dbraw/zinc/36/62/99/608366299.db2.gz SIGOIRLUKHISRW-CQSZACIVSA-N -1 3 391.395 2.546 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824487884 608417676 /nfs/dbraw/zinc/41/76/76/608417676.db2.gz CVPXQDOZOVATHT-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824487884 608417678 /nfs/dbraw/zinc/41/76/78/608417678.db2.gz CVPXQDOZOVATHT-RYUDHWBXSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826400913 608572283 /nfs/dbraw/zinc/57/22/83/608572283.db2.gz KYQLZHLGVUWSKG-YFHOEESVSA-N -1 3 391.391 2.701 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826400913 608572284 /nfs/dbraw/zinc/57/22/84/608572284.db2.gz KYQLZHLGVUWSKG-YFHOEESVSA-N -1 3 391.391 2.701 20 5 GFBDHM COc1ccc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1-c1nnn[n-]1 ZINC000826208655 609313082 /nfs/dbraw/zinc/31/30/82/609313082.db2.gz ULVFPUMYSCAALC-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1-c1nn[n-]n1 ZINC000826208655 609313084 /nfs/dbraw/zinc/31/30/84/609313084.db2.gz ULVFPUMYSCAALC-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC([C@H]4CCOC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499263 609591987 /nfs/dbraw/zinc/59/19/87/609591987.db2.gz BRHFOEMPYCAWEN-ZDUSSCGKSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC([C@H]4CCOC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499263 609591989 /nfs/dbraw/zinc/59/19/89/609591989.db2.gz BRHFOEMPYCAWEN-ZDUSSCGKSA-N -1 3 395.423 2.576 20 5 GFBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832691232 660795671 /nfs/dbraw/zinc/79/56/71/660795671.db2.gz OCHCAWNUZFVIQB-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832750763 660798096 /nfs/dbraw/zinc/79/80/96/660798096.db2.gz BOUCWISEVZTQCF-UHFFFAOYSA-N -1 3 379.841 2.540 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000027969535 654567894 /nfs/dbraw/zinc/56/78/94/654567894.db2.gz GRXFIMQEVRULLX-NSHDSACASA-N -1 3 384.435 2.547 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCS1 ZINC000126200734 654810158 /nfs/dbraw/zinc/81/01/58/654810158.db2.gz SRCKFQIOYIOZRS-GFCCVEGCSA-N -1 3 395.300 2.921 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000153921699 655071817 /nfs/dbraw/zinc/07/18/17/655071817.db2.gz VISUEXYORVWUNN-OAHLLOKOSA-N -1 3 388.804 2.573 20 5 GFBDHM Cc1c(Br)cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000473852904 655414945 /nfs/dbraw/zinc/41/49/45/655414945.db2.gz VOUSAVYUBPZVKV-ZDUSSCGKSA-N -1 3 395.213 2.915 20 5 GFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000265720293 655489293 /nfs/dbraw/zinc/48/92/93/655489293.db2.gz MGJHPBSKTYPDKF-UHFFFAOYSA-N -1 3 384.801 2.848 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCSCC2)c1 ZINC000742296772 655714501 /nfs/dbraw/zinc/71/45/01/655714501.db2.gz IYMMKHWXEBMPPB-UHFFFAOYSA-N -1 3 395.300 2.779 20 5 GFBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742331604 655716196 /nfs/dbraw/zinc/71/61/96/655716196.db2.gz YUYLCNXLKJLCNA-WCBMZHEXSA-N -1 3 395.300 2.920 20 5 GFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000791417428 658094259 /nfs/dbraw/zinc/09/42/59/658094259.db2.gz NPHCGILUJUTQCH-UHFFFAOYSA-N -1 3 392.220 2.784 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000798226332 659085103 /nfs/dbraw/zinc/08/51/03/659085103.db2.gz HYPAIGRLCKUTBI-NSHDSACASA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035616 660105351 /nfs/dbraw/zinc/10/53/51/660105351.db2.gz NPWYUPRJILRXHG-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000849415394 661719818 /nfs/dbraw/zinc/71/98/18/661719818.db2.gz OIMVAWINORIJEB-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000120910972 677398258 /nfs/dbraw/zinc/39/82/58/677398258.db2.gz LKCUOXPSGPCQRW-CYBMUJFWSA-N -1 3 391.232 2.914 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c(F)c1 ZINC000051157314 551162460 /nfs/dbraw/zinc/16/24/60/551162460.db2.gz LRPWBHFCYZBKRD-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000160998278 551588376 /nfs/dbraw/zinc/58/83/76/551588376.db2.gz ZQWJMMRURJAEDB-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccn2)c(C(F)(F)F)c1 ZINC000162687796 551611459 /nfs/dbraw/zinc/61/14/59/551611459.db2.gz UKOSXVMFPITBAJ-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000186887451 552400769 /nfs/dbraw/zinc/40/07/69/552400769.db2.gz DWJRMVWUPNGDSW-QMMMGPOBSA-N -1 3 375.403 2.547 20 5 GFBDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000189509022 552473813 /nfs/dbraw/zinc/47/38/13/552473813.db2.gz KNRSBZGEAUFERD-UHFFFAOYSA-N -1 3 387.211 2.888 20 5 GFBDHM CN(C)S(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000192843199 552975731 /nfs/dbraw/zinc/97/57/31/552975731.db2.gz LNMARNVAIUWWLW-UHFFFAOYSA-N -1 3 389.842 2.812 20 5 GFBDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000246542672 553109391 /nfs/dbraw/zinc/10/93/91/553109391.db2.gz GFPFYZQGNLSVRZ-CDEUHXGRSA-N -1 3 388.511 2.570 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(Br)c1 ZINC000447032413 563872696 /nfs/dbraw/zinc/87/26/96/563872696.db2.gz XTLLTTHSPMKHIX-JTQLQIEISA-N -1 3 375.244 2.992 20 5 GFBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC(F)(F)CC1 ZINC000425197766 563409953 /nfs/dbraw/zinc/40/99/53/563409953.db2.gz WOWIRYQJLYBNRT-UHFFFAOYSA-N -1 3 396.799 2.921 20 5 GFBDHM O=C(NCCCNc1ncc(Br)cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000301711015 563410765 /nfs/dbraw/zinc/41/07/65/563410765.db2.gz XVVPCOJMHGDSKW-UHFFFAOYSA-N -1 3 395.213 2.690 20 5 GFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000430089679 563532134 /nfs/dbraw/zinc/53/21/34/563532134.db2.gz KULHJSMLWKMNBZ-UHFFFAOYSA-N -1 3 375.182 2.608 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000292827510 563796776 /nfs/dbraw/zinc/79/67/76/563796776.db2.gz OLGOQJTWDDBDKA-JTQLQIEISA-N -1 3 381.357 2.942 20 5 GFBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453330 563830758 /nfs/dbraw/zinc/83/07/58/563830758.db2.gz CTDHWGSVOVFHPQ-TVQRCGJNSA-N -1 3 384.376 2.689 20 5 GFBDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459465 563831478 /nfs/dbraw/zinc/83/14/78/563831478.db2.gz KOLBKDSNQOUDOM-LBPRGKRZSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000416468217 563833932 /nfs/dbraw/zinc/83/39/32/563833932.db2.gz XYRKIRLHJCCQQJ-JTQLQIEISA-N -1 3 384.845 2.821 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCOC(F)F ZINC000416479027 563835663 /nfs/dbraw/zinc/83/56/63/563835663.db2.gz GPWRYYSEQPWRDN-UHFFFAOYSA-N -1 3 378.275 2.521 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000448103860 563893474 /nfs/dbraw/zinc/89/34/74/563893474.db2.gz XWEIZNIIUYWYSG-SNVBAGLBSA-N -1 3 381.435 2.725 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)CCc1ccccc1 ZINC000541386763 564276668 /nfs/dbraw/zinc/27/66/68/564276668.db2.gz SALYDSGTTASTFG-AWEZNQCLSA-N -1 3 384.841 2.520 20 5 GFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000541834035 564291525 /nfs/dbraw/zinc/29/15/25/564291525.db2.gz WRMKYCPRMOVENF-UHFFFAOYSA-N -1 3 383.455 2.550 20 5 GFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000541834035 564291527 /nfs/dbraw/zinc/29/15/27/564291527.db2.gz WRMKYCPRMOVENF-UHFFFAOYSA-N -1 3 383.455 2.550 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c(Br)c1 ZINC000542240162 564306408 /nfs/dbraw/zinc/30/64/08/564306408.db2.gz LLTHMCIJIACWOF-SNVBAGLBSA-N -1 3 395.300 2.921 20 5 GFBDHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566494972 564329272 /nfs/dbraw/zinc/32/92/72/564329272.db2.gz VJTMFZPSIFUCEM-GFCCVEGCSA-N -1 3 375.878 2.647 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451655952 564336019 /nfs/dbraw/zinc/33/60/19/564336019.db2.gz RNOWVQJXPQQVAY-LLVKDONJSA-N -1 3 384.376 2.847 20 5 GFBDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000914 564379371 /nfs/dbraw/zinc/37/93/71/564379371.db2.gz XGKRXEKPRXEQIY-ISVAXAHUSA-N -1 3 382.360 2.705 20 5 GFBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000915 564379490 /nfs/dbraw/zinc/37/94/90/564379490.db2.gz XGKRXEKPRXEQIY-OQPBUACISA-N -1 3 382.360 2.705 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c(Br)c1 ZINC000452042616 564385998 /nfs/dbraw/zinc/38/59/98/564385998.db2.gz CQDWPISIVIUYJG-ONGXEEELSA-N -1 3 375.244 2.682 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c1 ZINC000547243745 564480287 /nfs/dbraw/zinc/48/02/87/564480287.db2.gz QUMLJOMHMXMZTI-UHFFFAOYSA-N -1 3 397.250 2.803 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480850550 564491472 /nfs/dbraw/zinc/49/14/72/564491472.db2.gz YHVRJAZRAOYSOY-GFCCVEGCSA-N -1 3 384.483 2.578 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000480854898 564491798 /nfs/dbraw/zinc/49/17/98/564491798.db2.gz UXKNLCZTCSBVHQ-OAHLLOKOSA-N -1 3 376.862 2.858 20 5 GFBDHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000551948619 564669916 /nfs/dbraw/zinc/66/99/16/564669916.db2.gz UFRFDELWTHRSHQ-UHFFFAOYSA-N -1 3 380.386 2.853 20 5 GFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000489652175 564747560 /nfs/dbraw/zinc/74/75/60/564747560.db2.gz LXBICYDUZKKZCO-UHFFFAOYSA-N -1 3 385.829 2.647 20 5 GFBDHM Cn1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2cc(Cl)ccc21 ZINC000492332370 564801693 /nfs/dbraw/zinc/80/16/93/564801693.db2.gz GWVOEUQLPVTCNZ-UHFFFAOYSA-N -1 3 386.842 2.675 20 5 GFBDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000494172447 564819179 /nfs/dbraw/zinc/81/91/79/564819179.db2.gz WCFFZVRSABZRQZ-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000467304534 564959911 /nfs/dbraw/zinc/95/99/11/564959911.db2.gz MZWSHZVXVZHTLU-UHFFFAOYSA-N -1 3 387.776 2.595 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467397559 564961680 /nfs/dbraw/zinc/96/16/80/564961680.db2.gz XUTBHCTXVKCFHL-LLVKDONJSA-N -1 3 381.479 2.694 20 5 GFBDHM NC(=O)c1ccc(SCC(=O)Nc2ccc(Cl)cc2[O-])c([N+](=O)[O-])c1 ZINC000533971710 564977366 /nfs/dbraw/zinc/97/73/66/564977366.db2.gz YLPAWDUGEVVYEC-UHFFFAOYSA-N -1 3 381.797 2.784 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2)c(Br)c1 ZINC000468777972 564993595 /nfs/dbraw/zinc/99/35/95/564993595.db2.gz BWRPQQVXXSXLFX-UHFFFAOYSA-N -1 3 385.239 2.878 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)cc1[N+](=O)[O-] ZINC000563058977 565053519 /nfs/dbraw/zinc/05/35/19/565053519.db2.gz PSPPIVTUBXTGBV-SNVBAGLBSA-N -1 3 386.476 2.796 20 5 GFBDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326605 565224054 /nfs/dbraw/zinc/22/40/54/565224054.db2.gz VYFFUTKNPTYHOP-VHSXEESVSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(F)F ZINC000592067586 565251826 /nfs/dbraw/zinc/25/18/26/565251826.db2.gz JWEFALYMMJRMNY-ZETCQYMHSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000618179869 565277564 /nfs/dbraw/zinc/27/75/64/565277564.db2.gz CYFMOWSEPDHYGL-ZDUSSCGKSA-N -1 3 382.825 2.790 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000619490778 565344919 /nfs/dbraw/zinc/34/49/19/565344919.db2.gz GYMIHBCSWRPMCA-NSHDSACASA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1[N+](=O)[O-] ZINC000594851868 565429411 /nfs/dbraw/zinc/42/94/11/565429411.db2.gz FUXFPWWEBQRFFM-KBPBESRZSA-N -1 3 382.463 2.816 20 5 GFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000594852843 565430708 /nfs/dbraw/zinc/43/07/08/565430708.db2.gz UATOBJFDIYAQDM-KOLCDFICSA-N -1 3 393.259 2.593 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738054051 598889409 /nfs/dbraw/zinc/88/94/09/598889409.db2.gz LAYHVVZTVQTEHC-UHFFFAOYSA-N -1 3 381.396 2.919 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738054051 598889410 /nfs/dbraw/zinc/88/94/10/598889410.db2.gz LAYHVVZTVQTEHC-UHFFFAOYSA-N -1 3 381.396 2.919 20 5 GFBDHM CC(C)(C(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000735583021 598903311 /nfs/dbraw/zinc/90/33/11/598903311.db2.gz SQBKSNBBXHIWDL-UHFFFAOYSA-N -1 3 397.391 2.675 20 5 GFBDHM CC(C)(C(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000735583021 598903312 /nfs/dbraw/zinc/90/33/12/598903312.db2.gz SQBKSNBBXHIWDL-UHFFFAOYSA-N -1 3 397.391 2.675 20 5 GFBDHM CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000736651130 599026565 /nfs/dbraw/zinc/02/65/65/599026565.db2.gz MJWLHMQHASLHHH-UHFFFAOYSA-N -1 3 375.366 2.592 20 5 GFBDHM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735707211 599062559 /nfs/dbraw/zinc/06/25/59/599062559.db2.gz HHBUVGFDWMZIFY-AWEZNQCLSA-N -1 3 391.432 2.736 20 5 GFBDHM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735707211 599062562 /nfs/dbraw/zinc/06/25/62/599062562.db2.gz HHBUVGFDWMZIFY-AWEZNQCLSA-N -1 3 391.432 2.736 20 5 GFBDHM Cc1c(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cccc1[N+](=O)[O-] ZINC000737218475 599163849 /nfs/dbraw/zinc/16/38/49/599163849.db2.gz JIVXBBSGSROAKP-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1c(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cccc1[N+](=O)[O-] ZINC000737218475 599163854 /nfs/dbraw/zinc/16/38/54/599163854.db2.gz JIVXBBSGSROAKP-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738371690 599172573 /nfs/dbraw/zinc/17/25/73/599172573.db2.gz WTPMSOSNNZMPCO-CYBMUJFWSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738371690 599172576 /nfs/dbraw/zinc/17/25/76/599172576.db2.gz WTPMSOSNNZMPCO-CYBMUJFWSA-N -1 3 383.387 2.995 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737918484 599186623 /nfs/dbraw/zinc/18/66/23/599186623.db2.gz HDUXVJFRMMKDOQ-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823387019 607304098 /nfs/dbraw/zinc/30/40/98/607304098.db2.gz BDZXXODALAVVGG-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823387019 607304099 /nfs/dbraw/zinc/30/40/99/607304099.db2.gz BDZXXODALAVVGG-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821222430 607305334 /nfs/dbraw/zinc/30/53/34/607305334.db2.gz RNWQOABCIJKCFF-UHFFFAOYSA-N -1 3 395.423 2.503 20 5 GFBDHM CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821222430 607305335 /nfs/dbraw/zinc/30/53/35/607305335.db2.gz RNWQOABCIJKCFF-UHFFFAOYSA-N -1 3 395.423 2.503 20 5 GFBDHM Cc1nc2ccccc2n1CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822462361 607344831 /nfs/dbraw/zinc/34/48/31/607344831.db2.gz HUKRTNWVYJHCNW-UHFFFAOYSA-N -1 3 378.396 2.935 20 5 GFBDHM Cc1nc2ccccc2n1CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822462361 607344832 /nfs/dbraw/zinc/34/48/32/607344832.db2.gz HUKRTNWVYJHCNW-UHFFFAOYSA-N -1 3 378.396 2.935 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634202 607345578 /nfs/dbraw/zinc/34/55/78/607345578.db2.gz CQUDBAWEFZISKW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634202 607345580 /nfs/dbraw/zinc/34/55/80/607345580.db2.gz CQUDBAWEFZISKW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738370220 598274824 /nfs/dbraw/zinc/27/48/24/598274824.db2.gz RQTDYTQDDPJCBG-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738370220 598274826 /nfs/dbraw/zinc/27/48/26/598274826.db2.gz RQTDYTQDDPJCBG-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000738357579 598390351 /nfs/dbraw/zinc/39/03/51/598390351.db2.gz FSSOYHRDDFVNHS-GFCCVEGCSA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000738357579 598390353 /nfs/dbraw/zinc/39/03/53/598390353.db2.gz FSSOYHRDDFVNHS-GFCCVEGCSA-N -1 3 387.350 2.744 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736292533 598500466 /nfs/dbraw/zinc/50/04/66/598500466.db2.gz KDKQONRJPWTQGV-VXGBXAGGSA-N -1 3 396.411 2.527 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736292533 598500468 /nfs/dbraw/zinc/50/04/68/598500468.db2.gz KDKQONRJPWTQGV-VXGBXAGGSA-N -1 3 396.411 2.527 20 5 GFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736140187 598747492 /nfs/dbraw/zinc/74/74/92/598747492.db2.gz ZPLFYOUCKZCGSY-SSDOTTSWSA-N -1 3 385.775 2.873 20 5 GFBDHM O=[N+]([O-])c1cc(F)ccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738361132 598756903 /nfs/dbraw/zinc/75/69/03/598756903.db2.gz VBYHGASMMXAJJE-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccc(F)c(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370256 598797871 /nfs/dbraw/zinc/79/78/71/598797871.db2.gz SWRRGXOZCXJPIB-UHFFFAOYSA-N -1 3 387.350 2.832 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccc(F)c(F)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370256 598797874 /nfs/dbraw/zinc/79/78/74/598797874.db2.gz SWRRGXOZCXJPIB-UHFFFAOYSA-N -1 3 387.350 2.832 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3cccc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823645953 599499467 /nfs/dbraw/zinc/49/94/67/599499467.db2.gz XNUSKYKFVZULNA-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3cccc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823645953 599499468 /nfs/dbraw/zinc/49/94/68/599499468.db2.gz XNUSKYKFVZULNA-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738224451 599499951 /nfs/dbraw/zinc/49/99/51/599499951.db2.gz QYVZLHAQLAXTEG-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270960 599558494 /nfs/dbraw/zinc/55/84/94/599558494.db2.gz FTEAQECFKNXBIE-CYBMUJFWSA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270960 599558496 /nfs/dbraw/zinc/55/84/96/599558496.db2.gz FTEAQECFKNXBIE-CYBMUJFWSA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000826253435 607409573 /nfs/dbraw/zinc/40/95/73/607409573.db2.gz PTAWMDNUUXAIOO-UHFFFAOYSA-N -1 3 382.380 2.629 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000826253435 607409574 /nfs/dbraw/zinc/40/95/74/607409574.db2.gz PTAWMDNUUXAIOO-UHFFFAOYSA-N -1 3 382.380 2.629 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820169186 607427754 /nfs/dbraw/zinc/42/77/54/607427754.db2.gz HGQIVAFEUKWVJF-UHFFFAOYSA-N -1 3 397.395 2.884 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820169186 607427756 /nfs/dbraw/zinc/42/77/56/607427756.db2.gz HGQIVAFEUKWVJF-UHFFFAOYSA-N -1 3 397.395 2.884 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740174735 602432603 /nfs/dbraw/zinc/43/26/03/602432603.db2.gz LENXDGOXKTYVHY-ACJLOTCBSA-N -1 3 378.429 2.648 20 5 GFBDHM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739097074 602432739 /nfs/dbraw/zinc/43/27/39/602432739.db2.gz CSSIVLWIDIBXSA-KZULUSFZSA-N -1 3 379.413 2.767 20 5 GFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826423119 607594518 /nfs/dbraw/zinc/59/45/18/607594518.db2.gz ZGFADIBBNXNHAC-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826423119 607594521 /nfs/dbraw/zinc/59/45/21/607594521.db2.gz ZGFADIBBNXNHAC-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826475618 607630207 /nfs/dbraw/zinc/63/02/07/607630207.db2.gz LQLFROKYRJKOSS-UHFFFAOYSA-N -1 3 399.798 2.628 20 5 GFBDHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826475618 607630209 /nfs/dbraw/zinc/63/02/09/607630209.db2.gz LQLFROKYRJKOSS-UHFFFAOYSA-N -1 3 399.798 2.628 20 5 GFBDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820562316 606143723 /nfs/dbraw/zinc/14/37/23/606143723.db2.gz FJNGHWYNGMFUMM-RNUGCUGFSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820562316 606143724 /nfs/dbraw/zinc/14/37/24/606143724.db2.gz FJNGHWYNGMFUMM-RNUGCUGFSA-N -1 3 386.437 2.710 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203231 606561536 /nfs/dbraw/zinc/56/15/36/606561536.db2.gz JZXIBNMHBMCWKZ-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203231 606561537 /nfs/dbraw/zinc/56/15/37/606561537.db2.gz JZXIBNMHBMCWKZ-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823427115 606994647 /nfs/dbraw/zinc/99/46/47/606994647.db2.gz WXPPVUZWVFLYLK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823427115 606994649 /nfs/dbraw/zinc/99/46/49/606994649.db2.gz WXPPVUZWVFLYLK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000821565276 607036410 /nfs/dbraw/zinc/03/64/10/607036410.db2.gz LTMXCNYHGFQUBZ-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000821565276 607036412 /nfs/dbraw/zinc/03/64/12/607036412.db2.gz LTMXCNYHGFQUBZ-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823065966 607247286 /nfs/dbraw/zinc/24/72/86/607247286.db2.gz HAHPNWPDSLXFKM-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823065966 607247287 /nfs/dbraw/zinc/24/72/87/607247287.db2.gz HAHPNWPDSLXFKM-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM CC(C)c1ccccc1OC[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824352490 607869953 /nfs/dbraw/zinc/86/99/53/607869953.db2.gz FWUBJQUHRXAPTD-CQSZACIVSA-N -1 3 399.407 2.717 20 5 GFBDHM CC(C)c1ccccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824352490 607869954 /nfs/dbraw/zinc/86/99/54/607869954.db2.gz FWUBJQUHRXAPTD-CQSZACIVSA-N -1 3 399.407 2.717 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(-c4nnn[n-]4)cc32)c(Br)c1 ZINC000826500925 607936116 /nfs/dbraw/zinc/93/61/16/607936116.db2.gz RRFZFNIDMORFAV-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCc3ccc(-c4nn[n-]n4)cc32)c(Br)c1 ZINC000826500925 607936117 /nfs/dbraw/zinc/93/61/17/607936117.db2.gz RRFZFNIDMORFAV-UHFFFAOYSA-N -1 3 388.185 2.627 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccco1)Cc1cccnc1 ZINC000826497428 608016544 /nfs/dbraw/zinc/01/65/44/608016544.db2.gz HAKIKIWADFHHKL-UHFFFAOYSA-N -1 3 377.364 2.970 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccco1)Cc1cccnc1 ZINC000826497428 608016545 /nfs/dbraw/zinc/01/65/45/608016545.db2.gz HAKIKIWADFHHKL-UHFFFAOYSA-N -1 3 377.364 2.970 20 5 GFBDHM CC(C)(C)Oc1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC000824119877 608121824 /nfs/dbraw/zinc/12/18/24/608121824.db2.gz RTULOOLILKQOQZ-UHFFFAOYSA-N -1 3 398.427 2.871 20 5 GFBDHM CC(C)(C)Oc1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC000824119877 608121825 /nfs/dbraw/zinc/12/18/25/608121825.db2.gz RTULOOLILKQOQZ-UHFFFAOYSA-N -1 3 398.427 2.871 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000825792843 608179020 /nfs/dbraw/zinc/17/90/20/608179020.db2.gz FVDBPMRXIVYENY-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000825792843 608179021 /nfs/dbraw/zinc/17/90/21/608179021.db2.gz FVDBPMRXIVYENY-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826189842 608239184 /nfs/dbraw/zinc/23/91/84/608239184.db2.gz GXNGXCWDRCCNSA-DIFFPNOSSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826189842 608239186 /nfs/dbraw/zinc/23/91/86/608239186.db2.gz GXNGXCWDRCCNSA-DIFFPNOSSA-N -1 3 384.396 2.972 20 5 GFBDHM Cc1cc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000826270524 608558227 /nfs/dbraw/zinc/55/82/27/608558227.db2.gz DMTILECTWNPVKK-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1cc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)ncc1[N+](=O)[O-] ZINC000826270524 608558229 /nfs/dbraw/zinc/55/82/29/608558229.db2.gz DMTILECTWNPVKK-UHFFFAOYSA-N -1 3 396.411 2.675 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826252382 609331379 /nfs/dbraw/zinc/33/13/79/609331379.db2.gz AXFYJKQQGURBOU-UHFFFAOYSA-N -1 3 389.318 2.919 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826252382 609331381 /nfs/dbraw/zinc/33/13/81/609331381.db2.gz AXFYJKQQGURBOU-UHFFFAOYSA-N -1 3 389.318 2.919 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826263604 609383303 /nfs/dbraw/zinc/38/33/03/609383303.db2.gz JLRHIMGRFOAGCR-UHFFFAOYSA-N -1 3 394.439 2.503 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826263604 609383305 /nfs/dbraw/zinc/38/33/05/609383305.db2.gz JLRHIMGRFOAGCR-UHFFFAOYSA-N -1 3 394.439 2.503 20 5 GFBDHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252572 609597926 /nfs/dbraw/zinc/59/79/26/609597926.db2.gz JIGJXPYYRQFUTD-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252572 609597929 /nfs/dbraw/zinc/59/79/29/609597929.db2.gz JIGJXPYYRQFUTD-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000064243004 654864500 /nfs/dbraw/zinc/86/45/00/654864500.db2.gz IOMYAXOITOEQRK-AWEZNQCLSA-N -1 3 383.495 2.800 20 5 GFBDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119172102 655291827 /nfs/dbraw/zinc/29/18/27/655291827.db2.gz UKVBNLNKJZNXRR-GFCCVEGCSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000725822972 655526923 /nfs/dbraw/zinc/52/69/23/655526923.db2.gz PEBJIOMRKSZKIW-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1 ZINC000742280039 655713811 /nfs/dbraw/zinc/71/38/11/655713811.db2.gz OJRVKWMDRNWYFW-NSHDSACASA-N -1 3 397.250 2.976 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751394478 655826256 /nfs/dbraw/zinc/82/62/56/655826256.db2.gz VRNNYHVOQPYFRK-VFZGTOFNSA-N -1 3 388.804 2.788 20 5 GFBDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000753954238 655861464 /nfs/dbraw/zinc/86/14/64/655861464.db2.gz QYMGMAXTESGMBA-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c1 ZINC000779897795 656959990 /nfs/dbraw/zinc/95/99/90/656959990.db2.gz XSRZGCVFAONFAK-MRXNPFEDSA-N -1 3 384.841 2.743 20 5 GFBDHM O=C([N-]N1CCc2ccccc2C1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000780721128 657025841 /nfs/dbraw/zinc/02/58/41/657025841.db2.gz BGCGAOKLQWKFNV-UHFFFAOYSA-N -1 3 390.193 2.701 20 5 GFBDHM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccn1 ZINC000791419815 658094337 /nfs/dbraw/zinc/09/43/37/658094337.db2.gz DBTGNSIANADPJB-UHFFFAOYSA-N -1 3 392.220 2.784 20 5 GFBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928309 658873765 /nfs/dbraw/zinc/87/37/65/658873765.db2.gz LNNZMNVFVNZOKC-JTQLQIEISA-N -1 3 379.841 2.538 20 5 GFBDHM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000796007922 658879607 /nfs/dbraw/zinc/87/96/07/658879607.db2.gz GSARPONROHNOAA-HNNXBMFYSA-N -1 3 384.841 2.823 20 5 GFBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1C ZINC000811831423 660016273 /nfs/dbraw/zinc/01/62/73/660016273.db2.gz AIZZSWDMNUTPHH-UHFFFAOYSA-N -1 3 387.801 2.564 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000814996339 660100583 /nfs/dbraw/zinc/10/05/83/660100583.db2.gz XCXFNXIAWDCDKH-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033522 660104768 /nfs/dbraw/zinc/10/47/68/660104768.db2.gz JWINBJYGPXEDHT-SNVBAGLBSA-N -1 3 379.841 2.538 20 5 GFBDHM COC1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000841542340 661294448 /nfs/dbraw/zinc/29/44/48/661294448.db2.gz ZPOUNQFETPTTNT-UHFFFAOYSA-N -1 3 393.259 2.593 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000030496559 551127962 /nfs/dbraw/zinc/12/79/62/551127962.db2.gz VXSKDUDFJCEZFI-UHFFFAOYSA-N -1 3 379.419 2.692 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000119421215 551216148 /nfs/dbraw/zinc/21/61/48/551216148.db2.gz CLEVZVTWNRVXIO-UHFFFAOYSA-N -1 3 385.467 2.706 20 5 GFBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121308968 551231910 /nfs/dbraw/zinc/23/19/10/551231910.db2.gz MOWIWXJLOSSGNR-LCHIKPRUSA-N -1 3 388.511 2.570 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000156304785 551519447 /nfs/dbraw/zinc/51/94/47/551519447.db2.gz LGUBWZBIPGDOKG-SECBINFHSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000171415217 551655159 /nfs/dbraw/zinc/65/51/59/551655159.db2.gz DPYGVFORFXUBBH-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000180245797 552219236 /nfs/dbraw/zinc/21/92/36/552219236.db2.gz ORYXVFUDNXTTKS-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185831772 552372195 /nfs/dbraw/zinc/37/21/95/552372195.db2.gz DLPLXHITHUQFHN-SNVBAGLBSA-N -1 3 378.435 2.947 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000246542679 553109461 /nfs/dbraw/zinc/10/94/61/553109461.db2.gz GFPFYZQGNLSVRZ-ICBMNTSNSA-N -1 3 388.511 2.570 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN(C3CC3)C2)c1Cl ZINC000295179961 563233348 /nfs/dbraw/zinc/23/33/48/563233348.db2.gz IKPLSNHRFZASFN-VIFPVBQESA-N -1 3 394.280 2.664 20 5 GFBDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498638 563839349 /nfs/dbraw/zinc/83/93/49/563839349.db2.gz XYSMMIQEXJCSBS-OQPBUACISA-N -1 3 382.360 2.705 20 5 GFBDHM O=C([N-]c1cccc2c1C(=O)NC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000445256679 563847225 /nfs/dbraw/zinc/84/72/25/563847225.db2.gz WYGHZAJLRTWGCJ-UHFFFAOYSA-N -1 3 382.195 2.915 20 5 GFBDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000416610750 563853363 /nfs/dbraw/zinc/85/33/63/563853363.db2.gz AJAJVNNQRKHBNK-VIFPVBQESA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(C)C ZINC000416639467 563856454 /nfs/dbraw/zinc/85/64/54/563856454.db2.gz ASUYHIKCKMJIKW-NSHDSACASA-N -1 3 384.376 2.953 20 5 GFBDHM COc1cc(CNc2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000446947475 563870858 /nfs/dbraw/zinc/87/08/58/563870858.db2.gz GEXQRTUODHSFOZ-UHFFFAOYSA-N -1 3 393.197 2.982 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541246685 564270533 /nfs/dbraw/zinc/27/05/33/564270533.db2.gz QBNUEIPKTLMBMW-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838198 564298847 /nfs/dbraw/zinc/29/88/47/564298847.db2.gz MMBCAXLJHLSVBW-CABZTGNLSA-N -1 3 384.376 2.689 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000542104430 564301357 /nfs/dbraw/zinc/30/13/57/564301357.db2.gz IFMVVNHWRUXRFU-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000511410300 564372026 /nfs/dbraw/zinc/37/20/26/564372026.db2.gz JBVVHTHKXOZUJY-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c(F)c1 ZINC000513849605 564440926 /nfs/dbraw/zinc/44/09/26/564440926.db2.gz BXKAJEAQZGJSGR-UHFFFAOYSA-N -1 3 388.804 2.882 20 5 GFBDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000569070770 564447313 /nfs/dbraw/zinc/44/73/13/564447313.db2.gz UHBXIANPWVSUMV-QHCPKHFHSA-N -1 3 388.854 2.928 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1 ZINC000546884785 564472650 /nfs/dbraw/zinc/47/26/50/564472650.db2.gz YFXNZBFPBGYDON-UHFFFAOYSA-N -1 3 382.360 2.601 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)O ZINC000480880737 564492950 /nfs/dbraw/zinc/49/29/50/564492950.db2.gz JAGXVOPYPKMLAS-LBPRGKRZSA-N -1 3 384.376 2.687 20 5 GFBDHM C[C@@H]1C[C@@H](C)CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658159 564559577 /nfs/dbraw/zinc/55/95/77/564559577.db2.gz SNNOIUNGPZDPNC-CHWSQXEVSA-N -1 3 389.905 2.895 20 5 GFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000518786435 564562551 /nfs/dbraw/zinc/56/25/51/564562551.db2.gz DWYMYYQBHNSOGA-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCN(C2CCCC2)CC1 ZINC000484773933 564598058 /nfs/dbraw/zinc/59/80/58/564598058.db2.gz CJKQTILZNDCBKN-UHFFFAOYSA-N -1 3 387.889 2.934 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(Br)c1 ZINC000521654883 564633426 /nfs/dbraw/zinc/63/34/26/564633426.db2.gz BZNJFRSWHNBLDH-SECBINFHSA-N -1 3 395.300 2.779 20 5 GFBDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC000467052240 564954248 /nfs/dbraw/zinc/95/42/48/564954248.db2.gz WTPIQTHVUWLGIN-ZANVPECISA-N -1 3 392.499 2.999 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467261966 564959365 /nfs/dbraw/zinc/95/93/65/564959365.db2.gz SVHPBUHSHDREMB-UHFFFAOYSA-N -1 3 376.843 2.975 20 5 GFBDHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467396614 564961966 /nfs/dbraw/zinc/96/19/66/564961966.db2.gz KSUVNYMNAHVRNQ-UHFFFAOYSA-N -1 3 386.451 2.503 20 5 GFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(F)F ZINC000595351317 565467160 /nfs/dbraw/zinc/46/71/60/565467160.db2.gz RENCHYCTXMOOQG-SNVBAGLBSA-N -1 3 399.213 2.927 20 5 GFBDHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380738 565471521 /nfs/dbraw/zinc/47/15/21/565471521.db2.gz CDHVMPRQVFLJIQ-ABAIWWIYSA-N -1 3 384.841 2.691 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000603975574 565921048 /nfs/dbraw/zinc/92/10/48/565921048.db2.gz BKBLFVRRLYZZNZ-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611021848 566111260 /nfs/dbraw/zinc/11/12/60/566111260.db2.gz KDFRJWCDVHUQSQ-NHYWBVRUSA-N -1 3 384.841 2.691 20 5 GFBDHM Cc1ccc(NCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000737361401 598856627 /nfs/dbraw/zinc/85/66/27/598856627.db2.gz GUQGDHMJFPTUGC-UHFFFAOYSA-N -1 3 398.383 2.906 20 5 GFBDHM Cc1ccc(NCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000737361401 598856628 /nfs/dbraw/zinc/85/66/28/598856628.db2.gz GUQGDHMJFPTUGC-UHFFFAOYSA-N -1 3 398.383 2.906 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000737300575 598947614 /nfs/dbraw/zinc/94/76/14/598947614.db2.gz BXNOYMBVKKUBLB-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000737300575 598947616 /nfs/dbraw/zinc/94/76/16/598947616.db2.gz BXNOYMBVKKUBLB-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639627 599062840 /nfs/dbraw/zinc/06/28/40/599062840.db2.gz DWWGVXJDKNRWAF-OAHLLOKOSA-N -1 3 380.408 2.818 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639627 599062841 /nfs/dbraw/zinc/06/28/41/599062841.db2.gz DWWGVXJDKNRWAF-OAHLLOKOSA-N -1 3 380.408 2.818 20 5 GFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000736842357 599062915 /nfs/dbraw/zinc/06/29/15/599062915.db2.gz PLXRGSNJHQWRIY-INIZCTEOSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000736842357 599062917 /nfs/dbraw/zinc/06/29/17/599062917.db2.gz PLXRGSNJHQWRIY-INIZCTEOSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000736842358 599063728 /nfs/dbraw/zinc/06/37/28/599063728.db2.gz PLXRGSNJHQWRIY-MRXNPFEDSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000736842358 599063731 /nfs/dbraw/zinc/06/37/31/599063731.db2.gz PLXRGSNJHQWRIY-MRXNPFEDSA-N -1 3 379.424 2.880 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000823644662 599091231 /nfs/dbraw/zinc/09/12/31/599091231.db2.gz KAIBITYLHRSFFM-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000823644662 599091233 /nfs/dbraw/zinc/09/12/33/599091233.db2.gz KAIBITYLHRSFFM-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM CCc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736690272 599156992 /nfs/dbraw/zinc/15/69/92/599156992.db2.gz IIRIWWYUSGXSNL-LLVKDONJSA-N -1 3 383.364 2.710 20 5 GFBDHM CCc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736690272 599156994 /nfs/dbraw/zinc/15/69/94/599156994.db2.gz IIRIWWYUSGXSNL-LLVKDONJSA-N -1 3 383.364 2.710 20 5 GFBDHM O=C(COc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737932181 599186325 /nfs/dbraw/zinc/18/63/25/599186325.db2.gz UCNFLOOETTZVNO-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1-c1nn[n-]n1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737932181 599186327 /nfs/dbraw/zinc/18/63/27/599186327.db2.gz UCNFLOOETTZVNO-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM CN(CCOc1ccccc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736801879 599254706 /nfs/dbraw/zinc/25/47/06/599254706.db2.gz MLAVKFFMUQANPQ-UHFFFAOYSA-N -1 3 391.391 2.838 20 5 GFBDHM CN(CCOc1ccccc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736801879 599254707 /nfs/dbraw/zinc/25/47/07/599254707.db2.gz MLAVKFFMUQANPQ-UHFFFAOYSA-N -1 3 391.391 2.838 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3cn4ccccc4n3)cc(-c3nnn[n-]3)c2c1 ZINC000738367005 599258673 /nfs/dbraw/zinc/25/86/73/599258673.db2.gz MWDCHVXEUQEXSQ-UHFFFAOYSA-N -1 3 387.363 2.583 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3cn4ccccc4n3)cc(-c3nn[n-]n3)c2c1 ZINC000738367005 599258676 /nfs/dbraw/zinc/25/86/76/599258676.db2.gz MWDCHVXEUQEXSQ-UHFFFAOYSA-N -1 3 387.363 2.583 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737190849 598303513 /nfs/dbraw/zinc/30/35/13/598303513.db2.gz JLQZLECPLQHCPX-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737190849 598303514 /nfs/dbraw/zinc/30/35/14/598303514.db2.gz JLQZLECPLQHCPX-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000736891790 598387707 /nfs/dbraw/zinc/38/77/07/598387707.db2.gz LSGSIZKEORVOIV-OAHLLOKOSA-N -1 3 396.407 2.527 20 5 GFBDHM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000736891790 598387709 /nfs/dbraw/zinc/38/77/09/598387709.db2.gz LSGSIZKEORVOIV-OAHLLOKOSA-N -1 3 396.407 2.527 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccnc(N3CCCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738373652 598428201 /nfs/dbraw/zinc/42/82/01/598428201.db2.gz FDOBGUROEMGULX-UHFFFAOYSA-N -1 3 395.427 2.557 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccnc(N3CCCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738373652 598428202 /nfs/dbraw/zinc/42/82/02/598428202.db2.gz FDOBGUROEMGULX-UHFFFAOYSA-N -1 3 395.427 2.557 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000738371635 598460149 /nfs/dbraw/zinc/46/01/49/598460149.db2.gz VIVGEOHZHWNVQT-OAHLLOKOSA-N -1 3 394.391 2.888 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2nn[n-]n2)c1 ZINC000738371635 598460150 /nfs/dbraw/zinc/46/01/50/598460150.db2.gz VIVGEOHZHWNVQT-OAHLLOKOSA-N -1 3 394.391 2.888 20 5 GFBDHM Cc1ccc(-c2nc(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)co2)cc1 ZINC000737290296 598500517 /nfs/dbraw/zinc/50/05/17/598500517.db2.gz YYALJPYDADHEMI-UHFFFAOYSA-N -1 3 392.379 2.788 20 5 GFBDHM Cc1ccc(-c2nc(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)co2)cc1 ZINC000737290296 598500519 /nfs/dbraw/zinc/50/05/19/598500519.db2.gz YYALJPYDADHEMI-UHFFFAOYSA-N -1 3 392.379 2.788 20 5 GFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000737236569 598546413 /nfs/dbraw/zinc/54/64/13/598546413.db2.gz NPDGKRMSNDFGIV-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000737236569 598546415 /nfs/dbraw/zinc/54/64/15/598546415.db2.gz NPDGKRMSNDFGIV-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736170145 598608428 /nfs/dbraw/zinc/60/84/28/598608428.db2.gz RWUJHDQXKIKMBP-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736171870 598735558 /nfs/dbraw/zinc/73/55/58/598735558.db2.gz ZCDVMHKMTZYIPL-VXGBXAGGSA-N -1 3 394.391 2.520 20 5 GFBDHM COc1ccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])c2c1 ZINC000737117248 598817464 /nfs/dbraw/zinc/81/74/64/598817464.db2.gz YMPMENOIQAGEDB-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM COc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])c2c1 ZINC000737117248 598817466 /nfs/dbraw/zinc/81/74/66/598817466.db2.gz YMPMENOIQAGEDB-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738223709 599500244 /nfs/dbraw/zinc/50/02/44/599500244.db2.gz WJUHWMFWUSUVJE-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738223709 599500246 /nfs/dbraw/zinc/50/02/46/599500246.db2.gz WJUHWMFWUSUVJE-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832958768 601729299 /nfs/dbraw/zinc/72/92/99/601729299.db2.gz TXEWSTXDSRRMEQ-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM COc1ccc(OCCN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500436 604040661 /nfs/dbraw/zinc/04/06/61/604040661.db2.gz KKMAONYBCBGVBQ-GOEBONIOSA-N -1 3 393.440 2.837 20 5 GFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000833417809 604947735 /nfs/dbraw/zinc/94/77/35/604947735.db2.gz YPSPHMYQEJHKTN-CJNGLKHVSA-N -1 3 375.425 2.523 20 5 GFBDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820562311 606143372 /nfs/dbraw/zinc/14/33/72/606143372.db2.gz FJNGHWYNGMFUMM-LUGWNYHVSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820562311 606143374 /nfs/dbraw/zinc/14/33/74/606143374.db2.gz FJNGHWYNGMFUMM-LUGWNYHVSA-N -1 3 386.437 2.710 20 5 GFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823387330 606183722 /nfs/dbraw/zinc/18/37/22/606183722.db2.gz INDIZIFMIRBSNT-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823387330 606183724 /nfs/dbraw/zinc/18/37/24/606183724.db2.gz INDIZIFMIRBSNT-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821728050 606329164 /nfs/dbraw/zinc/32/91/64/606329164.db2.gz RBMYBUOVQICBII-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821728050 606329165 /nfs/dbraw/zinc/32/91/65/606329165.db2.gz RBMYBUOVQICBII-UHFFFAOYSA-N -1 3 386.393 2.514 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229638 606440448 /nfs/dbraw/zinc/44/04/48/606440448.db2.gz YITYPEMAXBYGQJ-GFCCVEGCSA-N -1 3 381.396 2.644 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229638 606440450 /nfs/dbraw/zinc/44/04/50/606440450.db2.gz YITYPEMAXBYGQJ-GFCCVEGCSA-N -1 3 381.396 2.644 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228810 606449136 /nfs/dbraw/zinc/44/91/36/606449136.db2.gz GBALGRHZKKBSPU-STQMWFEESA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228810 606449138 /nfs/dbraw/zinc/44/91/38/606449138.db2.gz GBALGRHZKKBSPU-STQMWFEESA-N -1 3 396.407 2.728 20 5 GFBDHM CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915684 606588310 /nfs/dbraw/zinc/58/83/10/606588310.db2.gz WLMIRCQFEWICRY-SJKOYZFVSA-N -1 3 396.407 2.810 20 5 GFBDHM CSCc1cc(F)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821970403 606725223 /nfs/dbraw/zinc/72/52/23/606725223.db2.gz NIPQKSPGSIXWHH-UHFFFAOYSA-N -1 3 375.389 2.784 20 5 GFBDHM CSCc1cc(F)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821970403 606725224 /nfs/dbraw/zinc/72/52/24/606725224.db2.gz NIPQKSPGSIXWHH-UHFFFAOYSA-N -1 3 375.389 2.784 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ncc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823640086 606792228 /nfs/dbraw/zinc/79/22/28/606792228.db2.gz RMRYLUQLKXZUJN-UHFFFAOYSA-N -1 3 396.194 2.968 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCOc2ncc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000823640086 606792230 /nfs/dbraw/zinc/79/22/30/606792230.db2.gz RMRYLUQLKXZUJN-UHFFFAOYSA-N -1 3 396.194 2.968 20 5 GFBDHM COc1ccc(OC(F)F)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821837763 606799331 /nfs/dbraw/zinc/79/93/31/606799331.db2.gz HEDSTEQVLKDKMI-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821837763 606799332 /nfs/dbraw/zinc/79/93/32/606799332.db2.gz HEDSTEQVLKDKMI-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM CSc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821977183 606988580 /nfs/dbraw/zinc/98/85/80/606988580.db2.gz DYEKHRKKUWOBJL-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821977183 606988581 /nfs/dbraw/zinc/98/85/81/606988581.db2.gz DYEKHRKKUWOBJL-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nnc1-c1cccnc1 ZINC000821565591 607036762 /nfs/dbraw/zinc/03/67/62/607036762.db2.gz ZYTPOBCIKXGQJY-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CCn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nnc1-c1cccnc1 ZINC000821565591 607036764 /nfs/dbraw/zinc/03/67/64/607036764.db2.gz ZYTPOBCIKXGQJY-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000823630468 607038925 /nfs/dbraw/zinc/03/89/25/607038925.db2.gz XIOIBAMMBQSFPW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000823630468 607038927 /nfs/dbraw/zinc/03/89/27/607038927.db2.gz XIOIBAMMBQSFPW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819891934 607083856 /nfs/dbraw/zinc/08/38/56/607083856.db2.gz MHKWPMCJOAJJGF-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819891934 607083858 /nfs/dbraw/zinc/08/38/58/607083858.db2.gz MHKWPMCJOAJJGF-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799793055 607866503 /nfs/dbraw/zinc/86/65/03/607866503.db2.gz OUQMXZHUSWAZDK-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799793055 607866504 /nfs/dbraw/zinc/86/65/04/607866504.db2.gz OUQMXZHUSWAZDK-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826230772 607954199 /nfs/dbraw/zinc/95/41/99/607954199.db2.gz JPCPGXUYZYXVEL-UHFFFAOYSA-N -1 3 382.405 2.700 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826230772 607954200 /nfs/dbraw/zinc/95/42/00/607954200.db2.gz JPCPGXUYZYXVEL-UHFFFAOYSA-N -1 3 382.405 2.700 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826254156 607993510 /nfs/dbraw/zinc/99/35/10/607993510.db2.gz XMMQHAKETYHFHV-UHFFFAOYSA-N -1 3 392.375 2.851 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826254156 607993511 /nfs/dbraw/zinc/99/35/11/607993511.db2.gz XMMQHAKETYHFHV-UHFFFAOYSA-N -1 3 392.375 2.851 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000826498849 608099160 /nfs/dbraw/zinc/09/91/60/608099160.db2.gz MCTMJUPCQRSHDP-GFCCVEGCSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000826498849 608099161 /nfs/dbraw/zinc/09/91/61/608099161.db2.gz MCTMJUPCQRSHDP-GFCCVEGCSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000826498469 608154046 /nfs/dbraw/zinc/15/40/46/608154046.db2.gz WJKWCIILNADFAT-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000826498469 608154048 /nfs/dbraw/zinc/15/40/48/608154048.db2.gz WJKWCIILNADFAT-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826287568 608160375 /nfs/dbraw/zinc/16/03/75/608160375.db2.gz UHKOADFFLAPQED-UHFFFAOYSA-N -1 3 376.760 2.901 20 5 GFBDHM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826287568 608160377 /nfs/dbraw/zinc/16/03/77/608160377.db2.gz UHKOADFFLAPQED-UHFFFAOYSA-N -1 3 376.760 2.901 20 5 GFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826442367 608165251 /nfs/dbraw/zinc/16/52/51/608165251.db2.gz SINVXAYQCFQMDU-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826442367 608165253 /nfs/dbraw/zinc/16/52/53/608165253.db2.gz SINVXAYQCFQMDU-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213811 608242215 /nfs/dbraw/zinc/24/22/15/608242215.db2.gz CZNYFPRIVFGRLM-BZNIZROVSA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213811 608242217 /nfs/dbraw/zinc/24/22/17/608242217.db2.gz CZNYFPRIVFGRLM-BZNIZROVSA-N -1 3 383.412 2.939 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826440806 608328844 /nfs/dbraw/zinc/32/88/44/608328844.db2.gz BBUBQXZHQYLNGU-UHFFFAOYSA-N -1 3 389.375 2.700 20 5 GFBDHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000826440806 608328846 /nfs/dbraw/zinc/32/88/46/608328846.db2.gz BBUBQXZHQYLNGU-UHFFFAOYSA-N -1 3 389.375 2.700 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473581 608489193 /nfs/dbraw/zinc/48/91/93/608489193.db2.gz DQAZFQMYYAIUIW-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473581 608489195 /nfs/dbraw/zinc/48/91/95/608489195.db2.gz DQAZFQMYYAIUIW-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM O=[N+]([O-])c1ccccc1CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C1CC1 ZINC000826500374 608532897 /nfs/dbraw/zinc/53/28/97/608532897.db2.gz WGSIQWCQFPAGIA-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM O=[N+]([O-])c1ccccc1CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C1CC1 ZINC000826500374 608532898 /nfs/dbraw/zinc/53/28/98/608532898.db2.gz WGSIQWCQFPAGIA-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826263460 608784351 /nfs/dbraw/zinc/78/43/51/608784351.db2.gz CDFPDZAJPZQWCA-UHFFFAOYSA-N -1 3 395.375 2.740 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826263460 608784354 /nfs/dbraw/zinc/78/43/54/608784354.db2.gz CDFPDZAJPZQWCA-UHFFFAOYSA-N -1 3 395.375 2.740 20 5 GFBDHM Cc1cc(COC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826266943 609284477 /nfs/dbraw/zinc/28/44/77/609284477.db2.gz IWTJSZSYHBTODO-LBPRGKRZSA-N -1 3 383.364 2.594 20 5 GFBDHM Cc1cc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826266943 609284478 /nfs/dbraw/zinc/28/44/78/609284478.db2.gz IWTJSZSYHBTODO-LBPRGKRZSA-N -1 3 383.364 2.594 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(CCOc3ccccc3-c3nnn[n-]3)c2)c1 ZINC000826499520 609314087 /nfs/dbraw/zinc/31/40/87/609314087.db2.gz LZOCFZNODPINOF-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2cnn(CCOc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000826499520 609314088 /nfs/dbraw/zinc/31/40/88/609314088.db2.gz LZOCFZNODPINOF-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000826500919 609321556 /nfs/dbraw/zinc/32/15/56/609321556.db2.gz ROJSYKNJWMCQNX-UHFFFAOYSA-N -1 3 380.412 2.772 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2N2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000826500919 609321558 /nfs/dbraw/zinc/32/15/58/609321558.db2.gz ROJSYKNJWMCQNX-UHFFFAOYSA-N -1 3 380.412 2.772 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826454277 609455705 /nfs/dbraw/zinc/45/57/05/609455705.db2.gz PRNFUMQRXZCHLG-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826454277 609455706 /nfs/dbraw/zinc/45/57/06/609455706.db2.gz PRNFUMQRXZCHLG-UHFFFAOYSA-N -1 3 394.269 2.768 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826417923 609614657 /nfs/dbraw/zinc/61/46/57/609614657.db2.gz LDECSSISFKAEDR-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826417923 609614659 /nfs/dbraw/zinc/61/46/59/609614659.db2.gz LDECSSISFKAEDR-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM COc1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826177391 609615823 /nfs/dbraw/zinc/61/58/23/609615823.db2.gz GJMRPOUBZPUYFF-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826177391 609615825 /nfs/dbraw/zinc/61/58/25/609615825.db2.gz GJMRPOUBZPUYFF-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM CCN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321855 660648350 /nfs/dbraw/zinc/64/83/50/660648350.db2.gz DQWBKMKTKMWUTE-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM CN(C)CC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831376294 660708939 /nfs/dbraw/zinc/70/89/39/660708939.db2.gz OZTKYYJICIVAGO-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000129943502 654878417 /nfs/dbraw/zinc/87/84/17/654878417.db2.gz LRJDRBGMNXCULI-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 ZINC000267652029 654940605 /nfs/dbraw/zinc/94/06/05/654940605.db2.gz UWNTXESIGWVYMI-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1 ZINC000157897526 655103025 /nfs/dbraw/zinc/10/30/25/655103025.db2.gz PUFKGYKULOMAJO-NWDGAFQWSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000738376811 655690376 /nfs/dbraw/zinc/69/03/76/655690376.db2.gz DIWJZXKCHYQQMC-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796203449 658902131 /nfs/dbraw/zinc/90/21/31/658902131.db2.gz OJFUDLCEMUTLAS-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@](C)(O)c1ccccc1 ZINC000845982398 661517489 /nfs/dbraw/zinc/51/74/89/661517489.db2.gz UUGXPFPWTCSIDW-BZNIZROVSA-N -1 3 384.841 2.823 20 5 GFBDHM CCO[N-]C(=O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000846088963 661531983 /nfs/dbraw/zinc/53/19/83/661531983.db2.gz NFAYURLLPMGLND-UHFFFAOYSA-N -1 3 398.213 2.775 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1Br ZINC000856747189 662040890 /nfs/dbraw/zinc/04/08/90/662040890.db2.gz KTDFDEVGTVBLKO-ZETCQYMHSA-N -1 3 385.186 2.681 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000859347460 662154920 /nfs/dbraw/zinc/15/49/20/662154920.db2.gz QDRMBFNNSNAHSP-LLVKDONJSA-N -1 3 391.852 2.683 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867846804 662581908 /nfs/dbraw/zinc/58/19/08/662581908.db2.gz RFJNFCCEGBJFJQ-GHMZBOCLSA-N -1 3 380.344 2.779 20 5 GFBDHM O=C1[N-]C(=O)C(=Cc2cc(I)cc([N+](=O)[O-])c2)S1 ZINC000874927743 662839730 /nfs/dbraw/zinc/83/97/30/662839730.db2.gz GWNGAWHWQLQEMG-BAQGIRSFSA-N -1 3 376.131 2.523 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cs1 ZINC000917908627 664492455 /nfs/dbraw/zinc/49/24/55/664492455.db2.gz DPIWFMHZFUGBHU-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000056074049 551176823 /nfs/dbraw/zinc/17/68/23/551176823.db2.gz BRNGCXORBXTUMI-UHFFFAOYSA-N -1 3 385.829 2.909 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000122396133 551297666 /nfs/dbraw/zinc/29/76/66/551297666.db2.gz HDRDNBFZYTUALX-UHFFFAOYSA-N -1 3 385.467 2.890 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1 ZINC000152277259 551429465 /nfs/dbraw/zinc/42/94/65/551429465.db2.gz XAAQDPDONYGXBF-JTQLQIEISA-N -1 3 381.273 2.531 20 5 GFBDHM O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(Br)c1 ZINC000156548016 551524564 /nfs/dbraw/zinc/52/45/64/551524564.db2.gz WWLZVHOJFVBHKB-UHFFFAOYSA-N -1 3 380.198 2.791 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173536005 552087734 /nfs/dbraw/zinc/08/77/34/552087734.db2.gz PUBDNEKWFGFKIZ-OLZOCXBDSA-N -1 3 384.845 2.907 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000183291599 552304749 /nfs/dbraw/zinc/30/47/49/552304749.db2.gz NXJDHVKPFHRPGJ-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[n-]n1 ZINC000183291599 552304752 /nfs/dbraw/zinc/30/47/52/552304752.db2.gz NXJDHVKPFHRPGJ-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000185947528 552375174 /nfs/dbraw/zinc/37/51/74/552375174.db2.gz ZODDUIQGQDLWQS-UHFFFAOYSA-N -1 3 380.275 2.961 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000187758251 552423531 /nfs/dbraw/zinc/42/35/31/552423531.db2.gz TZOHXHFCBYYYAD-MRVPVSSYSA-N -1 3 389.430 2.589 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CCC(=O)N2 ZINC000194403829 553019984 /nfs/dbraw/zinc/01/99/84/553019984.db2.gz AENHZILSJRAADO-SECBINFHSA-N -1 3 381.435 2.581 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429901352 563528353 /nfs/dbraw/zinc/52/83/53/563528353.db2.gz JGJKMHQFHLNKTG-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM Cc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1C1CC1 ZINC000285802767 563537574 /nfs/dbraw/zinc/53/75/74/563537574.db2.gz QLDHBPMDGGEETE-UHFFFAOYSA-N -1 3 384.165 2.984 20 5 GFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc([C@@H]3CCC(=O)N3)c2)s1 ZINC000413568961 563697473 /nfs/dbraw/zinc/69/74/73/563697473.db2.gz ZNGODNJEKNBKLQ-NSHDSACASA-N -1 3 381.435 2.755 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000366337562 563805717 /nfs/dbraw/zinc/80/57/17/563805717.db2.gz GSSICOCHEZCPKB-BXUZGUMPSA-N -1 3 392.886 2.581 20 5 GFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416433146 563827757 /nfs/dbraw/zinc/82/77/57/563827757.db2.gz NSGQKGWBTIXJEL-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CC(C)c1nc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1C ZINC000416459537 563832071 /nfs/dbraw/zinc/83/20/71/563832071.db2.gz SCVYCLDZNAWYKV-UHFFFAOYSA-N -1 3 386.861 2.626 20 5 GFBDHM COCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416518360 563842204 /nfs/dbraw/zinc/84/22/04/563842204.db2.gz CQAMPLVGRZWITJ-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416597917 563851317 /nfs/dbraw/zinc/85/13/17/563851317.db2.gz GLMQXWVTPMNNMI-BBBLOLIVSA-N -1 3 382.360 2.705 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)O1 ZINC000416609065 563853195 /nfs/dbraw/zinc/85/31/95/563853195.db2.gz UBOOHPZETCEXKS-BBBLOLIVSA-N -1 3 382.360 2.705 20 5 GFBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451680753 564339542 /nfs/dbraw/zinc/33/95/42/564339542.db2.gz MSUBZZVFIBRKDA-JOYOIKCWSA-N -1 3 395.275 2.697 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511275743 564365404 /nfs/dbraw/zinc/36/54/04/564365404.db2.gz FREOEVRHKYDGSW-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000481550226 564515770 /nfs/dbraw/zinc/51/57/70/564515770.db2.gz ZIXDOWGZNXKAOV-UHFFFAOYSA-N -1 3 376.423 2.724 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000577882028 564738178 /nfs/dbraw/zinc/73/81/78/564738178.db2.gz JIKZQMKGVVZTSP-CQSZACIVSA-N -1 3 384.841 2.959 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000581565998 564808004 /nfs/dbraw/zinc/80/80/04/564808004.db2.gz QLIQQZAGUVMADS-BDAKNGLRSA-N -1 3 381.223 2.835 20 5 GFBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000494369135 564826291 /nfs/dbraw/zinc/82/62/91/564826291.db2.gz NUFYSVDXNPVGKD-JTQLQIEISA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(CC2CCCC2)C1 ZINC000462568088 564848027 /nfs/dbraw/zinc/84/80/27/564848027.db2.gz XRPDUWRSFQSREN-AWEZNQCLSA-N -1 3 387.889 2.791 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)sc1Cl ZINC000530490752 564884554 /nfs/dbraw/zinc/88/45/54/564884554.db2.gz FFBQWWMSHAYJAG-UHFFFAOYSA-N -1 3 376.843 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)c(Cl)c1 ZINC000584245319 564926971 /nfs/dbraw/zinc/92/69/71/564926971.db2.gz YEGSMLXHJQHYPX-GFCCVEGCSA-N -1 3 376.862 2.715 20 5 GFBDHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466546418 564943621 /nfs/dbraw/zinc/94/36/21/564943621.db2.gz SVXOGFHNOMIWLW-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2cncc(Cl)c2)c([N+](=O)[O-])c1 ZINC000532853743 564947609 /nfs/dbraw/zinc/94/76/09/564947609.db2.gz LSYRFIZUXQWVHS-UHFFFAOYSA-N -1 3 384.845 2.732 20 5 GFBDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819388 564973512 /nfs/dbraw/zinc/97/35/12/564973512.db2.gz NHLISDVFIFMCFA-HNNXBMFYSA-N -1 3 381.841 2.713 20 5 GFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000593560374 565341845 /nfs/dbraw/zinc/34/18/45/565341845.db2.gz FHZGJZQNXSVKJP-LBPRGKRZSA-N -1 3 385.829 2.779 20 5 GFBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619499425 565346351 /nfs/dbraw/zinc/34/63/51/565346351.db2.gz QESQGRPJTSJSDB-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488218 565395953 /nfs/dbraw/zinc/39/59/53/565395953.db2.gz QRXSPYFVYXUVCK-GWCFXTLKSA-N -1 3 382.360 2.682 20 5 GFBDHM CC(C)(C)N1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790467 565421717 /nfs/dbraw/zinc/42/17/17/565421717.db2.gz LLNRWOYZLCFCPP-LLVKDONJSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000598621060 565630612 /nfs/dbraw/zinc/63/06/12/565630612.db2.gz FDUQZGZFYARFSM-ZETCQYMHSA-N -1 3 385.186 2.681 20 5 GFBDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000610890876 566105023 /nfs/dbraw/zinc/10/50/23/566105023.db2.gz TVCYRALHZSYLCO-UHFFFAOYSA-N -1 3 393.252 2.693 20 5 GFBDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611021768 566111684 /nfs/dbraw/zinc/11/16/84/566111684.db2.gz FOSSASWEWFMHSW-SMDDNHRTSA-N -1 3 384.841 2.691 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000613482434 566199269 /nfs/dbraw/zinc/19/92/69/566199269.db2.gz CINONTFRFLMVHB-UHFFFAOYSA-N -1 3 378.472 2.755 20 5 GFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778000 599039594 /nfs/dbraw/zinc/03/95/94/599039594.db2.gz UHXGHHHJKUEXIV-DIFFPNOSSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778000 599039596 /nfs/dbraw/zinc/03/95/96/599039596.db2.gz UHXGHHHJKUEXIV-DIFFPNOSSA-N -1 3 384.371 2.880 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738361153 599175047 /nfs/dbraw/zinc/17/50/47/599175047.db2.gz VIVZTJPZMLEWOW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738361153 599175048 /nfs/dbraw/zinc/17/50/48/599175048.db2.gz VIVZTJPZMLEWOW-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM COc1cccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737140690 599231580 /nfs/dbraw/zinc/23/15/80/599231580.db2.gz SEJJPNBHGJHZSY-CQSZACIVSA-N -1 3 395.423 2.864 20 5 GFBDHM COc1cccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737140690 599231581 /nfs/dbraw/zinc/23/15/81/599231581.db2.gz SEJJPNBHGJHZSY-CQSZACIVSA-N -1 3 395.423 2.864 20 5 GFBDHM CCOC(=O)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc([N+](=O)[O-])c1 ZINC000821337578 607266768 /nfs/dbraw/zinc/26/67/68/607266768.db2.gz LRPHYSIGWQKUQL-UHFFFAOYSA-N -1 3 396.363 2.512 20 5 GFBDHM CCOC(=O)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc([N+](=O)[O-])c1 ZINC000821337578 607266769 /nfs/dbraw/zinc/26/67/69/607266769.db2.gz LRPHYSIGWQKUQL-UHFFFAOYSA-N -1 3 396.363 2.512 20 5 GFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000821109335 607305146 /nfs/dbraw/zinc/30/51/46/607305146.db2.gz HXCWMBISWNSADY-UHFFFAOYSA-N -1 3 384.425 2.901 20 5 GFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000821109335 607305147 /nfs/dbraw/zinc/30/51/47/607305147.db2.gz HXCWMBISWNSADY-UHFFFAOYSA-N -1 3 384.425 2.901 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000823629990 607331515 /nfs/dbraw/zinc/33/15/15/607331515.db2.gz OWIWECLYHYRNHK-LBPRGKRZSA-N -1 3 376.442 2.632 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000823629990 607331516 /nfs/dbraw/zinc/33/15/16/607331516.db2.gz OWIWECLYHYRNHK-LBPRGKRZSA-N -1 3 376.442 2.632 20 5 GFBDHM Cn1c(CCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000822596509 607348747 /nfs/dbraw/zinc/34/87/47/607348747.db2.gz NEASXINXSBFUSK-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM Cn1c(CCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000822596509 607348749 /nfs/dbraw/zinc/34/87/49/607348749.db2.gz NEASXINXSBFUSK-UHFFFAOYSA-N -1 3 378.396 2.706 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2ncn(CCCOc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738366103 598377655 /nfs/dbraw/zinc/37/76/55/598377655.db2.gz CKWVHGHRTWXFHP-UHFFFAOYSA-N -1 3 392.379 2.503 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735627706 598468634 /nfs/dbraw/zinc/46/86/34/598468634.db2.gz OOQPYAHCZOHPHX-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735627706 598468636 /nfs/dbraw/zinc/46/86/36/598468636.db2.gz OOQPYAHCZOHPHX-GFCCVEGCSA-N -1 3 389.416 2.586 20 5 GFBDHM Nc1nc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000737777442 598551890 /nfs/dbraw/zinc/55/18/90/598551890.db2.gz YKLAIZHAPVFPBJ-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM Nc1nc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000737777442 598551891 /nfs/dbraw/zinc/55/18/91/598551891.db2.gz YKLAIZHAPVFPBJ-UHFFFAOYSA-N -1 3 391.351 2.683 20 5 GFBDHM Cc1c(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217288 598578644 /nfs/dbraw/zinc/57/86/44/598578644.db2.gz ALWPQCDKPOLOSZ-MRXNPFEDSA-N -1 3 394.391 2.658 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000738371856 598636981 /nfs/dbraw/zinc/63/69/81/598636981.db2.gz YBPWJMHCFVFIOO-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000738371856 598636983 /nfs/dbraw/zinc/63/69/83/598636983.db2.gz YBPWJMHCFVFIOO-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000738369298 598682599 /nfs/dbraw/zinc/68/25/99/598682599.db2.gz KLNPLGBUBUNVIM-UHFFFAOYSA-N -1 3 383.387 2.768 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000738369298 598682601 /nfs/dbraw/zinc/68/26/01/598682601.db2.gz KLNPLGBUBUNVIM-UHFFFAOYSA-N -1 3 383.387 2.768 20 5 GFBDHM C[C@@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736197934 598796897 /nfs/dbraw/zinc/79/68/97/598796897.db2.gz FEHVAMNSZYCMMI-ZDUSSCGKSA-N -1 3 395.423 2.912 20 5 GFBDHM C[C@@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736197934 598796898 /nfs/dbraw/zinc/79/68/98/598796898.db2.gz FEHVAMNSZYCMMI-ZDUSSCGKSA-N -1 3 395.423 2.912 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccsc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645993 599567807 /nfs/dbraw/zinc/56/78/07/599567807.db2.gz ZDXHILSCKQPDER-CQSZACIVSA-N -1 3 383.393 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccsc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645993 599567808 /nfs/dbraw/zinc/56/78/08/599567808.db2.gz ZDXHILSCKQPDER-CQSZACIVSA-N -1 3 383.393 2.530 20 5 GFBDHM CC(C)CC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072673 599570326 /nfs/dbraw/zinc/57/03/26/599570326.db2.gz KCARQPRPFGNHIG-GOSISDBHSA-N -1 3 385.428 2.922 20 5 GFBDHM CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072673 599570328 /nfs/dbraw/zinc/57/03/28/599570328.db2.gz KCARQPRPFGNHIG-GOSISDBHSA-N -1 3 385.428 2.922 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000823644687 599572088 /nfs/dbraw/zinc/57/20/88/599572088.db2.gz KLHWPBJRTVWELQ-CQSZACIVSA-N -1 3 397.420 2.920 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3cccs3)cc(-c3nn[n-]n3)c2c1 ZINC000823644687 599572090 /nfs/dbraw/zinc/57/20/90/599572090.db2.gz KLHWPBJRTVWELQ-CQSZACIVSA-N -1 3 397.420 2.920 20 5 GFBDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826045641 601652828 /nfs/dbraw/zinc/65/28/28/601652828.db2.gz VVYMAVCPIYOBLC-YJYMSZOUSA-N -1 3 383.404 2.536 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1Cl ZINC000826450927 607523525 /nfs/dbraw/zinc/52/35/25/607523525.db2.gz IXZFUOBDMTWGRJ-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1Cl ZINC000826450927 607523526 /nfs/dbraw/zinc/52/35/26/607523526.db2.gz IXZFUOBDMTWGRJ-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423899 607525218 /nfs/dbraw/zinc/52/52/18/607525218.db2.gz MBUDHAUSFTYCIY-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C(Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423899 607525219 /nfs/dbraw/zinc/52/52/19/607525219.db2.gz MBUDHAUSFTYCIY-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=[N+]([O-])c1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826498837 607649188 /nfs/dbraw/zinc/64/91/88/607649188.db2.gz LOOQWFORGOOMLD-UHFFFAOYSA-N -1 3 381.421 2.751 20 5 GFBDHM O=[N+]([O-])c1ccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826498837 607649191 /nfs/dbraw/zinc/64/91/91/607649191.db2.gz LOOQWFORGOOMLD-UHFFFAOYSA-N -1 3 381.421 2.751 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@H]21 ZINC000834179237 605328305 /nfs/dbraw/zinc/32/83/05/605328305.db2.gz GWDNSLNHBFBWFO-ZTFGCOKTSA-N -1 3 385.424 2.784 20 5 GFBDHM CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826904669 605480148 /nfs/dbraw/zinc/48/01/48/605480148.db2.gz ZIDTZWRMEFCUSG-UHFFFAOYSA-N -1 3 378.429 2.696 20 5 GFBDHM Cc1cc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000822207236 606035770 /nfs/dbraw/zinc/03/57/70/606035770.db2.gz PDNPLGSKHWQWGH-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820562321 606143600 /nfs/dbraw/zinc/14/36/00/606143600.db2.gz FJNGHWYNGMFUMM-YBOJIHHZSA-N -1 3 386.437 2.710 20 5 GFBDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820562321 606143601 /nfs/dbraw/zinc/14/36/01/606143601.db2.gz FJNGHWYNGMFUMM-YBOJIHHZSA-N -1 3 386.437 2.710 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccc(O)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643868 606215552 /nfs/dbraw/zinc/21/55/52/606215552.db2.gz DJEOUNKMBXBALL-UHFFFAOYSA-N -1 3 377.364 2.683 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccc(O)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643868 606215554 /nfs/dbraw/zinc/21/55/54/606215554.db2.gz DJEOUNKMBXBALL-UHFFFAOYSA-N -1 3 377.364 2.683 20 5 GFBDHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640951 606416820 /nfs/dbraw/zinc/41/68/20/606416820.db2.gz SKGZUBJQGXWKBD-YVEFUNNKSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640951 606416822 /nfs/dbraw/zinc/41/68/22/606416822.db2.gz SKGZUBJQGXWKBD-YVEFUNNKSA-N -1 3 396.407 2.648 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000823630258 606473298 /nfs/dbraw/zinc/47/32/98/606473298.db2.gz UQNVTKQGGZVLEI-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000823630258 606473301 /nfs/dbraw/zinc/47/33/01/606473301.db2.gz UQNVTKQGGZVLEI-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819988329 606585629 /nfs/dbraw/zinc/58/56/29/606585629.db2.gz YFEKOHYIWOJKKH-UHFFFAOYSA-N -1 3 399.386 2.649 20 5 GFBDHM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819988329 606585630 /nfs/dbraw/zinc/58/56/30/606585630.db2.gz YFEKOHYIWOJKKH-UHFFFAOYSA-N -1 3 399.386 2.649 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822271061 606655990 /nfs/dbraw/zinc/65/59/90/606655990.db2.gz KXQPNYLZPIVHNA-GFCCVEGCSA-N -1 3 382.380 2.798 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822271061 606655991 /nfs/dbraw/zinc/65/59/91/606655991.db2.gz KXQPNYLZPIVHNA-GFCCVEGCSA-N -1 3 382.380 2.798 20 5 GFBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820026051 606720516 /nfs/dbraw/zinc/72/05/16/606720516.db2.gz GOZXQTSFAAKCCF-OAHLLOKOSA-N -1 3 379.384 2.627 20 5 GFBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820026051 606720518 /nfs/dbraw/zinc/72/05/18/606720518.db2.gz GOZXQTSFAAKCCF-OAHLLOKOSA-N -1 3 379.384 2.627 20 5 GFBDHM COc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821837189 606799313 /nfs/dbraw/zinc/79/93/13/606799313.db2.gz ARHQBGYEINWHLI-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821837189 606799314 /nfs/dbraw/zinc/79/93/14/606799314.db2.gz ARHQBGYEINWHLI-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCCc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000823640158 606947884 /nfs/dbraw/zinc/94/78/84/606947884.db2.gz VRTPRKBKGOZQAB-UHFFFAOYSA-N -1 3 382.380 2.591 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCCc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000823640158 606947886 /nfs/dbraw/zinc/94/78/86/606947886.db2.gz VRTPRKBKGOZQAB-UHFFFAOYSA-N -1 3 382.380 2.591 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823417820 607079459 /nfs/dbraw/zinc/07/94/59/607079459.db2.gz JNMLISXIHFEMQY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823417820 607079461 /nfs/dbraw/zinc/07/94/61/607079461.db2.gz JNMLISXIHFEMQY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000820005485 607117836 /nfs/dbraw/zinc/11/78/36/607117836.db2.gz SCTWHPDBJJWTKB-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000820005485 607117837 /nfs/dbraw/zinc/11/78/37/607117837.db2.gz SCTWHPDBJJWTKB-UHFFFAOYSA-N -1 3 383.364 2.676 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000820005474 607117846 /nfs/dbraw/zinc/11/78/46/607117846.db2.gz RSSKUJNCUOZFLF-UHFFFAOYSA-N -1 3 389.393 2.737 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000820005474 607117848 /nfs/dbraw/zinc/11/78/48/607117848.db2.gz RSSKUJNCUOZFLF-UHFFFAOYSA-N -1 3 389.393 2.737 20 5 GFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823451016 607246590 /nfs/dbraw/zinc/24/65/90/607246590.db2.gz SIGAJDDOLHGWHX-UHFFFAOYSA-N -1 3 384.327 2.708 20 5 GFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823451016 607246591 /nfs/dbraw/zinc/24/65/91/607246591.db2.gz SIGAJDDOLHGWHX-UHFFFAOYSA-N -1 3 384.327 2.708 20 5 GFBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826004412 607848432 /nfs/dbraw/zinc/84/84/32/607848432.db2.gz WPECXCUDEVCUOZ-UHFFFAOYSA-N -1 3 384.787 2.872 20 5 GFBDHM CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826004412 607848433 /nfs/dbraw/zinc/84/84/33/607848433.db2.gz WPECXCUDEVCUOZ-UHFFFAOYSA-N -1 3 384.787 2.872 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826453429 607879407 /nfs/dbraw/zinc/87/94/07/607879407.db2.gz KLFVEVZTLGVERV-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826453429 607879408 /nfs/dbraw/zinc/87/94/08/607879408.db2.gz KLFVEVZTLGVERV-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1cccc(C(F)(F)F)n1 ZINC000826497804 607967547 /nfs/dbraw/zinc/96/75/47/607967547.db2.gz VLSCGGKFYUDYIG-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1cccc(C(F)(F)F)n1 ZINC000826497804 607967548 /nfs/dbraw/zinc/96/75/48/607967548.db2.gz VLSCGGKFYUDYIG-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000826455393 608120047 /nfs/dbraw/zinc/12/00/47/608120047.db2.gz LZFCKNYOCLZYMI-UHFFFAOYSA-N -1 3 392.335 2.543 20 5 GFBDHM CSc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccn1 ZINC000826229889 608161680 /nfs/dbraw/zinc/16/16/80/608161680.db2.gz VSMXDVCOLVKCPU-UHFFFAOYSA-N -1 3 391.800 2.798 20 5 GFBDHM CSc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccn1 ZINC000826229889 608161681 /nfs/dbraw/zinc/16/16/81/608161681.db2.gz VSMXDVCOLVKCPU-UHFFFAOYSA-N -1 3 391.800 2.798 20 5 GFBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826152140 608299629 /nfs/dbraw/zinc/29/96/29/608299629.db2.gz ROPAJWMORXWXLD-HNNXBMFYSA-N -1 3 376.323 2.853 20 5 GFBDHM COC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826152140 608299631 /nfs/dbraw/zinc/29/96/31/608299631.db2.gz ROPAJWMORXWXLD-HNNXBMFYSA-N -1 3 376.323 2.853 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478327 608432762 /nfs/dbraw/zinc/43/27/62/608432762.db2.gz GPUGXFLZJFTWOP-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478327 608432764 /nfs/dbraw/zinc/43/27/64/608432764.db2.gz GPUGXFLZJFTWOP-LLVKDONJSA-N -1 3 384.421 2.744 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000825480795 608436391 /nfs/dbraw/zinc/43/63/91/608436391.db2.gz LGAVKYIPSHDMAG-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000825480795 608436393 /nfs/dbraw/zinc/43/63/93/608436393.db2.gz LGAVKYIPSHDMAG-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000826341248 608471349 /nfs/dbraw/zinc/47/13/49/608471349.db2.gz BNOBIQPSUOCVJW-MNOVXSKESA-N -1 3 399.411 2.663 20 5 GFBDHM O=[N+]([O-])c1ccc2oc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000826499537 608531800 /nfs/dbraw/zinc/53/18/00/608531800.db2.gz MNKKVBGKZCFXPL-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM O=[N+]([O-])c1ccc2oc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826499537 608531801 /nfs/dbraw/zinc/53/18/01/608531801.db2.gz MNKKVBGKZCFXPL-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM O=C(Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000826459927 608572431 /nfs/dbraw/zinc/57/24/31/608572431.db2.gz FXGPDXBZFGINTO-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM O=C(Nc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000826459927 608572433 /nfs/dbraw/zinc/57/24/33/608572433.db2.gz FXGPDXBZFGINTO-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM CO[C@@H]1[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144328 608587982 /nfs/dbraw/zinc/58/79/82/608587982.db2.gz GUOBMITTXZSVML-JVZDSHEPSA-N -1 3 383.412 2.795 20 5 GFBDHM CO[C@@H]1[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144328 608587983 /nfs/dbraw/zinc/58/79/83/608587983.db2.gz GUOBMITTXZSVML-JVZDSHEPSA-N -1 3 383.412 2.795 20 5 GFBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826501069 609306721 /nfs/dbraw/zinc/30/67/21/609306721.db2.gz YCNIVONINPQETR-UHFFFAOYSA-N -1 3 377.158 2.511 20 5 GFBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826501069 609306722 /nfs/dbraw/zinc/30/67/22/609306722.db2.gz YCNIVONINPQETR-UHFFFAOYSA-N -1 3 377.158 2.511 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464560 609353310 /nfs/dbraw/zinc/35/33/10/609353310.db2.gz CBEWGJOZAGBJMS-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464560 609353313 /nfs/dbraw/zinc/35/33/13/609353313.db2.gz CBEWGJOZAGBJMS-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541958980 609370300 /nfs/dbraw/zinc/37/03/00/609370300.db2.gz HWKVKKMXPKYEBD-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541958980 609370304 /nfs/dbraw/zinc/37/03/04/609370304.db2.gz HWKVKKMXPKYEBD-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2I)s1 ZINC000031686859 654598048 /nfs/dbraw/zinc/59/80/48/654598048.db2.gz BBOYYKRCRCPPNK-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000044770864 654663813 /nfs/dbraw/zinc/66/38/13/654663813.db2.gz JQDAPBWEDPEINQ-NSHDSACASA-N -1 3 382.825 2.778 20 5 GFBDHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055956209 654784915 /nfs/dbraw/zinc/78/49/15/654784915.db2.gz USLKAWDIWFAFSS-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)nc1 ZINC000125182234 654789007 /nfs/dbraw/zinc/78/90/07/654789007.db2.gz GSCOEGPWKWKSRR-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCS1 ZINC000126200968 654809965 /nfs/dbraw/zinc/80/99/65/654809965.db2.gz SRCKFQIOYIOZRS-LBPRGKRZSA-N -1 3 395.300 2.921 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000127919572 654837263 /nfs/dbraw/zinc/83/72/63/654837263.db2.gz WMHIFOFUWZASDY-FZMZJTMJSA-N -1 3 376.862 2.858 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170656785 655144769 /nfs/dbraw/zinc/14/47/69/655144769.db2.gz MEWSQKJLUYHLLJ-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1C ZINC000765137143 656133374 /nfs/dbraw/zinc/13/33/74/656133374.db2.gz QHRGJBWXPCBULC-UHFFFAOYSA-N -1 3 379.423 2.522 20 5 GFBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768504794 656240705 /nfs/dbraw/zinc/24/07/05/656240705.db2.gz OUFBMKWXIICIHB-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768812122 656252339 /nfs/dbraw/zinc/25/23/39/656252339.db2.gz PCKOFQBONHYMSD-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000798225680 659084476 /nfs/dbraw/zinc/08/44/76/659084476.db2.gz GXDDAMBRIXLSKP-QWRGUYRKSA-N -1 3 393.868 2.786 20 5 GFBDHM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000800966447 659359816 /nfs/dbraw/zinc/35/98/16/659359816.db2.gz IOXNMNYBJIRRQN-OAHLLOKOSA-N -1 3 384.841 2.877 20 5 GFBDHM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834852 659947212 /nfs/dbraw/zinc/94/72/12/659947212.db2.gz GTNSDXBSYSWUMK-VIFPVBQESA-N -1 3 382.269 2.664 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034804 660105106 /nfs/dbraw/zinc/10/51/06/660105106.db2.gz CEAICPGLJNFALJ-QWRGUYRKSA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1(F)F ZINC000849461266 661730275 /nfs/dbraw/zinc/73/02/75/661730275.db2.gz WBHFVMSXHPJAES-SNVBAGLBSA-N -1 3 385.186 2.681 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000056035478 551175783 /nfs/dbraw/zinc/17/57/83/551175783.db2.gz LKDVXZNYSZIQJT-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000056076703 551176717 /nfs/dbraw/zinc/17/67/17/551176717.db2.gz GBCABJGIVWXHML-UHFFFAOYSA-N -1 3 376.843 2.839 20 5 GFBDHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162787148 551612784 /nfs/dbraw/zinc/61/27/84/551612784.db2.gz TYIIMLZDBILWOH-SNVBAGLBSA-N -1 3 383.392 2.622 20 5 GFBDHM CCCN(CC)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163409400 551619744 /nfs/dbraw/zinc/61/97/44/551619744.db2.gz VNJGETDQEDZDDC-UHFFFAOYSA-N -1 3 383.392 2.624 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173376463 552084522 /nfs/dbraw/zinc/08/45/22/552084522.db2.gz KHCJTPJZKCOLFA-HNNXBMFYSA-N -1 3 385.467 2.972 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C1CC1 ZINC000173468828 552086009 /nfs/dbraw/zinc/08/60/09/552086009.db2.gz KQQVWAXMOSBQHF-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2n1 ZINC000173679477 552091071 /nfs/dbraw/zinc/09/10/71/552091071.db2.gz UVSIKZVJNYVDAL-UHFFFAOYSA-N -1 3 379.419 2.692 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000175862535 552130399 /nfs/dbraw/zinc/13/03/99/552130399.db2.gz HMYHEOKZFIXMPR-CYBMUJFWSA-N -1 3 381.841 2.805 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000192729561 552972410 /nfs/dbraw/zinc/97/24/10/552972410.db2.gz YUPLVJFYFYFUMQ-UHFFFAOYSA-N -1 3 383.451 2.580 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000420729045 563280430 /nfs/dbraw/zinc/28/04/30/563280430.db2.gz BPYNQCUWGWLPHC-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282803777 563424854 /nfs/dbraw/zinc/42/48/54/563424854.db2.gz RSNMTXFKKIBDNT-ZDUSSCGKSA-N -1 3 384.845 2.646 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435216607 563645238 /nfs/dbraw/zinc/64/52/38/563645238.db2.gz ZUDTYYQMIHRKAQ-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290325724 563705384 /nfs/dbraw/zinc/70/53/84/563705384.db2.gz AINATHFMCXJNSR-UHFFFAOYSA-N -1 3 390.824 2.651 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077891 563735114 /nfs/dbraw/zinc/73/51/14/563735114.db2.gz KTXFBOJUNPAUMT-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM COC1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416491680 563837942 /nfs/dbraw/zinc/83/79/42/563837942.db2.gz YVZMLQKJDXLTBI-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000416610747 563853003 /nfs/dbraw/zinc/85/30/03/563853003.db2.gz AJAJVNNQRKHBNK-SECBINFHSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000446952611 563871074 /nfs/dbraw/zinc/87/10/74/563871074.db2.gz RBFVGTYDMPYAFD-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447027763 563872573 /nfs/dbraw/zinc/87/25/73/563872573.db2.gz MFGQULDLOJHMJP-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452009809 564381551 /nfs/dbraw/zinc/38/15/51/564381551.db2.gz AMVCORHPWNWBKV-JTQLQIEISA-N -1 3 382.360 2.709 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000572627818 564602578 /nfs/dbraw/zinc/60/25/78/564602578.db2.gz LLDRGXITHLFTEW-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925619 564661076 /nfs/dbraw/zinc/66/10/76/564661076.db2.gz GREVCIIUFBDVAZ-ONGXEEELSA-N -1 3 384.376 2.689 20 5 GFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490087073 564763120 /nfs/dbraw/zinc/76/31/20/564763120.db2.gz DNEAPYBQWZTWQG-CQSZACIVSA-N -1 3 376.862 2.714 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462494055 564843362 /nfs/dbraw/zinc/84/33/62/564843362.db2.gz XEBMJTSKESYLCR-WCBMZHEXSA-N -1 3 382.269 2.663 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000557855222 564883031 /nfs/dbraw/zinc/88/30/31/564883031.db2.gz POVDPMOSNZBJNS-QMMMGPOBSA-N -1 3 389.792 2.830 20 5 GFBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000558777505 564914345 /nfs/dbraw/zinc/91/43/45/564914345.db2.gz GTPYZWFVKZDUJQ-SNVBAGLBSA-N -1 3 381.273 2.530 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000467069170 564955154 /nfs/dbraw/zinc/95/51/54/564955154.db2.gz JCFFTAJJFUZGBX-YGWIHHTISA-N -1 3 388.492 2.742 20 5 GFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000467396188 564961571 /nfs/dbraw/zinc/96/15/71/564961571.db2.gz XQYYCQLUWRXNOC-UHFFFAOYSA-N -1 3 386.451 2.851 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1cccs1 ZINC000469242445 565010353 /nfs/dbraw/zinc/01/03/53/565010353.db2.gz OCWCJOOXNNTMFB-GFCCVEGCSA-N -1 3 384.435 2.873 20 5 GFBDHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614170 565050690 /nfs/dbraw/zinc/05/06/90/565050690.db2.gz TWLOJQDNYRIAQT-JHJVBQTASA-N -1 3 389.905 2.893 20 5 GFBDHM O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)c1 ZINC000584834813 565100289 /nfs/dbraw/zinc/10/02/89/565100289.db2.gz YNSMZOGZOCXXRZ-CYBMUJFWSA-N -1 3 397.225 2.592 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000619423482 565339808 /nfs/dbraw/zinc/33/98/08/565339808.db2.gz ICXLXUZKAACXBU-ZDUSSCGKSA-N -1 3 395.213 2.535 20 5 GFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000594850834 565429255 /nfs/dbraw/zinc/42/92/55/565429255.db2.gz GHSNVPOOJMDGNB-MWLCHTKSSA-N -1 3 382.360 2.850 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccs1 ZINC000609673688 566049150 /nfs/dbraw/zinc/04/91/50/566049150.db2.gz IZYVAYCARZAXIT-GFCCVEGCSA-N -1 3 384.435 2.547 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737373277 598888787 /nfs/dbraw/zinc/88/87/87/598888787.db2.gz SIUZRANVLFRZIC-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737373277 598888789 /nfs/dbraw/zinc/88/87/89/598888789.db2.gz SIUZRANVLFRZIC-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736827950 599043398 /nfs/dbraw/zinc/04/33/98/599043398.db2.gz DKPJFJCJSACFEZ-UHFFFAOYSA-N -1 3 379.302 2.825 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736827950 599043401 /nfs/dbraw/zinc/04/34/01/599043401.db2.gz DKPJFJCJSACFEZ-UHFFFAOYSA-N -1 3 379.302 2.825 20 5 GFBDHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000821346696 599071684 /nfs/dbraw/zinc/07/16/84/599071684.db2.gz NZFGODCFAJOBIX-SNVBAGLBSA-N -1 3 389.441 2.965 20 5 GFBDHM CCO[C@H](C)c1nc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000821346696 599071687 /nfs/dbraw/zinc/07/16/87/599071687.db2.gz NZFGODCFAJOBIX-SNVBAGLBSA-N -1 3 389.441 2.965 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820281169 599092349 /nfs/dbraw/zinc/09/23/49/599092349.db2.gz STPSKWCCMHULEV-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820281169 599092352 /nfs/dbraw/zinc/09/23/52/599092352.db2.gz STPSKWCCMHULEV-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823367271 607304332 /nfs/dbraw/zinc/30/43/32/607304332.db2.gz HWGCNTDHNCAXLA-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823367271 607304333 /nfs/dbraw/zinc/30/43/33/607304333.db2.gz HWGCNTDHNCAXLA-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737932601 598380795 /nfs/dbraw/zinc/38/07/95/598380795.db2.gz OJWONMQLNAKKSS-UHFFFAOYSA-N -1 3 388.384 2.786 20 5 GFBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737932601 598380797 /nfs/dbraw/zinc/38/07/97/598380797.db2.gz OJWONMQLNAKKSS-UHFFFAOYSA-N -1 3 388.384 2.786 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826231085 607360793 /nfs/dbraw/zinc/36/07/93/607360793.db2.gz WNRCCQORUKKAPL-UHFFFAOYSA-N -1 3 399.388 2.537 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826231085 607360795 /nfs/dbraw/zinc/36/07/95/607360795.db2.gz WNRCCQORUKKAPL-UHFFFAOYSA-N -1 3 399.388 2.537 20 5 GFBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735904715 598568205 /nfs/dbraw/zinc/56/82/05/598568205.db2.gz AGPRHWDIUQIJBR-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735904715 598568207 /nfs/dbraw/zinc/56/82/07/598568207.db2.gz AGPRHWDIUQIJBR-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738229791 598703812 /nfs/dbraw/zinc/70/38/12/598703812.db2.gz AHVJUSOMMLSYKN-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738229791 598703813 /nfs/dbraw/zinc/70/38/13/598703813.db2.gz AHVJUSOMMLSYKN-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736197933 598796922 /nfs/dbraw/zinc/79/69/22/598796922.db2.gz FEHVAMNSZYCMMI-CYBMUJFWSA-N -1 3 395.423 2.912 20 5 GFBDHM C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736197933 598796924 /nfs/dbraw/zinc/79/69/24/598796924.db2.gz FEHVAMNSZYCMMI-CYBMUJFWSA-N -1 3 395.423 2.912 20 5 GFBDHM O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000738367532 598817771 /nfs/dbraw/zinc/81/77/71/598817771.db2.gz VBDQWBNXNVWFQS-UHFFFAOYSA-N -1 3 380.393 2.566 20 5 GFBDHM O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000738367532 598817773 /nfs/dbraw/zinc/81/77/73/598817773.db2.gz VBDQWBNXNVWFQS-UHFFFAOYSA-N -1 3 380.393 2.566 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140648 599323276 /nfs/dbraw/zinc/32/32/76/599323276.db2.gz YRWSSBYCZBWGKK-LLVKDONJSA-N -1 3 395.379 2.905 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140648 599323277 /nfs/dbraw/zinc/32/32/77/599323277.db2.gz YRWSSBYCZBWGKK-LLVKDONJSA-N -1 3 395.379 2.905 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820385887 599523661 /nfs/dbraw/zinc/52/36/61/599523661.db2.gz VLDKMLGLQGNRTR-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820385887 599523663 /nfs/dbraw/zinc/52/36/63/599523663.db2.gz VLDKMLGLQGNRTR-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313311 599538115 /nfs/dbraw/zinc/53/81/15/599538115.db2.gz CRPQHGHQAAWZAU-GFCCVEGCSA-N -1 3 380.408 2.930 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313311 599538117 /nfs/dbraw/zinc/53/81/17/599538117.db2.gz CRPQHGHQAAWZAU-GFCCVEGCSA-N -1 3 380.408 2.930 20 5 GFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000822335874 599547569 /nfs/dbraw/zinc/54/75/69/599547569.db2.gz NBBVKWRYURYKGL-UHFFFAOYSA-N -1 3 391.391 2.544 20 5 GFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000822335874 599547571 /nfs/dbraw/zinc/54/75/71/599547571.db2.gz NBBVKWRYURYKGL-UHFFFAOYSA-N -1 3 391.391 2.544 20 5 GFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738308672 599951980 /nfs/dbraw/zinc/95/19/80/599951980.db2.gz ULOQUTAOPWDQOZ-UHFFFAOYSA-N -1 3 385.420 2.805 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826428133 607426608 /nfs/dbraw/zinc/42/66/08/607426608.db2.gz PSVQNBPLKUDKNW-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826428133 607426609 /nfs/dbraw/zinc/42/66/09/607426609.db2.gz PSVQNBPLKUDKNW-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171291 601013443 /nfs/dbraw/zinc/01/34/43/601013443.db2.gz NJQIHBBRQKKTHF-BBRMVZONSA-N -1 3 376.800 2.955 20 5 GFBDHM COc1ccc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395034 601202228 /nfs/dbraw/zinc/20/22/28/601202228.db2.gz ZHWDVVMBAXLQIO-KZULUSFZSA-N -1 3 387.392 2.594 20 5 GFBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CN1C1CC1 ZINC000833595860 605021898 /nfs/dbraw/zinc/02/18/98/605021898.db2.gz ARUKQBRABKMSLW-NEPJUHHUSA-N -1 3 393.465 2.517 20 5 GFBDHM CCc1cc(N2CCN(CCC(=O)[O-])C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833671874 605050211 /nfs/dbraw/zinc/05/02/11/605050211.db2.gz SPDWWTBPRMMGCN-CQSZACIVSA-N -1 3 399.451 2.599 20 5 GFBDHM CCc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476518 606130939 /nfs/dbraw/zinc/13/09/39/606130939.db2.gz OZUMZSPGDYJWNK-UHFFFAOYSA-N -1 3 383.364 2.573 20 5 GFBDHM C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820496663 606339048 /nfs/dbraw/zinc/33/90/48/606339048.db2.gz NTERNNHFWCTWGQ-LBPRGKRZSA-N -1 3 382.380 2.881 20 5 GFBDHM C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820496663 606339049 /nfs/dbraw/zinc/33/90/49/606339049.db2.gz NTERNNHFWCTWGQ-LBPRGKRZSA-N -1 3 382.380 2.881 20 5 GFBDHM CC(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044354 606471919 /nfs/dbraw/zinc/47/19/19/606471919.db2.gz GCVXEYFUSAXVKG-PIGZYNQJSA-N -1 3 383.412 2.796 20 5 GFBDHM CC(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044354 606471921 /nfs/dbraw/zinc/47/19/21/606471921.db2.gz GCVXEYFUSAXVKG-PIGZYNQJSA-N -1 3 383.412 2.796 20 5 GFBDHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820913885 606588815 /nfs/dbraw/zinc/58/88/15/606588815.db2.gz LLKFYBRVOINBRI-WBMJQRKESA-N -1 3 396.407 2.810 20 5 GFBDHM CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913885 606588817 /nfs/dbraw/zinc/58/88/17/606588817.db2.gz LLKFYBRVOINBRI-WBMJQRKESA-N -1 3 396.407 2.810 20 5 GFBDHM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821617107 606644800 /nfs/dbraw/zinc/64/48/00/606644800.db2.gz WZSUCEHFDRXFPD-UHFFFAOYSA-N -1 3 376.380 2.597 20 5 GFBDHM CC(C)c1nc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202418 606645367 /nfs/dbraw/zinc/64/53/67/606645367.db2.gz HXOVHPZZZHEHRL-NSHDSACASA-N -1 3 384.400 2.665 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820814478 606671850 /nfs/dbraw/zinc/67/18/50/606671850.db2.gz WMQHCJFJBGOXGQ-QMMMGPOBSA-N -1 3 386.318 2.645 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820814478 606671851 /nfs/dbraw/zinc/67/18/51/606671851.db2.gz WMQHCJFJBGOXGQ-QMMMGPOBSA-N -1 3 386.318 2.645 20 5 GFBDHM Cc1cc(C)n(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822197581 606723073 /nfs/dbraw/zinc/72/30/73/606723073.db2.gz GUJXANLMUZXJER-UHFFFAOYSA-N -1 3 391.395 2.585 20 5 GFBDHM Cc1cc(C)n(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822197581 606723074 /nfs/dbraw/zinc/72/30/74/606723074.db2.gz GUJXANLMUZXJER-UHFFFAOYSA-N -1 3 391.395 2.585 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823426943 606991407 /nfs/dbraw/zinc/99/14/07/606991407.db2.gz RRPXRDGAHCNZNT-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823426943 606991409 /nfs/dbraw/zinc/99/14/09/606991409.db2.gz RRPXRDGAHCNZNT-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM Cc1c(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822061513 607235662 /nfs/dbraw/zinc/23/56/62/607235662.db2.gz ORNKMNUCBCNHKP-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM Cc1c(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822061513 607235663 /nfs/dbraw/zinc/23/56/63/607235663.db2.gz ORNKMNUCBCNHKP-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM Cn1cc(-c2ccccc2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000826356271 607966665 /nfs/dbraw/zinc/96/66/65/607966665.db2.gz JJYPXDRLQDCHCT-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM Cn1cc(-c2ccccc2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000826356271 607966666 /nfs/dbraw/zinc/96/66/66/607966666.db2.gz JJYPXDRLQDCHCT-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826186380 608106558 /nfs/dbraw/zinc/10/65/58/608106558.db2.gz QABLZGBDRZZUKE-UHFFFAOYSA-N -1 3 379.336 2.517 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826186380 608106559 /nfs/dbraw/zinc/10/65/59/608106559.db2.gz QABLZGBDRZZUKE-UHFFFAOYSA-N -1 3 379.336 2.517 20 5 GFBDHM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826338378 608162015 /nfs/dbraw/zinc/16/20/15/608162015.db2.gz TYNYGVJNWMCMSP-LURJTMIESA-N -1 3 391.775 2.775 20 5 GFBDHM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826338378 608162016 /nfs/dbraw/zinc/16/20/16/608162016.db2.gz TYNYGVJNWMCMSP-LURJTMIESA-N -1 3 391.775 2.775 20 5 GFBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826189971 608239658 /nfs/dbraw/zinc/23/96/58/608239658.db2.gz LDDHYCAQWBFSGM-DIFFPNOSSA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826189971 608239659 /nfs/dbraw/zinc/23/96/59/608239659.db2.gz LDDHYCAQWBFSGM-DIFFPNOSSA-N -1 3 384.396 2.972 20 5 GFBDHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480275 608433211 /nfs/dbraw/zinc/43/32/11/608433211.db2.gz VEDVBGUYLCVXNO-GFCCVEGCSA-N -1 3 398.448 2.886 20 5 GFBDHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480275 608433213 /nfs/dbraw/zinc/43/32/13/608433213.db2.gz VEDVBGUYLCVXNO-GFCCVEGCSA-N -1 3 398.448 2.886 20 5 GFBDHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480277 608433353 /nfs/dbraw/zinc/43/33/53/608433353.db2.gz VEDVBGUYLCVXNO-LBPRGKRZSA-N -1 3 398.448 2.886 20 5 GFBDHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480277 608433355 /nfs/dbraw/zinc/43/33/55/608433355.db2.gz VEDVBGUYLCVXNO-LBPRGKRZSA-N -1 3 398.448 2.886 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826420965 608440371 /nfs/dbraw/zinc/44/03/71/608440371.db2.gz LIJNIHINDFAZCK-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826420965 608440372 /nfs/dbraw/zinc/44/03/72/608440372.db2.gz LIJNIHINDFAZCK-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1sccc1-c1nnn[n-]1 ZINC000826453408 608841344 /nfs/dbraw/zinc/84/13/44/608841344.db2.gz JUACUIFCHDEBPA-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1sccc1-c1nn[n-]n1 ZINC000826453408 608841345 /nfs/dbraw/zinc/84/13/45/608841345.db2.gz JUACUIFCHDEBPA-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825811769 609316268 /nfs/dbraw/zinc/31/62/68/609316268.db2.gz BKAZQNFVVLHJGL-UHFFFAOYSA-N -1 3 392.297 2.669 20 5 GFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825811769 609316271 /nfs/dbraw/zinc/31/62/71/609316271.db2.gz BKAZQNFVVLHJGL-UHFFFAOYSA-N -1 3 392.297 2.669 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466217 609353391 /nfs/dbraw/zinc/35/33/91/609353391.db2.gz TVTZAWHQLFLYJH-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466217 609353394 /nfs/dbraw/zinc/35/33/94/609353394.db2.gz TVTZAWHQLFLYJH-UHFFFAOYSA-N -1 3 375.291 2.610 20 5 GFBDHM C[C@H]1C[C@@H](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884636 609596125 /nfs/dbraw/zinc/59/61/25/609596125.db2.gz OTRAOCQWJCMQAI-RYUDHWBXSA-N -1 3 383.412 2.940 20 5 GFBDHM C[C@H]1C[C@@H](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884636 609596127 /nfs/dbraw/zinc/59/61/27/609596127.db2.gz OTRAOCQWJCMQAI-RYUDHWBXSA-N -1 3 383.412 2.940 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCO1 ZINC000157897233 655103016 /nfs/dbraw/zinc/10/30/16/655103016.db2.gz PUFKGYKULOMAJO-RYUDHWBXSA-N -1 3 393.259 2.593 20 5 GFBDHM O=C(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000113303255 655207754 /nfs/dbraw/zinc/20/77/54/655207754.db2.gz AKWFTISIAMMQIW-UHFFFAOYSA-N -1 3 383.813 2.555 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000119904688 655320708 /nfs/dbraw/zinc/32/07/08/655320708.db2.gz VDKOGQIAYMDWAR-NSHDSACASA-N -1 3 378.435 2.882 20 5 GFBDHM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180067118 655321645 /nfs/dbraw/zinc/32/16/45/655321645.db2.gz HNBJBEUVJFVOHV-UHFFFAOYSA-N -1 3 397.718 2.756 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F 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/nfs/dbraw/zinc/95/95/87/656959587.db2.gz XSRZGCVFAONFAK-INIZCTEOSA-N -1 3 384.841 2.743 20 5 GFBDHM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000790030100 657913805 /nfs/dbraw/zinc/91/38/05/657913805.db2.gz UDKFDDCPMLLSLK-UHFFFAOYSA-N -1 3 391.165 2.896 20 5 GFBDHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419000 658094239 /nfs/dbraw/zinc/09/42/39/658094239.db2.gz RMYNYARPLNBUHC-SECBINFHSA-N -1 3 382.269 2.664 20 5 GFBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000800207673 659290974 /nfs/dbraw/zinc/29/09/74/659290974.db2.gz BPJBRNVRRAHHEM-UHFFFAOYSA-N -1 3 377.154 2.986 20 5 GFBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000800207673 659290991 /nfs/dbraw/zinc/29/09/91/659290991.db2.gz BPJBRNVRRAHHEM-UHFFFAOYSA-N -1 3 377.154 2.986 20 5 GFBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000800207673 659291010 /nfs/dbraw/zinc/29/10/10/659291010.db2.gz BPJBRNVRRAHHEM-UHFFFAOYSA-N -1 3 377.154 2.986 20 5 GFBDHM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000800966927 659360150 /nfs/dbraw/zinc/36/01/50/659360150.db2.gz QAGTXTATDHSFLR-OAHLLOKOSA-N -1 3 384.841 2.877 20 5 GFBDHM CC(C)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809831342 659946473 /nfs/dbraw/zinc/94/64/73/659946473.db2.gz CWHLDFCOQRJQTH-JTQLQIEISA-N -1 3 379.841 2.538 20 5 GFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000154316473 551472045 /nfs/dbraw/zinc/47/20/45/551472045.db2.gz JWHAWMPAWXKJKD-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c(F)c1 ZINC000170788012 551639911 /nfs/dbraw/zinc/63/99/11/551639911.db2.gz UDVHPQYAEUNLNY-UHFFFAOYSA-N -1 3 385.442 2.590 20 5 GFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000173374430 552084670 /nfs/dbraw/zinc/08/46/70/552084670.db2.gz SVBNKHHXGHQGBC-OAHLLOKOSA-N -1 3 385.467 2.972 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C1CC1 ZINC000173466448 552086022 /nfs/dbraw/zinc/08/60/22/552086022.db2.gz ALCRXYYKKBRDTG-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1ncc(C)s1)C1CC1 ZINC000173488304 552086836 /nfs/dbraw/zinc/08/68/36/552086836.db2.gz NBISLCNAYCXCAO-AWEZNQCLSA-N -1 3 383.451 2.798 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000173535972 552087770 /nfs/dbraw/zinc/08/77/70/552087770.db2.gz PUBDNEKWFGFKIZ-STQMWFEESA-N -1 3 384.845 2.907 20 5 GFBDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725024 563279693 /nfs/dbraw/zinc/27/96/93/563279693.db2.gz LLYBNDSQEXOZIO-PWSUYJOCSA-N -1 3 393.259 2.593 20 5 GFBDHM CCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000289866607 563689555 /nfs/dbraw/zinc/68/95/55/563689555.db2.gz NLBKTNUJRAJCMQ-UHFFFAOYSA-N -1 3 379.225 2.597 20 5 GFBDHM COCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cs1 ZINC000290064427 563696765 /nfs/dbraw/zinc/69/67/65/563696765.db2.gz FNELXBFAIVOTGI-UHFFFAOYSA-N -1 3 391.858 2.638 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c(Cl)c1 ZINC000443290982 563799162 /nfs/dbraw/zinc/79/91/62/563799162.db2.gz ZXGZOZXMKWCAAN-LBPRGKRZSA-N -1 3 392.767 2.538 20 5 GFBDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418073 563825972 /nfs/dbraw/zinc/82/59/72/563825972.db2.gz ZOENCDVXHSZYPV-KOLCDFICSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000416468218 563833484 /nfs/dbraw/zinc/83/34/84/563833484.db2.gz XYRKIRLHJCCQQJ-SNVBAGLBSA-N -1 3 384.845 2.821 20 5 GFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447017631 563872532 /nfs/dbraw/zinc/87/25/32/563872532.db2.gz PRABLVMEZSUUJC-SNVBAGLBSA-N -1 3 395.275 2.841 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000472302155 564219705 /nfs/dbraw/zinc/21/97/05/564219705.db2.gz PQOZIXQSUDNQDR-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540322077 564244883 /nfs/dbraw/zinc/24/48/83/564244883.db2.gz FOTWSIYPRXQDMW-VIFPVBQESA-N -1 3 383.289 2.777 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000541931949 564295614 /nfs/dbraw/zinc/29/56/14/564295614.db2.gz GCIBACRZPUTJOY-UHFFFAOYSA-N -1 3 390.874 2.712 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CSc2ccccc21 ZINC000451616040 564332219 /nfs/dbraw/zinc/33/22/19/564332219.db2.gz YHEPPXNEDXBOOR-NSHDSACASA-N -1 3 380.447 2.771 20 5 GFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451648207 564335216 /nfs/dbraw/zinc/33/52/16/564335216.db2.gz OQYGBNVCVKLLDF-NSHDSACASA-N -1 3 384.376 2.847 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000476639905 564349184 /nfs/dbraw/zinc/34/91/84/564349184.db2.gz UIOPPDJCKFMROE-LURJTMIESA-N -1 3 391.165 2.834 20 5 GFBDHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779327 564410785 /nfs/dbraw/zinc/41/07/85/564410785.db2.gz PMQUBLLJBHNAQY-VXGBXAGGSA-N -1 3 375.516 2.691 20 5 GFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000489676639 564748320 /nfs/dbraw/zinc/74/83/20/564748320.db2.gz JRIAIOVZZWUIOW-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493472430 564807797 /nfs/dbraw/zinc/80/77/97/564807797.db2.gz KVXMDPVZKWAOGI-UHFFFAOYSA-N -1 3 381.248 2.609 20 5 GFBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000494352605 564825802 /nfs/dbraw/zinc/82/58/02/564825802.db2.gz VHFUXZDVINDZRN-LLVKDONJSA-N -1 3 393.259 2.593 20 5 GFBDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000462568332 564848621 /nfs/dbraw/zinc/84/86/21/564848621.db2.gz XXMBDGDEITWKML-ZANVPECISA-N -1 3 378.834 2.504 20 5 GFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000462627402 564853108 /nfs/dbraw/zinc/85/31/08/564853108.db2.gz POXLPWNLDBFAEX-UHFFFAOYSA-N -1 3 375.859 2.788 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000557856846 564882999 /nfs/dbraw/zinc/88/29/99/564882999.db2.gz APBGKJPTVWZSMS-AWEZNQCLSA-N -1 3 388.804 2.789 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617363 564889041 /nfs/dbraw/zinc/88/90/41/564889041.db2.gz ZDLXRPNGJVRXPQ-LBPRGKRZSA-N -1 3 389.886 2.891 20 5 GFBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498188839 564891227 /nfs/dbraw/zinc/89/12/27/564891227.db2.gz AMASNUIQTKNHHM-UHFFFAOYSA-N -1 3 392.361 2.914 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c(Cl)c1 ZINC000530904429 564898234 /nfs/dbraw/zinc/89/82/34/564898234.db2.gz RNZHWFPXLQYNJH-UHFFFAOYSA-N -1 3 392.767 2.884 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000559182850 564926820 /nfs/dbraw/zinc/92/68/20/564926820.db2.gz WBROFJLABBUKJH-MNOVXSKESA-N -1 3 381.223 2.835 20 5 GFBDHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560009917 564944585 /nfs/dbraw/zinc/94/45/85/564944585.db2.gz AHKISAJMWNCEFW-SECBINFHSA-N -1 3 378.248 2.746 20 5 GFBDHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560009924 564944874 /nfs/dbraw/zinc/94/48/74/564944874.db2.gz AHKISAJMWNCEFW-VIFPVBQESA-N -1 3 378.248 2.746 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048605 564954056 /nfs/dbraw/zinc/95/40/56/564954056.db2.gz UIXXTPLAXVXPPE-XJKSGUPXSA-N -1 3 381.479 2.688 20 5 GFBDHM COCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000584540561 565087099 /nfs/dbraw/zinc/08/70/99/565087099.db2.gz DEHNETZDQYGQBQ-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588144352 565129205 /nfs/dbraw/zinc/12/92/05/565129205.db2.gz FYPIPECSCRDLAA-LLVKDONJSA-N -1 3 390.870 2.673 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC000592107397 565257319 /nfs/dbraw/zinc/25/73/19/565257319.db2.gz CZNQDXHKCZWKHS-LPEHRKFASA-N -1 3 375.244 2.824 20 5 GFBDHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593566483 565342989 /nfs/dbraw/zinc/34/29/89/565342989.db2.gz HMBFDWFQCZQYMF-UHFFFAOYSA-N -1 3 385.829 2.563 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000595359561 565468562 /nfs/dbraw/zinc/46/85/62/565468562.db2.gz QBCJRFHACUSSLE-KPPDAEKUSA-N -1 3 378.397 2.938 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000599364566 565672603 /nfs/dbraw/zinc/67/26/03/565672603.db2.gz LXXWMBVESUOCGX-SNVBAGLBSA-N -1 3 382.360 2.709 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000603975908 565920819 /nfs/dbraw/zinc/92/08/19/565920819.db2.gz NRTNRWZCPJRMGR-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM O=C([N-]c1cc(N2CCCS2(=O)=O)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000604023568 565921598 /nfs/dbraw/zinc/92/15/98/565921598.db2.gz FIGWKGQCHMSDQT-UHFFFAOYSA-N -1 3 385.398 2.588 20 5 GFBDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038137 598889249 /nfs/dbraw/zinc/88/92/49/598889249.db2.gz SFMZSSXTHPTHOW-SZNGSJQDSA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038137 598889250 /nfs/dbraw/zinc/88/92/50/598889250.db2.gz SFMZSSXTHPTHOW-SZNGSJQDSA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820280714 599064386 /nfs/dbraw/zinc/06/43/86/599064386.db2.gz NENDBRLOCYALKX-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820280714 599064389 /nfs/dbraw/zinc/06/43/89/599064389.db2.gz NENDBRLOCYALKX-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM Cn1ccnc1C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000822699221 599091713 /nfs/dbraw/zinc/09/17/13/599091713.db2.gz SMNUQGAEDIAWDK-QGZVFWFLSA-N -1 3 390.407 2.904 20 5 GFBDHM Cn1ccnc1C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000822699221 599091714 /nfs/dbraw/zinc/09/17/14/599091714.db2.gz SMNUQGAEDIAWDK-QGZVFWFLSA-N -1 3 390.407 2.904 20 5 GFBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738262092 599118257 /nfs/dbraw/zinc/11/82/57/599118257.db2.gz ZULZPLMNZUMCPB-KRWDZBQOSA-N -1 3 382.405 2.663 20 5 GFBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738262092 599118259 /nfs/dbraw/zinc/11/82/59/599118259.db2.gz ZULZPLMNZUMCPB-KRWDZBQOSA-N -1 3 382.405 2.663 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(F)c1 ZINC000738368055 599166041 /nfs/dbraw/zinc/16/60/41/599166041.db2.gz ZNVKTHWXEPOHKD-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(F)c1 ZINC000738368055 599166044 /nfs/dbraw/zinc/16/60/44/599166044.db2.gz ZNVKTHWXEPOHKD-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737025065 599180250 /nfs/dbraw/zinc/18/02/50/599180250.db2.gz KXDVTLWTGHKECB-UHFFFAOYSA-N -1 3 389.755 2.585 20 5 GFBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737025065 599180253 /nfs/dbraw/zinc/18/02/53/599180253.db2.gz KXDVTLWTGHKECB-UHFFFAOYSA-N -1 3 389.755 2.585 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cccc1-c1nnn[n-]1 ZINC000822116673 607269191 /nfs/dbraw/zinc/26/91/91/607269191.db2.gz WBLBSADIJPGKJA-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cccc1-c1nn[n-]n1 ZINC000822116673 607269192 /nfs/dbraw/zinc/26/91/92/607269192.db2.gz WBLBSADIJPGKJA-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736201074 598255625 /nfs/dbraw/zinc/25/56/25/598255625.db2.gz GKDHUWCJAWVZME-ZDUSSCGKSA-N -1 3 397.414 2.797 20 5 GFBDHM CSc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737193715 598281919 /nfs/dbraw/zinc/28/19/19/598281919.db2.gz VUNGBUDMIKRLPG-UHFFFAOYSA-N -1 3 388.384 2.913 20 5 GFBDHM CSc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737193715 598281920 /nfs/dbraw/zinc/28/19/20/598281920.db2.gz VUNGBUDMIKRLPG-UHFFFAOYSA-N -1 3 388.384 2.913 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737511834 598339623 /nfs/dbraw/zinc/33/96/23/598339623.db2.gz PEUYNYSYFLDDMJ-ZDUSSCGKSA-N -1 3 388.819 2.812 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737511834 598339625 /nfs/dbraw/zinc/33/96/25/598339625.db2.gz PEUYNYSYFLDDMJ-ZDUSSCGKSA-N -1 3 388.819 2.812 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000738357629 598458093 /nfs/dbraw/zinc/45/80/93/598458093.db2.gz GSPCIKGWSBUPCQ-MRXNPFEDSA-N -1 3 388.334 2.631 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000738357629 598458095 /nfs/dbraw/zinc/45/80/95/598458095.db2.gz GSPCIKGWSBUPCQ-MRXNPFEDSA-N -1 3 388.334 2.631 20 5 GFBDHM COc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737088018 598537141 /nfs/dbraw/zinc/53/71/41/598537141.db2.gz PPMBHOWHNNCUOG-LLVKDONJSA-N -1 3 383.364 2.630 20 5 GFBDHM COc1ccc(CC(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737088018 598537143 /nfs/dbraw/zinc/53/71/43/598537143.db2.gz PPMBHOWHNNCUOG-LLVKDONJSA-N -1 3 383.364 2.630 20 5 GFBDHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737257732 598674379 /nfs/dbraw/zinc/67/43/79/598674379.db2.gz UQBBHGFGYXHIFC-OAHLLOKOSA-N -1 3 382.428 2.647 20 5 GFBDHM Cc1cc(C)n(C[C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737257732 598674381 /nfs/dbraw/zinc/67/43/81/598674381.db2.gz UQBBHGFGYXHIFC-OAHLLOKOSA-N -1 3 382.428 2.647 20 5 GFBDHM COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)c2c1 ZINC000737114224 598817923 /nfs/dbraw/zinc/81/79/23/598817923.db2.gz IKSIZLJCIGRUAI-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)c2c1 ZINC000737114224 598817924 /nfs/dbraw/zinc/81/79/24/598817924.db2.gz IKSIZLJCIGRUAI-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738368259 599398430 /nfs/dbraw/zinc/39/84/30/599398430.db2.gz BCBOEQTXJNKZAZ-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738368259 599398432 /nfs/dbraw/zinc/39/84/32/599398432.db2.gz BCBOEQTXJNKZAZ-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM CCn1nc(C)c(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1C ZINC000821568506 599521052 /nfs/dbraw/zinc/52/10/52/599521052.db2.gz XDVTZWTYKGPMQH-UHFFFAOYSA-N -1 3 393.411 2.768 20 5 GFBDHM CCn1nc(C)c(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1C ZINC000821568506 599521059 /nfs/dbraw/zinc/52/10/59/599521059.db2.gz XDVTZWTYKGPMQH-UHFFFAOYSA-N -1 3 393.411 2.768 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644689 599522330 /nfs/dbraw/zinc/52/23/30/599522330.db2.gz KORGNZNYYRGRQG-INIZCTEOSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)C3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644689 599522332 /nfs/dbraw/zinc/52/23/32/599522332.db2.gz KORGNZNYYRGRQG-INIZCTEOSA-N -1 3 383.412 2.676 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1-c1nnn[n-]1 ZINC000820169621 607407021 /nfs/dbraw/zinc/40/70/21/607407021.db2.gz KTKYGMSJXISUHI-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1-c1nn[n-]n1 ZINC000820169621 607407022 /nfs/dbraw/zinc/40/70/22/607407022.db2.gz KTKYGMSJXISUHI-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826427909 607422928 /nfs/dbraw/zinc/42/29/28/607422928.db2.gz GRBAHWPURJUUGA-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826427909 607422930 /nfs/dbraw/zinc/42/29/30/607422930.db2.gz GRBAHWPURJUUGA-UHFFFAOYSA-N -1 3 389.375 2.675 20 5 GFBDHM Cc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)cc3F)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198952 607454810 /nfs/dbraw/zinc/45/48/10/607454810.db2.gz PWLNTLSHEAQDER-RIYZIHGNSA-N -1 3 394.322 2.567 20 5 GFBDHM Cc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)cc3F)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198952 607454811 /nfs/dbraw/zinc/45/48/11/607454811.db2.gz PWLNTLSHEAQDER-RIYZIHGNSA-N -1 3 394.322 2.567 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826182935 607523814 /nfs/dbraw/zinc/52/38/14/607523814.db2.gz YRUZWPUTZHPLJE-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826286691 607525194 /nfs/dbraw/zinc/52/51/94/607525194.db2.gz MLXFJUUQOPEGTP-UHFFFAOYSA-N -1 3 378.801 2.979 20 5 GFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826286691 607525195 /nfs/dbraw/zinc/52/51/95/607525195.db2.gz MLXFJUUQOPEGTP-UHFFFAOYSA-N -1 3 378.801 2.979 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499835 607682191 /nfs/dbraw/zinc/68/21/91/607682191.db2.gz ZPTPESNLZJOTQG-QWHCGFSZSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([C@@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499835 607682192 /nfs/dbraw/zinc/68/21/92/607682192.db2.gz ZPTPESNLZJOTQG-QWHCGFSZSA-N -1 3 395.423 2.576 20 5 GFBDHM C[C@H]1CN(CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828449340 604776265 /nfs/dbraw/zinc/77/62/65/604776265.db2.gz KLDCXIWANLQWAG-RYUDHWBXSA-N -1 3 396.400 2.503 20 5 GFBDHM Cc1ccccc1[C@@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822350467 606139470 /nfs/dbraw/zinc/13/94/70/606139470.db2.gz DHFMSPIKWLDHIR-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccccc1[C@@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822350467 606139471 /nfs/dbraw/zinc/13/94/71/606139471.db2.gz DHFMSPIKWLDHIR-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM O=C1[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823512198 606244268 /nfs/dbraw/zinc/24/42/68/606244268.db2.gz MNHZRRHCNYIUGE-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823512198 606244270 /nfs/dbraw/zinc/24/42/70/606244270.db2.gz MNHZRRHCNYIUGE-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919658 606309062 /nfs/dbraw/zinc/30/90/62/606309062.db2.gz FHRNUKTXQIMJJI-DLBZAZTESA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@H](N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820919658 606309064 /nfs/dbraw/zinc/30/90/64/606309064.db2.gz FHRNUKTXQIMJJI-DLBZAZTESA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021210 606346883 /nfs/dbraw/zinc/34/68/83/606346883.db2.gz WZOSUZGSNCBJTO-SNVBAGLBSA-N -1 3 398.335 2.910 20 5 GFBDHM Cc1c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000822021210 606346885 /nfs/dbraw/zinc/34/68/85/606346885.db2.gz WZOSUZGSNCBJTO-SNVBAGLBSA-N -1 3 398.335 2.910 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000823639946 606461315 /nfs/dbraw/zinc/46/13/15/606461315.db2.gz MZQWKNBOLOTVIF-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ncccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000823639946 606461316 /nfs/dbraw/zinc/46/13/16/606461316.db2.gz MZQWKNBOLOTVIF-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000819928453 606724457 /nfs/dbraw/zinc/72/44/57/606724457.db2.gz PTEOGYMNQIPQGH-GFCCVEGCSA-N -1 3 388.428 2.723 20 5 GFBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000819928453 606724458 /nfs/dbraw/zinc/72/44/58/606724458.db2.gz PTEOGYMNQIPQGH-GFCCVEGCSA-N -1 3 388.428 2.723 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822270981 606793618 /nfs/dbraw/zinc/79/36/18/606793618.db2.gz GVVYKOFZOLPNSY-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822270981 606793620 /nfs/dbraw/zinc/79/36/20/606793620.db2.gz GVVYKOFZOLPNSY-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823401594 606949104 /nfs/dbraw/zinc/94/91/04/606949104.db2.gz XXCUACLLNYGTQX-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823401594 606949105 /nfs/dbraw/zinc/94/91/05/606949105.db2.gz XXCUACLLNYGTQX-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000821574503 606971685 /nfs/dbraw/zinc/97/16/85/606971685.db2.gz JIKZEOUTSHRJGS-UHFFFAOYSA-N -1 3 393.407 2.652 20 5 GFBDHM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000821574503 606971686 /nfs/dbraw/zinc/97/16/86/606971686.db2.gz JIKZEOUTSHRJGS-UHFFFAOYSA-N -1 3 393.407 2.652 20 5 GFBDHM COC(=O)C=Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821657629 607128552 /nfs/dbraw/zinc/12/85/52/607128552.db2.gz RRXDIRMPYILHIL-XVNBXDOJSA-N -1 3 385.311 2.893 20 5 GFBDHM COC(=O)C=Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821657629 607128553 /nfs/dbraw/zinc/12/85/53/607128553.db2.gz RRXDIRMPYILHIL-XVNBXDOJSA-N -1 3 385.311 2.893 20 5 GFBDHM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824199707 607819726 /nfs/dbraw/zinc/81/97/26/607819726.db2.gz LWNOKKVDBGMJJQ-MRXNPFEDSA-N -1 3 385.428 2.778 20 5 GFBDHM CC(C)[C@@H](O)C(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824199707 607819727 /nfs/dbraw/zinc/81/97/27/607819727.db2.gz LWNOKKVDBGMJJQ-MRXNPFEDSA-N -1 3 385.428 2.778 20 5 GFBDHM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c2ncc([N+](=O)[O-])cc12 ZINC000826334942 607848947 /nfs/dbraw/zinc/84/89/47/607848947.db2.gz PZEQPBNVFMYPHM-UHFFFAOYSA-N -1 3 399.802 2.575 20 5 GFBDHM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c2ncc([N+](=O)[O-])cc12 ZINC000826334942 607848948 /nfs/dbraw/zinc/84/89/48/607848948.db2.gz PZEQPBNVFMYPHM-UHFFFAOYSA-N -1 3 399.802 2.575 20 5 GFBDHM Cc1ccc(C)c(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000826284912 607870211 /nfs/dbraw/zinc/87/02/11/607870211.db2.gz JULTYAYGOFAWDO-OAHLLOKOSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1ccc(C)c(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000826284912 607870212 /nfs/dbraw/zinc/87/02/12/607870212.db2.gz JULTYAYGOFAWDO-OAHLLOKOSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cccc1-c1nnn[n-]1 ZINC000826241435 607994885 /nfs/dbraw/zinc/99/48/85/607994885.db2.gz DBLJAHJJUYEPGJ-UHFFFAOYSA-N -1 3 377.364 2.746 20 5 GFBDHM Cc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cccc1-c1nn[n-]n1 ZINC000826241435 607994886 /nfs/dbraw/zinc/99/48/86/607994886.db2.gz DBLJAHJJUYEPGJ-UHFFFAOYSA-N -1 3 377.364 2.746 20 5 GFBDHM COc1ccccc1OC[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826220657 608124313 /nfs/dbraw/zinc/12/43/13/608124313.db2.gz VKNGBGYSMPHRNS-GFCCVEGCSA-N -1 3 384.396 2.911 20 5 GFBDHM COc1ccccc1OC[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826220657 608124314 /nfs/dbraw/zinc/12/43/14/608124314.db2.gz VKNGBGYSMPHRNS-GFCCVEGCSA-N -1 3 384.396 2.911 20 5 GFBDHM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909494 608161005 /nfs/dbraw/zinc/16/10/05/608161005.db2.gz UHDQTQNRQCNBSD-WPRPVWTQSA-N -1 3 380.792 2.715 20 5 GFBDHM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909494 608161008 /nfs/dbraw/zinc/16/10/08/608161008.db2.gz UHDQTQNRQCNBSD-WPRPVWTQSA-N -1 3 380.792 2.715 20 5 GFBDHM Cc1ccc(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826281241 608161633 /nfs/dbraw/zinc/16/16/33/608161633.db2.gz KNYTUOLJBYVQIY-UHFFFAOYSA-N -1 3 386.755 2.558 20 5 GFBDHM Cc1ccc(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826281241 608161635 /nfs/dbraw/zinc/16/16/35/608161635.db2.gz KNYTUOLJBYVQIY-UHFFFAOYSA-N -1 3 386.755 2.558 20 5 GFBDHM CC(C)c1nn(C)cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824364601 608162755 /nfs/dbraw/zinc/16/27/55/608162755.db2.gz MYOIHRLJDJRXOG-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM CC(C)c1nn(C)cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824364601 608162756 /nfs/dbraw/zinc/16/27/56/608162756.db2.gz MYOIHRLJDJRXOG-UHFFFAOYSA-N -1 3 390.791 2.538 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826441301 608164989 /nfs/dbraw/zinc/16/49/89/608164989.db2.gz XXIDIEWOZMPEFT-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826441301 608164991 /nfs/dbraw/zinc/16/49/91/608164991.db2.gz XXIDIEWOZMPEFT-UHFFFAOYSA-N -1 3 393.407 2.649 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826272831 608336757 /nfs/dbraw/zinc/33/67/57/608336757.db2.gz DEGJOVWHFKHWQV-VOTSOKGWSA-N -1 3 376.376 2.686 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826272831 608336759 /nfs/dbraw/zinc/33/67/59/608336759.db2.gz DEGJOVWHFKHWQV-VOTSOKGWSA-N -1 3 376.376 2.686 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824492440 608405562 /nfs/dbraw/zinc/40/55/62/608405562.db2.gz YPVYVDQMIDKWMM-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824492440 608405564 /nfs/dbraw/zinc/40/55/64/608405564.db2.gz YPVYVDQMIDKWMM-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474271 608487075 /nfs/dbraw/zinc/48/70/75/608487075.db2.gz IYXCBFPKNMYDJH-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474271 608487078 /nfs/dbraw/zinc/48/70/78/608487078.db2.gz IYXCBFPKNMYDJH-UHFFFAOYSA-N -1 3 376.376 2.704 20 5 GFBDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000824499036 608537746 /nfs/dbraw/zinc/53/77/46/608537746.db2.gz MUFLBLIGAADJMR-GFCCVEGCSA-N -1 3 393.407 2.824 20 5 GFBDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000824499036 608537747 /nfs/dbraw/zinc/53/77/47/608537747.db2.gz MUFLBLIGAADJMR-GFCCVEGCSA-N -1 3 393.407 2.824 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000824634679 608563644 /nfs/dbraw/zinc/56/36/44/608563644.db2.gz WULIHOSELIGQMA-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000824634679 608563645 /nfs/dbraw/zinc/56/36/45/608563645.db2.gz WULIHOSELIGQMA-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000825481275 609179485 /nfs/dbraw/zinc/17/94/85/609179485.db2.gz VQBSGAWCYBEMTR-UHFFFAOYSA-N -1 3 396.411 2.566 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826401683 609329334 /nfs/dbraw/zinc/32/93/34/609329334.db2.gz DSBORHAMJBMJAG-VURMDHGXSA-N -1 3 398.810 2.800 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826401683 609329336 /nfs/dbraw/zinc/32/93/36/609329336.db2.gz DSBORHAMJBMJAG-VURMDHGXSA-N -1 3 398.810 2.800 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464820 609353325 /nfs/dbraw/zinc/35/33/25/609353325.db2.gz NQXSUJDSOLQXHI-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826464820 609353328 /nfs/dbraw/zinc/35/33/28/609353328.db2.gz NQXSUJDSOLQXHI-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826456878 609372075 /nfs/dbraw/zinc/37/20/75/609372075.db2.gz CEIJHXAGHSQWOF-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826456878 609372080 /nfs/dbraw/zinc/37/20/80/609372080.db2.gz CEIJHXAGHSQWOF-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000826185352 609499247 /nfs/dbraw/zinc/49/92/47/609499247.db2.gz HRPDRRZNZXTXEG-LUAWRHEFSA-N -1 3 380.364 2.826 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000826185352 609499249 /nfs/dbraw/zinc/49/92/49/609499249.db2.gz HRPDRRZNZXTXEG-LUAWRHEFSA-N -1 3 380.364 2.826 20 5 GFBDHM Cc1ccnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1-c1nnn[n-]1 ZINC000826309840 609564241 /nfs/dbraw/zinc/56/42/41/609564241.db2.gz CZSCAXQWTHYOAE-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM Cc1ccnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1-c1nn[n-]n1 ZINC000826309840 609564243 /nfs/dbraw/zinc/56/42/43/609564243.db2.gz CZSCAXQWTHYOAE-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000828373776 660545523 /nfs/dbraw/zinc/54/55/23/660545523.db2.gz IOWAEILHEUKPQL-OPRDCNLKSA-N -1 3 375.244 2.824 20 5 GFBDHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000831834834 660730691 /nfs/dbraw/zinc/73/06/91/660730691.db2.gz LHFQWEQTXOIZHG-UHFFFAOYSA-N -1 3 394.240 2.622 20 5 GFBDHM Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000007357410 654469659 /nfs/dbraw/zinc/46/96/59/654469659.db2.gz QDPFQMSDSLGFIC-UHFFFAOYSA-N -1 3 377.300 2.876 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000036136980 654611715 /nfs/dbraw/zinc/61/17/15/654611715.db2.gz IBEMDYARPMQMFX-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000127920257 654837618 /nfs/dbraw/zinc/83/76/18/654837618.db2.gz WMHIFOFUWZASDY-BXUZGUMPSA-N -1 3 376.862 2.858 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000129207002 654860372 /nfs/dbraw/zinc/86/03/72/654860372.db2.gz DIYUZYUFOVVXRR-NHYWBVRUSA-N -1 3 384.841 2.519 20 5 GFBDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000134446702 654993245 /nfs/dbraw/zinc/99/32/45/654993245.db2.gz PDDHYBPOQVIZSV-QMMMGPOBSA-N -1 3 383.813 2.955 20 5 GFBDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271313784 655075786 /nfs/dbraw/zinc/07/57/86/655075786.db2.gz ZUQSRMGXGDTTBZ-UWVGGRQHSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1[N+](=O)[O-] ZINC000165465283 655140422 /nfs/dbraw/zinc/14/04/22/655140422.db2.gz FWSXXSNLJOSIHR-UHFFFAOYSA-N -1 3 399.841 2.867 20 5 GFBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000173049489 655162182 /nfs/dbraw/zinc/16/21/82/655162182.db2.gz GJLUFFYPAZEWRI-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815623 655578745 /nfs/dbraw/zinc/57/87/45/655578745.db2.gz ZURRKMIBVBUFQN-TXEJJXNPSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815620 655578754 /nfs/dbraw/zinc/57/87/54/655578754.db2.gz ZURRKMIBVBUFQN-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)cc12 ZINC000753954177 655861449 /nfs/dbraw/zinc/86/14/49/655861449.db2.gz QAJJRQSXVLIEKV-UHFFFAOYSA-N -1 3 381.801 2.639 20 5 GFBDHM C[C@@H]1CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822344 659943338 /nfs/dbraw/zinc/94/33/38/659943338.db2.gz IEYZQTNOICNQDN-SECBINFHSA-N -1 3 382.269 2.522 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCNc2ccccn2)c(Cl)cc1Cl ZINC000809825249 659944425 /nfs/dbraw/zinc/94/44/25/659944425.db2.gz CKLSBUUISMIUKF-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000814988705 660100044 /nfs/dbraw/zinc/10/00/44/660100044.db2.gz SPXVPPDUXHGTID-GHMZBOCLSA-N -1 3 393.868 2.786 20 5 GFBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000841564354 661303131 /nfs/dbraw/zinc/30/31/31/661303131.db2.gz PXTTVDVEYWHNNY-SECBINFHSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000845975853 661514996 /nfs/dbraw/zinc/51/49/96/661514996.db2.gz CEKYVVQIJYAIOG-MEDUHNTESA-N -1 3 384.841 2.823 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccn1C ZINC000851856422 661839281 /nfs/dbraw/zinc/83/92/81/661839281.db2.gz QDLMCYZLWLNOSY-ZETCQYMHSA-N -1 3 379.225 2.675 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1Br ZINC000856747188 662040933 /nfs/dbraw/zinc/04/09/33/662040933.db2.gz KTDFDEVGTVBLKO-SSDOTTSWSA-N -1 3 385.186 2.681 20 5 GFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC(F)(F)C1 ZINC000872667925 662784420 /nfs/dbraw/zinc/78/44/20/662784420.db2.gz SAZVPXPPCGHHGB-UHFFFAOYSA-N -1 3 385.186 2.823 20 5 GFBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000053691055 551167793 /nfs/dbraw/zinc/16/77/93/551167793.db2.gz OWDIRFIVSAOFNG-UHFFFAOYSA-N -1 3 383.857 2.659 20 5 GFBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000172182878 551672531 /nfs/dbraw/zinc/67/25/31/551672531.db2.gz CJNSAHFMWNCFNQ-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443147147 563793106 /nfs/dbraw/zinc/79/31/06/563793106.db2.gz VEGVAFNIUDDQTE-NWDGAFQWSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173475091 552086116 /nfs/dbraw/zinc/08/61/16/552086116.db2.gz GHXNPPWKVDSAOE-VIFPVBQESA-N -1 3 386.861 2.508 20 5 GFBDHM Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181504570 552259065 /nfs/dbraw/zinc/25/90/65/552259065.db2.gz UTMDBQUBKIFERS-UHFFFAOYSA-N -1 3 386.861 2.510 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186184585 552380938 /nfs/dbraw/zinc/38/09/38/552380938.db2.gz PRZUQCAGDOGUEK-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000191368033 552526360 /nfs/dbraw/zinc/52/63/60/552526360.db2.gz HWHYTCAHPSVLMV-JTQLQIEISA-N -1 3 389.886 2.939 20 5 GFBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538663 563216680 /nfs/dbraw/zinc/21/66/80/563216680.db2.gz DMFWFSAWDWGKIQ-HZMBPMFUSA-N -1 3 387.508 2.689 20 5 GFBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000420728827 563279353 /nfs/dbraw/zinc/27/93/53/563279353.db2.gz PYCBVQZODNYIRL-QWRGUYRKSA-N -1 3 382.360 2.850 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000327489838 563458442 /nfs/dbraw/zinc/45/84/42/563458442.db2.gz LGAWGNAAVBHXHN-ZDUSSCGKSA-N -1 3 392.861 2.893 20 5 GFBDHM Cn1ccnc1-c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000378385574 563505207 /nfs/dbraw/zinc/50/52/07/563505207.db2.gz ROCBIHFVENSZMQ-UHFFFAOYSA-N -1 3 378.435 2.535 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCc2nc3c(cccc3C)o2)cc1[N+](=O)[O-] ZINC000410325422 563586865 /nfs/dbraw/zinc/58/68/65/563586865.db2.gz YMEFHPIUYJNXPU-UHFFFAOYSA-N -1 3 381.435 2.935 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291863592 563762159 /nfs/dbraw/zinc/76/21/59/563762159.db2.gz FLKCVZGMIQFXFQ-BDJLRTHQSA-N -1 3 382.463 2.778 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000443730787 563811029 /nfs/dbraw/zinc/81/10/29/563811029.db2.gz HLOYECFIOOYLOL-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCc1cscn1 ZINC000416406184 563823640 /nfs/dbraw/zinc/82/36/40/563823640.db2.gz DXKTWIFDNFJWOH-UHFFFAOYSA-N -1 3 381.357 2.591 20 5 GFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490422 563838007 /nfs/dbraw/zinc/83/80/07/563838007.db2.gz VQKBAQGBXRQGDW-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM CN1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552731 563847011 /nfs/dbraw/zinc/84/70/11/563847011.db2.gz HXMDAXFJLWMGCI-JTQLQIEISA-N -1 3 396.296 2.912 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000416644431 563857107 /nfs/dbraw/zinc/85/71/07/563857107.db2.gz IPHFRQVMAJLVID-NSHDSACASA-N -1 3 395.275 2.697 20 5 GFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000447036887 563873257 /nfs/dbraw/zinc/87/32/57/563873257.db2.gz HKXFWRJJRCHHCV-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931729 563891322 /nfs/dbraw/zinc/89/13/22/563891322.db2.gz OYFLFLCNIUGKEK-AWEZNQCLSA-N -1 3 375.878 2.647 20 5 GFBDHM CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br ZINC000471368740 564193865 /nfs/dbraw/zinc/19/38/65/564193865.db2.gz HZHFBHSFRJUZLV-UHFFFAOYSA-N -1 3 395.213 2.772 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c(Cl)c1 ZINC000542322720 564310670 /nfs/dbraw/zinc/31/06/70/564310670.db2.gz WQLBFUJOMICEIO-CQSZACIVSA-N -1 3 384.841 2.520 20 5 GFBDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000510369416 564330802 /nfs/dbraw/zinc/33/08/02/564330802.db2.gz NGTVVDPMMAXXOA-UHFFFAOYSA-N -1 3 390.845 2.648 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000451643928 564335321 /nfs/dbraw/zinc/33/53/21/564335321.db2.gz WIRUZMKWGNXCGX-SECBINFHSA-N -1 3 382.360 2.846 20 5 GFBDHM CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCCC1 ZINC000567169251 564360023 /nfs/dbraw/zinc/36/00/23/564360023.db2.gz KOOMFCFNTJTVFO-ZIAGYGMSSA-N -1 3 385.873 2.606 20 5 GFBDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000478767201 564414871 /nfs/dbraw/zinc/41/48/71/564414871.db2.gz YKCLMSXBXSUWMM-OAHLLOKOSA-N -1 3 392.861 2.894 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000478872257 564417065 /nfs/dbraw/zinc/41/70/65/564417065.db2.gz WDLKXTFXBOWPAH-AWEZNQCLSA-N -1 3 383.495 2.854 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000478872258 564417460 /nfs/dbraw/zinc/41/74/60/564417460.db2.gz WDLKXTFXBOWPAH-CQSZACIVSA-N -1 3 383.495 2.854 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000480209227 564464270 /nfs/dbraw/zinc/46/42/70/564464270.db2.gz MHGWWRUAJVDFGS-UHFFFAOYSA-N -1 3 394.228 2.629 20 5 GFBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000480738573 564485628 /nfs/dbraw/zinc/48/56/28/564485628.db2.gz KUNVRSWCRVOBBC-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c1C ZINC000480869579 564492441 /nfs/dbraw/zinc/49/24/41/564492441.db2.gz JPXFDMCJRMGRSX-UHFFFAOYSA-N -1 3 385.829 2.617 20 5 GFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000480927685 564496498 /nfs/dbraw/zinc/49/64/98/564496498.db2.gz BUYSVCAXMZZOCH-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=C([O-])CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1 ZINC000571529863 564555674 /nfs/dbraw/zinc/55/56/74/564555674.db2.gz AEHIXFWVCULWTM-UHFFFAOYSA-N -1 3 397.229 2.531 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000485949982 564632815 /nfs/dbraw/zinc/63/28/15/564632815.db2.gz DEULNHFFUAJMBI-UHFFFAOYSA-N -1 3 389.455 2.746 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486108043 564639486 /nfs/dbraw/zinc/63/94/86/564639486.db2.gz JXNYGKFONHHLEO-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000554913340 564777125 /nfs/dbraw/zinc/77/71/25/564777125.db2.gz WDONMELHEDQKLS-JTQLQIEISA-N -1 3 383.392 2.621 20 5 GFBDHM Cc1csc(Sc2ccc(C(=O)[N-]c3ncn(C)n3)cc2[N+](=O)[O-])n1 ZINC000557121813 564855180 /nfs/dbraw/zinc/85/51/80/564855180.db2.gz NOZQOAZICGZMSM-UHFFFAOYSA-N -1 3 376.423 2.892 20 5 GFBDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464375097 564904850 /nfs/dbraw/zinc/90/48/50/564904850.db2.gz IMWNIKQRXYXDOC-ZCFIWIBFSA-N -1 3 391.165 2.977 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000467390923 564961833 /nfs/dbraw/zinc/96/18/33/564961833.db2.gz ABBZTRWMKXSQJR-LBPRGKRZSA-N -1 3 375.497 2.607 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467397560 564961962 /nfs/dbraw/zinc/96/19/62/564961962.db2.gz XUTBHCTXVKCFHL-NSHDSACASA-N -1 3 381.479 2.694 20 5 GFBDHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819389 564973255 /nfs/dbraw/zinc/97/32/55/564973255.db2.gz NHLISDVFIFMCFA-OAHLLOKOSA-N -1 3 381.841 2.713 20 5 GFBDHM CSc1ccccc1[N-]C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000468250223 564981227 /nfs/dbraw/zinc/98/12/27/564981227.db2.gz KEVUVZZNMUCKIV-UHFFFAOYSA-N -1 3 381.435 2.525 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000619490777 565345095 /nfs/dbraw/zinc/34/50/95/565345095.db2.gz GYMIHBCSWRPMCA-LLVKDONJSA-N -1 3 384.797 2.669 20 5 GFBDHM O=[N+]([O-])c1sccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000619651845 565353938 /nfs/dbraw/zinc/35/39/38/565353938.db2.gz BZURWEAOTJHICM-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593654717 565354066 /nfs/dbraw/zinc/35/40/66/565354066.db2.gz VQQWMJFJLYVVJU-SECBINFHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459855 565680618 /nfs/dbraw/zinc/68/06/18/565680618.db2.gz OSFCVMVARBZASZ-LOKDSWTASA-N -1 3 382.360 2.704 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000603975575 565920930 /nfs/dbraw/zinc/92/09/30/565920930.db2.gz BKBLFVRRLYZZNZ-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM Cc1cccc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1C ZINC000822299927 599048524 /nfs/dbraw/zinc/04/85/24/599048524.db2.gz ZMVOFENRIMZRFF-UHFFFAOYSA-N -1 3 394.435 2.880 20 5 GFBDHM Cc1cccc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1C ZINC000822299927 599048527 /nfs/dbraw/zinc/04/85/27/599048527.db2.gz ZMVOFENRIMZRFF-UHFFFAOYSA-N -1 3 394.435 2.880 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281338 599063765 /nfs/dbraw/zinc/06/37/65/599063765.db2.gz VQVJKFKDWMWSCJ-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281338 599063768 /nfs/dbraw/zinc/06/37/68/599063768.db2.gz VQVJKFKDWMWSCJ-VIFPVBQESA-N -1 3 375.776 2.703 20 5 GFBDHM CC(C)[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820045537 599097723 /nfs/dbraw/zinc/09/77/23/599097723.db2.gz NBTWVWRAVURBHC-OAHLLOKOSA-N -1 3 385.453 2.901 20 5 GFBDHM CC(C)[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820045537 599097725 /nfs/dbraw/zinc/09/77/25/599097725.db2.gz NBTWVWRAVURBHC-OAHLLOKOSA-N -1 3 385.453 2.901 20 5 GFBDHM CCc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000821487068 599099272 /nfs/dbraw/zinc/09/92/72/599099272.db2.gz PGSDBFSKVFZPGL-UHFFFAOYSA-N -1 3 379.424 2.664 20 5 GFBDHM CCc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000821487068 599099275 /nfs/dbraw/zinc/09/92/75/599099275.db2.gz PGSDBFSKVFZPGL-UHFFFAOYSA-N -1 3 379.424 2.664 20 5 GFBDHM Cc1cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1[N+](=O)[O-] ZINC000737280222 599162478 /nfs/dbraw/zinc/16/24/78/599162478.db2.gz OIBYPCCCLLLBSI-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1[N+](=O)[O-] ZINC000737280222 599162480 /nfs/dbraw/zinc/16/24/80/599162480.db2.gz OIBYPCCCLLLBSI-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM CCOc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c([N+](=O)[O-])cc1OC ZINC000821394153 607296361 /nfs/dbraw/zinc/29/63/61/607296361.db2.gz IEHGXKVOJJMPOH-UHFFFAOYSA-N -1 3 398.379 2.743 20 5 GFBDHM CCOc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c([N+](=O)[O-])cc1OC ZINC000821394153 607296362 /nfs/dbraw/zinc/29/63/62/607296362.db2.gz IEHGXKVOJJMPOH-UHFFFAOYSA-N -1 3 398.379 2.743 20 5 GFBDHM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738209910 598437350 /nfs/dbraw/zinc/43/73/50/598437350.db2.gz JIGTXOOAIPLQEI-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738209910 598437351 /nfs/dbraw/zinc/43/73/51/598437351.db2.gz JIGTXOOAIPLQEI-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737024513 598568795 /nfs/dbraw/zinc/56/87/95/598568795.db2.gz IXHVJUMLOLFBSZ-UHFFFAOYSA-N -1 3 393.718 2.795 20 5 GFBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737024513 598568796 /nfs/dbraw/zinc/56/87/96/598568796.db2.gz IXHVJUMLOLFBSZ-UHFFFAOYSA-N -1 3 393.718 2.795 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000738369187 598653852 /nfs/dbraw/zinc/65/38/52/598653852.db2.gz JDUSTBRIIDNJGS-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1 ZINC000738369187 598653854 /nfs/dbraw/zinc/65/38/54/598653854.db2.gz JDUSTBRIIDNJGS-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCOc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000738359673 598758092 /nfs/dbraw/zinc/75/80/92/598758092.db2.gz LPQVFRAWYBEMQL-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000823643839 599457489 /nfs/dbraw/zinc/45/74/89/599457489.db2.gz CONDHNXQVKFSKX-UHFFFAOYSA-N -1 3 394.313 2.805 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820341752 599480434 /nfs/dbraw/zinc/48/04/34/599480434.db2.gz RIMIIJRKHDINJX-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820341752 599480437 /nfs/dbraw/zinc/48/04/37/599480437.db2.gz RIMIIJRKHDINJX-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCc3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645938 607384225 /nfs/dbraw/zinc/38/42/25/607384225.db2.gz XASZRBXTGBPTQD-UHFFFAOYSA-N -1 3 376.380 2.763 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCc3ccccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645938 607384227 /nfs/dbraw/zinc/38/42/27/607384227.db2.gz XASZRBXTGBPTQD-UHFFFAOYSA-N -1 3 376.380 2.763 20 5 GFBDHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000821593796 599629647 /nfs/dbraw/zinc/62/96/47/599629647.db2.gz KLNMCENENCGOQK-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000821593796 599629648 /nfs/dbraw/zinc/62/96/48/599629648.db2.gz KLNMCENENCGOQK-UHFFFAOYSA-N -1 3 387.787 2.503 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823083150 599632370 /nfs/dbraw/zinc/63/23/70/599632370.db2.gz YZLFKXNTNHGNMR-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823083150 599632371 /nfs/dbraw/zinc/63/23/71/599632371.db2.gz YZLFKXNTNHGNMR-UHFFFAOYSA-N -1 3 392.297 2.975 20 5 GFBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823043695 599695366 /nfs/dbraw/zinc/69/53/66/599695366.db2.gz GFVMSFVTIIELRP-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823043695 599695367 /nfs/dbraw/zinc/69/53/67/599695367.db2.gz GFVMSFVTIIELRP-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826291245 607391231 /nfs/dbraw/zinc/39/12/31/607391231.db2.gz WFCMWFIBLCEKIX-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM Cc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826291245 607391233 /nfs/dbraw/zinc/39/12/33/607391233.db2.gz WFCMWFIBLCEKIX-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nnn[n-]1 ZINC000826193577 607523747 /nfs/dbraw/zinc/52/37/47/607523747.db2.gz HVEBDPAJPXGKIK-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[n-]n1 ZINC000826193577 607523748 /nfs/dbraw/zinc/52/37/48/607523748.db2.gz HVEBDPAJPXGKIK-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM O=[N+]([O-])c1ccccc1CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000826500269 607562261 /nfs/dbraw/zinc/56/22/61/607562261.db2.gz RAMKFRGPJZELEC-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1ccccc1CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000826500269 607562263 /nfs/dbraw/zinc/56/22/63/607562263.db2.gz RAMKFRGPJZELEC-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM C[C@@H](Oc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(=O)[O-] ZINC000833540869 604657533 /nfs/dbraw/zinc/65/75/33/604657533.db2.gz LNSQGDIRHGBFHI-HIFRSBDPSA-N -1 3 386.408 2.528 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822212951 606137656 /nfs/dbraw/zinc/13/76/56/606137656.db2.gz NZZQNBSCFVBCJC-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000822427335 606311106 /nfs/dbraw/zinc/31/11/06/606311106.db2.gz JVSALZXCIRFKJT-UHFFFAOYSA-N -1 3 384.381 2.615 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823078230 606622909 /nfs/dbraw/zinc/62/29/09/606622909.db2.gz JLQQIQDMLUGBIZ-UHFFFAOYSA-N -1 3 375.348 2.504 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000823078230 606622910 /nfs/dbraw/zinc/62/29/10/606622910.db2.gz JLQQIQDMLUGBIZ-UHFFFAOYSA-N -1 3 375.348 2.504 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822271314 606642829 /nfs/dbraw/zinc/64/28/29/606642829.db2.gz WYQXXESAYVPBGC-UHFFFAOYSA-N -1 3 397.395 2.592 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000823630032 606728818 /nfs/dbraw/zinc/72/88/18/606728818.db2.gz QEZUNDVOAKYTEP-LLVKDONJSA-N -1 3 387.350 2.744 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000823630032 606728820 /nfs/dbraw/zinc/72/88/20/606728820.db2.gz QEZUNDVOAKYTEP-LLVKDONJSA-N -1 3 387.350 2.744 20 5 GFBDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2-c2nnn[n-]2)C1 ZINC000820733447 606808752 /nfs/dbraw/zinc/80/87/52/606808752.db2.gz FXOZRNAQOCGWAV-MRVPVSSYSA-N -1 3 385.409 2.609 20 5 GFBDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2-c2nn[n-]n2)C1 ZINC000820733447 606808754 /nfs/dbraw/zinc/80/87/54/606808754.db2.gz FXOZRNAQOCGWAV-MRVPVSSYSA-N -1 3 385.409 2.609 20 5 GFBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000823643815 606847445 /nfs/dbraw/zinc/84/74/45/606847445.db2.gz BXTFLQIIKCPORR-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000823643815 606847447 /nfs/dbraw/zinc/84/74/47/606847447.db2.gz BXTFLQIIKCPORR-UHFFFAOYSA-N -1 3 397.372 2.696 20 5 GFBDHM NC(=O)c1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822884886 606852134 /nfs/dbraw/zinc/85/21/34/606852134.db2.gz CVMFGRHIOZNOFR-UHFFFAOYSA-N -1 3 390.812 2.820 20 5 GFBDHM NC(=O)c1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822884886 606852135 /nfs/dbraw/zinc/85/21/35/606852135.db2.gz CVMFGRHIOZNOFR-UHFFFAOYSA-N -1 3 390.812 2.820 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823640013 606876958 /nfs/dbraw/zinc/87/69/58/606876958.db2.gz PGFIMERBXSGTAI-JTQLQIEISA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ncccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823640013 606876959 /nfs/dbraw/zinc/87/69/59/606876959.db2.gz PGFIMERBXSGTAI-JTQLQIEISA-N -1 3 386.803 2.514 20 5 GFBDHM Cc1cc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822184516 606946530 /nfs/dbraw/zinc/94/65/30/606946530.db2.gz WGJPUIDXNFRQSL-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000822184516 606946531 /nfs/dbraw/zinc/94/65/31/606946531.db2.gz WGJPUIDXNFRQSL-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1cccc(-c2nnn[n-]2)c1 ZINC000823665454 607012924 /nfs/dbraw/zinc/01/29/24/607012924.db2.gz KTFWCOBMIFMIQK-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1cccc(-c2nn[n-]n2)c1 ZINC000823665454 607012926 /nfs/dbraw/zinc/01/29/26/607012926.db2.gz KTFWCOBMIFMIQK-UHFFFAOYSA-N -1 3 398.404 2.865 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000820005887 607118944 /nfs/dbraw/zinc/11/89/44/607118944.db2.gz YTWZLGDRUYZQKN-UHFFFAOYSA-N -1 3 397.391 2.718 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000820005887 607118946 /nfs/dbraw/zinc/11/89/46/607118946.db2.gz YTWZLGDRUYZQKN-UHFFFAOYSA-N -1 3 397.391 2.718 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821845075 607235839 /nfs/dbraw/zinc/23/58/39/607235839.db2.gz ADLJWOIQHJUREA-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000819997084 607238118 /nfs/dbraw/zinc/23/81/18/607238118.db2.gz PXEYNTCMNMQKPR-UHFFFAOYSA-N -1 3 394.391 2.522 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000819997084 607238119 /nfs/dbraw/zinc/23/81/19/607238119.db2.gz PXEYNTCMNMQKPR-UHFFFAOYSA-N -1 3 394.391 2.522 20 5 GFBDHM CC(C)c1ccccc1OC[C@H](O)COc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000824352568 607876195 /nfs/dbraw/zinc/87/61/95/607876195.db2.gz IZLSUEXOQSUTIM-ZDUSSCGKSA-N -1 3 399.407 2.717 20 5 GFBDHM CC(C)c1ccccc1OC[C@H](O)COc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000824352568 607876196 /nfs/dbraw/zinc/87/61/96/607876196.db2.gz IZLSUEXOQSUTIM-ZDUSSCGKSA-N -1 3 399.407 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000826498850 608099013 /nfs/dbraw/zinc/09/90/13/608099013.db2.gz MCTMJUPCQRSHDP-LBPRGKRZSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000826498850 608099014 /nfs/dbraw/zinc/09/90/14/608099014.db2.gz MCTMJUPCQRSHDP-LBPRGKRZSA-N -1 3 383.387 2.995 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464867 608105090 /nfs/dbraw/zinc/10/50/90/608105090.db2.gz PSZPZGYOYSYSJR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464867 608105091 /nfs/dbraw/zinc/10/50/91/608105091.db2.gz PSZPZGYOYSYSJR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM COc1ccccc1OC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826220658 608124128 /nfs/dbraw/zinc/12/41/28/608124128.db2.gz VKNGBGYSMPHRNS-LBPRGKRZSA-N -1 3 384.396 2.911 20 5 GFBDHM COc1ccccc1OC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826220658 608124129 /nfs/dbraw/zinc/12/41/29/608124129.db2.gz VKNGBGYSMPHRNS-LBPRGKRZSA-N -1 3 384.396 2.911 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000826162022 608136449 /nfs/dbraw/zinc/13/64/49/608136449.db2.gz JUXJVGVGRURKJW-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000826162022 608136450 /nfs/dbraw/zinc/13/64/50/608136450.db2.gz JUXJVGVGRURKJW-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM O=C(CSC(F)(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826419774 608163423 /nfs/dbraw/zinc/16/34/23/608163423.db2.gz LMPWYSSDMDHQBG-UHFFFAOYSA-N -1 3 382.711 2.620 20 5 GFBDHM O=C(CSC(F)(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826419774 608163424 /nfs/dbraw/zinc/16/34/24/608163424.db2.gz LMPWYSSDMDHQBG-UHFFFAOYSA-N -1 3 382.711 2.620 20 5 GFBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826189841 608239035 /nfs/dbraw/zinc/23/90/35/608239035.db2.gz GXNGXCWDRCCNSA-APPDUMDISA-N -1 3 384.396 2.972 20 5 GFBDHM COc1ccc([C@H](OC)[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826189841 608239037 /nfs/dbraw/zinc/23/90/37/608239037.db2.gz GXNGXCWDRCCNSA-APPDUMDISA-N -1 3 384.396 2.972 20 5 GFBDHM CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999063 609314240 /nfs/dbraw/zinc/31/42/40/609314240.db2.gz JLEJCHKMKDHDHW-UHFFFAOYSA-N -1 3 394.370 2.871 20 5 GFBDHM CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccccc1-c1nnn[n-]1 ZINC000825998777 609314679 /nfs/dbraw/zinc/31/46/79/609314679.db2.gz CHIURZBMTBKDAE-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1ccccc1-c1nn[n-]n1 ZINC000825998777 609314680 /nfs/dbraw/zinc/31/46/80/609314680.db2.gz CHIURZBMTBKDAE-UHFFFAOYSA-N -1 3 376.380 2.732 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826465435 609352786 /nfs/dbraw/zinc/35/27/86/609352786.db2.gz NFOQPRNHCCVNPR-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826465435 609352789 /nfs/dbraw/zinc/35/27/89/609352789.db2.gz NFOQPRNHCCVNPR-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnc1N1CCCC[C@H]1C ZINC000826271566 609563789 /nfs/dbraw/zinc/56/37/89/609563789.db2.gz XGLMHEIHTARVJS-GFCCVEGCSA-N -1 3 395.427 2.996 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cnc1N1CCCC[C@H]1C ZINC000826271566 609563790 /nfs/dbraw/zinc/56/37/90/609563790.db2.gz XGLMHEIHTARVJS-GFCCVEGCSA-N -1 3 395.427 2.996 20 5 GFBDHM C[C@@H]1C[C@H](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884639 609596587 /nfs/dbraw/zinc/59/65/87/609596587.db2.gz OTRAOCQWJCMQAI-VXGBXAGGSA-N -1 3 383.412 2.940 20 5 GFBDHM C[C@@H]1C[C@H](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884639 609596589 /nfs/dbraw/zinc/59/65/89/609596589.db2.gz OTRAOCQWJCMQAI-VXGBXAGGSA-N -1 3 383.412 2.940 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000125528994 654796889 /nfs/dbraw/zinc/79/68/89/654796889.db2.gz PUTZXFXWEGDXMK-UHFFFAOYSA-N -1 3 392.220 2.654 20 5 GFBDHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]c21 ZINC000130027582 654879633 /nfs/dbraw/zinc/87/96/33/654879633.db2.gz UQOZMYCZNDXJJN-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000173068347 655162411 /nfs/dbraw/zinc/16/24/11/655162411.db2.gz DKAFREVYHJUTNI-JTQLQIEISA-N -1 3 375.244 2.992 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000725822968 655526967 /nfs/dbraw/zinc/52/69/67/655526967.db2.gz PEBJIOMRKSZKIW-NEPJUHHUSA-N -1 3 375.878 2.647 20 5 GFBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742331344 655716194 /nfs/dbraw/zinc/71/61/94/655716194.db2.gz YUYLCNXLKJLCNA-PSASIEDQSA-N -1 3 395.300 2.920 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751394476 655826271 /nfs/dbraw/zinc/82/62/71/655826271.db2.gz VRNNYHVOQPYFRK-PSLIRLAXSA-N -1 3 388.804 2.788 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762521183 656045685 /nfs/dbraw/zinc/04/56/85/656045685.db2.gz CMSOTNLEZKFZSL-CDMKHQONSA-N -1 3 394.927 2.906 20 5 GFBDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000766578367 656176585 /nfs/dbraw/zinc/17/65/85/656176585.db2.gz VHQRDZALYCMGKV-LURJTMIESA-N -1 3 391.165 2.977 20 5 GFBDHM COc1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000782470551 657147746 /nfs/dbraw/zinc/14/77/46/657147746.db2.gz DHMXYGDOBGFXDR-UHFFFAOYSA-N -1 3 392.361 2.914 20 5 GFBDHM COC(=O)NCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000782954044 657196801 /nfs/dbraw/zinc/19/68/01/657196801.db2.gz WMAXJXSFYWVPNI-UHFFFAOYSA-N -1 3 385.423 2.659 20 5 GFBDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791577 658851781 /nfs/dbraw/zinc/85/17/81/658851781.db2.gz KSVKRAZWGFHOAA-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC[C@H]1C ZINC000809808385 659940139 /nfs/dbraw/zinc/94/01/39/659940139.db2.gz QZNUFCQXMXBGBM-MNOVXSKESA-N -1 3 393.868 2.929 20 5 GFBDHM C[C@H]1CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822345 659943276 /nfs/dbraw/zinc/94/32/76/659943276.db2.gz IEYZQTNOICNQDN-VIFPVBQESA-N -1 3 382.269 2.522 20 5 GFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018419 660102019 /nfs/dbraw/zinc/10/20/19/660102019.db2.gz PMLFZUCJDJCMBI-UHFFFAOYSA-N -1 3 390.824 2.651 20 5 GFBDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045051 660106727 /nfs/dbraw/zinc/10/67/27/660106727.db2.gz MWALSBSQGDYHMP-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845975855 661515278 /nfs/dbraw/zinc/51/52/78/661515278.db2.gz CEKYVVQIJYAIOG-ZBEGNZNMSA-N -1 3 384.841 2.823 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1COC2(CCC2)C1 ZINC000849448354 661727363 /nfs/dbraw/zinc/72/73/63/661727363.db2.gz AKDLSDKURPUKIY-SNVBAGLBSA-N -1 3 380.344 2.604 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1(F)F ZINC000849461496 661730344 /nfs/dbraw/zinc/73/03/44/661730344.db2.gz ZBBWHZUSTRGAFR-JTQLQIEISA-N -1 3 385.186 2.681 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC000921716814 664563745 /nfs/dbraw/zinc/56/37/45/664563745.db2.gz OAVJDOUQDUMXSO-DTWKUNHWSA-N -1 3 395.300 2.920 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000121577268 551237110 /nfs/dbraw/zinc/23/71/10/551237110.db2.gz MFVPZSAXFGKKJG-UHFFFAOYSA-N -1 3 397.356 2.557 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000122409754 551297731 /nfs/dbraw/zinc/29/77/31/551297731.db2.gz OINSVFQAJBARMR-UHFFFAOYSA-N -1 3 385.467 2.890 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1ncc(Cl)cc1Cl ZINC000124797806 551318097 /nfs/dbraw/zinc/31/80/97/551318097.db2.gz IZVOTSYXLBUQSI-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000162876730 551613601 /nfs/dbraw/zinc/61/36/01/551613601.db2.gz NKDQVQFKDBOJSY-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[n-]1 ZINC000183282776 552305093 /nfs/dbraw/zinc/30/50/93/552305093.db2.gz JZDQIDUXFLETEQ-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[n-]n1 ZINC000183282776 552305096 /nfs/dbraw/zinc/30/50/96/552305096.db2.gz JZDQIDUXFLETEQ-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000195342929 553045727 /nfs/dbraw/zinc/04/57/27/553045727.db2.gz GBJLXJXKVZYVMS-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000546093243 564444432 /nfs/dbraw/zinc/44/44/32/564444432.db2.gz ZQANNASKLZJEAB-QMMMGPOBSA-N -1 3 375.200 2.990 20 5 GFBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000420728828 563280556 /nfs/dbraw/zinc/28/05/56/563280556.db2.gz PYCBVQZODNYIRL-WDEREUQCSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000420738006 563281229 /nfs/dbraw/zinc/28/12/29/563281229.db2.gz ZTTDVVKNRLTHQY-GXSJLCMTSA-N -1 3 382.360 2.850 20 5 GFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000298069374 563343482 /nfs/dbraw/zinc/34/34/82/563343482.db2.gz FIBKMFGOXCGNTF-UHFFFAOYSA-N -1 3 381.435 2.693 20 5 GFBDHM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000284290673 563469371 /nfs/dbraw/zinc/46/93/71/563469371.db2.gz SRZJWGIKSNPSKM-UHFFFAOYSA-N -1 3 387.215 2.916 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])c1 ZINC000433478294 563613548 /nfs/dbraw/zinc/61/35/48/563613548.db2.gz BWFSWQYPZUGPQL-CYBMUJFWSA-N -1 3 386.495 2.626 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000435599957 563654446 /nfs/dbraw/zinc/65/44/46/563654446.db2.gz XBHZIXKKKFHGPA-UHFFFAOYSA-N -1 3 382.463 2.846 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)c(Br)c1 ZINC000446958695 563870920 /nfs/dbraw/zinc/87/09/20/563870920.db2.gz RJUQHVFKALXCIC-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM CCC[C@@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000510519517 564336636 /nfs/dbraw/zinc/33/66/36/564336636.db2.gz TZROFMNHOLDTHC-CYBMUJFWSA-N -1 3 393.259 2.595 20 5 GFBDHM CCC(=O)c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000480095074 564460315 /nfs/dbraw/zinc/46/03/15/564460315.db2.gz OMBORSONYPMRJK-UHFFFAOYSA-N -1 3 383.451 2.639 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000480727699 564485208 /nfs/dbraw/zinc/48/52/08/564485208.db2.gz DRZIOYAAVOVOBR-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000547347613 564486129 /nfs/dbraw/zinc/48/61/29/564486129.db2.gz HZKDEKSUNULNCQ-UHFFFAOYSA-N -1 3 390.483 2.898 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1[N+](=O)[O-] ZINC000481859829 564526464 /nfs/dbraw/zinc/52/64/64/564526464.db2.gz ACZGENMEYXSLCU-UHFFFAOYSA-N -1 3 384.797 2.993 20 5 GFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000486255325 564646236 /nfs/dbraw/zinc/64/62/36/564646236.db2.gz WKCIJKWBSJUFFB-UHFFFAOYSA-N -1 3 385.829 2.647 20 5 GFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000486596665 564658676 /nfs/dbraw/zinc/65/86/76/564658676.db2.gz BXKMWVJKSKWXGB-DTWKUNHWSA-N -1 3 387.849 2.919 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000487109628 564676655 /nfs/dbraw/zinc/67/66/55/564676655.db2.gz AYIDMWDPGOAWOW-SNVBAGLBSA-N -1 3 384.435 2.791 20 5 GFBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1F ZINC000552601267 564696656 /nfs/dbraw/zinc/69/66/56/564696656.db2.gz LXPVHBKNSAJEDQ-UHFFFAOYSA-N -1 3 387.776 2.548 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC(C)(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493473954 564807616 /nfs/dbraw/zinc/80/76/16/564807616.db2.gz RIKQNQWQTYIEFQ-UHFFFAOYSA-N -1 3 395.275 2.999 20 5 GFBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000499717141 564934021 /nfs/dbraw/zinc/93/40/21/564934021.db2.gz DKBRBWTZEBMHFV-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000500141661 564946853 /nfs/dbraw/zinc/94/68/53/564946853.db2.gz HNMQXBWSXLKNID-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467055799 564954316 /nfs/dbraw/zinc/95/43/16/564954316.db2.gz DTOSIRSHWVGVNC-NSHDSACASA-N -1 3 392.499 2.999 20 5 GFBDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061741 564954616 /nfs/dbraw/zinc/95/46/16/564954616.db2.gz BQVNUGOTSBDKTI-GDBMZVCRSA-N -1 3 382.463 2.982 20 5 GFBDHM CCC1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)(C(=O)OC)CC1 ZINC000467050650 564954758 /nfs/dbraw/zinc/95/47/58/564954758.db2.gz KJYFPWQMGWAQQD-UHFFFAOYSA-N -1 3 390.483 2.755 20 5 GFBDHM COc1cccc(OCCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467075511 564955250 /nfs/dbraw/zinc/95/52/50/564955250.db2.gz QGKLIOFNKLHXID-UHFFFAOYSA-N -1 3 386.451 2.721 20 5 GFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000467263562 564960211 /nfs/dbraw/zinc/96/02/11/564960211.db2.gz YFOAGRVHUNZMEM-UHFFFAOYSA-N -1 3 386.451 2.503 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000467412739 564962901 /nfs/dbraw/zinc/96/29/01/564962901.db2.gz UDHNIKNKQMCVAN-UHFFFAOYSA-N -1 3 378.435 2.629 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Br)c1 ZINC000561564300 565002662 /nfs/dbraw/zinc/00/26/62/565002662.db2.gz LXOFKOWCTUGIKN-UHFFFAOYSA-N -1 3 381.223 2.918 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000585739817 565109672 /nfs/dbraw/zinc/10/96/72/565109672.db2.gz MVFRIQWPHADQJZ-UHFFFAOYSA-N -1 3 380.813 2.646 20 5 GFBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnn1C ZINC000615943983 565181259 /nfs/dbraw/zinc/18/12/59/565181259.db2.gz FIALXRSROJJCST-LBPRGKRZSA-N -1 3 386.861 2.700 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC=CC1 ZINC000592099891 565256187 /nfs/dbraw/zinc/25/61/87/565256187.db2.gz WCBKLGJKPZYSDX-HNNXBMFYSA-N -1 3 388.873 2.880 20 5 GFBDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599410255 565676959 /nfs/dbraw/zinc/67/69/59/565676959.db2.gz GJPNEELWACSLHK-NSHDSACASA-N -1 3 384.376 2.689 20 5 GFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085731 565712685 /nfs/dbraw/zinc/71/26/85/565712685.db2.gz OOUKESLSAAENDT-NSHDSACASA-N -1 3 381.186 2.606 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])s1 ZINC000601374536 565779123 /nfs/dbraw/zinc/77/91/23/565779123.db2.gz VITZBPKZZOSPLW-LLVKDONJSA-N -1 3 392.524 2.688 20 5 GFBDHM C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196300 566032101 /nfs/dbraw/zinc/03/21/01/566032101.db2.gz LDCJXYYJGDUFSW-LBPRGKRZSA-N -1 3 375.878 2.791 20 5 GFBDHM Cc1c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cccc1-c1nnn[n-]1 ZINC000822121373 607256795 /nfs/dbraw/zinc/25/67/95/607256795.db2.gz FTZZPNIXOREMFX-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cccc1-c1nn[n-]n1 ZINC000822121373 607256796 /nfs/dbraw/zinc/25/67/96/607256796.db2.gz FTZZPNIXOREMFX-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735915860 599170645 /nfs/dbraw/zinc/17/06/45/599170645.db2.gz TZCFBRACHUQVML-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735915860 599170646 /nfs/dbraw/zinc/17/06/46/599170646.db2.gz TZCFBRACHUQVML-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)(C)c1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735651392 599170880 /nfs/dbraw/zinc/17/08/80/599170880.db2.gz TYTSABKDAVOHCH-OAHLLOKOSA-N -1 3 383.412 2.613 20 5 GFBDHM CC(C)(C)c1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735651392 599170883 /nfs/dbraw/zinc/17/08/83/599170883.db2.gz TYTSABKDAVOHCH-OAHLLOKOSA-N -1 3 383.412 2.613 20 5 GFBDHM CC(C)Oc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735912804 599205622 /nfs/dbraw/zinc/20/56/22/599205622.db2.gz IBFPFOMTINKQAQ-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735912804 599205624 /nfs/dbraw/zinc/20/56/24/599205624.db2.gz IBFPFOMTINKQAQ-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820004943 607355403 /nfs/dbraw/zinc/35/54/03/607355403.db2.gz FWBZQEKTGXBODR-UHFFFAOYSA-N -1 3 387.327 2.677 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820004943 607355404 /nfs/dbraw/zinc/35/54/04/607355404.db2.gz FWBZQEKTGXBODR-UHFFFAOYSA-N -1 3 387.327 2.677 20 5 GFBDHM CC1CCC(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000736243864 598501990 /nfs/dbraw/zinc/50/19/90/598501990.db2.gz ANDZPLAIQIODPH-UHFFFAOYSA-N -1 3 387.444 2.734 20 5 GFBDHM CC1CCC(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000736243864 598501991 /nfs/dbraw/zinc/50/19/91/598501991.db2.gz ANDZPLAIQIODPH-UHFFFAOYSA-N -1 3 387.444 2.734 20 5 GFBDHM COc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1[N+](=O)[O-] ZINC000737100371 598722347 /nfs/dbraw/zinc/72/23/47/598722347.db2.gz WJHWPTWTILSNRN-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM COc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1[N+](=O)[O-] ZINC000737100371 598722348 /nfs/dbraw/zinc/72/23/48/598722348.db2.gz WJHWPTWTILSNRN-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM Cn1ccnc1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737615334 598743380 /nfs/dbraw/zinc/74/33/80/598743380.db2.gz GXMDPUJSFLPSLT-UHFFFAOYSA-N -1 3 391.347 2.532 20 5 GFBDHM Cn1ccnc1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737615334 598743381 /nfs/dbraw/zinc/74/33/81/598743381.db2.gz GXMDPUJSFLPSLT-UHFFFAOYSA-N -1 3 391.347 2.532 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735912958 598787249 /nfs/dbraw/zinc/78/72/49/598787249.db2.gz KUVCLGXPBNHFNN-UHFFFAOYSA-N -1 3 383.364 2.919 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735912958 598787251 /nfs/dbraw/zinc/78/72/51/598787251.db2.gz KUVCLGXPBNHFNN-UHFFFAOYSA-N -1 3 383.364 2.919 20 5 GFBDHM Cc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)o2)cc1 ZINC000822215014 599397649 /nfs/dbraw/zinc/39/76/49/599397649.db2.gz ISDOLKYLPLRBRK-UHFFFAOYSA-N -1 3 382.365 2.680 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)CCO1 ZINC000736294354 599472006 /nfs/dbraw/zinc/47/20/06/599472006.db2.gz RGDDQULNYGRACD-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@H]1CN(c2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)CCO1 ZINC000736294354 599472008 /nfs/dbraw/zinc/47/20/08/599472008.db2.gz RGDDQULNYGRACD-LBPRGKRZSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820385886 599523975 /nfs/dbraw/zinc/52/39/75/599523975.db2.gz VLDKMLGLQGNRTR-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820385886 599523976 /nfs/dbraw/zinc/52/39/76/599523976.db2.gz VLDKMLGLQGNRTR-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM Cc1noc(C)c1C[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523754 599567509 /nfs/dbraw/zinc/56/75/09/599567509.db2.gz UHFNNJBFWHHZLK-VIFPVBQESA-N -1 3 394.395 2.971 20 5 GFBDHM Cc1noc(C)c1C[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523754 599567511 /nfs/dbraw/zinc/56/75/11/599567511.db2.gz UHFNNJBFWHHZLK-VIFPVBQESA-N -1 3 394.395 2.971 20 5 GFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822472010 599633246 /nfs/dbraw/zinc/63/32/46/599633246.db2.gz NJKJLBQBZIXVNW-UHFFFAOYSA-N -1 3 393.285 2.749 20 5 GFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822472010 599633247 /nfs/dbraw/zinc/63/32/47/599633247.db2.gz NJKJLBQBZIXVNW-UHFFFAOYSA-N -1 3 393.285 2.749 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820160943 607447507 /nfs/dbraw/zinc/44/75/07/607447507.db2.gz QPZIWXSHTATVCE-UHFFFAOYSA-N -1 3 397.395 2.613 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820160943 607447508 /nfs/dbraw/zinc/44/75/08/607447508.db2.gz QPZIWXSHTATVCE-UHFFFAOYSA-N -1 3 397.395 2.613 20 5 GFBDHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822177154 607449473 /nfs/dbraw/zinc/44/94/73/607449473.db2.gz VLCUNUCYGXXLNP-UHFFFAOYSA-N -1 3 397.395 2.705 20 5 GFBDHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000822177154 607449475 /nfs/dbraw/zinc/44/94/75/607449475.db2.gz VLCUNUCYGXXLNP-UHFFFAOYSA-N -1 3 397.395 2.705 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000826249697 607461919 /nfs/dbraw/zinc/46/19/19/607461919.db2.gz OZXPGGKLDFGXPB-UHFFFAOYSA-N -1 3 390.363 2.726 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000826249697 607461920 /nfs/dbraw/zinc/46/19/20/607461920.db2.gz OZXPGGKLDFGXPB-UHFFFAOYSA-N -1 3 390.363 2.726 20 5 GFBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826045640 601653052 /nfs/dbraw/zinc/65/30/52/601653052.db2.gz VVYMAVCPIYOBLC-ORAYPTAESA-N -1 3 383.404 2.536 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000832957248 601740889 /nfs/dbraw/zinc/74/08/89/601740889.db2.gz GXXGUQFTQDRPBC-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM Cc1cccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826304157 607672526 /nfs/dbraw/zinc/67/25/26/607672526.db2.gz YYLDVKPUDMKZNR-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@H]21 ZINC000834186492 605332758 /nfs/dbraw/zinc/33/27/58/605332758.db2.gz WLNQJDFBTYYAQH-BMGDILEWSA-N -1 3 385.424 2.784 20 5 GFBDHM Cc1ccc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822242637 606136796 /nfs/dbraw/zinc/13/67/96/606136796.db2.gz RYWQUTUKNKPFTD-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM Cc1ccc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822242637 606136797 /nfs/dbraw/zinc/13/67/97/606136797.db2.gz RYWQUTUKNKPFTD-UHFFFAOYSA-N -1 3 383.387 2.549 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000821123409 606192897 /nfs/dbraw/zinc/19/28/97/606192897.db2.gz QVQPRIXLUFXNMC-UHFFFAOYSA-N -1 3 397.395 2.614 20 5 GFBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000823640111 606481755 /nfs/dbraw/zinc/48/17/55/606481755.db2.gz SWGOYVAEVOCAOL-UHFFFAOYSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000823640111 606481757 /nfs/dbraw/zinc/48/17/57/606481757.db2.gz SWGOYVAEVOCAOL-UHFFFAOYSA-N -1 3 383.387 2.995 20 5 GFBDHM Cc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)c1C ZINC000822309144 606644783 /nfs/dbraw/zinc/64/47/83/606644783.db2.gz NIQRPSRKNKGOIG-UHFFFAOYSA-N -1 3 379.424 2.718 20 5 GFBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823417888 606674939 /nfs/dbraw/zinc/67/49/39/606674939.db2.gz LEMCIEVZAHTROV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823417888 606674940 /nfs/dbraw/zinc/67/49/40/606674940.db2.gz LEMCIEVZAHTROV-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ncc(Cl)cc1Cl ZINC000823630535 606792562 /nfs/dbraw/zinc/79/25/62/606792562.db2.gz ZPYYWNUQSUWKJM-UHFFFAOYSA-N -1 3 396.194 2.968 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ncc(Cl)cc1Cl ZINC000823630535 606792563 /nfs/dbraw/zinc/79/25/63/606792563.db2.gz ZPYYWNUQSUWKJM-UHFFFAOYSA-N -1 3 396.194 2.968 20 5 GFBDHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387166 606810324 /nfs/dbraw/zinc/81/03/24/606810324.db2.gz FIBXBSQPDAWIMW-UHFFFAOYSA-N -1 3 385.409 2.753 20 5 GFBDHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387166 606810325 /nfs/dbraw/zinc/81/03/25/606810325.db2.gz FIBXBSQPDAWIMW-UHFFFAOYSA-N -1 3 385.409 2.753 20 5 GFBDHM CCOC(=O)c1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000821337860 606940071 /nfs/dbraw/zinc/94/00/71/606940071.db2.gz PJBJVZJDBUZRSV-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM CCOC(=O)c1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000821337860 606940072 /nfs/dbraw/zinc/94/00/72/606940072.db2.gz PJBJVZJDBUZRSV-UHFFFAOYSA-N -1 3 386.343 2.703 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1nc(-c2ccncc2)cs1 ZINC000823629618 607110883 /nfs/dbraw/zinc/11/08/83/607110883.db2.gz BZATZFULFDVSJA-UHFFFAOYSA-N -1 3 394.420 2.948 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nc(-c2ccncc2)cs1 ZINC000823629618 607110885 /nfs/dbraw/zinc/11/08/85/607110885.db2.gz BZATZFULFDVSJA-UHFFFAOYSA-N -1 3 394.420 2.948 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822929421 607193468 /nfs/dbraw/zinc/19/34/68/607193468.db2.gz UEAGVLRZLZWJBH-FLIBITNWSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000822929421 607193469 /nfs/dbraw/zinc/19/34/69/607193469.db2.gz UEAGVLRZLZWJBH-FLIBITNWSA-N -1 3 390.403 2.979 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826499795 607876623 /nfs/dbraw/zinc/87/66/23/607876623.db2.gz XVAFFMZMOJXXCN-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000826499795 607876624 /nfs/dbraw/zinc/87/66/24/607876624.db2.gz XVAFFMZMOJXXCN-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826440086 608008204 /nfs/dbraw/zinc/00/82/04/608008204.db2.gz XUWPAYBGKXKFOH-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826440086 608008205 /nfs/dbraw/zinc/00/82/05/608008205.db2.gz XUWPAYBGKXKFOH-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824936326 608164613 /nfs/dbraw/zinc/16/46/13/608164613.db2.gz GESMMISCKYISSJ-ZANVPECISA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824936326 608164616 /nfs/dbraw/zinc/16/46/16/608164616.db2.gz GESMMISCKYISSJ-ZANVPECISA-N -1 3 394.819 2.962 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826428297 608165417 /nfs/dbraw/zinc/16/54/17/608165417.db2.gz WROVQSGNIBNSQQ-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826428297 608165419 /nfs/dbraw/zinc/16/54/19/608165419.db2.gz WROVQSGNIBNSQQ-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826174401 608267037 /nfs/dbraw/zinc/26/70/37/608267037.db2.gz VIONHVZWFGNYDC-UHFFFAOYSA-N -1 3 392.331 2.551 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826174401 608267039 /nfs/dbraw/zinc/26/70/39/608267039.db2.gz VIONHVZWFGNYDC-UHFFFAOYSA-N -1 3 392.331 2.551 20 5 GFBDHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478328 608432996 /nfs/dbraw/zinc/43/29/96/608432996.db2.gz GPUGXFLZJFTWOP-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478328 608432997 /nfs/dbraw/zinc/43/29/97/608432997.db2.gz GPUGXFLZJFTWOP-NSHDSACASA-N -1 3 384.421 2.744 20 5 GFBDHM CO[C@@H]1[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144329 608587601 /nfs/dbraw/zinc/58/76/01/608587601.db2.gz GUOBMITTXZSVML-OZUAJXCXSA-N -1 3 383.412 2.795 20 5 GFBDHM CO[C@@H]1[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144329 608587603 /nfs/dbraw/zinc/58/76/03/608587603.db2.gz GUOBMITTXZSVML-OZUAJXCXSA-N -1 3 383.412 2.795 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000826186502 608831936 /nfs/dbraw/zinc/83/19/36/608831936.db2.gz WAAYBJSGTQEHFZ-UHFFFAOYSA-N -1 3 382.380 2.961 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000826186502 608831937 /nfs/dbraw/zinc/83/19/37/608831937.db2.gz WAAYBJSGTQEHFZ-UHFFFAOYSA-N -1 3 382.380 2.961 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C3CCOCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499258 609169614 /nfs/dbraw/zinc/16/96/14/609169614.db2.gz BJQFKEVABFSQNJ-KRWDZBQOSA-N -1 3 395.423 2.719 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C3CCOCC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499258 609169616 /nfs/dbraw/zinc/16/96/16/609169616.db2.gz BJQFKEVABFSQNJ-KRWDZBQOSA-N -1 3 395.423 2.719 20 5 GFBDHM CC(C)Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000824280183 609395950 /nfs/dbraw/zinc/39/59/50/609395950.db2.gz FVWNWZLAUMLUSY-UHFFFAOYSA-N -1 3 390.791 2.533 20 5 GFBDHM CC(C)Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000824280183 609395953 /nfs/dbraw/zinc/39/59/53/609395953.db2.gz FVWNWZLAUMLUSY-UHFFFAOYSA-N -1 3 390.791 2.533 20 5 GFBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826419701 609616291 /nfs/dbraw/zinc/61/62/91/609616291.db2.gz IRZIGIFMOXQOPX-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826419701 609616292 /nfs/dbraw/zinc/61/62/92/609616292.db2.gz IRZIGIFMOXQOPX-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC(F)F ZINC000827881507 660521490 /nfs/dbraw/zinc/52/14/90/660521490.db2.gz FOVPIUDUIADDFS-SSDOTTSWSA-N -1 3 387.202 2.927 20 5 GFBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854931 660683412 /nfs/dbraw/zinc/68/34/12/660683412.db2.gz JJUFOSGDRCYKPP-LDYMZIIASA-N -1 3 394.280 2.663 20 5 GFBDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1cccs1 ZINC000030331734 654585245 /nfs/dbraw/zinc/58/52/45/654585245.db2.gz WBAUPJGRAZARKE-LBPRGKRZSA-N -1 3 384.435 2.547 20 5 GFBDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000032468887 654603824 /nfs/dbraw/zinc/60/38/24/654603824.db2.gz BYHYNTYPPVKATK-UHFFFAOYSA-N -1 3 383.813 2.685 20 5 GFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000067123924 654930644 /nfs/dbraw/zinc/93/06/44/654930644.db2.gz QXISGKBLZOJQEC-UHFFFAOYSA-N -1 3 383.813 2.710 20 5 GFBDHM CC(C)c1n[nH]c(C(=O)NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000269566760 655014039 /nfs/dbraw/zinc/01/40/39/655014039.db2.gz GYXAZSHXHSVCSC-UHFFFAOYSA-N -1 3 383.202 2.839 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1 ZINC000157897659 655102981 /nfs/dbraw/zinc/10/29/81/655102981.db2.gz PUFKGYKULOMAJO-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000158091104 655104812 /nfs/dbraw/zinc/10/48/12/655104812.db2.gz PIKWSGIPSXLMNZ-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2ccsc2)c1 ZINC000173017100 655161770 /nfs/dbraw/zinc/16/17/70/655161770.db2.gz FWDXZZQJNYWSIH-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM Cc1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000193771311 655412260 /nfs/dbraw/zinc/41/22/60/655412260.db2.gz GYUBVTZMVVASCK-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2OC1 ZINC000510445115 655417745 /nfs/dbraw/zinc/41/77/45/655417745.db2.gz YTIPRYQZCXFUPY-CYBMUJFWSA-N -1 3 382.825 2.920 20 5 GFBDHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950155 661216460 /nfs/dbraw/zinc/21/64/60/661216460.db2.gz FOJFDCXHAHWGRZ-SECBINFHSA-N -1 3 390.824 2.507 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1Br ZINC000763376424 656081343 /nfs/dbraw/zinc/08/13/43/656081343.db2.gz WXRKWWKYMJDBDR-SSDOTTSWSA-N -1 3 385.186 2.823 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000798225681 659084714 /nfs/dbraw/zinc/08/47/14/659084714.db2.gz GXDDAMBRIXLSKP-WDEREUQCSA-N -1 3 393.868 2.786 20 5 GFBDHM CCCCN1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000798226667 659086024 /nfs/dbraw/zinc/08/60/24/659086024.db2.gz RSZCVVQTRYPMBA-UHFFFAOYSA-N -1 3 393.868 2.930 20 5 GFBDHM CC(C)SCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805105364 659740186 /nfs/dbraw/zinc/74/01/86/659740186.db2.gz STGNCQPXHBBOOV-UHFFFAOYSA-N -1 3 383.289 2.777 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000849426662 661722646 /nfs/dbraw/zinc/72/26/46/661722646.db2.gz VNGMWIXRMKWIHY-JTQLQIEISA-N -1 3 388.389 2.825 20 5 GFBDHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000851821757 661835015 /nfs/dbraw/zinc/83/50/15/661835015.db2.gz ZGEFZJSQNSYZSG-SECBINFHSA-N -1 3 382.269 2.664 20 5 GFBDHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000030438289 551127685 /nfs/dbraw/zinc/12/76/85/551127685.db2.gz RGBBNRIUTNJQDW-UHFFFAOYSA-N -1 3 386.813 2.614 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c(F)c1 ZINC000056007969 551175566 /nfs/dbraw/zinc/17/55/66/551175566.db2.gz PZOFNCKHMJHYNM-UHFFFAOYSA-N -1 3 376.312 2.814 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000124470850 551315274 /nfs/dbraw/zinc/31/52/74/551315274.db2.gz OHGXYFHYHNGGEL-UHFFFAOYSA-N -1 3 387.386 2.919 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)cs1 ZINC000150820447 551402102 /nfs/dbraw/zinc/40/21/02/551402102.db2.gz WLZQGVOLQRVJGD-HNNXBMFYSA-N -1 3 385.467 2.972 20 5 GFBDHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000162958613 551614867 /nfs/dbraw/zinc/61/48/67/551614867.db2.gz WHQPVMXSOZZGLD-IUCAKERBSA-N -1 3 393.259 2.592 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC000163471775 551619991 /nfs/dbraw/zinc/61/99/91/551619991.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Br)c1 ZINC000331348553 563546325 /nfs/dbraw/zinc/54/63/25/563546325.db2.gz TZMRCMKPZMLRHO-SECBINFHSA-N -1 3 381.273 2.531 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085113 563736560 /nfs/dbraw/zinc/73/65/60/563736560.db2.gz ZIGZBAQYCZGUOA-NWDGAFQWSA-N -1 3 375.878 2.647 20 5 GFBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000364954573 563769760 /nfs/dbraw/zinc/76/97/60/563769760.db2.gz UCCHGHHPCIEQER-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000365448195 563783910 /nfs/dbraw/zinc/78/39/10/563783910.db2.gz BNPMHHGMZKAAIN-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000365448195 563783914 /nfs/dbraw/zinc/78/39/14/563783914.db2.gz BNPMHHGMZKAAIN-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416440122 563829418 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3 382.360 2.707 20 5 GFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000736628592 598838868 /nfs/dbraw/zinc/83/88/68/598838868.db2.gz QUQIMALAEXKAKS-UHFFFAOYSA-N -1 3 394.347 2.874 20 5 GFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000736628592 598838869 /nfs/dbraw/zinc/83/88/69/598838869.db2.gz QUQIMALAEXKAKS-UHFFFAOYSA-N -1 3 394.347 2.874 20 5 GFBDHM CC(C)(C)c1cccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735652343 598869441 /nfs/dbraw/zinc/86/94/41/598869441.db2.gz GWLXAPPTPTUTPM-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM CC(C)(C)c1cccc(OCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735652343 598869443 /nfs/dbraw/zinc/86/94/43/598869443.db2.gz GWLXAPPTPTUTPM-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM O=[N+]([O-])c1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000738358243 599047289 /nfs/dbraw/zinc/04/72/89/599047289.db2.gz CKXWHFBXNXBZSG-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM O=[N+]([O-])c1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000738358243 599047291 /nfs/dbraw/zinc/04/72/91/599047291.db2.gz CKXWHFBXNXBZSG-UHFFFAOYSA-N -1 3 379.302 2.843 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645520 599056333 /nfs/dbraw/zinc/05/63/33/599056333.db2.gz STLPFXWMIVOOTO-UHFFFAOYSA-N -1 3 395.423 2.863 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCOC4(CCCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645520 599056336 /nfs/dbraw/zinc/05/63/36/599056336.db2.gz STLPFXWMIVOOTO-UHFFFAOYSA-N -1 3 395.423 2.863 20 5 GFBDHM COc1ccc(C=C2C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1-c1nnn[n-]1 ZINC000737083424 599156079 /nfs/dbraw/zinc/15/60/79/599156079.db2.gz OCQPPDJOYYGMMS-WMZJFQQLSA-N -1 3 398.766 2.930 20 5 GFBDHM COc1ccc(C=C2C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1-c1nn[n-]n1 ZINC000737083424 599156082 /nfs/dbraw/zinc/15/60/82/599156082.db2.gz OCQPPDJOYYGMMS-WMZJFQQLSA-N -1 3 398.766 2.930 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1 ZINC000738368948 598244426 /nfs/dbraw/zinc/24/44/26/598244426.db2.gz GFNHZSWZTLRADL-UHFFFAOYSA-N -1 3 376.380 2.615 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1 ZINC000738368948 598244427 /nfs/dbraw/zinc/24/44/27/598244427.db2.gz GFNHZSWZTLRADL-UHFFFAOYSA-N -1 3 376.380 2.615 20 5 GFBDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736170031 598272363 /nfs/dbraw/zinc/27/23/63/598272363.db2.gz QRPSGNFRKAXOJM-NEPJUHHUSA-N -1 3 383.364 2.847 20 5 GFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738098738 598322948 /nfs/dbraw/zinc/32/29/48/598322948.db2.gz AZINWNYDDCPEIQ-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738098738 598322950 /nfs/dbraw/zinc/32/29/50/598322950.db2.gz AZINWNYDDCPEIQ-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000738144182 598547610 /nfs/dbraw/zinc/54/76/10/598547610.db2.gz ARVBQGKUUZHUMH-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000738144182 598547612 /nfs/dbraw/zinc/54/76/12/598547612.db2.gz ARVBQGKUUZHUMH-UHFFFAOYSA-N -1 3 376.279 2.629 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738165370 598592921 /nfs/dbraw/zinc/59/29/21/598592921.db2.gz CLGYLJDNUQEDDI-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738165370 598592922 /nfs/dbraw/zinc/59/29/22/598592922.db2.gz CLGYLJDNUQEDDI-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738235578 598702210 /nfs/dbraw/zinc/70/22/10/598702210.db2.gz NUZNWSJBJORUHC-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738235578 598702211 /nfs/dbraw/zinc/70/22/11/598702211.db2.gz NUZNWSJBJORUHC-UHFFFAOYSA-N -1 3 398.354 2.845 20 5 GFBDHM COC(=O)CCCOc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736913503 598772835 /nfs/dbraw/zinc/77/28/35/598772835.db2.gz QYXIYVRWVMAXTC-UHFFFAOYSA-N -1 3 398.379 2.851 20 5 GFBDHM COC(=O)CCCOc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736913503 598772837 /nfs/dbraw/zinc/77/28/37/598772837.db2.gz QYXIYVRWVMAXTC-UHFFFAOYSA-N -1 3 398.379 2.851 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735874852 598782888 /nfs/dbraw/zinc/78/28/88/598782888.db2.gz UZCMKJBFXIJNDB-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735874852 598782889 /nfs/dbraw/zinc/78/28/89/598782889.db2.gz UZCMKJBFXIJNDB-UHFFFAOYSA-N -1 3 395.423 2.895 20 5 GFBDHM CCOc1cc(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000736625701 599442623 /nfs/dbraw/zinc/44/26/23/599442623.db2.gz NZTFVIKDHMOPID-UHFFFAOYSA-N -1 3 399.411 2.622 20 5 GFBDHM CCOc1cc(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000736625701 599442626 /nfs/dbraw/zinc/44/26/26/599442626.db2.gz NZTFVIKDHMOPID-UHFFFAOYSA-N -1 3 399.411 2.622 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)CCO1 ZINC000736294870 599472215 /nfs/dbraw/zinc/47/22/15/599472215.db2.gz SEBNHEJNCVQUQN-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CCO1 ZINC000736294870 599472217 /nfs/dbraw/zinc/47/22/17/599472217.db2.gz SEBNHEJNCVQUQN-GFCCVEGCSA-N -1 3 381.396 2.744 20 5 GFBDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1cccc([N+](=O)[O-])c1 ZINC000822204031 599501067 /nfs/dbraw/zinc/50/10/67/599501067.db2.gz ASVDLDKECMBNRF-UHFFFAOYSA-N -1 3 379.355 2.805 20 5 GFBDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1cccc([N+](=O)[O-])c1 ZINC000822204031 599501070 /nfs/dbraw/zinc/50/10/70/599501070.db2.gz ASVDLDKECMBNRF-UHFFFAOYSA-N -1 3 379.355 2.805 20 5 GFBDHM CCc1nc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504683 599518301 /nfs/dbraw/zinc/51/83/01/599518301.db2.gz IQKIPNHVIALPFV-UHFFFAOYSA-N -1 3 396.436 2.997 20 5 GFBDHM CCc1nc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821504683 599518304 /nfs/dbraw/zinc/51/83/04/599518304.db2.gz IQKIPNHVIALPFV-UHFFFAOYSA-N -1 3 396.436 2.997 20 5 GFBDHM CO[C@@]1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678616 599688476 /nfs/dbraw/zinc/68/84/76/599688476.db2.gz QCKJZRMJLBKTKB-KDOFPFPSSA-N -1 3 383.412 2.939 20 5 GFBDHM CO[C@@]1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678616 599688477 /nfs/dbraw/zinc/68/84/77/599688477.db2.gz QCKJZRMJLBKTKB-KDOFPFPSSA-N -1 3 383.412 2.939 20 5 GFBDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823014869 599695377 /nfs/dbraw/zinc/69/53/77/599695377.db2.gz WZQGSBNBOUTYKS-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=C([O-])c1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000740075067 599828258 /nfs/dbraw/zinc/82/82/58/599828258.db2.gz VWKRBYOFROZFOQ-UHFFFAOYSA-N -1 3 399.403 2.502 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820168783 607406623 /nfs/dbraw/zinc/40/66/23/607406623.db2.gz AJVKQQJLTCZXIP-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820168783 607406624 /nfs/dbraw/zinc/40/66/24/607406624.db2.gz AJVKQQJLTCZXIP-UHFFFAOYSA-N -1 3 386.343 2.954 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826427818 607421521 /nfs/dbraw/zinc/42/15/21/607421521.db2.gz BVSSVMOTBPVXEX-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826427818 607421523 /nfs/dbraw/zinc/42/15/23/607421523.db2.gz BVSSVMOTBPVXEX-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM Cc1oc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000738967487 600430772 /nfs/dbraw/zinc/43/07/72/600430772.db2.gz UWBUSSGPCURCNX-UHFFFAOYSA-N -1 3 389.364 2.624 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832097752 601206364 /nfs/dbraw/zinc/20/63/64/601206364.db2.gz KVYIYEYPUQWWDL-KPZWWZAWSA-N -1 3 387.392 2.594 20 5 GFBDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045024 601656393 /nfs/dbraw/zinc/65/63/93/601656393.db2.gz OQEQUTMKZIHBFY-YJYMSZOUSA-N -1 3 383.404 2.536 20 5 GFBDHM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739097078 602432557 /nfs/dbraw/zinc/43/25/57/602432557.db2.gz CSSIVLWIDIBXSA-XIKOKIGWSA-N -1 3 379.413 2.767 20 5 GFBDHM COc1ccc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205895 607605954 /nfs/dbraw/zinc/60/59/54/607605954.db2.gz SNZDXLRXLBYAPR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205895 607605956 /nfs/dbraw/zinc/60/59/56/607605956.db2.gz SNZDXLRXLBYAPR-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@@H]4CCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499833 607682032 /nfs/dbraw/zinc/68/20/32/607682032.db2.gz ZPTPESNLZJOTQG-CHWSQXEVSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([C@@H]4CCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499833 607682034 /nfs/dbraw/zinc/68/20/34/607682034.db2.gz ZPTPESNLZJOTQG-CHWSQXEVSA-N -1 3 395.423 2.576 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000834186500 605332420 /nfs/dbraw/zinc/33/24/20/605332420.db2.gz WLNQJDFBTYYAQH-JCGIZDLHSA-N -1 3 385.424 2.784 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000825545687 607760788 /nfs/dbraw/zinc/76/07/88/607760788.db2.gz VIJMTVVTYCYFRO-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000825545687 607760789 /nfs/dbraw/zinc/76/07/89/607760789.db2.gz VIJMTVVTYCYFRO-UHFFFAOYSA-N -1 3 397.351 2.596 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000823634517 606031342 /nfs/dbraw/zinc/03/13/42/606031342.db2.gz JEICJWAHSBFARF-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000823634517 606031345 /nfs/dbraw/zinc/03/13/45/606031345.db2.gz JEICJWAHSBFARF-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822977872 606369099 /nfs/dbraw/zinc/36/90/99/606369099.db2.gz ASOYZNKRGJDHMW-UHFFFAOYSA-N -1 3 394.347 2.592 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822977872 606369102 /nfs/dbraw/zinc/36/91/02/606369102.db2.gz ASOYZNKRGJDHMW-UHFFFAOYSA-N -1 3 394.347 2.592 20 5 GFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000820926749 606419093 /nfs/dbraw/zinc/41/90/93/606419093.db2.gz WBGUXXQNAWNRLJ-CJNGLKHVSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000820926749 606419094 /nfs/dbraw/zinc/41/90/94/606419094.db2.gz WBGUXXQNAWNRLJ-CJNGLKHVSA-N -1 3 390.350 2.977 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000823421588 606558128 /nfs/dbraw/zinc/55/81/28/606558128.db2.gz CYSMLIAFVBELLL-UHFFFAOYSA-N -1 3 397.319 2.795 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000823421588 606558129 /nfs/dbraw/zinc/55/81/29/606558129.db2.gz CYSMLIAFVBELLL-UHFFFAOYSA-N -1 3 397.319 2.795 20 5 GFBDHM Cc1cc(C)c(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822194078 606667134 /nfs/dbraw/zinc/66/71/34/606667134.db2.gz HTIGIAJQELTWSV-UHFFFAOYSA-N -1 3 375.291 2.889 20 5 GFBDHM Cc1cc(C)c(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822194078 606667135 /nfs/dbraw/zinc/66/71/35/606667135.db2.gz HTIGIAJQELTWSV-UHFFFAOYSA-N -1 3 375.291 2.889 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C(F)F)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643822 607040958 /nfs/dbraw/zinc/04/09/58/607040958.db2.gz CDBVKNPKRIPOLQ-UHFFFAOYSA-N -1 3 375.339 2.805 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C(F)F)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643822 607040959 /nfs/dbraw/zinc/04/09/59/607040959.db2.gz CDBVKNPKRIPOLQ-UHFFFAOYSA-N -1 3 375.339 2.805 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823318386 607189560 /nfs/dbraw/zinc/18/95/60/607189560.db2.gz DVVPPFLVKFSKPT-UHFFFAOYSA-N -1 3 384.743 2.557 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000819996551 607236530 /nfs/dbraw/zinc/23/65/30/607236530.db2.gz HNBNRKPNXGIXKS-UHFFFAOYSA-N -1 3 394.391 2.522 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000819996551 607236531 /nfs/dbraw/zinc/23/65/31/607236531.db2.gz HNBNRKPNXGIXKS-UHFFFAOYSA-N -1 3 394.391 2.522 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824730932 607833909 /nfs/dbraw/zinc/83/39/09/607833909.db2.gz RGBVDYXHTQXIRJ-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824009924 607973126 /nfs/dbraw/zinc/97/31/26/607973126.db2.gz FKUGSEMQMXZXTO-UHFFFAOYSA-N -1 3 383.364 2.825 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826421599 607979916 /nfs/dbraw/zinc/97/99/16/607979916.db2.gz PRNCPWIYJSUAAO-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826421599 607979917 /nfs/dbraw/zinc/97/99/17/607979917.db2.gz PRNCPWIYJSUAAO-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826304731 608008740 /nfs/dbraw/zinc/00/87/40/608008740.db2.gz WINMYOOGAMXRGI-UHFFFAOYSA-N -1 3 385.405 2.922 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826304731 608008741 /nfs/dbraw/zinc/00/87/41/608008741.db2.gz WINMYOOGAMXRGI-UHFFFAOYSA-N -1 3 385.405 2.922 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467614 608028610 /nfs/dbraw/zinc/02/86/10/608028610.db2.gz FAUWGBSGOLJVMH-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467614 608028611 /nfs/dbraw/zinc/02/86/11/608028611.db2.gz FAUWGBSGOLJVMH-UHFFFAOYSA-N -1 3 392.331 2.787 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nnn[n-]2)c1 ZINC000824516002 608106447 /nfs/dbraw/zinc/10/64/47/608106447.db2.gz VGBDFAFMDPRUMH-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nn[n-]n2)c1 ZINC000824516002 608106448 /nfs/dbraw/zinc/10/64/48/608106448.db2.gz VGBDFAFMDPRUMH-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826421794 608121438 /nfs/dbraw/zinc/12/14/38/608121438.db2.gz ZPLUNKQRWJPNQM-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826421794 608121439 /nfs/dbraw/zinc/12/14/39/608121439.db2.gz ZPLUNKQRWJPNQM-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826173919 608122919 /nfs/dbraw/zinc/12/29/19/608122919.db2.gz BCWCCRIBNAKHBN-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826173919 608122920 /nfs/dbraw/zinc/12/29/20/608122920.db2.gz BCWCCRIBNAKHBN-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM O=C(CCC1CCOCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405367 608162027 /nfs/dbraw/zinc/16/20/27/608162027.db2.gz CYHMZJZBYOBGPW-UHFFFAOYSA-N -1 3 380.792 2.574 20 5 GFBDHM O=C(CCC1CCOCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405367 608162028 /nfs/dbraw/zinc/16/20/28/608162028.db2.gz CYHMZJZBYOBGPW-UHFFFAOYSA-N -1 3 380.792 2.574 20 5 GFBDHM Cc1cncc(C=CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319287 608163660 /nfs/dbraw/zinc/16/36/60/608163660.db2.gz WONVARZTLJBRDT-NSCUHMNNSA-N -1 3 385.771 2.784 20 5 GFBDHM Cc1cncc(C=CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826319287 608163662 /nfs/dbraw/zinc/16/36/62/608163662.db2.gz WONVARZTLJBRDT-NSCUHMNNSA-N -1 3 385.771 2.784 20 5 GFBDHM Cc1ccn2cc(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)nc2c1 ZINC000826308509 608163743 /nfs/dbraw/zinc/16/37/43/608163743.db2.gz CLPXMOOWJUVCKS-UHFFFAOYSA-N -1 3 398.770 2.637 20 5 GFBDHM Cc1ccn2cc(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)nc2c1 ZINC000826308509 608163744 /nfs/dbraw/zinc/16/37/44/608163744.db2.gz CLPXMOOWJUVCKS-UHFFFAOYSA-N -1 3 398.770 2.637 20 5 GFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000825704630 608360973 /nfs/dbraw/zinc/36/09/73/608360973.db2.gz LAJATKSDEIOQEU-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000825704630 608360976 /nfs/dbraw/zinc/36/09/76/608360976.db2.gz LAJATKSDEIOQEU-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000824065146 608449175 /nfs/dbraw/zinc/44/91/75/608449175.db2.gz TYIMZVRBEBPFEO-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000824065146 608449176 /nfs/dbraw/zinc/44/91/76/608449176.db2.gz TYIMZVRBEBPFEO-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471158 608473945 /nfs/dbraw/zinc/47/39/45/608473945.db2.gz ORNLZILODVXMJM-GFCCVEGCSA-N -1 3 396.407 2.810 20 5 GFBDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471158 608473947 /nfs/dbraw/zinc/47/39/47/608473947.db2.gz ORNLZILODVXMJM-GFCCVEGCSA-N -1 3 396.407 2.810 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825962210 609314393 /nfs/dbraw/zinc/31/43/93/609314393.db2.gz UAEODEXNPVGNKM-UHFFFAOYSA-N -1 3 390.407 2.728 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826465693 609353375 /nfs/dbraw/zinc/35/33/75/609353375.db2.gz XWPHVYSYDPQSGU-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826465693 609353377 /nfs/dbraw/zinc/35/33/77/609353377.db2.gz XWPHVYSYDPQSGU-UHFFFAOYSA-N -1 3 393.281 2.749 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000825552767 609490947 /nfs/dbraw/zinc/49/09/47/609490947.db2.gz DREVLOWZXAORSC-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM CCOC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000825552767 609490950 /nfs/dbraw/zinc/49/09/50/609490950.db2.gz DREVLOWZXAORSC-UHFFFAOYSA-N -1 3 383.368 2.955 20 5 GFBDHM O=C(NCCNc1cccc(Br)c1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000820630559 660301323 /nfs/dbraw/zinc/30/13/23/660301323.db2.gz VVILURDMDUVZOH-UHFFFAOYSA-N -1 3 380.198 2.905 20 5 GFBDHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854929 660683317 /nfs/dbraw/zinc/68/33/17/660683317.db2.gz JJUFOSGDRCYKPP-KCJUWKMLSA-N -1 3 394.280 2.663 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(F)c2)c(F)c1 ZINC000135020893 655007760 /nfs/dbraw/zinc/00/77/60/655007760.db2.gz QMDBPESPOLWSII-ZDUSSCGKSA-N -1 3 392.767 2.538 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccn1 ZINC000158102274 655104784 /nfs/dbraw/zinc/10/47/84/655104784.db2.gz YPXJVGCLRYGOEH-SECBINFHSA-N -1 3 386.227 2.792 20 5 GFBDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cs1 ZINC000119728968 655312702 /nfs/dbraw/zinc/31/27/02/655312702.db2.gz WVEISOAKJJDNFS-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM COc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c1OC ZINC000266023147 655495231 /nfs/dbraw/zinc/49/52/31/655495231.db2.gz USGKCZYFJOOSKB-UHFFFAOYSA-N -1 3 378.288 2.735 20 5 GFBDHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746624444 655765220 /nfs/dbraw/zinc/76/52/20/655765220.db2.gz GWKUMFMIYLEADY-VIFPVBQESA-N -1 3 389.227 2.860 20 5 GFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000751467271 655828625 /nfs/dbraw/zinc/82/86/25/655828625.db2.gz GGUMLNQNNPCEOH-AWEZNQCLSA-N -1 3 384.841 2.877 20 5 GFBDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226738 659086091 /nfs/dbraw/zinc/08/60/91/659086091.db2.gz DROOSTNZODNJRJ-GHMZBOCLSA-N -1 3 393.868 2.786 20 5 GFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000808343930 659890651 /nfs/dbraw/zinc/89/06/51/659890651.db2.gz ITSAYWZOARWYJQ-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000048445368 551156603 /nfs/dbraw/zinc/15/66/03/551156603.db2.gz HDUNTFXRTXMESN-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128753254 551351725 /nfs/dbraw/zinc/35/17/25/551351725.db2.gz VOCAOUJCNXUEHH-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178780463 552174756 /nfs/dbraw/zinc/17/47/56/552174756.db2.gz FBQKQXMRHWIMCE-SNVBAGLBSA-N -1 3 384.376 2.689 20 5 GFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000178953427 552180271 /nfs/dbraw/zinc/18/02/71/552180271.db2.gz CDRYQOJBUAMONT-HNNXBMFYSA-N -1 3 381.479 2.973 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000183791370 552319277 /nfs/dbraw/zinc/31/92/77/552319277.db2.gz ABRHSWLHPIBDPY-MRXNPFEDSA-N -1 3 384.841 2.575 20 5 GFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185831791 552372088 /nfs/dbraw/zinc/37/20/88/552372088.db2.gz DLPLXHITHUQFHN-JTQLQIEISA-N -1 3 378.435 2.947 20 5 GFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c([O-])ccc(Br)c1C ZINC000295838186 563264913 /nfs/dbraw/zinc/26/49/13/563264913.db2.gz AYQPQDGIZYAGFE-UHFFFAOYSA-N -1 3 383.202 2.905 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCc2nc(C)sc21 ZINC000378610090 563512181 /nfs/dbraw/zinc/51/21/81/563512181.db2.gz VPDPEQPSNCVOCM-LBPRGKRZSA-N -1 3 383.451 2.724 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cnn(C)c1 ZINC000290689527 563718234 /nfs/dbraw/zinc/71/82/34/563718234.db2.gz HPZRCARGLKEORG-ZETCQYMHSA-N -1 3 379.225 2.675 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(Cc3cccs3)CC2)s1 ZINC000365106055 563773803 /nfs/dbraw/zinc/77/38/03/563773803.db2.gz RWMJPGHFKJUBDO-UHFFFAOYSA-N -1 3 387.508 2.661 20 5 GFBDHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444172819 563823528 /nfs/dbraw/zinc/82/35/28/563823528.db2.gz BEAUDXVWNWGIQF-UHFFFAOYSA-N -1 3 384.285 2.910 20 5 GFBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410892 563824314 /nfs/dbraw/zinc/82/43/14/563824314.db2.gz YGMXXOMYKUPZQC-PWSUYJOCSA-N -1 3 382.360 2.850 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416440121 563829431 /nfs/dbraw/zinc/82/94/31/563829431.db2.gz CMADBVYFKHXGIG-JTQLQIEISA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416484274 563836321 /nfs/dbraw/zinc/83/63/21/563836321.db2.gz RZMGPWPVTQOJSG-ZDUSSCGKSA-N -1 3 382.360 2.707 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000416657109 563858425 /nfs/dbraw/zinc/85/84/25/563858425.db2.gz NDZYNFDRMQBCNK-GFCCVEGCSA-N -1 3 385.442 2.661 20 5 GFBDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862391 564299547 /nfs/dbraw/zinc/29/95/47/564299547.db2.gz XFXFYGANGWQKON-AOOOYVTPSA-N -1 3 379.385 2.831 20 5 GFBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000451618808 564332192 /nfs/dbraw/zinc/33/21/92/564332192.db2.gz WQTFOELNKXTDOU-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000451643929 564334955 /nfs/dbraw/zinc/33/49/55/564334955.db2.gz WIRUZMKWGNXCGX-VIFPVBQESA-N -1 3 382.360 2.846 20 5 GFBDHM CCCc1[nH]nc(C(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000477260538 564371379 /nfs/dbraw/zinc/37/13/79/564371379.db2.gz RBYORGDMVCBFSV-UHFFFAOYSA-N -1 3 386.817 2.580 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(Br)c2)n1 ZINC000568522244 564423463 /nfs/dbraw/zinc/42/34/63/564423463.db2.gz UKAFDLMNFSJANT-UHFFFAOYSA-N -1 3 382.170 2.857 20 5 GFBDHM Cc1cc(Cl)cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1[O-] ZINC000513612689 564434065 /nfs/dbraw/zinc/43/40/65/564434065.db2.gz GBPYPVXCEUYODF-UHFFFAOYSA-N -1 3 384.797 2.918 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000480896151 564494749 /nfs/dbraw/zinc/49/47/49/564494749.db2.gz JGBCVGXMUNZHOA-MEDUHNTESA-N -1 3 383.495 2.934 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000481217439 564505782 /nfs/dbraw/zinc/50/57/82/564505782.db2.gz GFWFBGIWWDUZKG-SECBINFHSA-N -1 3 386.227 2.792 20 5 GFBDHM Cc1nc(C)c(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000518414117 564553137 /nfs/dbraw/zinc/55/31/37/564553137.db2.gz CCTBISAUEHPUHI-UHFFFAOYSA-N -1 3 381.186 2.651 20 5 GFBDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000527077057 564729194 /nfs/dbraw/zinc/72/91/94/564729194.db2.gz BAXPWEDUVYHRIT-OAHLLOKOSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Br)ccc1[N+](=O)[O-] ZINC000527112584 564731035 /nfs/dbraw/zinc/73/10/35/564731035.db2.gz IWPXQQKUBCGUTK-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC2CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493391107 564807782 /nfs/dbraw/zinc/80/77/82/564807782.db2.gz WGJYPISZGUBDRY-UHFFFAOYSA-N -1 3 393.259 2.753 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474755 564807979 /nfs/dbraw/zinc/80/79/79/564807979.db2.gz VCAIOKMEGAZOKT-IONNQARKSA-N -1 3 393.259 2.609 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCSCC(C)C)cc1[N+](=O)[O-] ZINC000493572139 564808415 /nfs/dbraw/zinc/80/84/15/564808415.db2.gz JMEGQANHEBAEKW-UHFFFAOYSA-N -1 3 380.463 2.800 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(CC2CCCC2)C1 ZINC000462582268 564850089 /nfs/dbraw/zinc/85/00/89/564850089.db2.gz AVSOIABLOWAVIC-CYBMUJFWSA-N -1 3 387.889 2.791 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000467072581 564955484 /nfs/dbraw/zinc/95/54/84/564955484.db2.gz BOQFIULWSXUEQS-NSHDSACASA-N -1 3 392.524 2.688 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400987 564962356 /nfs/dbraw/zinc/96/23/56/564962356.db2.gz NCCCPLCJWPVUHP-LBPRGKRZSA-N -1 3 383.495 2.764 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000534411415 564988325 /nfs/dbraw/zinc/98/83/25/564988325.db2.gz RSOWFEBZIKOWPA-NEPJUHHUSA-N -1 3 393.259 2.593 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000469176131 565008581 /nfs/dbraw/zinc/00/85/81/565008581.db2.gz KRDYCQMTHBGLGY-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2SC)cc1[N+](=O)[O-] ZINC000593622460 565348477 /nfs/dbraw/zinc/34/84/77/565348477.db2.gz BSGALMUFKGJMSG-DGCLKSJQSA-N -1 3 378.447 2.695 20 5 GFBDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599410254 565677211 /nfs/dbraw/zinc/67/72/11/565677211.db2.gz GJPNEELWACSLHK-LLVKDONJSA-N -1 3 384.376 2.689 20 5 GFBDHM CC(C)COCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609417910 566039574 /nfs/dbraw/zinc/03/95/74/566039574.db2.gz HSPMSHQUKYHOHJ-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCO1 ZINC000611469374 566131624 /nfs/dbraw/zinc/13/16/24/566131624.db2.gz RAJPQQFVQBFCBT-BXKDBHETSA-N -1 3 393.259 2.593 20 5 GFBDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000613483856 566198666 /nfs/dbraw/zinc/19/86/66/566198666.db2.gz SIHAZYFEFCQUIP-ZDUSSCGKSA-N -1 3 382.463 2.809 20 5 GFBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038133 598888974 /nfs/dbraw/zinc/88/89/74/598888974.db2.gz SFMZSSXTHPTHOW-PGJNLMOESA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038133 598888975 /nfs/dbraw/zinc/88/89/75/598888975.db2.gz SFMZSSXTHPTHOW-PGJNLMOESA-N -1 3 395.375 2.799 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184916 598892050 /nfs/dbraw/zinc/89/20/50/598892050.db2.gz PDITUOXZGMIQDS-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184916 598892052 /nfs/dbraw/zinc/89/20/52/598892052.db2.gz PDITUOXZGMIQDS-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000737400267 598975715 /nfs/dbraw/zinc/97/57/15/598975715.db2.gz RQNMKJUZKVCFMZ-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000737400267 598975717 /nfs/dbraw/zinc/97/57/17/598975717.db2.gz RQNMKJUZKVCFMZ-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000738358116 599064458 /nfs/dbraw/zinc/06/44/58/599064458.db2.gz LEDBZGCZYQXTFO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000738358116 599064461 /nfs/dbraw/zinc/06/44/61/599064461.db2.gz LEDBZGCZYQXTFO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H](O)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645971 599086048 /nfs/dbraw/zinc/08/60/48/599086048.db2.gz YKDCQKWWNRUNLV-QGZVFWFLSA-N -1 3 391.391 2.859 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H](O)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645971 599086051 /nfs/dbraw/zinc/08/60/51/599086051.db2.gz YKDCQKWWNRUNLV-QGZVFWFLSA-N -1 3 391.391 2.859 20 5 GFBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738262094 599118010 /nfs/dbraw/zinc/11/80/10/599118010.db2.gz ZULZPLMNZUMCPB-QGZVFWFLSA-N -1 3 382.405 2.663 20 5 GFBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738262094 599118013 /nfs/dbraw/zinc/11/80/13/599118013.db2.gz ZULZPLMNZUMCPB-QGZVFWFLSA-N -1 3 382.405 2.663 20 5 GFBDHM CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OCC ZINC000821417674 599142050 /nfs/dbraw/zinc/14/20/50/599142050.db2.gz QSEDXEMSSWFURK-UHFFFAOYSA-N -1 3 399.411 2.622 20 5 GFBDHM CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OCC ZINC000821417674 599142052 /nfs/dbraw/zinc/14/20/52/599142052.db2.gz QSEDXEMSSWFURK-UHFFFAOYSA-N -1 3 399.411 2.622 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737373007 599164126 /nfs/dbraw/zinc/16/41/26/599164126.db2.gz PGEMLUFVGVERCQ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737373007 599164128 /nfs/dbraw/zinc/16/41/28/599164128.db2.gz PGEMLUFVGVERCQ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM COc1ccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737090475 599253804 /nfs/dbraw/zinc/25/38/04/599253804.db2.gz PITJAVPEWALNOX-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM COc1ccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737090475 599253805 /nfs/dbraw/zinc/25/38/05/599253805.db2.gz PITJAVPEWALNOX-UHFFFAOYSA-N -1 3 391.391 2.986 20 5 GFBDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000822955496 607298357 /nfs/dbraw/zinc/29/83/57/607298357.db2.gz XNGSVRCZPXZFQE-UHFFFAOYSA-N -1 3 395.379 2.522 20 5 GFBDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000822955496 607298358 /nfs/dbraw/zinc/29/83/58/607298358.db2.gz XNGSVRCZPXZFQE-UHFFFAOYSA-N -1 3 395.379 2.522 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N(Cc3cccnc3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644257 607304257 /nfs/dbraw/zinc/30/42/57/607304257.db2.gz HZPGHWPJJAGCIB-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N(Cc3cccnc3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644257 607304258 /nfs/dbraw/zinc/30/42/58/607304258.db2.gz HZPGHWPJJAGCIB-UHFFFAOYSA-N -1 3 388.391 2.887 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736743136 598281997 /nfs/dbraw/zinc/28/19/97/598281997.db2.gz ZXNPDHDIZOKKEW-UHFFFAOYSA-N -1 3 397.370 2.765 20 5 GFBDHM CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736743136 598281998 /nfs/dbraw/zinc/28/19/98/598281998.db2.gz ZXNPDHDIZOKKEW-UHFFFAOYSA-N -1 3 397.370 2.765 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736676438 598517626 /nfs/dbraw/zinc/51/76/26/598517626.db2.gz VAPXMGNLLBZYRI-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736676438 598517628 /nfs/dbraw/zinc/51/76/28/598517628.db2.gz VAPXMGNLLBZYRI-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736296927 598735587 /nfs/dbraw/zinc/73/55/87/598735587.db2.gz KUGJVPWNKBHUSW-LLVKDONJSA-N -1 3 396.432 2.845 20 5 GFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736296927 598735588 /nfs/dbraw/zinc/73/55/88/598735588.db2.gz KUGJVPWNKBHUSW-LLVKDONJSA-N -1 3 396.432 2.845 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736299158 598735740 /nfs/dbraw/zinc/73/57/40/598735740.db2.gz SKAZMCSCGMRQKT-LBPRGKRZSA-N -1 3 378.392 2.685 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736299158 598735742 /nfs/dbraw/zinc/73/57/42/598735742.db2.gz SKAZMCSCGMRQKT-LBPRGKRZSA-N -1 3 378.392 2.685 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCOc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000738359625 598802720 /nfs/dbraw/zinc/80/27/20/598802720.db2.gz KUIOIYVJYKNGHT-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCOc3cccc(-c4nn[n-]n4)c3)c2)cc1 ZINC000738359625 598802721 /nfs/dbraw/zinc/80/27/21/598802721.db2.gz KUIOIYVJYKNGHT-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM COc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000737096514 599414978 /nfs/dbraw/zinc/41/49/78/599414978.db2.gz VRDUXPDEMNNWKS-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000737096514 599414980 /nfs/dbraw/zinc/41/49/80/599414980.db2.gz VRDUXPDEMNNWKS-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390524 599502067 /nfs/dbraw/zinc/50/20/67/599502067.db2.gz IBQQOMJKEGSHJF-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390524 599502069 /nfs/dbraw/zinc/50/20/69/599502069.db2.gz IBQQOMJKEGSHJF-JTQLQIEISA-N -1 3 377.364 2.747 20 5 GFBDHM CCc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1[N+](=O)[O-] ZINC000821475815 607419389 /nfs/dbraw/zinc/41/93/89/607419389.db2.gz AIUWTXBJUQRQPV-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM CCc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821475815 607419391 /nfs/dbraw/zinc/41/93/91/607419391.db2.gz AIUWTXBJUQRQPV-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM O=C([O-])c1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082018 600187376 /nfs/dbraw/zinc/18/73/76/600187376.db2.gz SYQLZFAUDQLQBP-AWEZNQCLSA-N -1 3 384.392 2.539 20 5 GFBDHM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826233973 607437457 /nfs/dbraw/zinc/43/74/57/607437457.db2.gz CBLXXKOVWFXXFE-UHFFFAOYSA-N -1 3 397.351 2.577 20 5 GFBDHM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826233973 607437459 /nfs/dbraw/zinc/43/74/59/607437459.db2.gz CBLXXKOVWFXXFE-UHFFFAOYSA-N -1 3 397.351 2.577 20 5 GFBDHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826460416 607468677 /nfs/dbraw/zinc/46/86/77/607468677.db2.gz BREKTYWEIITKHD-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826460416 607468678 /nfs/dbraw/zinc/46/86/78/607468678.db2.gz BREKTYWEIITKHD-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1-c1nnn[n-]1 ZINC000826203976 607559823 /nfs/dbraw/zinc/55/98/23/607559823.db2.gz PPUZPIWMVQJEGG-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1-c1nn[n-]n1 ZINC000826203976 607559824 /nfs/dbraw/zinc/55/98/24/607559824.db2.gz PPUZPIWMVQJEGG-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000826203866 607560089 /nfs/dbraw/zinc/56/00/89/607560089.db2.gz JNWZFVQAEPMPFY-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000826203866 607560091 /nfs/dbraw/zinc/56/00/91/607560091.db2.gz JNWZFVQAEPMPFY-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826206499 607595773 /nfs/dbraw/zinc/59/57/73/607595773.db2.gz WUMAFLRUVLDMKQ-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000826206499 607595774 /nfs/dbraw/zinc/59/57/74/607595774.db2.gz WUMAFLRUVLDMKQ-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822200910 606471068 /nfs/dbraw/zinc/47/10/68/606471068.db2.gz IFHTZWNRJWICDB-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822200910 606471069 /nfs/dbraw/zinc/47/10/69/606471069.db2.gz IFHTZWNRJWICDB-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821763022 606576432 /nfs/dbraw/zinc/57/64/32/606576432.db2.gz SOACZAVRYDDLQQ-LLVKDONJSA-N -1 3 397.395 2.975 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821763022 606576433 /nfs/dbraw/zinc/57/64/33/606576433.db2.gz SOACZAVRYDDLQQ-LLVKDONJSA-N -1 3 397.395 2.975 20 5 GFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823332603 606666611 /nfs/dbraw/zinc/66/66/11/606666611.db2.gz PBTCMIHRQJMURB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823332603 606666612 /nfs/dbraw/zinc/66/66/12/606666612.db2.gz PBTCMIHRQJMURB-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000819928761 606724228 /nfs/dbraw/zinc/72/42/28/606724228.db2.gz WNKJXTANAVVEQO-GFCCVEGCSA-N -1 3 388.428 2.723 20 5 GFBDHM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000819928761 606724230 /nfs/dbraw/zinc/72/42/30/606724230.db2.gz WNKJXTANAVVEQO-GFCCVEGCSA-N -1 3 388.428 2.723 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823634163 606788983 /nfs/dbraw/zinc/78/89/83/606788983.db2.gz BKOHTLXUUJHPLS-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823634163 606788985 /nfs/dbraw/zinc/78/89/85/606788985.db2.gz BKOHTLXUUJHPLS-UHFFFAOYSA-N -1 3 394.164 2.684 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823066119 606994329 /nfs/dbraw/zinc/99/43/29/606994329.db2.gz MPEIUPDSUNKSMM-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823066119 606994330 /nfs/dbraw/zinc/99/43/30/606994330.db2.gz MPEIUPDSUNKSMM-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821669012 607026331 /nfs/dbraw/zinc/02/63/31/607026331.db2.gz UMNMBWMGWCRRTC-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821669012 607026333 /nfs/dbraw/zinc/02/63/33/607026333.db2.gz UMNMBWMGWCRRTC-UHFFFAOYSA-N -1 3 388.771 2.827 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822271242 607079945 /nfs/dbraw/zinc/07/99/45/607079945.db2.gz SQSOKNMDXQFDIJ-UHFFFAOYSA-N -1 3 383.364 2.846 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822271242 607079946 /nfs/dbraw/zinc/07/99/46/607079946.db2.gz SQSOKNMDXQFDIJ-UHFFFAOYSA-N -1 3 383.364 2.846 20 5 GFBDHM CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825998784 607848154 /nfs/dbraw/zinc/84/81/54/607848154.db2.gz CSBMORJGGPNLBD-UHFFFAOYSA-N -1 3 394.370 2.871 20 5 GFBDHM CCCCOc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825290749 607862712 /nfs/dbraw/zinc/86/27/12/607862712.db2.gz HCQLBSBWVNAOBF-UHFFFAOYSA-N -1 3 389.153 2.558 20 5 GFBDHM CCCCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825290749 607862713 /nfs/dbraw/zinc/86/27/13/607862713.db2.gz HCQLBSBWVNAOBF-UHFFFAOYSA-N -1 3 389.153 2.558 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826421786 607979750 /nfs/dbraw/zinc/97/97/50/607979750.db2.gz ZCSMNSXFBIHRBM-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826421786 607979751 /nfs/dbraw/zinc/97/97/51/607979751.db2.gz ZCSMNSXFBIHRBM-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826440018 607996671 /nfs/dbraw/zinc/99/66/71/607996671.db2.gz UVFYCBOUKWGAAG-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826440018 607996672 /nfs/dbraw/zinc/99/66/72/607996672.db2.gz UVFYCBOUKWGAAG-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464118 608104992 /nfs/dbraw/zinc/10/49/92/608104992.db2.gz JHGGXMHJKKCUOZ-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM Cc1cc([C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000826266719 608151404 /nfs/dbraw/zinc/15/14/04/608151404.db2.gz YXYLNKJOIDPEJM-QGZVFWFLSA-N -1 3 384.371 2.800 20 5 GFBDHM Cc1cc([C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000826266719 608151406 /nfs/dbraw/zinc/15/14/06/608151406.db2.gz YXYLNKJOIDPEJM-QGZVFWFLSA-N -1 3 384.371 2.800 20 5 GFBDHM CCOCCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000825589814 608161258 /nfs/dbraw/zinc/16/12/58/608161258.db2.gz JOVLDIIEKLXXEY-UHFFFAOYSA-N -1 3 394.819 2.964 20 5 GFBDHM CCOCCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000825589814 608161259 /nfs/dbraw/zinc/16/12/59/608161259.db2.gz JOVLDIIEKLXXEY-UHFFFAOYSA-N -1 3 394.819 2.964 20 5 GFBDHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826338379 608161934 /nfs/dbraw/zinc/16/19/34/608161934.db2.gz TYNYGVJNWMCMSP-ZCFIWIBFSA-N -1 3 391.775 2.775 20 5 GFBDHM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826338379 608161936 /nfs/dbraw/zinc/16/19/36/608161936.db2.gz TYNYGVJNWMCMSP-ZCFIWIBFSA-N -1 3 391.775 2.775 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473903 608244889 /nfs/dbraw/zinc/24/48/89/608244889.db2.gz SSHGAVIINPMHAM-UHFFFAOYSA-N -1 3 387.359 2.526 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473903 608244891 /nfs/dbraw/zinc/24/48/91/608244891.db2.gz SSHGAVIINPMHAM-UHFFFAOYSA-N -1 3 387.359 2.526 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826466316 608254249 /nfs/dbraw/zinc/25/42/49/608254249.db2.gz XJCAUQDEYCZQRU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826466316 608254252 /nfs/dbraw/zinc/25/42/52/608254252.db2.gz XJCAUQDEYCZQRU-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826466447 608437339 /nfs/dbraw/zinc/43/73/39/608437339.db2.gz DELALVLILLVPAD-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826466447 608437341 /nfs/dbraw/zinc/43/73/41/608437341.db2.gz DELALVLILLVPAD-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=[N+]([O-])c1ccccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826501092 608558898 /nfs/dbraw/zinc/55/88/98/608558898.db2.gz ZBYYEDFWYXXBQX-UHFFFAOYSA-N -1 3 381.396 2.972 20 5 GFBDHM O=[N+]([O-])c1ccccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826501092 608558900 /nfs/dbraw/zinc/55/89/00/608558900.db2.gz ZBYYEDFWYXXBQX-UHFFFAOYSA-N -1 3 381.396 2.972 20 5 GFBDHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000824632477 608563637 /nfs/dbraw/zinc/56/36/37/608563637.db2.gz AEHKVBJUHWKXPB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000824632477 608563639 /nfs/dbraw/zinc/56/36/39/608563639.db2.gz AEHKVBJUHWKXPB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM CC(C)(C)OC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000824114490 608584884 /nfs/dbraw/zinc/58/48/84/608584884.db2.gz UGCDWWQJYBEPBM-UHFFFAOYSA-N -1 3 397.395 2.737 20 5 GFBDHM CC(C)(C)OC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000824114490 608584885 /nfs/dbraw/zinc/58/48/85/608584885.db2.gz UGCDWWQJYBEPBM-UHFFFAOYSA-N -1 3 397.395 2.737 20 5 GFBDHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000823943659 609508530 /nfs/dbraw/zinc/50/85/30/609508530.db2.gz RCDFEGJWILRKIU-QBFSEMIESA-N -1 3 390.403 2.984 20 5 GFBDHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000823943659 609508532 /nfs/dbraw/zinc/50/85/32/609508532.db2.gz RCDFEGJWILRKIU-QBFSEMIESA-N -1 3 390.403 2.984 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(F)F ZINC000831729635 660723324 /nfs/dbraw/zinc/72/33/24/660723324.db2.gz YIMDKPFYKHQISV-MRVPVSSYSA-N -1 3 387.202 2.988 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000153969467 655072305 /nfs/dbraw/zinc/07/23/05/655072305.db2.gz DOOWXJNOVAAROJ-OAHLLOKOSA-N -1 3 388.804 2.573 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000735525763 655648465 /nfs/dbraw/zinc/64/84/65/655648465.db2.gz NRCFKZIARKZXJY-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738353159 655689373 /nfs/dbraw/zinc/68/93/73/655689373.db2.gz MKKJETLEJOTVDD-UHFFFAOYSA-N -1 3 391.236 2.687 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cccnc1Cl ZINC000778051626 656857854 /nfs/dbraw/zinc/85/78/54/656857854.db2.gz XFGAQPRZHRIFQO-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM CO[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC000786876166 657479344 /nfs/dbraw/zinc/47/93/44/657479344.db2.gz SSWCQOMJVZNEDP-LLVKDONJSA-N -1 3 390.767 2.802 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2cccc([N+](=O)[O-])c2Br)[n-]1 ZINC000807400510 659854135 /nfs/dbraw/zinc/85/41/35/659854135.db2.gz UVKYNOSPMAPMJN-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c[n-]1 ZINC000807400510 659854137 /nfs/dbraw/zinc/85/41/37/659854137.db2.gz UVKYNOSPMAPMJN-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCCN1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809806590 659939976 /nfs/dbraw/zinc/93/99/76/659939976.db2.gz QENRAAUZNDAELS-UHFFFAOYSA-N -1 3 379.841 2.540 20 5 GFBDHM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000848698447 661675442 /nfs/dbraw/zinc/67/54/42/661675442.db2.gz SRRUOKWYLLHSGZ-UHFFFAOYSA-N -1 3 381.357 2.832 20 5 GFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1(F)F ZINC000851819828 661834565 /nfs/dbraw/zinc/83/45/65/661834565.db2.gz JMSANNOICQZUIZ-SNVBAGLBSA-N -1 3 399.213 2.927 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2SCCS2)c(C(F)(F)F)c1 ZINC000851833491 661836875 /nfs/dbraw/zinc/83/68/75/661836875.db2.gz WPVZTWDNDHDUHM-UHFFFAOYSA-N -1 3 388.414 2.698 20 5 GFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)OCC ZINC000859257151 662148251 /nfs/dbraw/zinc/14/82/51/662148251.db2.gz HTBHFGPUXVVDHT-NSHDSACASA-N -1 3 395.275 2.841 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])s1 ZINC000921571839 664553936 /nfs/dbraw/zinc/55/39/36/664553936.db2.gz DDHVXYCTLYYXOH-SCZZXKLOSA-N -1 3 388.389 2.743 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[n-]1 ZINC000520260397 532487816 /nfs/dbraw/zinc/48/78/16/532487816.db2.gz NHYLLZMAYRFSMX-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[n-]n1 ZINC000520260397 532487821 /nfs/dbraw/zinc/48/78/21/532487821.db2.gz NHYLLZMAYRFSMX-UHFFFAOYSA-N -1 3 397.185 2.818 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000056039054 551175746 /nfs/dbraw/zinc/17/57/46/551175746.db2.gz VJXYBVMQHYHNLS-CYBMUJFWSA-N -1 3 389.886 2.891 20 5 GFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000056073767 551176759 /nfs/dbraw/zinc/17/67/59/551176759.db2.gz LOLLXYBULFIKFS-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000125057627 551319487 /nfs/dbraw/zinc/31/94/87/551319487.db2.gz UGICMRYZDYRJFX-UHFFFAOYSA-N -1 3 387.458 2.514 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000151254864 551410092 /nfs/dbraw/zinc/41/00/92/551410092.db2.gz HALHZKJILAZKJS-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000151254864 551410093 /nfs/dbraw/zinc/41/00/93/551410093.db2.gz HALHZKJILAZKJS-UHFFFAOYSA-N -1 3 389.169 2.790 20 5 GFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c1 ZINC000151471388 551414165 /nfs/dbraw/zinc/41/41/65/551414165.db2.gz MGXQEUGTGGHONE-UHFFFAOYSA-N -1 3 379.419 2.931 20 5 GFBDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000158233423 551548370 /nfs/dbraw/zinc/54/83/70/551548370.db2.gz CTYSFTVQWWXYES-LBPRGKRZSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000171415219 551655176 /nfs/dbraw/zinc/65/51/76/551655176.db2.gz DPYGVFORFXUBBH-SECBINFHSA-N -1 3 386.227 2.792 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183375707 552307261 /nfs/dbraw/zinc/30/72/61/552307261.db2.gz OMWJKJGEFCKUJS-CYBMUJFWSA-N -1 3 381.841 2.805 20 5 GFBDHM CCCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474181585 564268582 /nfs/dbraw/zinc/26/85/82/564268582.db2.gz YELPRMZCEGBVGI-UHFFFAOYSA-N -1 3 384.285 2.912 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282803774 563425148 /nfs/dbraw/zinc/42/51/48/563425148.db2.gz RSNMTXFKKIBDNT-CYBMUJFWSA-N -1 3 384.845 2.646 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c(F)c1 ZINC000314529758 563439331 /nfs/dbraw/zinc/43/93/31/563439331.db2.gz ABNVQPRYSDMMIE-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000330539333 563510339 /nfs/dbraw/zinc/51/03/39/563510339.db2.gz QTPHGSKHYIYRED-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)cc1[N+](=O)[O-] ZINC000432300257 563580081 /nfs/dbraw/zinc/58/00/81/563580081.db2.gz DTVAKQXELNOLAO-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000446951113 563871211 /nfs/dbraw/zinc/87/12/11/563871211.db2.gz SLTDNZHPORTVAG-VIFPVBQESA-N -1 3 386.227 2.792 20 5 GFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447042559 563873150 /nfs/dbraw/zinc/87/31/50/563873150.db2.gz SRNPRQFIIIWBPD-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000510373377 564332010 /nfs/dbraw/zinc/33/20/10/564332010.db2.gz GKKFDGRJWYIRHR-UHFFFAOYSA-N -1 3 390.845 2.648 20 5 GFBDHM CCC[C@]1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000510519518 564336537 /nfs/dbraw/zinc/33/65/37/564336537.db2.gz TZROFMNHOLDTHC-ZDUSSCGKSA-N -1 3 393.259 2.595 20 5 GFBDHM CCC[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000510532269 564337583 /nfs/dbraw/zinc/33/75/83/564337583.db2.gz FTANNGXNENUMNQ-CYBMUJFWSA-N -1 3 382.360 2.851 20 5 GFBDHM Cc1c(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)cccc1[N+](=O)[O-] ZINC000511312802 564366610 /nfs/dbraw/zinc/36/66/10/564366610.db2.gz BANLUKXKKCSMOC-UHFFFAOYSA-N -1 3 389.209 2.917 20 5 GFBDHM COCCC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000481270184 564508540 /nfs/dbraw/zinc/50/85/40/564508540.db2.gz UFAZXCDORISIIT-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nnc(C(F)(F)F)[n-]1 ZINC000481915478 564528441 /nfs/dbraw/zinc/52/84/41/564528441.db2.gz VZTMNKAFZZLIFE-UHFFFAOYSA-N -1 3 395.750 2.794 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1n[n-]c(C(F)(F)F)n1 ZINC000481915478 564528442 /nfs/dbraw/zinc/52/84/42/564528442.db2.gz VZTMNKAFZZLIFE-UHFFFAOYSA-N -1 3 395.750 2.794 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(C(F)(F)F)n[n-]1 ZINC000481915478 564528446 /nfs/dbraw/zinc/52/84/46/564528446.db2.gz VZTMNKAFZZLIFE-UHFFFAOYSA-N -1 3 395.750 2.794 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccn1-c1ccccc1 ZINC000517768265 564542428 /nfs/dbraw/zinc/54/24/28/564542428.db2.gz RHCNEGLUXDHBCM-LLVKDONJSA-N -1 3 378.435 2.882 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000482899665 564552768 /nfs/dbraw/zinc/55/27/68/564552768.db2.gz MDGBPIRPNNBCFX-UHFFFAOYSA-N -1 3 382.452 2.786 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000549915655 564609076 /nfs/dbraw/zinc/60/90/76/564609076.db2.gz URQSOWFVOWDZOJ-LBPRGKRZSA-N -1 3 376.862 2.715 20 5 GFBDHM COC(=O)c1cc([N-]C(=O)c2nc(SC)ncc2Cl)cc([N+](=O)[O-])c1 ZINC000522923719 564659278 /nfs/dbraw/zinc/65/92/78/564659278.db2.gz DAJRKQNPAFTZFS-UHFFFAOYSA-N -1 3 382.785 2.799 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000527112333 564730449 /nfs/dbraw/zinc/73/04/49/564730449.db2.gz NVAPTKOVRFGXSL-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000491584717 564793759 /nfs/dbraw/zinc/79/37/59/564793759.db2.gz WTKAORGUOOHSKG-LBPRGKRZSA-N -1 3 384.410 2.868 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000462441964 564840216 /nfs/dbraw/zinc/84/02/16/564840216.db2.gz QHGNLZXVIGUWSQ-SECBINFHSA-N -1 3 394.280 2.664 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617362 564888896 /nfs/dbraw/zinc/88/88/96/564888896.db2.gz ZDLXRPNGJVRXPQ-GFCCVEGCSA-N -1 3 389.886 2.891 20 5 GFBDHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467065183 564954299 /nfs/dbraw/zinc/95/42/99/564954299.db2.gz XWXAPMRNWIIFKD-SNVBAGLBSA-N -1 3 386.451 2.719 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143360 565005530 /nfs/dbraw/zinc/00/55/30/565005530.db2.gz RTTDXHIBECYTKW-MCFWBGNESA-N -1 3 382.463 2.680 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000469198879 565009211 /nfs/dbraw/zinc/00/92/11/565009211.db2.gz CLXYZAOUQKZTKK-UHFFFAOYSA-N -1 3 390.826 2.575 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3n2C)cc1[N+](=O)[O-] ZINC000469391929 565016564 /nfs/dbraw/zinc/01/65/64/565016564.db2.gz XBAHAZLFXBTOEG-UHFFFAOYSA-N -1 3 380.451 2.638 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588172 565193106 /nfs/dbraw/zinc/19/31/06/565193106.db2.gz FQVFIXYFERFYLD-AWEZNQCLSA-N -1 3 387.458 2.685 20 5 GFBDHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000591324250 565224211 /nfs/dbraw/zinc/22/42/11/565224211.db2.gz OTYHTBLSHMXVSH-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM O=C([N-]c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1nccs1 ZINC000618622363 565307486 /nfs/dbraw/zinc/30/74/86/565307486.db2.gz FYLYVLLQDUBEIM-UHFFFAOYSA-N -1 3 396.431 2.593 20 5 GFBDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572869 565344311 /nfs/dbraw/zinc/34/43/11/565344311.db2.gz MTMDHDZRLYBISV-ZUZCIYMTSA-N -1 3 385.829 2.698 20 5 GFBDHM O=[N+]([O-])c1sccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000619746176 565357592 /nfs/dbraw/zinc/35/75/92/565357592.db2.gz WVCNMXHAIKLHQQ-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486809 565395805 /nfs/dbraw/zinc/39/58/05/565395805.db2.gz IYASIUNNGKHVEV-AAEUAGOBSA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486810 565396107 /nfs/dbraw/zinc/39/61/07/565396107.db2.gz IYASIUNNGKHVEV-DGCLKSJQSA-N -1 3 382.360 2.682 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC2(CSC)CC2)cc1[N+](=O)[O-] ZINC000594816007 565424953 /nfs/dbraw/zinc/42/49/53/565424953.db2.gz NXTCMNGGRQYHFC-UHFFFAOYSA-N -1 3 378.447 2.554 20 5 GFBDHM Cc1cc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])s1 ZINC000596065583 565512285 /nfs/dbraw/zinc/51/22/85/565512285.db2.gz SVIMXGOYUCYEGX-UHFFFAOYSA-N -1 3 387.508 2.974 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461921 565681229 /nfs/dbraw/zinc/68/12/29/565681229.db2.gz XNQYRDKHUCPASB-VXFNFUGZSA-N -1 3 382.360 2.704 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459856 565681316 /nfs/dbraw/zinc/68/13/16/565681316.db2.gz OSFCVMVARBZASZ-NMSKTSORSA-N -1 3 382.360 2.704 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c(Cl)c1 ZINC000609598208 566046161 /nfs/dbraw/zinc/04/61/61/566046161.db2.gz SNKLRZPKJNJIBZ-HNNXBMFYSA-N -1 3 382.825 2.841 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000610711784 566093773 /nfs/dbraw/zinc/09/37/73/566093773.db2.gz HISGQSUKZTUQCC-LBPRGKRZSA-N -1 3 384.797 2.669 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000613483805 566198695 /nfs/dbraw/zinc/19/86/95/566198695.db2.gz FTOSUCQQVPQEGI-SECBINFHSA-N -1 3 376.362 2.655 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000613474311 566199127 /nfs/dbraw/zinc/19/91/27/566199127.db2.gz YLGMGUBDWKJIOB-UHFFFAOYSA-N -1 3 383.451 2.660 20 5 GFBDHM Cc1ccc(NCCCNc2nc3c(cc2-c2nnn[n-]2)CCC3)c([N+](=O)[O-])c1 ZINC000737361429 598856406 /nfs/dbraw/zinc/85/64/06/598856406.db2.gz HDMWBHSLAATZJU-UHFFFAOYSA-N -1 3 394.439 2.881 20 5 GFBDHM Cc1ccc(NCCCNc2nc3c(cc2-c2nn[n-]n2)CCC3)c([N+](=O)[O-])c1 ZINC000737361429 598856408 /nfs/dbraw/zinc/85/64/08/598856408.db2.gz HDMWBHSLAATZJU-UHFFFAOYSA-N -1 3 394.439 2.881 20 5 GFBDHM CC(C)(C)c1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735651391 599170941 /nfs/dbraw/zinc/17/09/41/599170941.db2.gz TYTSABKDAVOHCH-HNNXBMFYSA-N -1 3 383.412 2.613 20 5 GFBDHM CC(C)(C)c1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735651391 599170943 /nfs/dbraw/zinc/17/09/43/599170943.db2.gz TYTSABKDAVOHCH-HNNXBMFYSA-N -1 3 383.412 2.613 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737966861 599249729 /nfs/dbraw/zinc/24/97/29/599249729.db2.gz JJPSXYOQRRVKAQ-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737966861 599249731 /nfs/dbraw/zinc/24/97/31/599249731.db2.gz JJPSXYOQRRVKAQ-UHFFFAOYSA-N -1 3 376.735 2.749 20 5 GFBDHM Cc1cc(C)n(CCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000737256864 599255253 /nfs/dbraw/zinc/25/52/53/599255253.db2.gz OMUSCRJBYUCKER-UHFFFAOYSA-N -1 3 393.411 2.639 20 5 GFBDHM Cc1cc(C)n(CCCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000737256864 599255255 /nfs/dbraw/zinc/25/52/55/599255255.db2.gz OMUSCRJBYUCKER-UHFFFAOYSA-N -1 3 393.411 2.639 20 5 GFBDHM CC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920452 607302039 /nfs/dbraw/zinc/30/20/39/607302039.db2.gz PZPWXOSCBXZXTO-ZDUSSCGKSA-N -1 3 387.787 2.704 20 5 GFBDHM CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920452 607302040 /nfs/dbraw/zinc/30/20/40/607302040.db2.gz PZPWXOSCBXZXTO-ZDUSSCGKSA-N -1 3 387.787 2.704 20 5 GFBDHM C[C@@H](Cc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820308114 607329174 /nfs/dbraw/zinc/32/91/74/607329174.db2.gz RGDYEMUCLRYGFW-VIFPVBQESA-N -1 3 382.409 2.823 20 5 GFBDHM C[C@@H](Cc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820308114 607329175 /nfs/dbraw/zinc/32/91/75/607329175.db2.gz RGDYEMUCLRYGFW-VIFPVBQESA-N -1 3 382.409 2.823 20 5 GFBDHM COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000737137734 598354509 /nfs/dbraw/zinc/35/45/09/598354509.db2.gz DILDEPSBIOQNPL-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000737137734 598354510 /nfs/dbraw/zinc/35/45/10/598354510.db2.gz DILDEPSBIOQNPL-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155060 598484399 /nfs/dbraw/zinc/48/43/99/598484399.db2.gz GODXSNCJKWBJMP-JTQLQIEISA-N -1 3 387.327 2.597 20 5 GFBDHM C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155060 598484401 /nfs/dbraw/zinc/48/44/01/598484401.db2.gz GODXSNCJKWBJMP-JTQLQIEISA-N -1 3 387.327 2.597 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737117480 598490196 /nfs/dbraw/zinc/49/01/96/598490196.db2.gz WOXOSYLWCVWFRM-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737117480 598490197 /nfs/dbraw/zinc/49/01/97/598490197.db2.gz WOXOSYLWCVWFRM-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000737236109 598545178 /nfs/dbraw/zinc/54/51/78/598545178.db2.gz AYGBGZZUGVTBMI-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000737236109 598545180 /nfs/dbraw/zinc/54/51/80/598545180.db2.gz AYGBGZZUGVTBMI-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736504517 599313515 /nfs/dbraw/zinc/31/35/15/599313515.db2.gz FQZVCQDMJZPVTF-UHFFFAOYSA-N -1 3 381.396 2.630 20 5 GFBDHM CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736504517 599313518 /nfs/dbraw/zinc/31/35/18/599313518.db2.gz FQZVCQDMJZPVTF-UHFFFAOYSA-N -1 3 381.396 2.630 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644690 599523025 /nfs/dbraw/zinc/52/30/25/599523025.db2.gz KORGNZNYYRGRQG-MRXNPFEDSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644690 599523028 /nfs/dbraw/zinc/52/30/28/599523028.db2.gz KORGNZNYYRGRQG-MRXNPFEDSA-N -1 3 383.412 2.676 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821846578 599526405 /nfs/dbraw/zinc/52/64/05/599526405.db2.gz UVQXYKBGBRWXCX-UHFFFAOYSA-N -1 3 396.407 2.831 20 5 GFBDHM Cc1c(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1-c1ccccc1F ZINC000822129564 607383762 /nfs/dbraw/zinc/38/37/62/607383762.db2.gz LNBCOLPQNRHVJR-UHFFFAOYSA-N -1 3 381.331 2.547 20 5 GFBDHM Cc1c(CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236247 607390711 /nfs/dbraw/zinc/39/07/11/607390711.db2.gz DXVNWOQOSABXAQ-UHFFFAOYSA-N -1 3 397.391 2.638 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823066128 607466600 /nfs/dbraw/zinc/46/66/00/607466600.db2.gz MTZDPRMBKLFEPO-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823066128 607466601 /nfs/dbraw/zinc/46/66/01/607466601.db2.gz MTZDPRMBKLFEPO-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM COc1ccc(COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826205105 607595284 /nfs/dbraw/zinc/59/52/84/607595284.db2.gz KNRARPJAXQVBDX-WEVVVXLNSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1ccc(COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826205105 607595286 /nfs/dbraw/zinc/59/52/86/607595286.db2.gz KNRARPJAXQVBDX-WEVVVXLNSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1-c1nnn[n-]1 ZINC000826205735 607598937 /nfs/dbraw/zinc/59/89/37/607598937.db2.gz JWSQRQBCBUOOKG-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1-c1nn[n-]n1 ZINC000826205735 607598939 /nfs/dbraw/zinc/59/89/39/607598939.db2.gz JWSQRQBCBUOOKG-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nnn[n-]1 ZINC000826304524 607599474 /nfs/dbraw/zinc/59/94/74/607599474.db2.gz OIYIKDILZQWDQD-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000833415458 605178446 /nfs/dbraw/zinc/17/84/46/605178446.db2.gz VYWSVBXWCSBAPW-IBGZPJMESA-N -1 3 397.431 2.926 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CCCOC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644678 606143197 /nfs/dbraw/zinc/14/31/97/606143197.db2.gz KFPQXKDTLOVGKS-LJQANCHMSA-N -1 3 395.423 2.720 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CCCOC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644678 606143198 /nfs/dbraw/zinc/14/31/98/606143198.db2.gz KFPQXKDTLOVGKS-LJQANCHMSA-N -1 3 395.423 2.720 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822195599 606243743 /nfs/dbraw/zinc/24/37/43/606243743.db2.gz XVOMWQOLKWLUMN-OAHLLOKOSA-N -1 3 393.407 2.609 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822195599 606243745 /nfs/dbraw/zinc/24/37/45/606243745.db2.gz XVOMWQOLKWLUMN-OAHLLOKOSA-N -1 3 393.407 2.609 20 5 GFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160004 606438356 /nfs/dbraw/zinc/43/83/56/606438356.db2.gz FXDXFQKJHNEETO-LLVKDONJSA-N -1 3 381.396 2.580 20 5 GFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160004 606438358 /nfs/dbraw/zinc/43/83/58/606438358.db2.gz FXDXFQKJHNEETO-LLVKDONJSA-N -1 3 381.396 2.580 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228807 606448566 /nfs/dbraw/zinc/44/85/66/606448566.db2.gz GBALGRHZKKBSPU-CHWSQXEVSA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228807 606448569 /nfs/dbraw/zinc/44/85/69/606448569.db2.gz GBALGRHZKKBSPU-CHWSQXEVSA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229174 606449261 /nfs/dbraw/zinc/44/92/61/606449261.db2.gz OGRSWIFWNIPEAP-CYBMUJFWSA-N -1 3 380.408 2.893 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229174 606449263 /nfs/dbraw/zinc/44/92/63/606449263.db2.gz OGRSWIFWNIPEAP-CYBMUJFWSA-N -1 3 380.408 2.893 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000823421603 606559985 /nfs/dbraw/zinc/55/99/85/606559985.db2.gz DRIIJSFVQANOCK-UHFFFAOYSA-N -1 3 397.319 2.795 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000823421603 606559987 /nfs/dbraw/zinc/55/99/87/606559987.db2.gz DRIIJSFVQANOCK-UHFFFAOYSA-N -1 3 397.319 2.795 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1[N+](=O)[O-] ZINC000822203326 606561399 /nfs/dbraw/zinc/56/13/99/606561399.db2.gz OOJPSYQIJDVKPK-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC000822203326 606561401 /nfs/dbraw/zinc/56/14/01/606561401.db2.gz OOJPSYQIJDVKPK-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822271223 606638634 /nfs/dbraw/zinc/63/86/34/606638634.db2.gz RLQLFAPGSOYMAB-GFCCVEGCSA-N -1 3 399.436 2.671 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822271223 606638635 /nfs/dbraw/zinc/63/86/35/606638635.db2.gz RLQLFAPGSOYMAB-GFCCVEGCSA-N -1 3 399.436 2.671 20 5 GFBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820026050 606720726 /nfs/dbraw/zinc/72/07/26/606720726.db2.gz GOZXQTSFAAKCCF-HNNXBMFYSA-N -1 3 379.384 2.627 20 5 GFBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820026050 606720728 /nfs/dbraw/zinc/72/07/28/606720728.db2.gz GOZXQTSFAAKCCF-HNNXBMFYSA-N -1 3 379.384 2.627 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nnc(-c3ccccc3)s2)c(-c2nnn[n-]2)c1 ZINC000823639459 607118094 /nfs/dbraw/zinc/11/80/94/607118094.db2.gz APHIMMWCAIQOKO-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nnc(-c3ccccc3)s2)c(-c2nn[n-]n2)c1 ZINC000823639459 607118095 /nfs/dbraw/zinc/11/80/95/607118095.db2.gz APHIMMWCAIQOKO-UHFFFAOYSA-N -1 3 380.393 2.906 20 5 GFBDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826167726 607872014 /nfs/dbraw/zinc/87/20/14/607872014.db2.gz OVESPDDUHIHVSM-ZDUSSCGKSA-N -1 3 391.771 2.549 20 5 GFBDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826167726 607872015 /nfs/dbraw/zinc/87/20/15/607872015.db2.gz OVESPDDUHIHVSM-ZDUSSCGKSA-N -1 3 391.771 2.549 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826499675 607876745 /nfs/dbraw/zinc/87/67/45/607876745.db2.gz RTODDYCNDDRGMY-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826499675 607876746 /nfs/dbraw/zinc/87/67/46/607876746.db2.gz RTODDYCNDDRGMY-ZDUSSCGKSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826499203 607905750 /nfs/dbraw/zinc/90/57/50/607905750.db2.gz ZNKXRZZGGFDUBT-CQSZACIVSA-N -1 3 390.407 2.794 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000826499203 607905751 /nfs/dbraw/zinc/90/57/51/607905751.db2.gz ZNKXRZZGGFDUBT-CQSZACIVSA-N -1 3 390.407 2.794 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826421391 607979722 /nfs/dbraw/zinc/97/97/22/607979722.db2.gz GJNXKMMHRLCZJA-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826421391 607979723 /nfs/dbraw/zinc/97/97/23/607979723.db2.gz GJNXKMMHRLCZJA-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826172085 608347096 /nfs/dbraw/zinc/34/70/96/608347096.db2.gz MSHRPBROXZIWGV-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826172085 608347099 /nfs/dbraw/zinc/34/70/99/608347099.db2.gz MSHRPBROXZIWGV-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824634729 608482287 /nfs/dbraw/zinc/48/22/87/608482287.db2.gz XMXAYQTVTMBCFC-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824634729 608482288 /nfs/dbraw/zinc/48/22/88/608482288.db2.gz XMXAYQTVTMBCFC-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470278 608505403 /nfs/dbraw/zinc/50/54/03/608505403.db2.gz KTKWRCMQEFLMAC-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM O=C(c1cc([N+](=O)[O-])ccc1F)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470278 608505405 /nfs/dbraw/zinc/50/54/05/608505405.db2.gz KTKWRCMQEFLMAC-UHFFFAOYSA-N -1 3 394.366 2.844 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826263971 608765018 /nfs/dbraw/zinc/76/50/18/608765018.db2.gz XSHXOEGTNDPBRK-UHFFFAOYSA-N -1 3 384.371 2.769 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826263971 608765022 /nfs/dbraw/zinc/76/50/22/608765022.db2.gz XSHXOEGTNDPBRK-UHFFFAOYSA-N -1 3 384.371 2.769 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826417500 609340435 /nfs/dbraw/zinc/34/04/35/609340435.db2.gz SVCWISDQLPZKGR-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826278618 609381875 /nfs/dbraw/zinc/38/18/75/609381875.db2.gz LRMPVDNCONEEIX-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826278618 609381878 /nfs/dbraw/zinc/38/18/78/609381878.db2.gz LRMPVDNCONEEIX-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1cccs1 ZINC000030331733 654585255 /nfs/dbraw/zinc/58/52/55/654585255.db2.gz WBAUPJGRAZARKE-GFCCVEGCSA-N -1 3 384.435 2.547 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124528409 654777540 /nfs/dbraw/zinc/77/75/40/654777540.db2.gz WXNMVZQJBPBKRK-OAHLLOKOSA-N -1 3 383.857 2.829 20 5 GFBDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000128855475 654853054 /nfs/dbraw/zinc/85/30/54/654853054.db2.gz XUDFRVRIFSKBGP-SECBINFHSA-N -1 3 384.376 2.689 20 5 GFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000151545763 655052465 /nfs/dbraw/zinc/05/24/65/655052465.db2.gz VEDIFMQEPZGZSE-UHFFFAOYSA-N -1 3 396.153 2.901 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1 ZINC000152269805 655057742 /nfs/dbraw/zinc/05/77/42/655057742.db2.gz SRAQGYVUJTXGFQ-VIFPVBQESA-N -1 3 381.273 2.531 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cs1 ZINC000272215019 655106103 /nfs/dbraw/zinc/10/61/03/655106103.db2.gz MKMCCZCAYRRSFE-SECBINFHSA-N -1 3 389.430 2.685 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000113943678 655216188 /nfs/dbraw/zinc/21/61/88/655216188.db2.gz NEMKKDLTXJWIPV-HNNXBMFYSA-N -1 3 383.857 2.829 20 5 GFBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000739979648 655696001 /nfs/dbraw/zinc/69/60/01/655696001.db2.gz IXIQYPDZVRQESG-UHFFFAOYSA-N -1 3 384.845 2.732 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000751485617 655829729 /nfs/dbraw/zinc/82/97/29/655829729.db2.gz IDEYPRUEEZIVBR-BJOHPYRUSA-N -1 3 388.804 2.788 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)c(Cl)c1 ZINC000762519806 656045375 /nfs/dbraw/zinc/04/53/75/656045375.db2.gz CXKPBDLMGOLTFK-WZRBSPASSA-N -1 3 394.927 2.906 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C23CCC(CC2)C3)c1 ZINC000784416078 657307576 /nfs/dbraw/zinc/30/75/76/657307576.db2.gz CWSRKJSSWIXKFN-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CN1C1CC1 ZINC000791421714 658095046 /nfs/dbraw/zinc/09/50/46/658095046.db2.gz CJBYARFHGMVGFK-IUCAKERBSA-N -1 3 394.280 2.805 20 5 GFBDHM Cc1ccc([C@H](O)[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796105320 658892293 /nfs/dbraw/zinc/89/22/93/658892293.db2.gz QKGPDOSONFCIKE-BDJLRTHQSA-N -1 3 384.841 2.957 20 5 GFBDHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825600 659944344 /nfs/dbraw/zinc/94/43/44/659944344.db2.gz JNRBSPGZICIXQJ-PRHODGIISA-N -1 3 394.280 2.663 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1(F)F ZINC000849461425 661730286 /nfs/dbraw/zinc/73/02/86/661730286.db2.gz YRWQDAHDPHFSLM-SNVBAGLBSA-N -1 3 385.186 2.681 20 5 GFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1(F)F ZINC000851819827 661834524 /nfs/dbraw/zinc/83/45/24/661834524.db2.gz JMSANNOICQZUIZ-JTQLQIEISA-N -1 3 399.213 2.927 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC000921716817 664563731 /nfs/dbraw/zinc/56/37/31/664563731.db2.gz OAVJDOUQDUMXSO-RKDXNWHRSA-N -1 3 395.300 2.920 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSc1ccc(C)cc1 ZINC000042986257 551140218 /nfs/dbraw/zinc/14/02/18/551140218.db2.gz PQNVZMRTORWQME-UHFFFAOYSA-N -1 3 382.463 2.982 20 5 GFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000156266161 551518611 /nfs/dbraw/zinc/51/86/11/551518611.db2.gz HEYLYLWUKXNMGO-SNVBAGLBSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163310296 551618458 /nfs/dbraw/zinc/61/84/58/551618458.db2.gz FXGLSTFIXKVKHW-UHFFFAOYSA-N -1 3 381.357 2.857 20 5 GFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000170873895 551641879 /nfs/dbraw/zinc/64/18/79/551641879.db2.gz SVVFVJUULBYWED-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185583588 552367027 /nfs/dbraw/zinc/36/70/27/552367027.db2.gz ZWVODVYOZKCRNB-SNVBAGLBSA-N -1 3 378.435 2.947 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000420710652 563278053 /nfs/dbraw/zinc/27/80/53/563278053.db2.gz WEFNEFGQMZJQDM-SNVBAGLBSA-N -1 3 390.458 2.554 20 5 GFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000374447785 563372748 /nfs/dbraw/zinc/37/27/48/563372748.db2.gz CBAMTIZSACEBLL-UHFFFAOYSA-N -1 3 384.410 2.827 20 5 GFBDHM Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1[N+](=O)[O-] ZINC000430153816 563536811 /nfs/dbraw/zinc/53/68/11/563536811.db2.gz WJBHISKCVMNYKT-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457191 563831495 /nfs/dbraw/zinc/83/14/95/563831495.db2.gz XBPOKOHQYIHVCK-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457194 563831514 /nfs/dbraw/zinc/83/15/14/563831514.db2.gz XBPOKOHQYIHVCK-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000416456122 563831673 /nfs/dbraw/zinc/83/16/73/563831673.db2.gz LRYXIHHDQFMJNG-CABZTGNLSA-N -1 3 382.360 2.850 20 5 GFBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416467574 563832736 /nfs/dbraw/zinc/83/27/36/563832736.db2.gz CDUWLPAPGTXDSP-UHFFFAOYSA-N -1 3 384.376 2.833 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691772 564321986 /nfs/dbraw/zinc/32/19/86/564321986.db2.gz USMKSXZKDKMIQN-GFCCVEGCSA-N -1 3 392.767 2.538 20 5 GFBDHM Cn1c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000476205193 564330330 /nfs/dbraw/zinc/33/03/30/564330330.db2.gz ZLFUNNJVFJLNFX-UHFFFAOYSA-N -1 3 380.813 2.613 20 5 GFBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000451617230 564331995 /nfs/dbraw/zinc/33/19/95/564331995.db2.gz TWLFWQPVHGUYRL-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451680754 564339059 /nfs/dbraw/zinc/33/90/59/564339059.db2.gz MSUBZZVFIBRKDA-SKDRFNHKSA-N -1 3 395.275 2.697 20 5 GFBDHM C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476620973 564348469 /nfs/dbraw/zinc/34/84/69/564348469.db2.gz XNZWDRRUMSUQOV-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1)OCCO2 ZINC000476934634 564359282 /nfs/dbraw/zinc/35/92/82/564359282.db2.gz RJJOPEHTTSGAIW-UHFFFAOYSA-N -1 3 390.826 2.559 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000544597291 564389857 /nfs/dbraw/zinc/38/98/57/564389857.db2.gz ZCKIHSWEFCRGOK-LBPRGKRZSA-N -1 3 388.804 2.708 20 5 GFBDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000478773367 564414806 /nfs/dbraw/zinc/41/48/06/564414806.db2.gz PZPGMPKNSIZXNV-AWEZNQCLSA-N -1 3 378.472 2.611 20 5 GFBDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000569070769 564447363 /nfs/dbraw/zinc/44/73/63/564447363.db2.gz UHBXIANPWVSUMV-HSZRJFAPSA-N -1 3 388.854 2.928 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000480896149 564494719 /nfs/dbraw/zinc/49/47/19/564494719.db2.gz JGBCVGXMUNZHOA-BDJLRTHQSA-N -1 3 383.495 2.934 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000518658880 564559472 /nfs/dbraw/zinc/55/94/72/564559472.db2.gz ZERAGMALEPVPRU-NEPJUHHUSA-N -1 3 375.878 2.789 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000520134189 564597933 /nfs/dbraw/zinc/59/79/33/564597933.db2.gz JXIDMODHGLSXMG-GFCCVEGCSA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521296841 564623818 /nfs/dbraw/zinc/62/38/18/564623818.db2.gz SDPYHIJLYTVQPR-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nnc(C(C)C)s2)c1C ZINC000490453102 564772569 /nfs/dbraw/zinc/77/25/69/564772569.db2.gz ILSCPSMHGAUALD-UHFFFAOYSA-N -1 3 384.483 2.708 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000491590367 564793548 /nfs/dbraw/zinc/79/35/48/564793548.db2.gz ZJQUDGKRIRUYLG-ZJUUUORDSA-N -1 3 378.447 2.695 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461798991 564805773 /nfs/dbraw/zinc/80/57/73/564805773.db2.gz WAXFIPURBSOWEO-GFCCVEGCSA-N -1 3 376.862 2.715 20 5 GFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000557822802 564878676 /nfs/dbraw/zinc/87/86/76/564878676.db2.gz LAJPLDOCVVESEB-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM O=C(Cn1cc([N+](=O)[O-])cn1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000531514138 564912119 /nfs/dbraw/zinc/91/21/19/564912119.db2.gz WZTNQFUURAJHKA-UHFFFAOYSA-N -1 3 381.179 2.549 20 5 GFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000501457547 564980382 /nfs/dbraw/zinc/98/03/82/564980382.db2.gz XGLMXVBRAIHYAB-ZYHUDNBSSA-N -1 3 384.788 2.995 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000534411427 564988159 /nfs/dbraw/zinc/98/81/59/564988159.db2.gz RSOWFEBZIKOWPA-RYUDHWBXSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(F)F ZINC000592067585 565251319 /nfs/dbraw/zinc/25/13/19/565251319.db2.gz JWEFALYMMJRMNY-SSDOTTSWSA-N -1 3 387.202 2.927 20 5 GFBDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082511 565254541 /nfs/dbraw/zinc/25/45/41/565254541.db2.gz IRLSKLZAIKRQEQ-UWVGGRQHSA-N -1 3 384.376 2.689 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488676 565395766 /nfs/dbraw/zinc/39/57/66/565395766.db2.gz UDRXNRCHFSXPRR-ZWNOBZJWSA-N -1 3 382.360 2.682 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594819074 565424889 /nfs/dbraw/zinc/42/48/89/565424889.db2.gz NSTYCQQNNKKUAG-CYBMUJFWSA-N -1 3 382.360 2.763 20 5 GFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC000594850295 565428957 /nfs/dbraw/zinc/42/89/57/565428957.db2.gz DIKYWLLXDNCFJK-MWLCHTKSSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000594852844 565430543 /nfs/dbraw/zinc/43/05/43/565430543.db2.gz UATOBJFDIYAQDM-MWLCHTKSSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCN(CC2CC2)C1 ZINC000595409255 565474388 /nfs/dbraw/zinc/47/43/88/565474388.db2.gz CPXXTWYPADNDSV-CYBMUJFWSA-N -1 3 387.889 2.649 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])s1 ZINC000603844870 565917311 /nfs/dbraw/zinc/91/73/11/565917311.db2.gz BAVJDPKSYMSZRQ-UHFFFAOYSA-N -1 3 378.435 2.725 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1 ZINC000610785460 566098773 /nfs/dbraw/zinc/09/87/73/566098773.db2.gz VQZWDSXCGBLLBM-MRVPVSSYSA-N -1 3 385.186 2.823 20 5 GFBDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611021849 566111453 /nfs/dbraw/zinc/11/14/53/566111453.db2.gz KDFRJWCDVHUQSQ-XHDPSFHLSA-N -1 3 384.841 2.691 20 5 GFBDHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613475646 566199326 /nfs/dbraw/zinc/19/93/26/566199326.db2.gz QOUJKDRGZLWKDC-UHFFFAOYSA-N -1 3 386.451 2.721 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000738294835 598856078 /nfs/dbraw/zinc/85/60/78/598856078.db2.gz FNVDUOONTKXKKB-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000738294835 598856079 /nfs/dbraw/zinc/85/60/79/598856079.db2.gz FNVDUOONTKXKKB-AWEZNQCLSA-N -1 3 399.798 2.646 20 5 GFBDHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737315552 598888781 /nfs/dbraw/zinc/88/87/81/598888781.db2.gz NZGRWUNTIUGLFP-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737315552 598888783 /nfs/dbraw/zinc/88/87/83/598888783.db2.gz NZGRWUNTIUGLFP-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369823 598972462 /nfs/dbraw/zinc/97/24/62/598972462.db2.gz PMLBGLMWVKZESS-PELKAZGASA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738369823 598972464 /nfs/dbraw/zinc/97/24/64/598972464.db2.gz PMLBGLMWVKZESS-PELKAZGASA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000738369335 599040404 /nfs/dbraw/zinc/04/04/04/599040404.db2.gz LDSVWMUPIUWBSR-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1ccccc1NCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000738369335 599040407 /nfs/dbraw/zinc/04/04/07/599040407.db2.gz LDSVWMUPIUWBSR-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM CCOC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821319864 599050400 /nfs/dbraw/zinc/05/04/00/599050400.db2.gz IMHIPAYMGMHORE-AWEZNQCLSA-N -1 3 382.380 2.534 20 5 GFBDHM CCOC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821319864 599050402 /nfs/dbraw/zinc/05/04/02/599050402.db2.gz IMHIPAYMGMHORE-AWEZNQCLSA-N -1 3 382.380 2.534 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820280713 599064186 /nfs/dbraw/zinc/06/41/86/599064186.db2.gz NENDBRLOCYALKX-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820280713 599064188 /nfs/dbraw/zinc/06/41/88/599064188.db2.gz NENDBRLOCYALKX-SECBINFHSA-N -1 3 375.776 2.703 20 5 GFBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738268715 599118210 /nfs/dbraw/zinc/11/82/10/599118210.db2.gz NMBQMMYYPSHZCB-KRWDZBQOSA-N -1 3 382.405 2.663 20 5 GFBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738268715 599118211 /nfs/dbraw/zinc/11/82/11/599118211.db2.gz NMBQMMYYPSHZCB-KRWDZBQOSA-N -1 3 382.405 2.663 20 5 GFBDHM CCc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736690964 599156856 /nfs/dbraw/zinc/15/68/56/599156856.db2.gz MEZGHRKFITUYAK-LLVKDONJSA-N -1 3 383.364 2.710 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823646769 599186674 /nfs/dbraw/zinc/18/66/74/599186674.db2.gz AEFCKYUAXIESBW-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccccc1N1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823646769 599186677 /nfs/dbraw/zinc/18/66/77/599186677.db2.gz AEFCKYUAXIESBW-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM COC(=O)N(C)Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736932472 599231635 /nfs/dbraw/zinc/23/16/35/599231635.db2.gz MBCKROFNANWLPU-UHFFFAOYSA-N -1 3 383.368 2.717 20 5 GFBDHM COC(=O)N(C)Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736932472 599231636 /nfs/dbraw/zinc/23/16/36/599231636.db2.gz MBCKROFNANWLPU-UHFFFAOYSA-N -1 3 383.368 2.717 20 5 GFBDHM Cc1csc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000737452446 599268487 /nfs/dbraw/zinc/26/84/87/599268487.db2.gz KGUXMHPGGDDTSD-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM Cc1csc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000737452446 599268489 /nfs/dbraw/zinc/26/84/89/599268489.db2.gz KGUXMHPGGDDTSD-UHFFFAOYSA-N -1 3 382.409 2.743 20 5 GFBDHM COc1cccc(N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737140538 598354014 /nfs/dbraw/zinc/35/40/14/598354014.db2.gz QBXORMJVDWFKCT-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM COc1cccc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737140538 598354016 /nfs/dbraw/zinc/35/40/16/598354016.db2.gz QBXORMJVDWFKCT-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM CCOc1ccc2[nH]c(Sc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)nc2c1 ZINC000736651874 598497121 /nfs/dbraw/zinc/49/71/21/598497121.db2.gz QUWRIFHNSDGQSG-UHFFFAOYSA-N -1 3 384.381 2.596 20 5 GFBDHM CCOc1ccc2[nH]c(Sc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)nc2c1 ZINC000736651874 598497123 /nfs/dbraw/zinc/49/71/23/598497123.db2.gz QUWRIFHNSDGQSG-UHFFFAOYSA-N -1 3 384.381 2.596 20 5 GFBDHM COc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737088019 598537477 /nfs/dbraw/zinc/53/74/77/598537477.db2.gz PPMBHOWHNNCUOG-NSHDSACASA-N -1 3 383.364 2.630 20 5 GFBDHM COc1ccc(CC(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737088019 598537479 /nfs/dbraw/zinc/53/74/79/598537479.db2.gz PPMBHOWHNNCUOG-NSHDSACASA-N -1 3 383.364 2.630 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736300201 598735581 /nfs/dbraw/zinc/73/55/81/598735581.db2.gz VQNVCRZGMKIRKP-PWWFUAJNSA-N -1 3 376.376 2.766 20 5 GFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736300201 598735582 /nfs/dbraw/zinc/73/55/82/598735582.db2.gz VQNVCRZGMKIRKP-PWWFUAJNSA-N -1 3 376.376 2.766 20 5 GFBDHM COc1cc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000821720281 599477905 /nfs/dbraw/zinc/47/79/05/599477905.db2.gz QEVPUCQUOKWVQV-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM COc1cc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000821720281 599477906 /nfs/dbraw/zinc/47/79/06/599477906.db2.gz QEVPUCQUOKWVQV-UHFFFAOYSA-N -1 3 395.423 2.500 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738237217 599500897 /nfs/dbraw/zinc/50/08/97/599500897.db2.gz ZERMANZDGXZCOL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738237217 599500900 /nfs/dbraw/zinc/50/09/00/599500900.db2.gz ZERMANZDGXZCOL-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCCOc1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000821134464 607384603 /nfs/dbraw/zinc/38/46/03/607384603.db2.gz WFHABVRVRBDGHI-UHFFFAOYSA-N -1 3 381.396 2.521 20 5 GFBDHM CCCOc1ccc2c(c1)CCN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000821134464 607384605 /nfs/dbraw/zinc/38/46/05/607384605.db2.gz WFHABVRVRBDGHI-UHFFFAOYSA-N -1 3 381.396 2.521 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271111 599623979 /nfs/dbraw/zinc/62/39/79/599623979.db2.gz MVPGZFTWOAHYDT-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271111 599623980 /nfs/dbraw/zinc/62/39/80/599623980.db2.gz MVPGZFTWOAHYDT-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826421082 607419328 /nfs/dbraw/zinc/41/93/28/607419328.db2.gz QZLRGHAJTFOHDV-UHFFFAOYSA-N -1 3 396.432 2.673 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826421082 607419330 /nfs/dbraw/zinc/41/93/30/607419330.db2.gz QZLRGHAJTFOHDV-UHFFFAOYSA-N -1 3 396.432 2.673 20 5 GFBDHM CCc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000825744578 607524372 /nfs/dbraw/zinc/52/43/72/607524372.db2.gz DAYNAPLACQIMNK-UHFFFAOYSA-N -1 3 393.816 2.628 20 5 GFBDHM CCc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cs1 ZINC000825744578 607524373 /nfs/dbraw/zinc/52/43/73/607524373.db2.gz DAYNAPLACQIMNK-UHFFFAOYSA-N -1 3 393.816 2.628 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821845504 606589156 /nfs/dbraw/zinc/58/91/56/606589156.db2.gz HHGRPXCGJPKYBE-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821845504 606589157 /nfs/dbraw/zinc/58/91/57/606589157.db2.gz HHGRPXCGJPKYBE-UHFFFAOYSA-N -1 3 393.306 2.964 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822271050 606721892 /nfs/dbraw/zinc/72/18/92/606721892.db2.gz KJTORNCZRGFDKH-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822271050 606721893 /nfs/dbraw/zinc/72/18/93/606721893.db2.gz KJTORNCZRGFDKH-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM CCOCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821383764 606724486 /nfs/dbraw/zinc/72/44/86/606724486.db2.gz IYZVFPYCBHASNZ-UHFFFAOYSA-N -1 3 399.411 2.506 20 5 GFBDHM CCOCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821383764 606724487 /nfs/dbraw/zinc/72/44/87/606724487.db2.gz IYZVFPYCBHASNZ-UHFFFAOYSA-N -1 3 399.411 2.506 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820461522 606725498 /nfs/dbraw/zinc/72/54/98/606725498.db2.gz LGVYTIZJDPWWAY-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820461522 606725499 /nfs/dbraw/zinc/72/54/99/606725499.db2.gz LGVYTIZJDPWWAY-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823635502 606788012 /nfs/dbraw/zinc/78/80/12/606788012.db2.gz YPFLRHFBAHNXQA-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823635502 606788013 /nfs/dbraw/zinc/78/80/13/606788013.db2.gz YPFLRHFBAHNXQA-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823488984 606811866 /nfs/dbraw/zinc/81/18/66/606811866.db2.gz ZVVAQMLZRMFGCU-UHFFFAOYSA-N -1 3 391.347 2.610 20 5 GFBDHM O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823488984 606811868 /nfs/dbraw/zinc/81/18/68/606811868.db2.gz ZVVAQMLZRMFGCU-UHFFFAOYSA-N -1 3 391.347 2.610 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821984364 606992033 /nfs/dbraw/zinc/99/20/33/606992033.db2.gz ORNDTCGBNOKFOX-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821984364 606992034 /nfs/dbraw/zinc/99/20/34/606992034.db2.gz ORNDTCGBNOKFOX-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CN(Cc1cccc(OC(F)(F)F)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821614559 607118639 /nfs/dbraw/zinc/11/86/39/607118639.db2.gz KVHRQUGCXTVWFG-UHFFFAOYSA-N -1 3 395.301 2.705 20 5 GFBDHM CN(Cc1cccc(OC(F)(F)F)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821614559 607118640 /nfs/dbraw/zinc/11/86/40/607118640.db2.gz KVHRQUGCXTVWFG-UHFFFAOYSA-N -1 3 395.301 2.705 20 5 GFBDHM Cc1cccc([C@H](O)CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822289338 607127739 /nfs/dbraw/zinc/12/77/39/607127739.db2.gz WCPACHYORMMOHH-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1cccc([C@H](O)CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822289338 607127741 /nfs/dbraw/zinc/12/77/41/607127741.db2.gz WCPACHYORMMOHH-QGZVFWFLSA-N -1 3 391.391 2.777 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOC4(CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645914 607133771 /nfs/dbraw/zinc/13/37/71/607133771.db2.gz VSLRSCLJZPPESE-NSHDSACASA-N -1 3 381.396 2.837 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOC4(CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645914 607133773 /nfs/dbraw/zinc/13/37/73/607133773.db2.gz VSLRSCLJZPPESE-NSHDSACASA-N -1 3 381.396 2.837 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822271250 607164808 /nfs/dbraw/zinc/16/48/08/607164808.db2.gz SVPVHLPGQMFLNK-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822271250 607164809 /nfs/dbraw/zinc/16/48/09/607164809.db2.gz SVPVHLPGQMFLNK-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)c1 ZINC000823647212 607175794 /nfs/dbraw/zinc/17/57/94/607175794.db2.gz HZGXTDYCJTXMEB-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=[N+]([O-])c1cccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)c1 ZINC000823647212 607175795 /nfs/dbraw/zinc/17/57/95/607175795.db2.gz HZGXTDYCJTXMEB-UHFFFAOYSA-N -1 3 381.352 2.852 20 5 GFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823073795 607193435 /nfs/dbraw/zinc/19/34/35/607193435.db2.gz DAEWVNUDVQKLSK-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823073795 607193436 /nfs/dbraw/zinc/19/34/36/607193436.db2.gz DAEWVNUDVQKLSK-UHFFFAOYSA-N -1 3 378.392 2.509 20 5 GFBDHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000824059413 607947433 /nfs/dbraw/zinc/94/74/33/607947433.db2.gz UCJNOKSCZWJATG-UHFFFAOYSA-N -1 3 378.392 2.642 20 5 GFBDHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000824059413 607947434 /nfs/dbraw/zinc/94/74/34/607947434.db2.gz UCJNOKSCZWJATG-UHFFFAOYSA-N -1 3 378.392 2.642 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCN1c1ccccc1F ZINC000826477951 608053559 /nfs/dbraw/zinc/05/35/59/608053559.db2.gz QCGJWBWSRMOZNT-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCN1c1ccccc1F ZINC000826477951 608053560 /nfs/dbraw/zinc/05/35/60/608053560.db2.gz QCGJWBWSRMOZNT-HNNXBMFYSA-N -1 3 397.370 2.522 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000826162774 608136528 /nfs/dbraw/zinc/13/65/28/608136528.db2.gz RMWXBQUDTGDROF-UHFFFAOYSA-N -1 3 388.359 2.551 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000826162774 608136529 /nfs/dbraw/zinc/13/65/29/608136529.db2.gz RMWXBQUDTGDROF-UHFFFAOYSA-N -1 3 388.359 2.551 20 5 GFBDHM Cc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826325203 608161538 /nfs/dbraw/zinc/16/15/38/608161538.db2.gz QOPFMBGFCRLQPH-UHFFFAOYSA-N -1 3 393.816 2.683 20 5 GFBDHM Cc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826325203 608161540 /nfs/dbraw/zinc/16/15/40/608161540.db2.gz QOPFMBGFCRLQPH-UHFFFAOYSA-N -1 3 393.816 2.683 20 5 GFBDHM Cc1nc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826324186 608161552 /nfs/dbraw/zinc/16/15/52/608161552.db2.gz HWBRJXYTXUXCHB-UHFFFAOYSA-N -1 3 379.789 2.754 20 5 GFBDHM Cc1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826324186 608161553 /nfs/dbraw/zinc/16/15/53/608161553.db2.gz HWBRJXYTXUXCHB-UHFFFAOYSA-N -1 3 379.789 2.754 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000826500934 608234629 /nfs/dbraw/zinc/23/46/29/608234629.db2.gz SAEQFSHTMMVROA-INIZCTEOSA-N -1 3 392.354 2.906 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000826500934 608234630 /nfs/dbraw/zinc/23/46/30/608234630.db2.gz SAEQFSHTMMVROA-INIZCTEOSA-N -1 3 392.354 2.906 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826272830 608337029 /nfs/dbraw/zinc/33/70/29/608337029.db2.gz DEGJOVWHFKHWQV-SREVYHEPSA-N -1 3 376.376 2.686 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826272830 608337030 /nfs/dbraw/zinc/33/70/30/608337030.db2.gz DEGJOVWHFKHWQV-SREVYHEPSA-N -1 3 376.376 2.686 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)cc1 ZINC000826498219 608533030 /nfs/dbraw/zinc/53/30/30/608533030.db2.gz LQPQNYBYKDRKAI-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM O=[N+]([O-])c1ccc(CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C2CC2)cc1 ZINC000826498219 608533032 /nfs/dbraw/zinc/53/30/32/608533032.db2.gz LQPQNYBYKDRKAI-UHFFFAOYSA-N -1 3 390.407 2.587 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nnn[n-]2)c1 ZINC000826500508 609172819 /nfs/dbraw/zinc/17/28/19/609172819.db2.gz AJHMOKZLRNQBJR-HNNXBMFYSA-N -1 3 395.427 2.971 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2nn[n-]n2)c1 ZINC000826500508 609172821 /nfs/dbraw/zinc/17/28/21/609172821.db2.gz AJHMOKZLRNQBJR-HNNXBMFYSA-N -1 3 395.427 2.971 20 5 GFBDHM Cc1cnc(OCc2ccc(-c3nnn[n-]3)cc2Br)c([N+](=O)[O-])c1 ZINC000826318969 609311384 /nfs/dbraw/zinc/31/13/84/609311384.db2.gz IRUJSFUKLVGIBX-UHFFFAOYSA-N -1 3 391.185 2.820 20 5 GFBDHM Cc1cnc(OCc2ccc(-c3nn[n-]n3)cc2Br)c([N+](=O)[O-])c1 ZINC000826318969 609311386 /nfs/dbraw/zinc/31/13/86/609311386.db2.gz IRUJSFUKLVGIBX-UHFFFAOYSA-N -1 3 391.185 2.820 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826498958 609321709 /nfs/dbraw/zinc/32/17/09/609321709.db2.gz PVEDFQXGIURQTR-UHFFFAOYSA-N -1 3 389.759 2.991 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826498958 609321711 /nfs/dbraw/zinc/32/17/11/609321711.db2.gz PVEDFQXGIURQTR-UHFFFAOYSA-N -1 3 389.759 2.991 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000826497682 609321832 /nfs/dbraw/zinc/32/18/32/609321832.db2.gz PURHTRDRILKGRR-UHFFFAOYSA-N -1 3 385.815 2.967 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000826497682 609321834 /nfs/dbraw/zinc/32/18/34/609321834.db2.gz PURHTRDRILKGRR-UHFFFAOYSA-N -1 3 385.815 2.967 20 5 GFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826439364 609336883 /nfs/dbraw/zinc/33/68/83/609336883.db2.gz RJQSUJDNHDVRIK-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826439364 609336885 /nfs/dbraw/zinc/33/68/85/609336885.db2.gz RJQSUJDNHDVRIK-UHFFFAOYSA-N -1 3 387.787 2.793 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826420874 609509028 /nfs/dbraw/zinc/50/90/28/609509028.db2.gz HAEZYVBAFLFFMY-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826420874 609509029 /nfs/dbraw/zinc/50/90/29/609509029.db2.gz HAEZYVBAFLFFMY-UHFFFAOYSA-N -1 3 375.341 2.612 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)c1Cl ZINC000830435456 660656798 /nfs/dbraw/zinc/65/67/98/660656798.db2.gz TZNIHETXSWPZMU-JTQLQIEISA-N -1 3 394.280 2.664 20 5 GFBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830854930 660683332 /nfs/dbraw/zinc/68/33/32/660683332.db2.gz JJUFOSGDRCYKPP-KWQFWETISA-N -1 3 394.280 2.663 20 5 GFBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000011810751 654498732 /nfs/dbraw/zinc/49/87/32/654498732.db2.gz IYEHHFMWIYHUBM-UHFFFAOYSA-N -1 3 384.175 2.976 20 5 GFBDHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(N)c([N+](=O)[O-])c1 ZINC000151575977 655052724 /nfs/dbraw/zinc/05/27/24/655052724.db2.gz WIDMIVRRVKHYLR-UHFFFAOYSA-N -1 3 380.198 2.884 20 5 GFBDHM CSC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173239108 655165528 /nfs/dbraw/zinc/16/55/28/655165528.db2.gz YSSOSZIAJBXLCV-UHFFFAOYSA-N -1 3 383.289 2.777 20 5 GFBDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000574242274 655427021 /nfs/dbraw/zinc/42/70/21/655427021.db2.gz BSBAPDHCSLQLRI-ZDUSSCGKSA-N -1 3 382.825 2.839 20 5 GFBDHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274990 655713494 /nfs/dbraw/zinc/71/34/94/655713494.db2.gz JKOSDBBODMJJLZ-SECBINFHSA-N -1 3 389.227 2.860 20 5 GFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000759169148 655949862 /nfs/dbraw/zinc/94/98/62/655949862.db2.gz ZHCYXUCHEVAQOM-UHFFFAOYSA-N -1 3 394.356 2.907 20 5 GFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000760793988 655991874 /nfs/dbraw/zinc/99/18/74/655991874.db2.gz RUXNRFLWNODRFW-UHFFFAOYSA-N -1 3 382.781 2.732 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)ccc1Br ZINC000765202528 656136743 /nfs/dbraw/zinc/13/67/43/656136743.db2.gz IETSQDSYHPHJCS-SSDOTTSWSA-N -1 3 385.186 2.823 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1F ZINC000788217702 657674052 /nfs/dbraw/zinc/67/40/52/657674052.db2.gz UJVSPOASBVNZRW-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM CCSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000800152695 659278171 /nfs/dbraw/zinc/27/81/71/659278171.db2.gz ZCNYGKJXTLANRM-UHFFFAOYSA-N -1 3 383.289 2.779 20 5 GFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC000809395114 659926767 /nfs/dbraw/zinc/92/67/67/659926767.db2.gz HXRQFQJKDGUNQU-DTWKUNHWSA-N -1 3 394.280 2.805 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072003969 211068134 /nfs/dbraw/zinc/06/81/34/211068134.db2.gz QJLDVOUHYCHCRL-INIZCTEOSA-N -1 3 395.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000121564977 551237036 /nfs/dbraw/zinc/23/70/36/551237036.db2.gz KRJGDLBXCOFBOS-UHFFFAOYSA-N -1 3 385.320 2.688 20 5 GFBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000156531828 551524503 /nfs/dbraw/zinc/52/45/03/551524503.db2.gz MUCJEGXGRRIGGG-HNNXBMFYSA-N -1 3 384.841 2.823 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157848955 551543218 /nfs/dbraw/zinc/54/32/18/551543218.db2.gz ADCDWSGIRGXBQN-VXGBXAGGSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000173374418 552084372 /nfs/dbraw/zinc/08/43/72/552084372.db2.gz SVBNKHHXGHQGBC-HNNXBMFYSA-N -1 3 385.467 2.972 20 5 GFBDHM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000194272508 553016463 /nfs/dbraw/zinc/01/64/63/553016463.db2.gz JITXXDKZCKTCEY-UHFFFAOYSA-N -1 3 383.451 2.985 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000195116385 553038848 /nfs/dbraw/zinc/03/88/48/553038848.db2.gz PKQJLKXADVZEEK-UHFFFAOYSA-N -1 3 381.479 2.760 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c1Cl ZINC000295659587 563256603 /nfs/dbraw/zinc/25/66/03/563256603.db2.gz AIJJLAPLIAUXEX-UHFFFAOYSA-N -1 3 394.280 2.807 20 5 GFBDHM CCc1ccccc1[C@H](N)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420470837 563265293 /nfs/dbraw/zinc/26/52/93/563265293.db2.gz XWNYIJSGWMRSSU-CQSZACIVSA-N -1 3 383.857 2.789 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282786922 563424555 /nfs/dbraw/zinc/42/45/55/563424555.db2.gz PWAGHCMMMIEZGB-GFCCVEGCSA-N -1 3 384.845 2.646 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429910630 563528928 /nfs/dbraw/zinc/52/89/28/563528928.db2.gz STDXFCJCQAQGEH-UHFFFAOYSA-N -1 3 378.303 2.938 20 5 GFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000290029204 563695056 /nfs/dbraw/zinc/69/50/56/563695056.db2.gz YVSHZMCPKKSQGL-HNNXBMFYSA-N -1 3 384.479 2.836 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000443159598 563793882 /nfs/dbraw/zinc/79/38/82/563793882.db2.gz UTPOMTNBZWOFHO-UHFFFAOYSA-N -1 3 376.312 2.798 20 5 GFBDHM COC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000416489755 563837925 /nfs/dbraw/zinc/83/79/25/563837925.db2.gz RFHYZZFXMAJKOY-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030432 563872657 /nfs/dbraw/zinc/87/26/57/563872657.db2.gz UVVAUOUDJABNFJ-RYUDHWBXSA-N -1 3 382.360 2.705 20 5 GFBDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028642 563872763 /nfs/dbraw/zinc/87/27/63/563872763.db2.gz IVIQJESPGQBWKI-KOLCDFICSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000563542389 564196403 /nfs/dbraw/zinc/19/64/03/564196403.db2.gz XFEIYWBNLIXRNP-UHFFFAOYSA-N -1 3 375.328 2.530 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000451613104 564331372 /nfs/dbraw/zinc/33/13/72/564331372.db2.gz MKIBVEUHLQQCNY-NSHDSACASA-N -1 3 380.447 2.771 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CCCC1 ZINC000480759193 564486495 /nfs/dbraw/zinc/48/64/95/564486495.db2.gz UFAWYCKZGNXJAQ-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2cn[nH]c21 ZINC000481074962 564502603 /nfs/dbraw/zinc/50/26/03/564502603.db2.gz PBFBKQAHBBZANP-SNVBAGLBSA-N -1 3 391.236 2.981 20 5 GFBDHM O=C(N=c1[nH][n-]cc1Br)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519725689 564588448 /nfs/dbraw/zinc/58/84/48/564588448.db2.gz QPVRZLCIZGGKHJ-UHFFFAOYSA-N -1 3 394.210 2.878 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000549915654 564608751 /nfs/dbraw/zinc/60/87/51/564608751.db2.gz URQSOWFVOWDZOJ-GFCCVEGCSA-N -1 3 376.862 2.715 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000520894891 564615897 /nfs/dbraw/zinc/61/58/97/564615897.db2.gz VHVJPCLNPKGOQE-JTQLQIEISA-N -1 3 375.244 2.992 20 5 GFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490339961 564769171 /nfs/dbraw/zinc/76/91/71/564769171.db2.gz VXIUKBJEDYJQBL-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000581668167 564813745 /nfs/dbraw/zinc/81/37/45/564813745.db2.gz BYJYXKMDJDBHRO-LLVKDONJSA-N -1 3 381.230 2.720 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC=C(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000494424173 564829774 /nfs/dbraw/zinc/82/97/74/564829774.db2.gz IBUAXZOCJQQMBX-UHFFFAOYSA-N -1 3 393.259 2.919 20 5 GFBDHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000465468534 564928259 /nfs/dbraw/zinc/92/82/59/564928259.db2.gz DBCMVGLKPVMDEE-UHFFFAOYSA-N -1 3 394.377 2.745 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466506492 564942113 /nfs/dbraw/zinc/94/21/13/564942113.db2.gz ULYRAUYVQUVLQH-UHFFFAOYSA-N -1 3 383.813 2.550 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000467042815 564954650 /nfs/dbraw/zinc/95/46/50/564954650.db2.gz CNTYQLVMJLHMDM-UHFFFAOYSA-N -1 3 376.843 2.975 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000501002537 564967475 /nfs/dbraw/zinc/96/74/75/564967475.db2.gz UNNCEHQUTMOWRT-CQSZACIVSA-N -1 3 382.825 2.844 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488673 565395445 /nfs/dbraw/zinc/39/54/45/565395445.db2.gz UDRXNRCHFSXPRR-GWCFXTLKSA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487955 565395909 /nfs/dbraw/zinc/39/59/09/565395909.db2.gz OYNHKEZVAZOGRK-WCQYABFASA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487953 565396102 /nfs/dbraw/zinc/39/61/02/565396102.db2.gz OYNHKEZVAZOGRK-AAEUAGOBSA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594489260 565397120 /nfs/dbraw/zinc/39/71/20/565397120.db2.gz NQHXKWRWFHUZGN-LLVKDONJSA-N -1 3 378.472 2.609 20 5 GFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000594850835 565429563 /nfs/dbraw/zinc/42/95/63/565429563.db2.gz GHSNVPOOJMDGNB-ONGXEEELSA-N -1 3 382.360 2.850 20 5 GFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000594850833 565429628 /nfs/dbraw/zinc/42/96/28/565429628.db2.gz GHSNVPOOJMDGNB-KOLCDFICSA-N -1 3 382.360 2.850 20 5 GFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc([N+](=O)[O-])cc1Br ZINC000599092915 565657054 /nfs/dbraw/zinc/65/70/54/565657054.db2.gz RNWLATLQWAPQCJ-UHFFFAOYSA-N -1 3 397.229 2.680 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461919 565681580 /nfs/dbraw/zinc/68/15/80/565681580.db2.gz XNQYRDKHUCPASB-LOKDSWTASA-N -1 3 382.360 2.704 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736095171 598830283 /nfs/dbraw/zinc/83/02/83/598830283.db2.gz CGHSMQFNTRYWGX-LBPRGKRZSA-N -1 3 380.408 2.930 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736095171 598830284 /nfs/dbraw/zinc/83/02/84/598830284.db2.gz CGHSMQFNTRYWGX-LBPRGKRZSA-N -1 3 380.408 2.930 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736188761 598859023 /nfs/dbraw/zinc/85/90/23/598859023.db2.gz PVDMPIVGMNCSEH-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736188761 598859024 /nfs/dbraw/zinc/85/90/24/598859024.db2.gz PVDMPIVGMNCSEH-SNVBAGLBSA-N -1 3 379.336 2.965 20 5 GFBDHM CCOc1ccc(NC(=O)CNc2cccc(-c3nnn[n-]3)c2C)c([N+](=O)[O-])c1 ZINC000821422297 607255648 /nfs/dbraw/zinc/25/56/48/607255648.db2.gz SGYOMSFUQOSFOJ-UHFFFAOYSA-N -1 3 397.395 2.533 20 5 GFBDHM CCOc1ccc(NC(=O)CNc2cccc(-c3nn[n-]n3)c2C)c([N+](=O)[O-])c1 ZINC000821422297 607255649 /nfs/dbraw/zinc/25/56/49/607255649.db2.gz SGYOMSFUQOSFOJ-UHFFFAOYSA-N -1 3 397.395 2.533 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](Cn1cccn1)c1ccccc1 ZINC000738357100 599044443 /nfs/dbraw/zinc/04/44/43/599044443.db2.gz BFSBGLQHLHMQND-INIZCTEOSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](Cn1cccn1)c1ccccc1 ZINC000738357100 599044446 /nfs/dbraw/zinc/04/44/46/599044446.db2.gz BFSBGLQHLHMQND-INIZCTEOSA-N -1 3 376.380 2.825 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371694 599044832 /nfs/dbraw/zinc/04/48/32/599044832.db2.gz WURKNLVVPLXBRR-ZDUSSCGKSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371694 599044835 /nfs/dbraw/zinc/04/48/35/599044835.db2.gz WURKNLVVPLXBRR-ZDUSSCGKSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H](O)c3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645970 599086512 /nfs/dbraw/zinc/08/65/12/599086512.db2.gz YKDCQKWWNRUNLV-KRWDZBQOSA-N -1 3 391.391 2.859 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H](O)c3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645970 599086514 /nfs/dbraw/zinc/08/65/14/599086514.db2.gz YKDCQKWWNRUNLV-KRWDZBQOSA-N -1 3 391.391 2.859 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823629789 599109449 /nfs/dbraw/zinc/10/94/49/599109449.db2.gz HDEJFSZOYKMKQZ-QAPCUYQASA-N -1 3 380.408 2.867 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823629789 599109452 /nfs/dbraw/zinc/10/94/52/599109452.db2.gz HDEJFSZOYKMKQZ-QAPCUYQASA-N -1 3 380.408 2.867 20 5 GFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736481132 599182174 /nfs/dbraw/zinc/18/21/74/599182174.db2.gz TZAIRPBJLJOASD-UHFFFAOYSA-N -1 3 380.408 2.756 20 5 GFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000736481132 599182177 /nfs/dbraw/zinc/18/21/77/599182177.db2.gz TZAIRPBJLJOASD-UHFFFAOYSA-N -1 3 380.408 2.756 20 5 GFBDHM CC(C)Oc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735912806 599205274 /nfs/dbraw/zinc/20/52/74/599205274.db2.gz IBFPFOMTINKQAQ-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1cccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735912806 599205275 /nfs/dbraw/zinc/20/52/75/599205275.db2.gz IBFPFOMTINKQAQ-QGZVFWFLSA-N -1 3 384.396 2.708 20 5 GFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000821109164 607304992 /nfs/dbraw/zinc/30/49/92/607304992.db2.gz ANPKJGTXNNNDRJ-UHFFFAOYSA-N -1 3 395.423 2.551 20 5 GFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000821109164 607304993 /nfs/dbraw/zinc/30/49/93/607304993.db2.gz ANPKJGTXNNNDRJ-UHFFFAOYSA-N -1 3 395.423 2.551 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccn(-c2ccccc2)n1 ZINC000738357615 598244879 /nfs/dbraw/zinc/24/48/79/598244879.db2.gz GNUFKKKOCCDGKQ-UHFFFAOYSA-N -1 3 376.380 2.615 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccn(-c2ccccc2)n1 ZINC000738357615 598244881 /nfs/dbraw/zinc/24/48/81/598244881.db2.gz GNUFKKKOCCDGKQ-UHFFFAOYSA-N -1 3 376.380 2.615 20 5 GFBDHM O=[N+]([O-])c1ccccc1CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738370957 598321364 /nfs/dbraw/zinc/32/13/64/598321364.db2.gz YQHZAZOEGRJUAO-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM O=[N+]([O-])c1ccccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738370957 598321365 /nfs/dbraw/zinc/32/13/65/598321365.db2.gz YQHZAZOEGRJUAO-UHFFFAOYSA-N -1 3 389.828 2.915 20 5 GFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736633605 598498195 /nfs/dbraw/zinc/49/81/95/598498195.db2.gz BNWHJYPPOVEBSQ-UHFFFAOYSA-N -1 3 390.306 2.704 20 5 GFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000736633605 598498197 /nfs/dbraw/zinc/49/81/97/598498197.db2.gz BNWHJYPPOVEBSQ-UHFFFAOYSA-N -1 3 390.306 2.704 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000737832182 598648501 /nfs/dbraw/zinc/64/85/01/598648501.db2.gz FJIRRACVVXCPJN-UHFFFAOYSA-N -1 3 382.380 2.963 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000737832182 598648503 /nfs/dbraw/zinc/64/85/03/598648503.db2.gz FJIRRACVVXCPJN-UHFFFAOYSA-N -1 3 382.380 2.963 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000738358140 598676246 /nfs/dbraw/zinc/67/62/46/598676246.db2.gz LMRHHEKFPWRVEX-OAHLLOKOSA-N -1 3 394.313 2.637 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000738358140 598676249 /nfs/dbraw/zinc/67/62/49/598676249.db2.gz LMRHHEKFPWRVEX-OAHLLOKOSA-N -1 3 394.313 2.637 20 5 GFBDHM CCc1cccc2c(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c[nH]c21 ZINC000736695882 598678608 /nfs/dbraw/zinc/67/86/08/598678608.db2.gz RTOSFOYVAUUKBV-UHFFFAOYSA-N -1 3 378.396 2.868 20 5 GFBDHM CCc1cccc2c(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c[nH]c21 ZINC000736695882 598678610 /nfs/dbraw/zinc/67/86/10/598678610.db2.gz RTOSFOYVAUUKBV-UHFFFAOYSA-N -1 3 378.396 2.868 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3cccc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823645952 599499424 /nfs/dbraw/zinc/49/94/24/599499424.db2.gz XNUSKYKFVZULNA-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H](O)c3cccc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823645952 599499425 /nfs/dbraw/zinc/49/94/25/599499425.db2.gz XNUSKYKFVZULNA-INIZCTEOSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCc3nccs3)cc(-c3nnn[n-]3)c2c1 ZINC000823644105 599555823 /nfs/dbraw/zinc/55/58/23/599555823.db2.gz FTFXHXCTVZQOIT-UHFFFAOYSA-N -1 3 382.409 2.824 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCCc3nccs3)cc(-c3nn[n-]n3)c2c1 ZINC000823644105 599555826 /nfs/dbraw/zinc/55/58/26/599555826.db2.gz FTFXHXCTVZQOIT-UHFFFAOYSA-N -1 3 382.409 2.824 20 5 GFBDHM COc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000821786277 599686599 /nfs/dbraw/zinc/68/65/99/599686599.db2.gz CKLWAFIECNKNAE-UHFFFAOYSA-N -1 3 381.396 2.563 20 5 GFBDHM COc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000821786277 599686600 /nfs/dbraw/zinc/68/66/00/599686600.db2.gz CKLWAFIECNKNAE-UHFFFAOYSA-N -1 3 381.396 2.563 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820164070 607403159 /nfs/dbraw/zinc/40/31/59/607403159.db2.gz BYNDNDCLYYIYLO-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820164070 607403160 /nfs/dbraw/zinc/40/31/60/607403160.db2.gz BYNDNDCLYYIYLO-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000821745353 607412236 /nfs/dbraw/zinc/41/22/36/607412236.db2.gz REBIOQOGQITOEQ-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM O=C([O-])c1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000738673515 600480758 /nfs/dbraw/zinc/48/07/58/600480758.db2.gz QHKQJEWRQDAVET-QGZVFWFLSA-N -1 3 383.404 2.687 20 5 GFBDHM C[C@@H]1CN(CCCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000828451625 601591785 /nfs/dbraw/zinc/59/17/85/601591785.db2.gz VCZYANRNKRVAJS-OCESRQBRSA-N -1 3 377.441 2.994 20 5 GFBDHM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CN1C1CC1 ZINC000833595862 605021941 /nfs/dbraw/zinc/02/19/41/605021941.db2.gz ARUKQBRABKMSLW-RYUDHWBXSA-N -1 3 393.465 2.517 20 5 GFBDHM COCCCOc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826157327 607730153 /nfs/dbraw/zinc/73/01/53/607730153.db2.gz QYJOYDHZHXIKAE-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM COCCCOc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826157327 607730156 /nfs/dbraw/zinc/73/01/56/607730156.db2.gz QYJOYDHZHXIKAE-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM CC[C@@](C)(CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1OCCO1 ZINC000820854051 606056635 /nfs/dbraw/zinc/05/66/35/606056635.db2.gz RBRKSLQODQHOID-KRWDZBQOSA-N -1 3 376.417 2.756 20 5 GFBDHM CC[C@@](C)(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1OCCO1 ZINC000820854051 606056641 /nfs/dbraw/zinc/05/66/41/606056641.db2.gz RBRKSLQODQHOID-KRWDZBQOSA-N -1 3 376.417 2.756 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000822154350 606145205 /nfs/dbraw/zinc/14/52/05/606145205.db2.gz VEZKSODYSQQDTH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000822154350 606145208 /nfs/dbraw/zinc/14/52/08/606145208.db2.gz VEZKSODYSQQDTH-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640948 606416667 /nfs/dbraw/zinc/41/66/67/606416667.db2.gz SKGZUBJQGXWKBD-PXAZEXFGSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640948 606416669 /nfs/dbraw/zinc/41/66/69/606416669.db2.gz SKGZUBJQGXWKBD-PXAZEXFGSA-N -1 3 396.407 2.648 20 5 GFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000820455660 606430090 /nfs/dbraw/zinc/43/00/90/606430090.db2.gz KLQIADQFFLVKLR-NSHDSACASA-N -1 3 392.379 2.922 20 5 GFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000820455660 606430092 /nfs/dbraw/zinc/43/00/92/606430092.db2.gz KLQIADQFFLVKLR-NSHDSACASA-N -1 3 392.379 2.922 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228600 606542966 /nfs/dbraw/zinc/54/29/66/606542966.db2.gz ACNWYTRRDQEJBW-STQMWFEESA-N -1 3 396.407 2.728 20 5 GFBDHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988113 606585696 /nfs/dbraw/zinc/58/56/96/606585696.db2.gz TUWVYGPXQDVVQQ-UHFFFAOYSA-N -1 3 381.396 2.509 20 5 GFBDHM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988113 606585698 /nfs/dbraw/zinc/58/56/98/606585698.db2.gz TUWVYGPXQDVVQQ-UHFFFAOYSA-N -1 3 381.396 2.509 20 5 GFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCN(c3ccc(F)cc3)C2)ccc1-c1nnn[n-]1 ZINC000823635029 606646140 /nfs/dbraw/zinc/64/61/40/606646140.db2.gz PXFXSJNEIXQZSF-GFCCVEGCSA-N -1 3 383.387 2.852 20 5 GFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821389346 606666258 /nfs/dbraw/zinc/66/62/58/606666258.db2.gz JPUUAEJEXWMDCT-UHFFFAOYSA-N -1 3 383.364 2.712 20 5 GFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821389346 606666259 /nfs/dbraw/zinc/66/62/59/606666259.db2.gz JPUUAEJEXWMDCT-UHFFFAOYSA-N -1 3 383.364 2.712 20 5 GFBDHM CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919960 606685783 /nfs/dbraw/zinc/68/57/83/606685783.db2.gz IGEYJRFXTMAXKX-AWEZNQCLSA-N -1 3 388.334 2.934 20 5 GFBDHM CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820919960 606685784 /nfs/dbraw/zinc/68/57/84/606685784.db2.gz IGEYJRFXTMAXKX-AWEZNQCLSA-N -1 3 388.334 2.934 20 5 GFBDHM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000820462629 606709314 /nfs/dbraw/zinc/70/93/14/606709314.db2.gz ZBOZPKWCSSGYOX-ZETCQYMHSA-N -1 3 385.775 2.873 20 5 GFBDHM COC(=O)c1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc(C)c1[N+](=O)[O-] ZINC000821668289 606787467 /nfs/dbraw/zinc/78/74/67/606787467.db2.gz YZNCDTPUQCESOC-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM COC(=O)c1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc(C)c1[N+](=O)[O-] ZINC000821668289 606787469 /nfs/dbraw/zinc/78/74/69/606787469.db2.gz YZNCDTPUQCESOC-UHFFFAOYSA-N -1 3 382.380 2.506 20 5 GFBDHM O=C(Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000823375683 606809905 /nfs/dbraw/zinc/80/99/05/606809905.db2.gz FFQZJUJZMYWIGW-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM O=C(Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000823375683 606809907 /nfs/dbraw/zinc/80/99/07/606809907.db2.gz FFQZJUJZMYWIGW-UHFFFAOYSA-N -1 3 394.376 2.546 20 5 GFBDHM CC(C)CO[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820096725 607043535 /nfs/dbraw/zinc/04/35/35/607043535.db2.gz GQGJYKOVBOEDAS-CYBMUJFWSA-N -1 3 383.412 2.574 20 5 GFBDHM CC(C)CO[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820096725 607043537 /nfs/dbraw/zinc/04/35/37/607043537.db2.gz GQGJYKOVBOEDAS-CYBMUJFWSA-N -1 3 383.412 2.574 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823413974 607077926 /nfs/dbraw/zinc/07/79/26/607077926.db2.gz PPDMSUZXSFFILG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823413974 607077928 /nfs/dbraw/zinc/07/79/28/607077928.db2.gz PPDMSUZXSFFILG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821294836 607100480 /nfs/dbraw/zinc/10/04/80/607100480.db2.gz YUUWOCPHDMINIC-YHYXMXQVSA-N -1 3 379.380 2.859 20 5 GFBDHM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510863 607125531 /nfs/dbraw/zinc/12/55/31/607125531.db2.gz BLZHUODPUITOCG-HNNXBMFYSA-N -1 3 399.798 2.646 20 5 GFBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c2ccc([N+](=O)[O-])cc12 ZINC000826335121 607848365 /nfs/dbraw/zinc/84/83/65/607848365.db2.gz ZEWYWEIMUWBTGP-UHFFFAOYSA-N -1 3 382.359 2.666 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826272705 607863529 /nfs/dbraw/zinc/86/35/29/607863529.db2.gz XOOKTKLZCHSRQR-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826272705 607863530 /nfs/dbraw/zinc/86/35/30/607863530.db2.gz XOOKTKLZCHSRQR-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccncc1 ZINC000824385474 608158802 /nfs/dbraw/zinc/15/88/02/608158802.db2.gz UXSQQUOIPSJBHF-SECBINFHSA-N -1 3 387.787 2.956 20 5 GFBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccncc1 ZINC000824385474 608158804 /nfs/dbraw/zinc/15/88/04/608158804.db2.gz UXSQQUOIPSJBHF-SECBINFHSA-N -1 3 387.787 2.956 20 5 GFBDHM O=C(Cc1c(F)cccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826421736 608161521 /nfs/dbraw/zinc/16/15/21/608161521.db2.gz WQTWJASSESFFTB-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Cc1c(F)cccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826421736 608161523 /nfs/dbraw/zinc/16/15/23/608161523.db2.gz WQTWJASSESFFTB-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(CC1CCSCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826404554 608161792 /nfs/dbraw/zinc/16/17/92/608161792.db2.gz DSVFKJQVHLWOLE-UHFFFAOYSA-N -1 3 382.833 2.900 20 5 GFBDHM O=C(CC1CCSCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826404554 608161794 /nfs/dbraw/zinc/16/17/94/608161794.db2.gz DSVFKJQVHLWOLE-UHFFFAOYSA-N -1 3 382.833 2.900 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826187312 608163215 /nfs/dbraw/zinc/16/32/15/608163215.db2.gz KSKRWHHHSLRSLD-UHFFFAOYSA-N -1 3 388.771 2.998 20 5 GFBDHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826187312 608163216 /nfs/dbraw/zinc/16/32/16/608163216.db2.gz KSKRWHHHSLRSLD-UHFFFAOYSA-N -1 3 388.771 2.998 20 5 GFBDHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826475621 608210129 /nfs/dbraw/zinc/21/01/29/608210129.db2.gz LRGZFLBPOFKWPL-UHFFFAOYSA-N -1 3 399.798 2.628 20 5 GFBDHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826475621 608210130 /nfs/dbraw/zinc/21/01/30/608210130.db2.gz LRGZFLBPOFKWPL-UHFFFAOYSA-N -1 3 399.798 2.628 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824632791 608461370 /nfs/dbraw/zinc/46/13/70/608461370.db2.gz FCMUBGMUOOITSO-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824632791 608461371 /nfs/dbraw/zinc/46/13/71/608461371.db2.gz FCMUBGMUOOITSO-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633359 608468945 /nfs/dbraw/zinc/46/89/45/608468945.db2.gz LOHRLLDGSKPZQB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633359 608468946 /nfs/dbraw/zinc/46/89/46/608468946.db2.gz LOHRLLDGSKPZQB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826423671 608485558 /nfs/dbraw/zinc/48/55/58/608485558.db2.gz AMAGZNKQQLXOHI-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM O=C(Cc1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826423671 608485559 /nfs/dbraw/zinc/48/55/59/608485559.db2.gz AMAGZNKQQLXOHI-UHFFFAOYSA-N -1 3 390.403 2.633 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000824634680 608563733 /nfs/dbraw/zinc/56/37/33/608563733.db2.gz WULIHOSELIGQMA-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000824634680 608563735 /nfs/dbraw/zinc/56/37/35/608563735.db2.gz WULIHOSELIGQMA-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341865 608565091 /nfs/dbraw/zinc/56/50/91/608565091.db2.gz RSHZMKSUHUAQLV-GHMZBOCLSA-N -1 3 399.411 2.663 20 5 GFBDHM Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341865 608565093 /nfs/dbraw/zinc/56/50/93/608565093.db2.gz RSHZMKSUHUAQLV-GHMZBOCLSA-N -1 3 399.411 2.663 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826272507 609163764 /nfs/dbraw/zinc/16/37/64/609163764.db2.gz NJICKJTYLGSKIF-RMKNXTFCSA-N -1 3 395.375 2.719 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826272507 609163766 /nfs/dbraw/zinc/16/37/66/609163766.db2.gz NJICKJTYLGSKIF-RMKNXTFCSA-N -1 3 395.375 2.719 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829355 609391299 /nfs/dbraw/zinc/39/12/99/609391299.db2.gz CMXUXGVJDFUUQQ-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829355 609391301 /nfs/dbraw/zinc/39/13/01/609391301.db2.gz CMXUXGVJDFUUQQ-UHFFFAOYSA-N -1 3 390.306 2.653 20 5 GFBDHM Cc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826241702 609395269 /nfs/dbraw/zinc/39/52/69/609395269.db2.gz LTZQURJXJRMYBG-UHFFFAOYSA-N -1 3 397.351 2.563 20 5 GFBDHM Cc1c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826241702 609395272 /nfs/dbraw/zinc/39/52/72/609395272.db2.gz LTZQURJXJRMYBG-UHFFFAOYSA-N -1 3 397.351 2.563 20 5 GFBDHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC3 ZINC000826293642 609435049 /nfs/dbraw/zinc/43/50/49/609435049.db2.gz WVZJTAYYVMZTIJ-LLVKDONJSA-N -1 3 390.407 2.929 20 5 GFBDHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC3 ZINC000826293642 609435052 /nfs/dbraw/zinc/43/50/52/609435052.db2.gz WVZJTAYYVMZTIJ-LLVKDONJSA-N -1 3 390.407 2.929 20 5 GFBDHM CC(=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000823943658 609509018 /nfs/dbraw/zinc/50/90/18/609509018.db2.gz RCDFEGJWILRKIU-ACCUITESSA-N -1 3 390.403 2.984 20 5 GFBDHM CC(=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000823943658 609509019 /nfs/dbraw/zinc/50/90/19/609509019.db2.gz RCDFEGJWILRKIU-ACCUITESSA-N -1 3 390.403 2.984 20 5 GFBDHM COc1cccc(CC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000826216141 609588142 /nfs/dbraw/zinc/58/81/42/609588142.db2.gz MBKYBSVUJGGZGW-UHFFFAOYSA-N -1 3 395.423 2.638 20 5 GFBDHM COc1cccc(CC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000826216141 609588143 /nfs/dbraw/zinc/58/81/43/609588143.db2.gz MBKYBSVUJGGZGW-UHFFFAOYSA-N -1 3 395.423 2.638 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826212126 609614369 /nfs/dbraw/zinc/61/43/69/609614369.db2.gz HIQHRSFDGYQRCN-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826212126 609614371 /nfs/dbraw/zinc/61/43/71/609614371.db2.gz HIQHRSFDGYQRCN-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000026238156 654556333 /nfs/dbraw/zinc/55/63/33/654556333.db2.gz JLFHSTALMYQSJP-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)c(F)c1 ZINC000126052995 654807894 /nfs/dbraw/zinc/80/78/94/654807894.db2.gz YSGIJMAHVSPIPB-GFCCVEGCSA-N -1 3 392.405 2.909 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000131246522 654900235 /nfs/dbraw/zinc/90/02/35/654900235.db2.gz YTFJHPSNXAAVOF-UHFFFAOYSA-N -1 3 375.878 2.791 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cs1 ZINC000267598841 654937160 /nfs/dbraw/zinc/93/71/60/654937160.db2.gz CZYOQAMMWPTMCU-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000153969564 655072260 /nfs/dbraw/zinc/07/22/60/655072260.db2.gz DOOWXJNOVAAROJ-HNNXBMFYSA-N -1 3 388.804 2.573 20 5 GFBDHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000110177895 655155731 /nfs/dbraw/zinc/15/57/31/655155731.db2.gz PJGDEOSQLRSLDM-UHFFFAOYSA-N -1 3 389.842 2.812 20 5 GFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000173831681 655182182 /nfs/dbraw/zinc/18/21/82/655182182.db2.gz AOMGRLIHYBKZDL-LBPRGKRZSA-N -1 3 395.275 2.697 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c(Br)c1 ZINC000578744753 655486051 /nfs/dbraw/zinc/48/60/51/655486051.db2.gz UDNMEJYXCOHJEH-DTWKUNHWSA-N -1 3 381.223 2.916 20 5 GFBDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768858657 656256589 /nfs/dbraw/zinc/25/65/89/656256589.db2.gz RFMBHAHQAZOXFS-UHFFFAOYSA-N -1 3 376.799 2.897 20 5 GFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000778330030 656875462 /nfs/dbraw/zinc/87/54/62/656875462.db2.gz ILJYHWOYGAQKAX-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM CCC(CC)([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OC ZINC000779902871 656961818 /nfs/dbraw/zinc/96/18/18/656961818.db2.gz UWPNPTAVSPQKHC-UHFFFAOYSA-N -1 3 378.834 2.567 20 5 GFBDHM Cc1cscc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000785274456 657351120 /nfs/dbraw/zinc/35/11/20/657351120.db2.gz ZTUAVNCABVKDEU-UHFFFAOYSA-N -1 3 385.423 2.968 20 5 GFBDHM CC1CCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000791422431 658096438 /nfs/dbraw/zinc/09/64/38/658096438.db2.gz FVIMOXWEEHROAE-UHFFFAOYSA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226741 659085967 /nfs/dbraw/zinc/08/59/67/659085967.db2.gz DROOSTNZODNJRJ-WDEREUQCSA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC[C@H]1C ZINC000809808384 659940230 /nfs/dbraw/zinc/94/02/30/659940230.db2.gz QZNUFCQXMXBGBM-GHMZBOCLSA-N -1 3 393.868 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1 ZINC000846037469 661526100 /nfs/dbraw/zinc/52/61/00/661526100.db2.gz PGSLQUYQOKMRQZ-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511671 551217175 /nfs/dbraw/zinc/21/71/75/551217175.db2.gz BRKJWUJMHKEAQV-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000162260984 551606124 /nfs/dbraw/zinc/60/61/24/551606124.db2.gz WJNJCXKRHQKVDM-MRXNPFEDSA-N -1 3 384.841 2.575 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000180761446 552234907 /nfs/dbraw/zinc/23/49/07/552234907.db2.gz YINKUGVHJWEWEQ-NSHDSACASA-N -1 3 382.360 2.851 20 5 GFBDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000420725071 563279309 /nfs/dbraw/zinc/27/93/09/563279309.db2.gz LQXPEKFFVRXQSN-KOLCDFICSA-N -1 3 393.259 2.593 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000420742993 563281565 /nfs/dbraw/zinc/28/15/65/563281565.db2.gz WCEOXLPPZHXPHD-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](CO)c3ccccc32)c(Cl)c1 ZINC000372738273 563316082 /nfs/dbraw/zinc/31/60/82/563316082.db2.gz JMKNEBKJHYBDLZ-MEBBXXQBSA-N -1 3 382.825 2.747 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000431019106 563551463 /nfs/dbraw/zinc/55/14/63/563551463.db2.gz KVJADLGYZYIGPD-UHFFFAOYSA-N -1 3 394.225 2.834 20 5 GFBDHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431853378 563569803 /nfs/dbraw/zinc/56/98/03/563569803.db2.gz HJTYLDAYAJVMGW-UHFFFAOYSA-N -1 3 388.181 2.817 20 5 GFBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410891 563824564 /nfs/dbraw/zinc/82/45/64/563824564.db2.gz YGMXXOMYKUPZQC-JQWIXIFHSA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416418526 563826502 /nfs/dbraw/zinc/82/65/02/563826502.db2.gz RDQHULAEFQARCQ-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM COc1cc(OC)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000445211009 563845340 /nfs/dbraw/zinc/84/53/40/563845340.db2.gz GVMICLUEXOSJKA-UHFFFAOYSA-N -1 3 398.169 2.727 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593913 563851389 /nfs/dbraw/zinc/85/13/89/563851389.db2.gz PNASSULBIKWRDX-YUMQZZPRSA-N -1 3 381.273 2.530 20 5 GFBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000447028102 563872726 /nfs/dbraw/zinc/87/27/26/563872726.db2.gz MYLIZEHNRCXHSP-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000507413332 564228071 /nfs/dbraw/zinc/22/80/71/564228071.db2.gz KGGXGIPBTDVOTE-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(OC)c1Br ZINC000540660848 564254027 /nfs/dbraw/zinc/25/40/27/564254027.db2.gz CXJSPPLJRNDVGF-UHFFFAOYSA-N -1 3 398.169 2.727 20 5 GFBDHM COC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000451817240 564355056 /nfs/dbraw/zinc/35/50/56/564355056.db2.gz ZACNNHQUHDBKDG-CYBMUJFWSA-N -1 3 384.841 2.957 20 5 GFBDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452055032 564387682 /nfs/dbraw/zinc/38/76/82/564387682.db2.gz BBIFFBOGOSHYQV-VXGBXAGGSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482214183 564538252 /nfs/dbraw/zinc/53/82/52/564538252.db2.gz UEURIBLAFRJIBP-ZETCQYMHSA-N -1 3 375.332 2.529 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482214183 564538255 /nfs/dbraw/zinc/53/82/55/564538255.db2.gz UEURIBLAFRJIBP-ZETCQYMHSA-N -1 3 375.332 2.529 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214183 564538260 /nfs/dbraw/zinc/53/82/60/564538260.db2.gz UEURIBLAFRJIBP-ZETCQYMHSA-N -1 3 375.332 2.529 20 5 GFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000572168278 564583354 /nfs/dbraw/zinc/58/33/54/564583354.db2.gz OPZCCZZNISKYEZ-LBPRGKRZSA-N -1 3 376.481 2.756 20 5 GFBDHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000573176315 564626521 /nfs/dbraw/zinc/62/65/21/564626521.db2.gz DMCCBGPLJYFRBZ-UHFFFAOYSA-N -1 3 380.813 2.613 20 5 GFBDHM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(Br)cc21 ZINC000553400111 564719211 /nfs/dbraw/zinc/71/92/11/564719211.db2.gz PSKNWDKWQKMBII-UHFFFAOYSA-N -1 3 393.197 2.555 20 5 GFBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000490547386 564776884 /nfs/dbraw/zinc/77/68/84/564776884.db2.gz KTZBDDOXEUXTDF-UHFFFAOYSA-N -1 3 378.834 2.648 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCN1CCCC1 ZINC000462482311 564842575 /nfs/dbraw/zinc/84/25/75/564842575.db2.gz FUEGNXFTLAIKSV-UHFFFAOYSA-N -1 3 382.269 2.666 20 5 GFBDHM Cn1cc(Br)c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000583144559 564878075 /nfs/dbraw/zinc/87/80/75/564878075.db2.gz HPUPNAUBWXGMDI-UHFFFAOYSA-N -1 3 385.193 2.568 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000467072578 564955221 /nfs/dbraw/zinc/95/52/21/564955221.db2.gz BOQFIULWSXUEQS-LLVKDONJSA-N -1 3 392.524 2.688 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588144353 565129108 /nfs/dbraw/zinc/12/91/08/565129108.db2.gz FYPIPECSCRDLAA-NSHDSACASA-N -1 3 390.870 2.673 20 5 GFBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083885 565253950 /nfs/dbraw/zinc/25/39/50/565253950.db2.gz RHERQMFMDXLKJO-GXSJLCMTSA-N -1 3 384.376 2.689 20 5 GFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000619651894 565354399 /nfs/dbraw/zinc/35/43/99/565354399.db2.gz ZURCGVKLIURKIF-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000594778718 565420053 /nfs/dbraw/zinc/42/00/53/565420053.db2.gz VSNDYKXYAJARJV-UHFFFAOYSA-N -1 3 375.328 2.764 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000595359563 565468659 /nfs/dbraw/zinc/46/86/59/565468659.db2.gz QBCJRFHACUSSLE-WHXUTIOJSA-N -1 3 378.397 2.938 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCN(CC2CC2)C1 ZINC000595409257 565474957 /nfs/dbraw/zinc/47/49/57/565474957.db2.gz CPXXTWYPADNDSV-ZDUSSCGKSA-N -1 3 387.889 2.649 20 5 GFBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cn1 ZINC000599528116 565686914 /nfs/dbraw/zinc/68/69/14/565686914.db2.gz ZMKYXVMZKFMSAT-HNNXBMFYSA-N -1 3 383.451 2.798 20 5 GFBDHM Cc1occc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610955759 566108156 /nfs/dbraw/zinc/10/81/56/566108156.db2.gz PGTNYQZIQLKABV-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000611469281 566131780 /nfs/dbraw/zinc/13/17/80/566131780.db2.gz CEIWMRIXESAAAZ-CABZTGNLSA-N -1 3 382.360 2.850 20 5 GFBDHM Cn1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000612687386 566171311 /nfs/dbraw/zinc/17/13/11/566171311.db2.gz IGGMVWMLMIIWQR-UHFFFAOYSA-N -1 3 380.813 2.613 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737023698 598829251 /nfs/dbraw/zinc/82/92/51/598829251.db2.gz AIXDIOOELIDRDI-UHFFFAOYSA-N -1 3 383.364 2.667 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737023698 598829253 /nfs/dbraw/zinc/82/92/53/598829253.db2.gz AIXDIOOELIDRDI-UHFFFAOYSA-N -1 3 383.364 2.667 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369827 598972039 /nfs/dbraw/zinc/97/20/39/598972039.db2.gz PMLBGLMWVKZESS-UFBFGSQYSA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738369827 598972041 /nfs/dbraw/zinc/97/20/41/598972041.db2.gz PMLBGLMWVKZESS-UFBFGSQYSA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738367956 598977209 /nfs/dbraw/zinc/97/72/09/598977209.db2.gz ABXQWEXCBNWHGI-LLVKDONJSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738367956 598977211 /nfs/dbraw/zinc/97/72/11/598977211.db2.gz ABXQWEXCBNWHGI-LLVKDONJSA-N -1 3 396.194 2.622 20 5 GFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820778004 599039639 /nfs/dbraw/zinc/03/96/39/599039639.db2.gz UHXGHHHJKUEXIV-PIGZYNQJSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820778004 599039641 /nfs/dbraw/zinc/03/96/41/599039641.db2.gz UHXGHHHJKUEXIV-PIGZYNQJSA-N -1 3 384.371 2.880 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c([N+](=O)[O-])c1 ZINC000737364647 599162239 /nfs/dbraw/zinc/16/22/39/599162239.db2.gz ABKHXUXNTVKRNG-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c([N+](=O)[O-])c1 ZINC000737364647 599162242 /nfs/dbraw/zinc/16/22/42/599162242.db2.gz ABKHXUXNTVKRNG-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cccc1-c1nnn[n-]1 ZINC000822116463 607267548 /nfs/dbraw/zinc/26/75/48/607267548.db2.gz RMOFESLQGVHEEW-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cccc1-c1nn[n-]n1 ZINC000822116463 607267549 /nfs/dbraw/zinc/26/75/49/607267549.db2.gz RMOFESLQGVHEEW-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736827691 598278124 /nfs/dbraw/zinc/27/81/24/598278124.db2.gz AGHOTLRAEJGXOI-UHFFFAOYSA-N -1 3 398.427 2.995 20 5 GFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736827691 598278126 /nfs/dbraw/zinc/27/81/26/598278126.db2.gz AGHOTLRAEJGXOI-UHFFFAOYSA-N -1 3 398.427 2.995 20 5 GFBDHM CSc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737191938 598305245 /nfs/dbraw/zinc/30/52/45/598305245.db2.gz FEPPISWPHRXNHL-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM CSc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737191938 598305247 /nfs/dbraw/zinc/30/52/47/598305247.db2.gz FEPPISWPHRXNHL-UHFFFAOYSA-N -1 3 388.384 2.566 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000736910795 598310628 /nfs/dbraw/zinc/31/06/28/598310628.db2.gz BVAQGHGUWUZBQW-XVNBXDOJSA-N -1 3 398.354 2.712 20 5 GFBDHM COC(=O)C=Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000736910795 598310630 /nfs/dbraw/zinc/31/06/30/598310630.db2.gz BVAQGHGUWUZBQW-XVNBXDOJSA-N -1 3 398.354 2.712 20 5 GFBDHM COc1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000737087406 598387997 /nfs/dbraw/zinc/38/79/97/598387997.db2.gz NCOAHDVJKBDOQX-NSHDSACASA-N -1 3 384.396 2.835 20 5 GFBDHM COc1ccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC000737087406 598387998 /nfs/dbraw/zinc/38/79/98/598387998.db2.gz NCOAHDVJKBDOQX-NSHDSACASA-N -1 3 384.396 2.835 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737115711 598490981 /nfs/dbraw/zinc/49/09/81/598490981.db2.gz NWYKDESGQUXRRL-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737115711 598490982 /nfs/dbraw/zinc/49/09/82/598490982.db2.gz NWYKDESGQUXRRL-UHFFFAOYSA-N -1 3 385.384 2.592 20 5 GFBDHM Cc1nc(COc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2)no1 ZINC000737478008 598504051 /nfs/dbraw/zinc/50/40/51/598504051.db2.gz ONJUOKVMJDSBCH-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM Cc1nc(COc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2)no1 ZINC000737478008 598504053 /nfs/dbraw/zinc/50/40/53/598504053.db2.gz ONJUOKVMJDSBCH-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000738359379 598504680 /nfs/dbraw/zinc/50/46/80/598504680.db2.gz QHEZTLMKGNHFDQ-GOSISDBHSA-N -1 3 398.398 2.864 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000738359379 598504681 /nfs/dbraw/zinc/50/46/81/598504681.db2.gz QHEZTLMKGNHFDQ-GOSISDBHSA-N -1 3 398.398 2.864 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737965697 598547197 /nfs/dbraw/zinc/54/71/97/598547197.db2.gz DJVLFEUHCQQVMV-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737965697 598547198 /nfs/dbraw/zinc/54/71/98/598547198.db2.gz DJVLFEUHCQQVMV-UHFFFAOYSA-N -1 3 390.306 2.558 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737946587 598702504 /nfs/dbraw/zinc/70/25/04/598702504.db2.gz IRYGOCYHBCRRSJ-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737946587 598702506 /nfs/dbraw/zinc/70/25/06/598702506.db2.gz IRYGOCYHBCRRSJ-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737941908 599374948 /nfs/dbraw/zinc/37/49/48/599374948.db2.gz GCOZDGCOLNVMOZ-UHFFFAOYSA-N -1 3 396.432 2.846 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000737941908 599374951 /nfs/dbraw/zinc/37/49/51/599374951.db2.gz GCOZDGCOLNVMOZ-UHFFFAOYSA-N -1 3 396.432 2.846 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820385150 599499318 /nfs/dbraw/zinc/49/93/18/599499318.db2.gz PSNOKCRLKQCFMC-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820385150 599499320 /nfs/dbraw/zinc/49/93/20/599499320.db2.gz PSNOKCRLKQCFMC-SNVBAGLBSA-N -1 3 377.364 2.747 20 5 GFBDHM O=C1CCCN1C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000823530302 599577897 /nfs/dbraw/zinc/57/78/97/599577897.db2.gz IPZDPSNYRCBQDR-QGZVFWFLSA-N -1 3 393.407 2.551 20 5 GFBDHM O=C1CCCN1C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000823530302 599577899 /nfs/dbraw/zinc/57/78/99/599577899.db2.gz IPZDPSNYRCBQDR-QGZVFWFLSA-N -1 3 393.407 2.551 20 5 GFBDHM COc1ccc(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000821790471 599591494 /nfs/dbraw/zinc/59/14/94/599591494.db2.gz OGLCNGVTKLUJLP-AWEZNQCLSA-N -1 3 395.423 2.638 20 5 GFBDHM COc1ccc(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000821790471 599591498 /nfs/dbraw/zinc/59/14/98/599591498.db2.gz OGLCNGVTKLUJLP-AWEZNQCLSA-N -1 3 395.423 2.638 20 5 GFBDHM Cc1c(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826241649 607391024 /nfs/dbraw/zinc/39/10/24/607391024.db2.gz KHJGXSBLYLSGFW-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM Cc1c(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826241649 607391026 /nfs/dbraw/zinc/39/10/26/607391026.db2.gz KHJGXSBLYLSGFW-UHFFFAOYSA-N -1 3 379.380 2.894 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826253935 607413256 /nfs/dbraw/zinc/41/32/56/607413256.db2.gz LOVKERZMSIGVIV-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826253935 607413257 /nfs/dbraw/zinc/41/32/57/607413257.db2.gz LOVKERZMSIGVIV-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823332735 606108791 /nfs/dbraw/zinc/10/87/91/606108791.db2.gz QGPDKAYEYXWZHU-UHFFFAOYSA-N -1 3 384.743 2.557 20 5 GFBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000823332735 606108794 /nfs/dbraw/zinc/10/87/94/606108794.db2.gz QGPDKAYEYXWZHU-UHFFFAOYSA-N -1 3 384.743 2.557 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc([N+](=O)[O-])cc1F ZINC000822505716 606171959 /nfs/dbraw/zinc/17/19/59/606171959.db2.gz SNRDZHZYKKNXBG-UHFFFAOYSA-N -1 3 380.343 2.529 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc([N+](=O)[O-])cc1F ZINC000822505716 606171960 /nfs/dbraw/zinc/17/19/60/606171960.db2.gz SNRDZHZYKKNXBG-UHFFFAOYSA-N -1 3 380.343 2.529 20 5 GFBDHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640514 606416758 /nfs/dbraw/zinc/41/67/58/606416758.db2.gz JVUVRIYPMYGBCM-SJKOYZFVSA-N -1 3 396.407 2.648 20 5 GFBDHM COC(=O)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640514 606416761 /nfs/dbraw/zinc/41/67/61/606416761.db2.gz JVUVRIYPMYGBCM-SJKOYZFVSA-N -1 3 396.407 2.648 20 5 GFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000820926122 606419507 /nfs/dbraw/zinc/41/95/07/606419507.db2.gz OZEKBAZMSNGNSE-LRDDRELGSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000820926122 606419508 /nfs/dbraw/zinc/41/95/08/606419508.db2.gz OZEKBAZMSNGNSE-LRDDRELGSA-N -1 3 390.350 2.977 20 5 GFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820527281 606546162 /nfs/dbraw/zinc/54/61/62/606546162.db2.gz KRFXUANFSAYBMG-LBPRGKRZSA-N -1 3 396.407 2.594 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000821761834 606576523 /nfs/dbraw/zinc/57/65/23/606576523.db2.gz FNBNJEQDKPEFJL-UHFFFAOYSA-N -1 3 397.395 2.840 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000821761834 606576525 /nfs/dbraw/zinc/57/65/25/606576525.db2.gz FNBNJEQDKPEFJL-UHFFFAOYSA-N -1 3 397.395 2.840 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822271204 606638827 /nfs/dbraw/zinc/63/88/27/606638827.db2.gz QKAVNVCROZPDCN-HNNXBMFYSA-N -1 3 393.407 2.609 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822271204 606638828 /nfs/dbraw/zinc/63/88/28/606638828.db2.gz QKAVNVCROZPDCN-HNNXBMFYSA-N -1 3 393.407 2.609 20 5 GFBDHM COc1ccccc1N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000821899513 606645689 /nfs/dbraw/zinc/64/56/89/606645689.db2.gz ZWCFEUHMELWOEO-ZDUSSCGKSA-N -1 3 395.423 2.722 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822271189 606655949 /nfs/dbraw/zinc/65/59/49/606655949.db2.gz PXRQNDQZSUQUMU-GFCCVEGCSA-N -1 3 382.380 2.798 20 5 GFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823355333 606687046 /nfs/dbraw/zinc/68/70/46/606687046.db2.gz AGQOWMNJBVOGGP-UHFFFAOYSA-N -1 3 397.301 2.854 20 5 GFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823355333 606687047 /nfs/dbraw/zinc/68/70/47/606687047.db2.gz AGQOWMNJBVOGGP-UHFFFAOYSA-N -1 3 397.301 2.854 20 5 GFBDHM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821639054 606756910 /nfs/dbraw/zinc/75/69/10/606756910.db2.gz OEYDXBGVPRZTEA-ZDUSSCGKSA-N -1 3 396.407 2.591 20 5 GFBDHM COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821639054 606756912 /nfs/dbraw/zinc/75/69/12/606756912.db2.gz OEYDXBGVPRZTEA-ZDUSSCGKSA-N -1 3 396.407 2.591 20 5 GFBDHM Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822212992 606793641 /nfs/dbraw/zinc/79/36/41/606793641.db2.gz PRIMSIFOGSNLFI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822212992 606793643 /nfs/dbraw/zinc/79/36/43/606793643.db2.gz PRIMSIFOGSNLFI-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1c(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822021367 606943602 /nfs/dbraw/zinc/94/36/02/606943602.db2.gz YNGUWVPIHSYKRB-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1c(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822021367 606943603 /nfs/dbraw/zinc/94/36/03/606943603.db2.gz YNGUWVPIHSYKRB-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823422133 606994377 /nfs/dbraw/zinc/99/43/77/606994377.db2.gz OGURPJIQSJUVFV-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823422133 606994378 /nfs/dbraw/zinc/99/43/78/606994378.db2.gz OGURPJIQSJUVFV-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819892167 606999527 /nfs/dbraw/zinc/99/95/27/606999527.db2.gz XJUXEGDEXBBFTR-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819892167 606999529 /nfs/dbraw/zinc/99/95/29/606999529.db2.gz XJUXEGDEXBBFTR-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823417748 607074571 /nfs/dbraw/zinc/07/45/71/607074571.db2.gz HLTFLIMOAXJIKK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823417748 607074573 /nfs/dbraw/zinc/07/45/73/607074573.db2.gz HLTFLIMOAXJIKK-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823417827 607074818 /nfs/dbraw/zinc/07/48/18/607074818.db2.gz JWURYUBRIZGOFD-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823417827 607074819 /nfs/dbraw/zinc/07/48/19/607074819.db2.gz JWURYUBRIZGOFD-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821417555 607075398 /nfs/dbraw/zinc/07/53/98/607075398.db2.gz OJYIBAOTJKYJPV-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821417555 607075400 /nfs/dbraw/zinc/07/54/00/607075400.db2.gz OJYIBAOTJKYJPV-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM Cc1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1[N+](=O)[O-] ZINC000826300221 607863360 /nfs/dbraw/zinc/86/33/60/607863360.db2.gz MUEHGOCNRHTBFN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1[N+](=O)[O-] ZINC000826300221 607863361 /nfs/dbraw/zinc/86/33/61/607863361.db2.gz MUEHGOCNRHTBFN-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826499674 607876667 /nfs/dbraw/zinc/87/66/67/607876667.db2.gz RTODDYCNDDRGMY-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000826499674 607876668 /nfs/dbraw/zinc/87/66/68/607876668.db2.gz RTODDYCNDDRGMY-CYBMUJFWSA-N -1 3 395.297 2.906 20 5 GFBDHM CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc21 ZINC000823973958 607937241 /nfs/dbraw/zinc/93/72/41/607937241.db2.gz MYLLXOCGKVMGEM-MRXNPFEDSA-N -1 3 379.380 2.685 20 5 GFBDHM CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc21 ZINC000823973958 607937242 /nfs/dbraw/zinc/93/72/42/607937242.db2.gz MYLLXOCGKVMGEM-MRXNPFEDSA-N -1 3 379.380 2.685 20 5 GFBDHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928097 608161293 /nfs/dbraw/zinc/16/12/93/608161293.db2.gz RCXWTRVKUYDQCJ-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928097 608161294 /nfs/dbraw/zinc/16/12/94/608161294.db2.gz RCXWTRVKUYDQCJ-MWLCHTKSSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824721937 608183532 /nfs/dbraw/zinc/18/35/32/608183532.db2.gz FPYPOEMIUPECGQ-LLVKDONJSA-N -1 3 382.380 2.759 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824721937 608183533 /nfs/dbraw/zinc/18/35/33/608183533.db2.gz FPYPOEMIUPECGQ-LLVKDONJSA-N -1 3 382.380 2.759 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826254396 608314069 /nfs/dbraw/zinc/31/40/69/608314069.db2.gz IZRYQIFSKCZMAB-UHFFFAOYSA-N -1 3 390.359 2.989 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826254396 608314071 /nfs/dbraw/zinc/31/40/71/608314071.db2.gz IZRYQIFSKCZMAB-UHFFFAOYSA-N -1 3 390.359 2.989 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826172479 608349523 /nfs/dbraw/zinc/34/95/23/608349523.db2.gz ISAZSOYSCGNHGK-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826172479 608349526 /nfs/dbraw/zinc/34/95/26/608349526.db2.gz ISAZSOYSCGNHGK-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826172828 608350349 /nfs/dbraw/zinc/35/03/49/608350349.db2.gz ZHDCOIGSETXZEB-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826172828 608350351 /nfs/dbraw/zinc/35/03/51/608350351.db2.gz ZHDCOIGSETXZEB-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824489589 608424411 /nfs/dbraw/zinc/42/44/11/608424411.db2.gz LXIQWFFOCXNYQK-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824489589 608424412 /nfs/dbraw/zinc/42/44/12/608424412.db2.gz LXIQWFFOCXNYQK-LBPRGKRZSA-N -1 3 381.396 2.678 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000828204264 660539482 /nfs/dbraw/zinc/53/94/82/660539482.db2.gz ZLSQLCRRBJVBJY-UBHAPETDSA-N -1 3 375.244 2.824 20 5 GFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000836608166 660920244 /nfs/dbraw/zinc/92/02/44/660920244.db2.gz LEVYDYMWEAIBRB-UHFFFAOYSA-N -1 3 390.190 2.752 20 5 GFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000836608166 660920254 /nfs/dbraw/zinc/92/02/54/660920254.db2.gz LEVYDYMWEAIBRB-UHFFFAOYSA-N -1 3 390.190 2.752 20 5 GFBDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029971701 654581415 /nfs/dbraw/zinc/58/14/15/654581415.db2.gz NNVHSAMXLWPOJZ-UHFFFAOYSA-N -1 3 383.813 2.685 20 5 GFBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000269469960 655010412 /nfs/dbraw/zinc/01/04/12/655010412.db2.gz KSGBMMALACFLIZ-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000158096664 655104923 /nfs/dbraw/zinc/10/49/23/655104923.db2.gz UKPCBEHJILKTQQ-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000119321300 655298743 /nfs/dbraw/zinc/29/87/43/655298743.db2.gz BERUXCIJGZCYDU-PSLIRLAXSA-N -1 3 388.804 2.788 20 5 GFBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000121001369 655347113 /nfs/dbraw/zinc/34/71/13/655347113.db2.gz GXKWITBWMAWBFR-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000292670677 655353084 /nfs/dbraw/zinc/35/30/84/655353084.db2.gz AZTXDDPIHDHJGF-SNVBAGLBSA-N -1 3 381.357 2.942 20 5 GFBDHM Cc1nc(C)c(CC(=O)OCc2cccc([N+](=O)[O-])c2Br)c(=O)[n-]1 ZINC000840204761 661146280 /nfs/dbraw/zinc/14/62/80/661146280.db2.gz UERVUUXMQVGJOP-UHFFFAOYSA-N -1 3 396.197 2.756 20 5 GFBDHM CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000725827411 655527397 /nfs/dbraw/zinc/52/73/97/655527397.db2.gz TUKWVGUHMYKOHH-UHFFFAOYSA-N -1 3 383.857 2.659 20 5 GFBDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000766578368 656176977 /nfs/dbraw/zinc/17/69/77/656176977.db2.gz VHQRDZALYCMGKV-ZCFIWIBFSA-N -1 3 391.165 2.977 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)Cc1ccccc1 ZINC000799829604 659233737 /nfs/dbraw/zinc/23/37/37/659233737.db2.gz FUZWSOPAJKEFAG-AWEZNQCLSA-N -1 3 384.841 2.520 20 5 GFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000815073151 660109625 /nfs/dbraw/zinc/10/96/25/660109625.db2.gz HLVYKYLZHLWZJK-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)ccc1Br ZINC000856747400 662040969 /nfs/dbraw/zinc/04/09/69/662040969.db2.gz ICTLUZJZCJQWQQ-SSDOTTSWSA-N -1 3 385.186 2.681 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000867845730 662581933 /nfs/dbraw/zinc/58/19/33/662581933.db2.gz HQXWSTFTRFICAZ-GHMZBOCLSA-N -1 3 380.344 2.779 20 5 GFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000121020944 551225259 /nfs/dbraw/zinc/22/52/59/551225259.db2.gz XRJLDVFNLFPQIE-UHFFFAOYSA-N -1 3 378.142 2.988 20 5 GFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000121020944 551225262 /nfs/dbraw/zinc/22/52/62/551225262.db2.gz XRJLDVFNLFPQIE-UHFFFAOYSA-N -1 3 378.142 2.988 20 5 GFBDHM Cc1nn(CCC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1[N+](=O)[O-] ZINC000151522856 551415357 /nfs/dbraw/zinc/41/53/57/551415357.db2.gz LURRRBPPWCUCEG-UHFFFAOYSA-N -1 3 397.229 2.583 20 5 GFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000155587884 551503423 /nfs/dbraw/zinc/50/34/23/551503423.db2.gz AEDSWAWHRCPWFR-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163213445 551617670 /nfs/dbraw/zinc/61/76/70/551617670.db2.gz GPPKRPRJNUXFOT-ONGXEEELSA-N -1 3 382.360 2.850 20 5 GFBDHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163356860 551619014 /nfs/dbraw/zinc/61/90/14/551619014.db2.gz NRRHRWSYTWAKNO-UHFFFAOYSA-N -1 3 383.392 2.624 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000187360205 552413380 /nfs/dbraw/zinc/41/33/80/552413380.db2.gz GZSVUXQPBDQQME-MRVPVSSYSA-N -1 3 375.403 2.547 20 5 GFBDHM O=C(Nc1cccc(I)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187542098 552418345 /nfs/dbraw/zinc/41/83/45/552418345.db2.gz KRKSAONOAYIDKF-UHFFFAOYSA-N -1 3 385.117 2.552 20 5 GFBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190057152 552486824 /nfs/dbraw/zinc/48/68/24/552486824.db2.gz GGVMXKCSYODKPX-NYOFJVTHSA-N -1 3 388.511 2.570 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000247037225 553117430 /nfs/dbraw/zinc/11/74/30/553117430.db2.gz MOWIWXJLOSSGNR-ICBMNTSNSA-N -1 3 388.511 2.570 20 5 GFBDHM CCc1ccccc1[C@@H](N)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420470836 563265237 /nfs/dbraw/zinc/26/52/37/563265237.db2.gz XWNYIJSGWMRSSU-AWEZNQCLSA-N -1 3 383.857 2.789 20 5 GFBDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000420737346 563280962 /nfs/dbraw/zinc/28/09/62/563280962.db2.gz MLKKAQCZUWKNKN-UHFFFAOYSA-N -1 3 384.435 2.538 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCc2nc(C)sc21 ZINC000373128261 563328878 /nfs/dbraw/zinc/32/88/78/563328878.db2.gz YOOCLFJMYGPIAY-GFCCVEGCSA-N -1 3 383.451 2.724 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301174727 563394988 /nfs/dbraw/zinc/39/49/88/563394988.db2.gz LDFOJWOYJCNKQE-UHFFFAOYSA-N -1 3 381.479 2.912 20 5 GFBDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000285712272 563533396 /nfs/dbraw/zinc/53/33/96/563533396.db2.gz TWSDLEYZISPGGU-ZJUUUORDSA-N -1 3 382.360 2.565 20 5 GFBDHM CSC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000435929507 563660939 /nfs/dbraw/zinc/66/09/39/563660939.db2.gz SDJQKRPEJDSKIB-UHFFFAOYSA-N -1 3 381.273 2.531 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])OCCc2sccc21 ZINC000290086188 563697467 /nfs/dbraw/zinc/69/74/67/563697467.db2.gz HJMOYEUZWKYNQC-INIZCTEOSA-N -1 3 382.463 2.564 20 5 GFBDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410893 563824622 /nfs/dbraw/zinc/82/46/22/563824622.db2.gz YGMXXOMYKUPZQC-ZYHUDNBSSA-N -1 3 382.360 2.850 20 5 GFBDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455216 563830733 /nfs/dbraw/zinc/83/07/33/563830733.db2.gz KDIPOEGOOQNNTP-JOYOIKCWSA-N -1 3 382.360 2.707 20 5 GFBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416470413 563833950 /nfs/dbraw/zinc/83/39/50/563833950.db2.gz HDWFPYAOYZBLSI-SNVBAGLBSA-N -1 3 382.360 2.850 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000416492880 563838601 /nfs/dbraw/zinc/83/86/01/563838601.db2.gz BQVZWLORSFCZQV-JTQLQIEISA-N -1 3 382.360 2.709 20 5 GFBDHM COC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000451817241 564355087 /nfs/dbraw/zinc/35/50/87/564355087.db2.gz ZACNNHQUHDBKDG-ZDUSSCGKSA-N -1 3 384.841 2.957 20 5 GFBDHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000543974842 564370433 /nfs/dbraw/zinc/37/04/33/564370433.db2.gz BOJISXDLDSWLGN-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000480703513 564483111 /nfs/dbraw/zinc/48/31/11/564483111.db2.gz ZRDWPDIGOWOGHT-JTQLQIEISA-N -1 3 383.392 2.622 20 5 GFBDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480720186 564484380 /nfs/dbraw/zinc/48/43/80/564484380.db2.gz IZKBXOFGYXGTSB-SNVBAGLBSA-N -1 3 378.834 2.647 20 5 GFBDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976628 564582126 /nfs/dbraw/zinc/58/21/26/564582126.db2.gz DCOFCHIMAITHPY-AWEZNQCLSA-N -1 3 383.857 2.829 20 5 GFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000486596654 564658268 /nfs/dbraw/zinc/65/82/68/564658268.db2.gz BXKMWVJKSKWXGB-BDAKNGLRSA-N -1 3 387.849 2.919 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000490750264 564781581 /nfs/dbraw/zinc/78/15/81/564781581.db2.gz HLXLRVFIKAAPPO-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(CC2CCCC2)C1 ZINC000462568089 564848459 /nfs/dbraw/zinc/84/84/59/564848459.db2.gz XRPDUWRSFQSREN-CQSZACIVSA-N -1 3 387.889 2.791 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000557110508 564854171 /nfs/dbraw/zinc/85/41/71/564854171.db2.gz IRXPRUFVQMDTLP-UHFFFAOYSA-N -1 3 382.360 2.709 20 5 GFBDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462709550 564856453 /nfs/dbraw/zinc/85/64/53/564856453.db2.gz UYKHTMDFPQDFLG-OLZOCXBDSA-N -1 3 393.259 2.593 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000467069169 564955549 /nfs/dbraw/zinc/95/55/49/564955549.db2.gz JCFFTAJJFUZGBX-XQHREBAHSA-N -1 3 388.492 2.742 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCS1 ZINC000467775477 564971865 /nfs/dbraw/zinc/97/18/65/564971865.db2.gz NFAKVKWYDLSDOK-GFCCVEGCSA-N -1 3 395.300 2.921 20 5 GFBDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000537017959 565051088 /nfs/dbraw/zinc/05/10/88/565051088.db2.gz ZWPMLTCWUHLROD-SKDRFNHKSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1c(F)cccc1SC ZINC000586769590 565114698 /nfs/dbraw/zinc/11/46/98/565114698.db2.gz RMNNHZXPHSEGLO-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)cc1[N+](=O)[O-] ZINC000589927915 565173457 /nfs/dbraw/zinc/17/34/57/565173457.db2.gz RRBUTRNKEOHJMR-UHFFFAOYSA-N -1 3 394.381 2.643 20 5 GFBDHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082512 565254430 /nfs/dbraw/zinc/25/44/30/565254430.db2.gz IRLSKLZAIKRQEQ-VHSXEESVSA-N -1 3 384.376 2.689 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487956 565396162 /nfs/dbraw/zinc/39/61/62/565396162.db2.gz OYNHKEZVAZOGRK-YPMHNXCESA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594489267 565397026 /nfs/dbraw/zinc/39/70/26/565397026.db2.gz NQHXKWRWFHUZGN-NSHDSACASA-N -1 3 378.472 2.609 20 5 GFBDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853320 565430578 /nfs/dbraw/zinc/43/05/78/565430578.db2.gz XLSZDHQYMACDDG-JOYOIKCWSA-N -1 3 393.259 2.593 20 5 GFBDHM CCSC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000595348438 565465897 /nfs/dbraw/zinc/46/58/97/565465897.db2.gz FLTJYNNBJCWDIJ-UHFFFAOYSA-N -1 3 395.300 2.921 20 5 GFBDHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000737238793 598881902 /nfs/dbraw/zinc/88/19/02/598881902.db2.gz UGQZZYFXELSXDR-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000737238793 598881903 /nfs/dbraw/zinc/88/19/03/598881903.db2.gz UGQZZYFXELSXDR-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM CC(C)(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735583342 598903398 /nfs/dbraw/zinc/90/33/98/598903398.db2.gz VZCRNSYAGVUTEI-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM CC(C)(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735583342 598903400 /nfs/dbraw/zinc/90/34/00/598903400.db2.gz VZCRNSYAGVUTEI-UHFFFAOYSA-N -1 3 385.355 2.935 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737117464 599046886 /nfs/dbraw/zinc/04/68/86/599046886.db2.gz WAXKKOAWWYUIOB-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737117464 599046888 /nfs/dbraw/zinc/04/68/88/599046888.db2.gz WAXKKOAWWYUIOB-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821716703 599062297 /nfs/dbraw/zinc/06/22/97/599062297.db2.gz FQKWQJKEYFLXFO-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821716703 599062300 /nfs/dbraw/zinc/06/23/00/599062300.db2.gz FQKWQJKEYFLXFO-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c([N+](=O)[O-])c1 ZINC000737364701 599162399 /nfs/dbraw/zinc/16/23/99/599162399.db2.gz COKMFSYOWQZNGA-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000737364701 599162401 /nfs/dbraw/zinc/16/24/01/599162401.db2.gz COKMFSYOWQZNGA-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920446 607302113 /nfs/dbraw/zinc/30/21/13/607302113.db2.gz PZPWXOSCBXZXTO-CYBMUJFWSA-N -1 3 387.787 2.704 20 5 GFBDHM CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920446 607302114 /nfs/dbraw/zinc/30/21/14/607302114.db2.gz PZPWXOSCBXZXTO-CYBMUJFWSA-N -1 3 387.787 2.704 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cccc1-c1nnn[n-]1 ZINC000822107644 607322088 /nfs/dbraw/zinc/32/20/88/607322088.db2.gz AUMGGTQIUHAMBI-UHFFFAOYSA-N -1 3 397.351 2.861 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cccc1-c1nn[n-]n1 ZINC000822107644 607322089 /nfs/dbraw/zinc/32/20/89/607322089.db2.gz AUMGGTQIUHAMBI-UHFFFAOYSA-N -1 3 397.351 2.861 20 5 GFBDHM COc1ccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)c2c1 ZINC000821849805 607346558 /nfs/dbraw/zinc/34/65/58/607346558.db2.gz RAKXHKPVAHUTKA-UHFFFAOYSA-N -1 3 379.380 2.919 20 5 GFBDHM CC(C)(C)OC(=O)N(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000735623961 598455911 /nfs/dbraw/zinc/45/59/11/598455911.db2.gz OFJCNVOYYDCZBU-UHFFFAOYSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000735623961 598455912 /nfs/dbraw/zinc/45/59/12/598455912.db2.gz OFJCNVOYYDCZBU-UHFFFAOYSA-N -1 3 389.416 2.586 20 5 GFBDHM O=[N+]([O-])c1cnccc1Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738373289 598456846 /nfs/dbraw/zinc/45/68/46/598456846.db2.gz ACDDGFZKNMXISA-UHFFFAOYSA-N -1 3 389.375 2.914 20 5 GFBDHM O=[N+]([O-])c1cnccc1Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738373289 598456847 /nfs/dbraw/zinc/45/68/47/598456847.db2.gz ACDDGFZKNMXISA-UHFFFAOYSA-N -1 3 389.375 2.914 20 5 GFBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155061 598483987 /nfs/dbraw/zinc/48/39/87/598483987.db2.gz GODXSNCJKWBJMP-SNVBAGLBSA-N -1 3 387.327 2.597 20 5 GFBDHM C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155061 598483988 /nfs/dbraw/zinc/48/39/88/598483988.db2.gz GODXSNCJKWBJMP-SNVBAGLBSA-N -1 3 387.327 2.597 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2nnn[n-]2)c1 ZINC000738370189 598498538 /nfs/dbraw/zinc/49/85/38/598498538.db2.gz RKFZNNWYKDOZEO-LLVKDONJSA-N -1 3 392.379 2.695 20 5 GFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2nn[n-]n2)c1 ZINC000738370189 598498540 /nfs/dbraw/zinc/49/85/40/598498540.db2.gz RKFZNNWYKDOZEO-LLVKDONJSA-N -1 3 392.379 2.695 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(F)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000738358269 598602373 /nfs/dbraw/zinc/60/23/73/598602373.db2.gz DLNQBNDMBJUFIL-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(F)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000738358269 598602375 /nfs/dbraw/zinc/60/23/75/598602375.db2.gz DLNQBNDMBJUFIL-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM COc1ccc2cc(CN(C)c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2c1 ZINC000821853920 599316469 /nfs/dbraw/zinc/31/64/69/599316469.db2.gz CWPLEMBXMHWVSS-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM COc1ccc2cc(CN(C)c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2c1 ZINC000821853920 599316472 /nfs/dbraw/zinc/31/64/72/599316472.db2.gz CWPLEMBXMHWVSS-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000821733069 607370957 /nfs/dbraw/zinc/37/09/57/607370957.db2.gz ZKROFEKOBXJWJX-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000821733069 607370958 /nfs/dbraw/zinc/37/09/58/607370958.db2.gz ZKROFEKOBXJWJX-UHFFFAOYSA-N -1 3 392.322 2.997 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3[N+](=O)[O-])cc(-c3nnn[n-]3)c2c1 ZINC000823645941 599481847 /nfs/dbraw/zinc/48/18/47/599481847.db2.gz XDPRJCKOKILICR-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccccc3[N+](=O)[O-])cc(-c3nn[n-]n3)c2c1 ZINC000823645941 599481849 /nfs/dbraw/zinc/48/18/49/599481849.db2.gz XDPRJCKOKILICR-UHFFFAOYSA-N -1 3 392.335 2.843 20 5 GFBDHM O=C1CCCN1C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530754 599578147 /nfs/dbraw/zinc/57/81/47/599578147.db2.gz QVHBWQLOFHQESP-INIZCTEOSA-N -1 3 393.407 2.551 20 5 GFBDHM O=C1CCCN1C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530754 599578151 /nfs/dbraw/zinc/57/81/51/599578151.db2.gz QVHBWQLOFHQESP-INIZCTEOSA-N -1 3 393.407 2.551 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1[N+](=O)[O-] ZINC000821310153 607408359 /nfs/dbraw/zinc/40/83/59/607408359.db2.gz XLRJVZIPGBUPTK-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CCNc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821310153 607408360 /nfs/dbraw/zinc/40/83/60/607408360.db2.gz XLRJVZIPGBUPTK-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CCOc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000825632582 607416005 /nfs/dbraw/zinc/41/60/05/607416005.db2.gz XENMLDNYMUVKFN-UHFFFAOYSA-N -1 3 394.391 2.593 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000826254014 607413031 /nfs/dbraw/zinc/41/30/31/607413031.db2.gz PQMWLPMLXNBQSP-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000826254014 607413032 /nfs/dbraw/zinc/41/30/32/607413032.db2.gz PQMWLPMLXNBQSP-UHFFFAOYSA-N -1 3 385.405 2.919 20 5 GFBDHM CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825632582 607416007 /nfs/dbraw/zinc/41/60/07/607416007.db2.gz XENMLDNYMUVKFN-UHFFFAOYSA-N -1 3 394.391 2.593 20 5 GFBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045022 601656606 /nfs/dbraw/zinc/65/66/06/601656606.db2.gz OQEQUTMKZIHBFY-DJJJIMSYSA-N -1 3 383.404 2.536 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826292029 607525334 /nfs/dbraw/zinc/52/53/34/607525334.db2.gz FVAFLJAMZOEIAW-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826292029 607525336 /nfs/dbraw/zinc/52/53/36/607525336.db2.gz FVAFLJAMZOEIAW-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM COc1ccc(F)cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826209081 607525434 /nfs/dbraw/zinc/52/54/34/607525434.db2.gz LWJQELCHPRIBNX-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1ccc(F)cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826209081 607525437 /nfs/dbraw/zinc/52/54/37/607525437.db2.gz LWJQELCHPRIBNX-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826292164 607580594 /nfs/dbraw/zinc/58/05/94/607580594.db2.gz KNUKFIDQKSHNKO-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833498070 605020805 /nfs/dbraw/zinc/02/08/05/605020805.db2.gz CDXBNZWNAHAIBZ-UHFFFAOYSA-N -1 3 395.481 2.718 20 5 GFBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623062 606242400 /nfs/dbraw/zinc/24/24/00/606242400.db2.gz DGXGCEUIYNJSBT-QAPCUYQASA-N -1 3 383.412 2.676 20 5 GFBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623062 606242401 /nfs/dbraw/zinc/24/24/01/606242401.db2.gz DGXGCEUIYNJSBT-QAPCUYQASA-N -1 3 383.412 2.676 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822270877 606378858 /nfs/dbraw/zinc/37/88/58/606378858.db2.gz BFMJYQYNKSPSMJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822270877 606378859 /nfs/dbraw/zinc/37/88/59/606378859.db2.gz BFMJYQYNKSPSMJ-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000823630272 606403281 /nfs/dbraw/zinc/40/32/81/606403281.db2.gz VCNDBIQHFFRSAX-UHFFFAOYSA-N -1 3 399.377 2.851 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000823630272 606403283 /nfs/dbraw/zinc/40/32/83/606403283.db2.gz VCNDBIQHFFRSAX-UHFFFAOYSA-N -1 3 399.377 2.851 20 5 GFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000820926750 606419371 /nfs/dbraw/zinc/41/93/71/606419371.db2.gz WBGUXXQNAWNRLJ-CZUORRHYSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000820926750 606419373 /nfs/dbraw/zinc/41/93/73/606419373.db2.gz WBGUXXQNAWNRLJ-CZUORRHYSA-N -1 3 390.350 2.977 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823414322 606561022 /nfs/dbraw/zinc/56/10/22/606561022.db2.gz UIVMKMUFNWZJMQ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823414322 606561024 /nfs/dbraw/zinc/56/10/24/606561024.db2.gz UIVMKMUFNWZJMQ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM COCCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821688349 606726564 /nfs/dbraw/zinc/72/65/64/606726564.db2.gz IGPXSPUIOQVHLI-UHFFFAOYSA-N -1 3 399.411 2.506 20 5 GFBDHM COCCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821688349 606726566 /nfs/dbraw/zinc/72/65/66/606726566.db2.gz IGPXSPUIOQVHLI-UHFFFAOYSA-N -1 3 399.411 2.506 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000823640050 606801679 /nfs/dbraw/zinc/80/16/79/606801679.db2.gz QJURBZZADUHRGU-UHFFFAOYSA-N -1 3 375.732 2.949 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000823640050 606801681 /nfs/dbraw/zinc/80/16/81/606801681.db2.gz QJURBZZADUHRGU-UHFFFAOYSA-N -1 3 375.732 2.949 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823440046 606902026 /nfs/dbraw/zinc/90/20/26/606902026.db2.gz AFKVGRGKUFGDQS-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823440046 606902027 /nfs/dbraw/zinc/90/20/27/606902027.db2.gz AFKVGRGKUFGDQS-UHFFFAOYSA-N -1 3 382.311 2.524 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822213159 606948240 /nfs/dbraw/zinc/94/82/40/606948240.db2.gz WZEABKSTKXKSDZ-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822213159 606948241 /nfs/dbraw/zinc/94/82/41/606948241.db2.gz WZEABKSTKXKSDZ-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823426663 606996482 /nfs/dbraw/zinc/99/64/82/606996482.db2.gz NHEDCFVQDZJRQG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823426663 606996483 /nfs/dbraw/zinc/99/64/83/606996483.db2.gz NHEDCFVQDZJRQG-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM CCn1c(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000821565260 607036802 /nfs/dbraw/zinc/03/68/02/607036802.db2.gz LMNANZGQDMJMSY-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CCn1c(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000821565260 607036804 /nfs/dbraw/zinc/03/68/04/607036804.db2.gz LMNANZGQDMJMSY-UHFFFAOYSA-N -1 3 395.408 2.600 20 5 GFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820001532 607235559 /nfs/dbraw/zinc/23/55/59/607235559.db2.gz RFOISGHZWWVPEE-UHFFFAOYSA-N -1 3 386.343 2.710 20 5 GFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820001532 607235560 /nfs/dbraw/zinc/23/55/60/607235560.db2.gz RFOISGHZWWVPEE-UHFFFAOYSA-N -1 3 386.343 2.710 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822271065 607235698 /nfs/dbraw/zinc/23/56/98/607235698.db2.gz KZAKYRWLURWDDY-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822271065 607235699 /nfs/dbraw/zinc/23/56/99/607235699.db2.gz KZAKYRWLURWDDY-UHFFFAOYSA-N -1 3 382.380 2.879 20 5 GFBDHM O=C1[C@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478317 607817241 /nfs/dbraw/zinc/81/72/41/607817241.db2.gz YYZBEAMDZQREOM-MRXNPFEDSA-N -1 3 396.432 2.814 20 5 GFBDHM O=C1[C@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478317 607817242 /nfs/dbraw/zinc/81/72/42/607817242.db2.gz YYZBEAMDZQREOM-MRXNPFEDSA-N -1 3 396.432 2.814 20 5 GFBDHM Cc1ccc(C)c(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000826284911 607870259 /nfs/dbraw/zinc/87/02/59/607870259.db2.gz JULTYAYGOFAWDO-HNNXBMFYSA-N -1 3 399.407 2.519 20 5 GFBDHM Cc1ccc(C)c(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000826284911 607870260 /nfs/dbraw/zinc/87/02/60/607870260.db2.gz JULTYAYGOFAWDO-HNNXBMFYSA-N -1 3 399.407 2.519 20 5 GFBDHM Cn1cc(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000826356436 607966753 /nfs/dbraw/zinc/96/67/53/607966753.db2.gz QMVROIHDKOFQGS-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM Cn1cc(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000826356436 607966754 /nfs/dbraw/zinc/96/67/54/607966754.db2.gz QMVROIHDKOFQGS-UHFFFAOYSA-N -1 3 376.380 2.788 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826421630 607979965 /nfs/dbraw/zinc/97/99/65/607979965.db2.gz REFVCXMQAMAUTN-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826421630 607979966 /nfs/dbraw/zinc/97/99/66/607979966.db2.gz REFVCXMQAMAUTN-UHFFFAOYSA-N -1 3 396.338 2.681 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000826497696 608099061 /nfs/dbraw/zinc/09/90/61/608099061.db2.gz QJNIAOYQGLTGLE-CYBMUJFWSA-N -1 3 383.387 2.995 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000826497696 608099062 /nfs/dbraw/zinc/09/90/62/608099062.db2.gz QJNIAOYQGLTGLE-CYBMUJFWSA-N -1 3 383.387 2.995 20 5 GFBDHM CC(=CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943768 608142269 /nfs/dbraw/zinc/14/22/69/608142269.db2.gz SOSUYZGYCDBJMO-OUKQBFOZSA-N -1 3 395.375 2.800 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc2c(n1)CCCC2 ZINC000826451220 608162158 /nfs/dbraw/zinc/16/21/58/608162158.db2.gz WGEWPJSHRSTKPV-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(n1)CCCC2 ZINC000826451220 608162160 /nfs/dbraw/zinc/16/21/60/608162160.db2.gz WGEWPJSHRSTKPV-UHFFFAOYSA-N -1 3 399.798 2.954 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826172156 608349911 /nfs/dbraw/zinc/34/99/11/608349911.db2.gz PPQHXURTPNRDST-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826172156 608349913 /nfs/dbraw/zinc/34/99/13/608349913.db2.gz PPQHXURTPNRDST-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000826176219 608384963 /nfs/dbraw/zinc/38/49/63/608384963.db2.gz GWEXJLZDYJDKEM-UHFFFAOYSA-N -1 3 396.407 2.533 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000826176219 608384965 /nfs/dbraw/zinc/38/49/65/608384965.db2.gz GWEXJLZDYJDKEM-UHFFFAOYSA-N -1 3 396.407 2.533 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824489588 608424440 /nfs/dbraw/zinc/42/44/40/608424440.db2.gz LXIQWFFOCXNYQK-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824489588 608424441 /nfs/dbraw/zinc/42/44/41/608424441.db2.gz LXIQWFFOCXNYQK-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1[N+](=O)[O-] ZINC000826268237 608451160 /nfs/dbraw/zinc/45/11/60/608451160.db2.gz PFJPYLDOPKIXDN-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1[N+](=O)[O-] ZINC000826268237 608451163 /nfs/dbraw/zinc/45/11/63/608451163.db2.gz PFJPYLDOPKIXDN-UHFFFAOYSA-N -1 3 375.291 2.719 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826185491 608479237 /nfs/dbraw/zinc/47/92/37/608479237.db2.gz LILCCJUMOSUWKL-SNVBAGLBSA-N -1 3 383.368 2.666 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826185491 608479238 /nfs/dbraw/zinc/47/92/38/608479238.db2.gz LILCCJUMOSUWKL-SNVBAGLBSA-N -1 3 383.368 2.666 20 5 GFBDHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826270249 609244846 /nfs/dbraw/zinc/24/48/46/609244846.db2.gz ROMZBTOAUAOVLL-UHFFFAOYSA-N -1 3 384.421 2.955 20 5 GFBDHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826270249 609244848 /nfs/dbraw/zinc/24/48/48/609244848.db2.gz ROMZBTOAUAOVLL-UHFFFAOYSA-N -1 3 384.421 2.955 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826278667 609450572 /nfs/dbraw/zinc/45/05/72/609450572.db2.gz NOZDCRXPQJCUFB-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000826278667 609450574 /nfs/dbraw/zinc/45/05/74/609450574.db2.gz NOZDCRXPQJCUFB-UHFFFAOYSA-N -1 3 390.306 2.937 20 5 GFBDHM COC(=O)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000825945413 660446234 /nfs/dbraw/zinc/44/62/34/660446234.db2.gz OBVJKSKHSCQTOU-UHFFFAOYSA-N -1 3 384.801 2.766 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000151575295 655052671 /nfs/dbraw/zinc/05/26/71/655052671.db2.gz ZCYPILCYEIGQEE-UHFFFAOYSA-N -1 3 399.172 2.897 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175649233 655225003 /nfs/dbraw/zinc/22/50/03/655225003.db2.gz IIYPMWFMUIHBEJ-FNIMQGLVSA-N -1 3 394.902 2.606 20 5 GFBDHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000841506913 661278589 /nfs/dbraw/zinc/27/85/89/661278589.db2.gz KQTQTUJWDURPNG-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)c1 ZINC000779905356 656961460 /nfs/dbraw/zinc/96/14/60/656961460.db2.gz TUXVZXIFBKRAGC-JTQLQIEISA-N -1 3 390.845 2.709 20 5 GFBDHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000790645252 658007221 /nfs/dbraw/zinc/00/72/21/658007221.db2.gz PGRXBKNFZRQMDX-UHFFFAOYSA-N -1 3 378.334 2.522 20 5 GFBDHM COCCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000795289083 658800964 /nfs/dbraw/zinc/80/09/64/658800964.db2.gz GKDCPJDPMSCYOD-UHFFFAOYSA-N -1 3 393.259 2.595 20 5 GFBDHM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000796105323 658892374 /nfs/dbraw/zinc/89/23/74/658892374.db2.gz QKGPDOSONFCIKE-ZBEGNZNMSA-N -1 3 384.841 2.957 20 5 GFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000813744162 660062770 /nfs/dbraw/zinc/06/27/70/660062770.db2.gz BYHBEEFZZDFXJD-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815013716 660101462 /nfs/dbraw/zinc/10/14/62/660101462.db2.gz XVBLVQLMEZGRNY-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@](C)(O)c1ccccc1 ZINC000845982871 661518027 /nfs/dbraw/zinc/51/80/27/661518027.db2.gz UUGXPFPWTCSIDW-MEDUHNTESA-N -1 3 384.841 2.823 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000848508118 661658180 /nfs/dbraw/zinc/65/81/80/661658180.db2.gz HTQZZODFDTWYBR-QWHCGFSZSA-N -1 3 391.852 2.683 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000849370264 661710101 /nfs/dbraw/zinc/71/01/01/661710101.db2.gz WOGKYCLIXZQOIQ-QMMMGPOBSA-N -1 3 376.221 2.615 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000859347461 662155051 /nfs/dbraw/zinc/15/50/51/662155051.db2.gz QDRMBFNNSNAHSP-NSHDSACASA-N -1 3 391.852 2.683 20 5 GFBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000123376802 551305910 /nfs/dbraw/zinc/30/59/10/551305910.db2.gz IFIPYMAEWDSSQU-CYBMUJFWSA-N -1 3 387.483 2.919 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000151602662 551417572 /nfs/dbraw/zinc/41/75/72/551417572.db2.gz AWJZWMOZQLCJFK-UHFFFAOYSA-N -1 3 381.182 2.758 20 5 GFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163060366 551615427 /nfs/dbraw/zinc/61/54/27/551615427.db2.gz WGBZKRIUPGZOCV-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000172286029 551675054 /nfs/dbraw/zinc/67/50/54/551675054.db2.gz SOZHTCLHGHSCCE-UHFFFAOYSA-N -1 3 382.825 2.704 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000173539554 552087611 /nfs/dbraw/zinc/08/76/11/552087611.db2.gz PEKNHGVAQCUOGX-KGLIPLIRSA-N -1 3 384.845 2.907 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000175862550 552130381 /nfs/dbraw/zinc/13/03/81/552130381.db2.gz HMYHEOKZFIXMPR-ZDUSSCGKSA-N -1 3 381.841 2.805 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000246698712 553112054 /nfs/dbraw/zinc/11/20/54/553112054.db2.gz NBHXSKGKMYJAAT-KCPJHIHWSA-N -1 3 386.857 2.874 20 5 GFBDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028644 563872642 /nfs/dbraw/zinc/87/26/42/563872642.db2.gz IVIQJESPGQBWKI-MWLCHTKSSA-N -1 3 393.259 2.593 20 5 GFBDHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538672 563216161 /nfs/dbraw/zinc/21/61/61/563216161.db2.gz DMFWFSAWDWGKIQ-QMTHXVAHSA-N -1 3 387.508 2.689 20 5 GFBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cccc([N+](=O)[O-])c1Br ZINC000370104277 563233236 /nfs/dbraw/zinc/23/32/36/563233236.db2.gz HZZVTSYVQLZHHY-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000375113853 563391028 /nfs/dbraw/zinc/39/10/28/563391028.db2.gz OMYLBUQHSJJPOA-UHFFFAOYSA-N -1 3 384.845 2.568 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000416366939 563818227 /nfs/dbraw/zinc/81/82/27/563818227.db2.gz DKFGPXCJJYNRSK-GFCCVEGCSA-N -1 3 384.435 2.873 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000444280914 563827018 /nfs/dbraw/zinc/82/70/18/563827018.db2.gz UVNAEVNHJJHNMI-LBPRGKRZSA-N -1 3 381.479 2.552 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000416456127 563831507 /nfs/dbraw/zinc/83/15/07/563831507.db2.gz LRYXIHHDQFMJNG-SKDRFNHKSA-N -1 3 382.360 2.850 20 5 GFBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416495834 563838688 /nfs/dbraw/zinc/83/86/88/563838688.db2.gz NSRKLAYWVOVPFI-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416579937 563850565 /nfs/dbraw/zinc/85/05/65/563850565.db2.gz PGQPTDNLSLVDQZ-CJNGLKHVSA-N -1 3 382.825 2.839 20 5 GFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000542930241 564332617 /nfs/dbraw/zinc/33/26/17/564332617.db2.gz UTTINXLMBKFALR-UHFFFAOYSA-N -1 3 378.284 2.862 20 5 GFBDHM COc1ncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1Cl ZINC000451788722 564351639 /nfs/dbraw/zinc/35/16/39/564351639.db2.gz LBKFRIHKKNMMTN-UHFFFAOYSA-N -1 3 385.829 2.747 20 5 GFBDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000478767199 564414588 /nfs/dbraw/zinc/41/45/88/564414588.db2.gz YKCLMSXBXSUWMM-HNNXBMFYSA-N -1 3 392.861 2.894 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c([N+](=O)[O-])c1 ZINC000480189135 564462106 /nfs/dbraw/zinc/46/21/06/564462106.db2.gz AQZUMDUKCIYCLY-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(Br)c1 ZINC000521654884 564632975 /nfs/dbraw/zinc/63/29/75/564632975.db2.gz BZNJFRSWHNBLDH-VIFPVBQESA-N -1 3 395.300 2.779 20 5 GFBDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000551170470 564640380 /nfs/dbraw/zinc/64/03/80/564640380.db2.gz TVZTVCRCGLKIHH-HSZRJFAPSA-N -1 3 388.854 2.928 20 5 GFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486636429 564660237 /nfs/dbraw/zinc/66/02/37/564660237.db2.gz FDFKPWQSWVTCMN-RKDXNWHRSA-N -1 3 387.849 2.919 20 5 GFBDHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486636429 564660240 /nfs/dbraw/zinc/66/02/40/564660240.db2.gz FDFKPWQSWVTCMN-RKDXNWHRSA-N -1 3 387.849 2.919 20 5 GFBDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882817 564703494 /nfs/dbraw/zinc/70/34/94/564703494.db2.gz AYYOTHUQQYKVRC-RYUDHWBXSA-N -1 3 375.878 2.789 20 5 GFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(N)ccc2O1 ZINC000577109946 564725666 /nfs/dbraw/zinc/72/56/66/564725666.db2.gz NOAUEOXDHIIRMC-LLVKDONJSA-N -1 3 383.451 2.819 20 5 GFBDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000490436902 564770604 /nfs/dbraw/zinc/77/06/04/564770604.db2.gz MWCOFZGWJWMDTC-UHFFFAOYSA-N -1 3 390.874 2.744 20 5 GFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000581239112 564794421 /nfs/dbraw/zinc/79/44/21/564794421.db2.gz OSYOXODPCGYKLY-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000494326008 564824692 /nfs/dbraw/zinc/82/46/92/564824692.db2.gz GLASSFFXDKCBTG-LBPRGKRZSA-N -1 3 390.483 2.755 20 5 GFBDHM O=C([N-]c1nc(CN2CCOCC2)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497664819 564872933 /nfs/dbraw/zinc/87/29/33/564872933.db2.gz RLYTZNNLEVKPIS-UHFFFAOYSA-N -1 3 382.829 2.789 20 5 GFBDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000467062496 564954564 /nfs/dbraw/zinc/95/45/64/564954564.db2.gz ZDGVRAGIPQBJOG-GFCCVEGCSA-N -1 3 390.483 2.755 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467079586 564954938 /nfs/dbraw/zinc/95/49/38/564954938.db2.gz PQZOCYWUDISPDM-LBPRGKRZSA-N -1 3 378.472 2.609 20 5 GFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000501002535 564967719 /nfs/dbraw/zinc/96/77/19/564967719.db2.gz UNNCEHQUTMOWRT-AWEZNQCLSA-N -1 3 382.825 2.844 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000590551332 565191962 /nfs/dbraw/zinc/19/19/62/565191962.db2.gz UWSLDUXZFABPKB-LLVKDONJSA-N -1 3 383.451 2.579 20 5 GFBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591327540 565224154 /nfs/dbraw/zinc/22/41/54/565224154.db2.gz OXLRUYNVQMFYHJ-RKDXNWHRSA-N -1 3 382.360 2.848 20 5 GFBDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853321 565430626 /nfs/dbraw/zinc/43/06/26/565430626.db2.gz XLSZDHQYMACDDG-SKDRFNHKSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000612678954 566169808 /nfs/dbraw/zinc/16/98/08/566169808.db2.gz QYPOEQDVPJOHEQ-UHFFFAOYSA-N -1 3 378.303 2.771 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738055224 598906762 /nfs/dbraw/zinc/90/67/62/598906762.db2.gz VZIRZLYCMAYUOZ-UHFFFAOYSA-N -1 3 395.423 2.597 20 5 GFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738055224 598906764 /nfs/dbraw/zinc/90/67/64/598906764.db2.gz VZIRZLYCMAYUOZ-UHFFFAOYSA-N -1 3 395.423 2.597 20 5 GFBDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737096205 599046449 /nfs/dbraw/zinc/04/64/49/599046449.db2.gz SETDILIUGUDQOH-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737096205 599046451 /nfs/dbraw/zinc/04/64/51/599046451.db2.gz SETDILIUGUDQOH-UHFFFAOYSA-N -1 3 395.301 2.809 20 5 GFBDHM CCOC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821321157 599050600 /nfs/dbraw/zinc/05/06/00/599050600.db2.gz UYPNIQPCUSVILE-OAHLLOKOSA-N -1 3 382.380 2.534 20 5 GFBDHM CCOC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821321157 599050602 /nfs/dbraw/zinc/05/06/02/599050602.db2.gz UYPNIQPCUSVILE-OAHLLOKOSA-N -1 3 382.380 2.534 20 5 GFBDHM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000735708707 599062454 /nfs/dbraw/zinc/06/24/54/599062454.db2.gz NZTWOHLRJUWQOQ-CYBMUJFWSA-N -1 3 391.432 2.736 20 5 GFBDHM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000735708707 599062457 /nfs/dbraw/zinc/06/24/57/599062457.db2.gz NZTWOHLRJUWQOQ-CYBMUJFWSA-N -1 3 391.432 2.736 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368340 599063967 /nfs/dbraw/zinc/06/39/67/599063967.db2.gz CMVCRNLMFWFBOO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368340 599063970 /nfs/dbraw/zinc/06/39/70/599063970.db2.gz CMVCRNLMFWFBOO-UHFFFAOYSA-N -1 3 384.371 2.962 20 5 GFBDHM CC(C)(C)OC(=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000819928473 599094564 /nfs/dbraw/zinc/09/45/64/599094564.db2.gz QHYZJIQPDKWNON-UHFFFAOYSA-N -1 3 397.395 2.798 20 5 GFBDHM CC(C)(C)OC(=O)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000819928473 599094567 /nfs/dbraw/zinc/09/45/67/599094567.db2.gz QHYZJIQPDKWNON-UHFFFAOYSA-N -1 3 397.395 2.798 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000823639513 599154278 /nfs/dbraw/zinc/15/42/78/599154278.db2.gz BSOBEOUEMOYDQH-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000823639513 599154281 /nfs/dbraw/zinc/15/42/81/599154281.db2.gz BSOBEOUEMOYDQH-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)C3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645526 607327719 /nfs/dbraw/zinc/32/77/19/607327719.db2.gz SVTOGLDFBGFMLO-MRXNPFEDSA-N -1 3 383.412 2.676 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@H](CO)C3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645526 607327720 /nfs/dbraw/zinc/32/77/20/607327720.db2.gz SVTOGLDFBGFMLO-MRXNPFEDSA-N -1 3 383.412 2.676 20 5 GFBDHM CN(Cc1ccc(Br)o1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821609780 607346255 /nfs/dbraw/zinc/34/62/55/607346255.db2.gz LMMATAVLVPJPQO-UHFFFAOYSA-N -1 3 379.174 2.767 20 5 GFBDHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000736637809 598309216 /nfs/dbraw/zinc/30/92/16/598309216.db2.gz QTEORTVXTCGPIZ-UHFFFAOYSA-N -1 3 386.343 2.589 20 5 GFBDHM CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000736637809 598309218 /nfs/dbraw/zinc/30/92/18/598309218.db2.gz QTEORTVXTCGPIZ-UHFFFAOYSA-N -1 3 386.343 2.589 20 5 GFBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000736894318 598387538 /nfs/dbraw/zinc/38/75/38/598387538.db2.gz URZITYHZQIPSRQ-AWEZNQCLSA-N -1 3 396.407 2.527 20 5 GFBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000736894318 598387539 /nfs/dbraw/zinc/38/75/39/598387539.db2.gz URZITYHZQIPSRQ-AWEZNQCLSA-N -1 3 396.407 2.527 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000738370396 598467898 /nfs/dbraw/zinc/46/78/98/598467898.db2.gz PPORFBFMIKKTFC-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000738370396 598467899 /nfs/dbraw/zinc/46/78/99/598467899.db2.gz PPORFBFMIKKTFC-CQSZACIVSA-N -1 3 394.313 2.939 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738320153 598493691 /nfs/dbraw/zinc/49/36/91/598493691.db2.gz RRRQGZVCXZJZQD-WQLSENKSSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738320153 598493692 /nfs/dbraw/zinc/49/36/92/598493692.db2.gz RRRQGZVCXZJZQD-WQLSENKSSA-N -1 3 396.750 2.773 20 5 GFBDHM CC(C)(C)c1ccccc1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735652361 598537547 /nfs/dbraw/zinc/53/75/47/598537547.db2.gz HQLXJHHNOSNBBZ-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM CC(C)(C)c1ccccc1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735652361 598537549 /nfs/dbraw/zinc/53/75/49/598537549.db2.gz HQLXJHHNOSNBBZ-UHFFFAOYSA-N -1 3 383.412 2.958 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738375361 598678961 /nfs/dbraw/zinc/67/89/61/598678961.db2.gz YWVYCXOXXWEUDF-GFCCVEGCSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738375361 598678963 /nfs/dbraw/zinc/67/89/63/598678963.db2.gz YWVYCXOXXWEUDF-GFCCVEGCSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1c(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc2ccccn21 ZINC000738358832 598815915 /nfs/dbraw/zinc/81/59/15/598815915.db2.gz PDJZJSOENHLWRC-UHFFFAOYSA-N -1 3 376.380 2.592 20 5 GFBDHM O=[N+]([O-])c1c(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc2ccccn21 ZINC000738358832 598815917 /nfs/dbraw/zinc/81/59/17/598815917.db2.gz PDJZJSOENHLWRC-UHFFFAOYSA-N -1 3 376.380 2.592 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193939 599306569 /nfs/dbraw/zinc/30/65/69/599306569.db2.gz VEUQAYDYKSVMFV-LLVKDONJSA-N -1 3 384.421 2.919 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193939 599306572 /nfs/dbraw/zinc/30/65/72/599306572.db2.gz VEUQAYDYKSVMFV-LLVKDONJSA-N -1 3 384.421 2.919 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351610 599422458 /nfs/dbraw/zinc/42/24/58/599422458.db2.gz QAEZLMRIKGUMCW-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351610 599422460 /nfs/dbraw/zinc/42/24/60/599422460.db2.gz QAEZLMRIKGUMCW-VXGBXAGGSA-N -1 3 381.396 2.896 20 5 GFBDHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171292 601013674 /nfs/dbraw/zinc/01/36/74/601013674.db2.gz NJQIHBBRQKKTHF-CJNGLKHVSA-N -1 3 376.800 2.955 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC1(Cl)Cl ZINC000826450241 607525165 /nfs/dbraw/zinc/52/51/65/607525165.db2.gz CJAZBEOXOCKOIO-YFKPBYRVSA-N -1 3 377.575 2.561 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC1(Cl)Cl ZINC000826450241 607525166 /nfs/dbraw/zinc/52/51/66/607525166.db2.gz CJAZBEOXOCKOIO-YFKPBYRVSA-N -1 3 377.575 2.561 20 5 GFBDHM C[C@@H]1CN(CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000828449346 604775954 /nfs/dbraw/zinc/77/59/54/604775954.db2.gz KLDCXIWANLQWAG-VXGBXAGGSA-N -1 3 396.400 2.503 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000821702354 606172029 /nfs/dbraw/zinc/17/20/29/606172029.db2.gz QOKXBVQQOWEGOV-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000821702354 606172030 /nfs/dbraw/zinc/17/20/30/606172030.db2.gz QOKXBVQQOWEGOV-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM O=C1[C@H](Sc2cccc(-c3nnn[n-]3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513481 606326026 /nfs/dbraw/zinc/32/60/26/606326026.db2.gz UMCHAGNVKMQAME-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@H](Sc2cccc(-c3nn[n-]n3)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513481 606326028 /nfs/dbraw/zinc/32/60/28/606326028.db2.gz UMCHAGNVKMQAME-OAHLLOKOSA-N -1 3 382.405 2.673 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228809 606449165 /nfs/dbraw/zinc/44/91/65/606449165.db2.gz GBALGRHZKKBSPU-QWHCGFSZSA-N -1 3 396.407 2.728 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228809 606449167 /nfs/dbraw/zinc/44/91/67/606449167.db2.gz GBALGRHZKKBSPU-QWHCGFSZSA-N -1 3 396.407 2.728 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822982661 606664626 /nfs/dbraw/zinc/66/46/26/606664626.db2.gz GELWGYWXSAEWJH-UHFFFAOYSA-N -1 3 384.421 2.896 20 5 GFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822982661 606664627 /nfs/dbraw/zinc/66/46/27/606664627.db2.gz GELWGYWXSAEWJH-UHFFFAOYSA-N -1 3 384.421 2.896 20 5 GFBDHM O=[N+]([O-])c1ccc(F)c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823639916 606700846 /nfs/dbraw/zinc/70/08/46/606700846.db2.gz LWEMGOKEGGGHBB-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc(F)c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823639916 606700848 /nfs/dbraw/zinc/70/08/48/606700848.db2.gz LWEMGOKEGGGHBB-UHFFFAOYSA-N -1 3 382.315 2.576 20 5 GFBDHM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821638651 606757205 /nfs/dbraw/zinc/75/72/05/606757205.db2.gz FDUXASJIJLROTO-CYBMUJFWSA-N -1 3 396.407 2.591 20 5 GFBDHM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821638651 606757206 /nfs/dbraw/zinc/75/72/06/606757206.db2.gz FDUXASJIJLROTO-CYBMUJFWSA-N -1 3 396.407 2.591 20 5 GFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607583 606850779 /nfs/dbraw/zinc/85/07/79/606850779.db2.gz VCJCGIQPVZPBNB-MRXNPFEDSA-N -1 3 388.815 2.594 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823422408 606999068 /nfs/dbraw/zinc/99/90/68/606999068.db2.gz UGTVZANVUZBOOS-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823422408 606999069 /nfs/dbraw/zinc/99/90/69/606999069.db2.gz UGTVZANVUZBOOS-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOC4(CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645913 607133566 /nfs/dbraw/zinc/13/35/66/607133566.db2.gz VSLRSCLJZPPESE-LLVKDONJSA-N -1 3 381.396 2.837 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOC4(CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645913 607133568 /nfs/dbraw/zinc/13/35/68/607133568.db2.gz VSLRSCLJZPPESE-LLVKDONJSA-N -1 3 381.396 2.837 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc(-c3nnn[n-]3)c2c1 ZINC000826499309 607822195 /nfs/dbraw/zinc/82/21/95/607822195.db2.gz DJLISONWFXXVMI-YMRXKLBXSA-N -1 3 393.407 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc(-c3nn[n-]n3)c2c1 ZINC000826499309 607822196 /nfs/dbraw/zinc/82/21/96/607822196.db2.gz DJLISONWFXXVMI-YMRXKLBXSA-N -1 3 393.407 2.693 20 5 GFBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391824 608123426 /nfs/dbraw/zinc/12/34/26/608123426.db2.gz KYISIXBATKUYKY-MEBBXXQBSA-N -1 3 395.379 2.840 20 5 GFBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391824 608123427 /nfs/dbraw/zinc/12/34/27/608123427.db2.gz KYISIXBATKUYKY-MEBBXXQBSA-N -1 3 395.379 2.840 20 5 GFBDHM COc1ccccc1OC[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826220053 608124166 /nfs/dbraw/zinc/12/41/66/608124166.db2.gz AQRKTLHNMYNAOC-GFCCVEGCSA-N -1 3 384.396 2.911 20 5 GFBDHM COc1ccccc1OC[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826220053 608124167 /nfs/dbraw/zinc/12/41/67/608124167.db2.gz AQRKTLHNMYNAOC-GFCCVEGCSA-N -1 3 384.396 2.911 20 5 GFBDHM COc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1F ZINC000826214399 608160941 /nfs/dbraw/zinc/16/09/41/608160941.db2.gz KWPFZHLYPWLODH-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM COc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1F ZINC000826214399 608160942 /nfs/dbraw/zinc/16/09/42/608160942.db2.gz KWPFZHLYPWLODH-UHFFFAOYSA-N -1 3 392.734 2.828 20 5 GFBDHM O=C(CCCc1ccccn1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406666 608161639 /nfs/dbraw/zinc/16/16/39/608161639.db2.gz HXXSRJJAMXQCKD-UHFFFAOYSA-N -1 3 387.787 2.785 20 5 GFBDHM O=C(CCCc1ccccn1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406666 608161640 /nfs/dbraw/zinc/16/16/40/608161640.db2.gz HXXSRJJAMXQCKD-UHFFFAOYSA-N -1 3 387.787 2.785 20 5 GFBDHM CC(C)c1ncncc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824364788 608163188 /nfs/dbraw/zinc/16/31/88/608163188.db2.gz UQFBROZBEXVAOF-UHFFFAOYSA-N -1 3 388.775 2.594 20 5 GFBDHM CC(C)c1ncncc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824364788 608163190 /nfs/dbraw/zinc/16/31/90/608163190.db2.gz UQFBROZBEXVAOF-UHFFFAOYSA-N -1 3 388.775 2.594 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826272763 608336603 /nfs/dbraw/zinc/33/66/03/608336603.db2.gz ABBZLPRAAVWBCM-UHFFFAOYSA-N -1 3 378.392 2.605 20 5 GFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826272763 608336604 /nfs/dbraw/zinc/33/66/04/608336604.db2.gz ABBZLPRAAVWBCM-UHFFFAOYSA-N -1 3 378.392 2.605 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826293434 608570828 /nfs/dbraw/zinc/57/08/28/608570828.db2.gz PAVDWUZDQYNBHP-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826293434 608570830 /nfs/dbraw/zinc/57/08/30/608570830.db2.gz PAVDWUZDQYNBHP-UHFFFAOYSA-N -1 3 379.380 2.609 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000826184665 609313407 /nfs/dbraw/zinc/31/34/07/609313407.db2.gz GOFMFUZKVWVLBU-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184053 609396885 /nfs/dbraw/zinc/39/68/85/609396885.db2.gz QPMXCNVCTINICH-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184053 609396889 /nfs/dbraw/zinc/39/68/89/609396889.db2.gz QPMXCNVCTINICH-GXSJLCMTSA-N -1 3 394.819 2.962 20 5 GFBDHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826291754 609577276 /nfs/dbraw/zinc/57/72/76/609577276.db2.gz URDBIAXZMNDQOA-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000826291754 609577279 /nfs/dbraw/zinc/57/72/79/609577279.db2.gz URDBIAXZMNDQOA-INIZCTEOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=C(Nc1ncccc1[O-])c1cc(I)cc([N+](=O)[O-])c1 ZINC000129953991 654878724 /nfs/dbraw/zinc/87/87/24/654878724.db2.gz DPDKFQKSVGDNBV-UHFFFAOYSA-N -1 3 385.117 2.552 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c(Cl)c1 ZINC000068346028 654960255 /nfs/dbraw/zinc/96/02/55/654960255.db2.gz RYWBMSOJMFVEJD-UHFFFAOYSA-N -1 3 381.841 2.542 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2F)c(Cl)c1 ZINC000121043463 655347519 /nfs/dbraw/zinc/34/75/19/655347519.db2.gz RSLCTERXYIJVLR-LBPRGKRZSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)cn1 ZINC000746601193 655764731 /nfs/dbraw/zinc/76/47/31/655764731.db2.gz WLELJGURRJLHPB-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2Cl)c(F)c1 ZINC000751440512 655827633 /nfs/dbraw/zinc/82/76/33/655827633.db2.gz GVESEWYDGDOFSH-LBPRGKRZSA-N -1 3 392.767 2.538 20 5 GFBDHM CC1(O)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000751481534 655829648 /nfs/dbraw/zinc/82/96/48/655829648.db2.gz BWVZRDVKIHMAIW-UHFFFAOYSA-N -1 3 382.360 2.586 20 5 GFBDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000765170734 656134989 /nfs/dbraw/zinc/13/49/89/656134989.db2.gz CAQLKFSFRVZHSJ-UHFFFAOYSA-N -1 3 392.256 2.601 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ncccc1[O-] ZINC000795208630 658713315 /nfs/dbraw/zinc/71/33/15/658713315.db2.gz FPYJGYTVPVDXHX-UHFFFAOYSA-N -1 3 377.300 2.601 20 5 GFBDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226739 659085883 /nfs/dbraw/zinc/08/58/83/659085883.db2.gz DROOSTNZODNJRJ-MNOVXSKESA-N -1 3 393.868 2.786 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799326702 659181690 /nfs/dbraw/zinc/18/16/90/659181690.db2.gz CHMAGGBVJPFROD-UHFFFAOYSA-N -1 3 391.783 2.917 20 5 GFBDHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419787 661720516 /nfs/dbraw/zinc/72/05/16/661720516.db2.gz OXOONJOTDROCCT-VIFPVBQESA-N -1 3 379.841 2.538 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000127273535 551339427 /nfs/dbraw/zinc/33/94/27/551339427.db2.gz OZPLGVFXCGGKAN-UHFFFAOYSA-N -1 3 387.211 2.541 20 5 GFBDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000182480345 552285723 /nfs/dbraw/zinc/28/57/23/552285723.db2.gz AVOORDFELQRERI-VIFPVBQESA-N -1 3 384.376 2.689 20 5 GFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(C(=O)OC)c2Br)n1 ZINC000427781456 563475509 /nfs/dbraw/zinc/47/55/09/563475509.db2.gz SKXVFLDLNLNQHC-UHFFFAOYSA-N -1 3 397.185 2.613 20 5 GFBDHM Cc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1[N+](=O)[O-] ZINC000430091434 563532709 /nfs/dbraw/zinc/53/27/09/563532709.db2.gz SQTRNCPVYVFVKZ-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(SC)cc1 ZINC000435590413 563654174 /nfs/dbraw/zinc/65/41/74/563654174.db2.gz VXQDYZFRPIUPBL-UHFFFAOYSA-N -1 3 382.463 2.846 20 5 GFBDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443147148 563793206 /nfs/dbraw/zinc/79/32/06/563793206.db2.gz VEGVAFNIUDDQTE-RYUDHWBXSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000366337564 563805604 /nfs/dbraw/zinc/80/56/04/563805604.db2.gz GSSICOCHEZCPKB-RISCZKNCSA-N -1 3 392.886 2.581 20 5 GFBDHM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000444166528 563823605 /nfs/dbraw/zinc/82/36/05/563823605.db2.gz JITROCUQQSYUOI-UHFFFAOYSA-N -1 3 383.392 2.622 20 5 GFBDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416406131 563823977 /nfs/dbraw/zinc/82/39/77/563823977.db2.gz DPXSXEKSABSJHT-UHFFFAOYSA-N -1 3 384.376 2.691 20 5 GFBDHM CCC(CC)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473953802 564260063 /nfs/dbraw/zinc/26/00/63/564260063.db2.gz VHSWFQUHAYILLL-AWEZNQCLSA-N -1 3 377.894 2.893 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000451635535 564334109 /nfs/dbraw/zinc/33/41/09/564334109.db2.gz XSKXLBMAIDLWST-UHFFFAOYSA-N -1 3 381.223 2.835 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)CC1 ZINC000451690571 564340028 /nfs/dbraw/zinc/34/00/28/564340028.db2.gz OSSLXKOZODJKFK-UHFFFAOYSA-N -1 3 393.259 2.895 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000543619582 564356199 /nfs/dbraw/zinc/35/61/99/564356199.db2.gz FRRXPXBNCAWOPL-JTQLQIEISA-N -1 3 394.833 2.769 20 5 GFBDHM COCc1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C(=O)OC ZINC000511172144 564361700 /nfs/dbraw/zinc/36/17/00/564361700.db2.gz MRFQCINFXFTKOQ-UHFFFAOYSA-N -1 3 385.785 2.890 20 5 GFBDHM COc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1[N+](=O)[O-] ZINC000481871049 564527467 /nfs/dbraw/zinc/52/74/67/564527467.db2.gz UONIRXVBQANXNC-UHFFFAOYSA-N -1 3 384.797 2.993 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482214181 564538516 /nfs/dbraw/zinc/53/85/16/564538516.db2.gz UEURIBLAFRJIBP-SSDOTTSWSA-N -1 3 375.332 2.529 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482214181 564538520 /nfs/dbraw/zinc/53/85/20/564538520.db2.gz UEURIBLAFRJIBP-SSDOTTSWSA-N -1 3 375.332 2.529 20 5 GFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482214181 564538524 /nfs/dbraw/zinc/53/85/24/564538524.db2.gz UEURIBLAFRJIBP-SSDOTTSWSA-N -1 3 375.332 2.529 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000518658881 564559511 /nfs/dbraw/zinc/55/95/11/564559511.db2.gz ZERAGMALEPVPRU-NWDGAFQWSA-N -1 3 375.878 2.789 20 5 GFBDHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490480362 564773278 /nfs/dbraw/zinc/77/32/78/564773278.db2.gz WPZALVHJJKQXLM-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM Cn1c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC000491932607 564796235 /nfs/dbraw/zinc/79/62/35/564796235.db2.gz LZNQZCJUJBUIQG-UHFFFAOYSA-N -1 3 380.813 2.613 20 5 GFBDHM Cc1cnccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494602870 564835273 /nfs/dbraw/zinc/83/52/73/564835273.db2.gz KDGPBSJGZRYBFD-UHFFFAOYSA-N -1 3 386.227 2.539 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467066078 564954283 /nfs/dbraw/zinc/95/42/83/564954283.db2.gz ULUDSIZEZZIJEQ-GFCCVEGCSA-N -1 3 383.495 2.764 20 5 GFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000533095195 564954473 /nfs/dbraw/zinc/95/44/73/564954473.db2.gz UZNXULFFWZOLIL-HNNXBMFYSA-N -1 3 384.841 2.877 20 5 GFBDHM Cc1c(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000561545434 565001136 /nfs/dbraw/zinc/00/11/36/565001136.db2.gz AXNFFFVKOFFMPR-UHFFFAOYSA-N -1 3 375.328 2.796 20 5 GFBDHM O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000591886540 565242469 /nfs/dbraw/zinc/24/24/69/565242469.db2.gz DQLOAJGGSDQQHO-UHFFFAOYSA-N -1 3 385.117 2.552 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)c(C)s1 ZINC000619484848 565343939 /nfs/dbraw/zinc/34/39/39/565343939.db2.gz ISQKRULVYJXRRE-UHFFFAOYSA-N -1 3 385.467 2.890 20 5 GFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(F)ccc1SC ZINC000619488208 565345074 /nfs/dbraw/zinc/34/50/74/565345074.db2.gz FDULMTFYRBIZPO-UHFFFAOYSA-N -1 3 386.426 2.943 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594485575 565394776 /nfs/dbraw/zinc/39/47/76/565394776.db2.gz ABACQBLBGWFDII-ZWNOBZJWSA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594852174 565429011 /nfs/dbraw/zinc/42/90/11/565429011.db2.gz NXQRJZLSIAURAY-NSHDSACASA-N -1 3 399.213 2.989 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN(CC2CC2)C1 ZINC000595412272 565474732 /nfs/dbraw/zinc/47/47/32/565474732.db2.gz XKKYZJVHXPOKLG-CYBMUJFWSA-N -1 3 387.889 2.649 20 5 GFBDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353175 566036811 /nfs/dbraw/zinc/03/68/11/566036811.db2.gz PMYIEVPIQWRETK-VXGBXAGGSA-N -1 3 375.878 2.789 20 5 GFBDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263218 566073995 /nfs/dbraw/zinc/07/39/95/566073995.db2.gz AWTRJLBNMJJKDJ-VIFPVBQESA-N -1 3 382.269 2.522 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c(Cl)c1 ZINC000611019571 566111111 /nfs/dbraw/zinc/11/11/11/566111111.db2.gz NZZVKULLHVWBCG-CYBMUJFWSA-N -1 3 392.767 2.538 20 5 GFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736813388 598831218 /nfs/dbraw/zinc/83/12/18/598831218.db2.gz JZLBNWXQLCRSPO-UHFFFAOYSA-N -1 3 380.408 2.711 20 5 GFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736813388 598831220 /nfs/dbraw/zinc/83/12/20/598831220.db2.gz JZLBNWXQLCRSPO-UHFFFAOYSA-N -1 3 380.408 2.711 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737059489 598832136 /nfs/dbraw/zinc/83/21/36/598832136.db2.gz VCVZJSOWZHVFMS-UHFFFAOYSA-N -1 3 382.380 2.700 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737059489 598832138 /nfs/dbraw/zinc/83/21/38/598832138.db2.gz VCVZJSOWZHVFMS-UHFFFAOYSA-N -1 3 382.380 2.700 20 5 GFBDHM Cn1cnc([N+](=O)[O-])c1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737618309 598854753 /nfs/dbraw/zinc/85/47/53/598854753.db2.gz FLBFFNOIOAQGND-UHFFFAOYSA-N -1 3 382.409 2.849 20 5 GFBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738268718 599117653 /nfs/dbraw/zinc/11/76/53/599117653.db2.gz NMBQMMYYPSHZCB-QGZVFWFLSA-N -1 3 382.405 2.663 20 5 GFBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738268718 599117656 /nfs/dbraw/zinc/11/76/56/599117656.db2.gz NMBQMMYYPSHZCB-QGZVFWFLSA-N -1 3 382.405 2.663 20 5 GFBDHM C[C@@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508668 607263654 /nfs/dbraw/zinc/26/36/54/607263654.db2.gz UWMSRTSWOVQJDE-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508668 607263655 /nfs/dbraw/zinc/26/36/55/607263655.db2.gz UWMSRTSWOVQJDE-MRVPVSSYSA-N -1 3 375.291 2.971 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736487931 599278985 /nfs/dbraw/zinc/27/89/85/599278985.db2.gz KKDRMXXFFBLGQN-UHFFFAOYSA-N -1 3 397.395 2.614 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735627707 598468557 /nfs/dbraw/zinc/46/85/57/598468557.db2.gz OOQPYAHCZOHPHX-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735627707 598468558 /nfs/dbraw/zinc/46/85/58/598468558.db2.gz OOQPYAHCZOHPHX-LBPRGKRZSA-N -1 3 389.416 2.586 20 5 GFBDHM COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737082921 598495378 /nfs/dbraw/zinc/49/53/78/598495378.db2.gz MNEMLLNCMCBEEO-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737082921 598495379 /nfs/dbraw/zinc/49/53/79/598495379.db2.gz MNEMLLNCMCBEEO-UHFFFAOYSA-N -1 3 388.771 2.618 20 5 GFBDHM CCc1c(C)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000736675815 598518541 /nfs/dbraw/zinc/51/85/41/598518541.db2.gz OTMZVCJXQYWPFO-UHFFFAOYSA-N -1 3 388.409 2.725 20 5 GFBDHM CCc1c(C)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000736675815 598518542 /nfs/dbraw/zinc/51/85/42/598518542.db2.gz OTMZVCJXQYWPFO-UHFFFAOYSA-N -1 3 388.409 2.725 20 5 GFBDHM CN(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736843983 598627990 /nfs/dbraw/zinc/62/79/90/598627990.db2.gz RMYZQVSJCBSPRF-UHFFFAOYSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736843983 598627992 /nfs/dbraw/zinc/62/79/92/598627992.db2.gz RMYZQVSJCBSPRF-UHFFFAOYSA-N -1 3 379.424 2.880 20 5 GFBDHM CCCN(C[C@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736470529 598814140 /nfs/dbraw/zinc/81/41/40/598814140.db2.gz KGWXHXGMJPFNEA-AWEZNQCLSA-N -1 3 396.407 2.831 20 5 GFBDHM CCCN(C[C@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736470529 598814142 /nfs/dbraw/zinc/81/41/42/598814142.db2.gz KGWXHXGMJPFNEA-AWEZNQCLSA-N -1 3 396.407 2.831 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1nccn1Cc1ccccn1 ZINC000738359766 598817427 /nfs/dbraw/zinc/81/74/27/598817427.db2.gz NLVUVTLEQPEAAB-UHFFFAOYSA-N -1 3 380.393 2.566 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1nccn1Cc1ccccn1 ZINC000738359766 598817429 /nfs/dbraw/zinc/81/74/29/598817429.db2.gz NLVUVTLEQPEAAB-UHFFFAOYSA-N -1 3 380.393 2.566 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738370269 599306632 /nfs/dbraw/zinc/30/66/32/599306632.db2.gz TUHRPVPXSAKADZ-LBPRGKRZSA-N -1 3 396.194 2.622 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738370269 599306634 /nfs/dbraw/zinc/30/66/34/599306634.db2.gz TUHRPVPXSAKADZ-LBPRGKRZSA-N -1 3 396.194 2.622 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000822129798 599386981 /nfs/dbraw/zinc/38/69/81/599386981.db2.gz OQXVHMNXNVYXGR-UHFFFAOYSA-N -1 3 383.364 2.837 20 5 GFBDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822204030 599490942 /nfs/dbraw/zinc/49/09/42/599490942.db2.gz ARTNPSCHPVFNLD-UHFFFAOYSA-N -1 3 393.382 2.847 20 5 GFBDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822204030 599490944 /nfs/dbraw/zinc/49/09/44/599490944.db2.gz ARTNPSCHPVFNLD-UHFFFAOYSA-N -1 3 393.382 2.847 20 5 GFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825609656 607430034 /nfs/dbraw/zinc/43/00/34/607430034.db2.gz PNIZOARHAKZKRF-UHFFFAOYSA-N -1 3 383.364 2.630 20 5 GFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825609656 607430036 /nfs/dbraw/zinc/43/00/36/607430036.db2.gz PNIZOARHAKZKRF-UHFFFAOYSA-N -1 3 383.364 2.630 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000826253880 607445166 /nfs/dbraw/zinc/44/51/66/607445166.db2.gz JGJSQJYIXQQPFZ-UHFFFAOYSA-N -1 3 398.335 2.657 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000826253880 607445167 /nfs/dbraw/zinc/44/51/67/607445167.db2.gz JGJSQJYIXQQPFZ-UHFFFAOYSA-N -1 3 398.335 2.657 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)ccc1C ZINC000826177715 607524533 /nfs/dbraw/zinc/52/45/33/607524533.db2.gz RPGHDRLLFXMUMS-UHFFFAOYSA-N -1 3 388.771 2.998 20 5 GFBDHM COc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1C ZINC000826177715 607524535 /nfs/dbraw/zinc/52/45/35/607524535.db2.gz RPGHDRLLFXMUMS-UHFFFAOYSA-N -1 3 388.771 2.998 20 5 GFBDHM O=C([N-]c1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000826459401 607770818 /nfs/dbraw/zinc/77/08/18/607770818.db2.gz IMKIBWOCEDNVLC-UHFFFAOYSA-N -1 3 383.349 2.744 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822935917 606368807 /nfs/dbraw/zinc/36/88/07/606368807.db2.gz PWCYVBJVLLFNGZ-VMPITWQZSA-N -1 3 392.331 2.673 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822935917 606368808 /nfs/dbraw/zinc/36/88/08/606368808.db2.gz PWCYVBJVLLFNGZ-VMPITWQZSA-N -1 3 392.331 2.673 20 5 GFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000820926124 606419276 /nfs/dbraw/zinc/41/92/76/606419276.db2.gz OZEKBAZMSNGNSE-WBMJQRKESA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000820926124 606419277 /nfs/dbraw/zinc/41/92/77/606419277.db2.gz OZEKBAZMSNGNSE-WBMJQRKESA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000820926752 606419474 /nfs/dbraw/zinc/41/94/74/606419474.db2.gz WBGUXXQNAWNRLJ-XJKSGUPXSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000820926752 606419475 /nfs/dbraw/zinc/41/94/75/606419475.db2.gz WBGUXXQNAWNRLJ-XJKSGUPXSA-N -1 3 390.350 2.977 20 5 GFBDHM CC(C)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819987768 606545314 /nfs/dbraw/zinc/54/53/14/606545314.db2.gz KZDAZKYRMGYOOE-KPKJPENVSA-N -1 3 378.392 2.840 20 5 GFBDHM CC(C)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819987768 606545316 /nfs/dbraw/zinc/54/53/16/606545316.db2.gz KZDAZKYRMGYOOE-KPKJPENVSA-N -1 3 378.392 2.840 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820543179 606545944 /nfs/dbraw/zinc/54/59/44/606545944.db2.gz VSZATQYAYZULTN-GFCCVEGCSA-N -1 3 396.407 2.594 20 5 GFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820543179 606545946 /nfs/dbraw/zinc/54/59/46/606545946.db2.gz VSZATQYAYZULTN-GFCCVEGCSA-N -1 3 396.407 2.594 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC000823644643 606728710 /nfs/dbraw/zinc/72/87/10/606728710.db2.gz JVUWNNQKWPIPAX-DJSGYFEHSA-N -1 3 381.396 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC000823644643 606728712 /nfs/dbraw/zinc/72/87/12/606728712.db2.gz JVUWNNQKWPIPAX-DJSGYFEHSA-N -1 3 381.396 2.693 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823040202 606771167 /nfs/dbraw/zinc/77/11/67/606771167.db2.gz FTUMVGJBFAQZJC-UHFFFAOYSA-N -1 3 390.359 2.946 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823040202 606771168 /nfs/dbraw/zinc/77/11/68/606771168.db2.gz FTUMVGJBFAQZJC-UHFFFAOYSA-N -1 3 390.359 2.946 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823242386 606812880 /nfs/dbraw/zinc/81/28/80/606812880.db2.gz XLAFXGHFKPVBBA-UHFFFAOYSA-N -1 3 394.725 2.637 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823242386 606812882 /nfs/dbraw/zinc/81/28/82/606812882.db2.gz XLAFXGHFKPVBBA-UHFFFAOYSA-N -1 3 394.725 2.637 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823421869 607000725 /nfs/dbraw/zinc/00/07/25/607000725.db2.gz JDHWCIKJQFDWKV-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823421869 607000728 /nfs/dbraw/zinc/00/07/28/607000728.db2.gz JDHWCIKJQFDWKV-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)cc2Cl)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823510864 607125645 /nfs/dbraw/zinc/12/56/45/607125645.db2.gz BLZHUODPUITOCG-OAHLLOKOSA-N -1 3 399.798 2.646 20 5 GFBDHM CCNc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825480666 607796889 /nfs/dbraw/zinc/79/68/89/607796889.db2.gz FULBIZYRRLJLLC-UHFFFAOYSA-N -1 3 381.396 2.873 20 5 GFBDHM CCNc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825480666 607796890 /nfs/dbraw/zinc/79/68/90/607796890.db2.gz FULBIZYRRLJLLC-UHFFFAOYSA-N -1 3 381.396 2.873 20 5 GFBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824391807 607810788 /nfs/dbraw/zinc/81/07/88/607810788.db2.gz KSPVISIFEFXQSI-LBPRGKRZSA-N -1 3 382.380 2.709 20 5 GFBDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824391807 607810789 /nfs/dbraw/zinc/81/07/89/607810789.db2.gz KSPVISIFEFXQSI-LBPRGKRZSA-N -1 3 382.380 2.709 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C2 ZINC000826499932 607937884 /nfs/dbraw/zinc/93/78/84/607937884.db2.gz FEYJHDPRHPULFN-UHFFFAOYSA-N -1 3 391.313 2.751 20 5 GFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C2 ZINC000826499932 607937885 /nfs/dbraw/zinc/93/78/85/607937885.db2.gz FEYJHDPRHPULFN-UHFFFAOYSA-N -1 3 391.313 2.751 20 5 GFBDHM COc1ccc(OC)c(CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826210851 607966309 /nfs/dbraw/zinc/96/63/09/607966309.db2.gz HITWPYDTQUCFHB-UHFFFAOYSA-N -1 3 384.396 2.837 20 5 GFBDHM COc1ccc(OC)c(CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826210851 607966310 /nfs/dbraw/zinc/96/63/10/607966310.db2.gz HITWPYDTQUCFHB-UHFFFAOYSA-N -1 3 384.396 2.837 20 5 GFBDHM Cc1nn(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c2cc([N+](=O)[O-])ccc12 ZINC000826334703 608054316 /nfs/dbraw/zinc/05/43/16/608054316.db2.gz GBJAIQPQKJPZGL-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM Cc1nn(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc12 ZINC000826334703 608054317 /nfs/dbraw/zinc/05/43/17/608054317.db2.gz GBJAIQPQKJPZGL-UHFFFAOYSA-N -1 3 378.396 2.523 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826465443 608105106 /nfs/dbraw/zinc/10/51/06/608105106.db2.gz NKYJUWZIAMOEOY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826465443 608105108 /nfs/dbraw/zinc/10/51/08/608105108.db2.gz NKYJUWZIAMOEOY-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM CCOc1cc(N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000825616199 608180618 /nfs/dbraw/zinc/18/06/18/608180618.db2.gz ZOZCXCJDMBICHO-UHFFFAOYSA-N -1 3 398.423 2.827 20 5 GFBDHM CCOc1cc(N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000825616199 608180619 /nfs/dbraw/zinc/18/06/19/608180619.db2.gz ZOZCXCJDMBICHO-UHFFFAOYSA-N -1 3 398.423 2.827 20 5 GFBDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824715039 608181923 /nfs/dbraw/zinc/18/19/23/608181923.db2.gz QMQBYWWHRZVJSR-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824715039 608181926 /nfs/dbraw/zinc/18/19/26/608181926.db2.gz QMQBYWWHRZVJSR-QMMMGPOBSA-N -1 3 375.291 2.971 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2nonc21 ZINC000826498520 608443052 /nfs/dbraw/zinc/44/30/52/608443052.db2.gz YNCIVDJJEOLAJW-UHFFFAOYSA-N -1 3 390.363 2.605 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c2nonc21 ZINC000826498520 608443054 /nfs/dbraw/zinc/44/30/54/608443054.db2.gz YNCIVDJJEOLAJW-UHFFFAOYSA-N -1 3 390.363 2.605 20 5 GFBDHM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627265 608466985 /nfs/dbraw/zinc/46/69/85/608466985.db2.gz VOELUECRPSYHNH-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824627265 608466986 /nfs/dbraw/zinc/46/69/86/608466986.db2.gz VOELUECRPSYHNH-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826414080 609155665 /nfs/dbraw/zinc/15/56/65/609155665.db2.gz DMOIZPSUHZQMGO-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826414080 609155666 /nfs/dbraw/zinc/15/56/66/609155666.db2.gz DMOIZPSUHZQMGO-UHFFFAOYSA-N -1 3 388.771 2.584 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826401682 609329316 /nfs/dbraw/zinc/32/93/16/609329316.db2.gz 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O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000125529745 654796966 /nfs/dbraw/zinc/79/69/66/654796966.db2.gz XANCSQWWCGQRFR-UHFFFAOYSA-N -1 3 396.734 2.967 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000269151552 655000026 /nfs/dbraw/zinc/00/00/26/655000026.db2.gz SDQFGCYWAOIBPC-IINYFYTJSA-N -1 3 392.886 2.581 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)c1 ZINC000173002081 655161828 /nfs/dbraw/zinc/16/18/28/655161828.db2.gz PYTFFIGAXDXMPZ-UHFFFAOYSA-N -1 3 375.244 2.824 20 5 GFBDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175639753 655224822 /nfs/dbraw/zinc/22/48/22/655224822.db2.gz BYKAIVSCJKYDOF-BAGVQZLWSA-N -1 3 394.902 2.606 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000119321433 655298739 /nfs/dbraw/zinc/29/87/39/655298739.db2.gz BERUXCIJGZCYDU-BJOHPYRUSA-N -1 3 388.804 2.788 20 5 GFBDHM O=C(COC(=O)c1cccc(Br)c1[O-])Nc1ccccc1[N+](=O)[O-] 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BNOJEOGBXGXCGX-UHFFFAOYSA-N -1 3 391.852 2.540 20 5 GFBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841566562 661303975 /nfs/dbraw/zinc/30/39/75/661303975.db2.gz HWAUWBMOFRHADU-UHFFFAOYSA-N -1 3 395.275 2.839 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000848508119 661658456 /nfs/dbraw/zinc/65/84/56/661658456.db2.gz HTQZZODFDTWYBR-STQMWFEESA-N -1 3 391.852 2.683 20 5 GFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000849426663 661722759 /nfs/dbraw/zinc/72/27/59/661722759.db2.gz VNGMWIXRMKWIHY-SNVBAGLBSA-N -1 3 388.389 2.825 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000045809561 551148372 /nfs/dbraw/zinc/14/83/72/551148372.db2.gz GWISUUAITFWPQF-ZDUSSCGKSA-N -1 3 389.886 2.891 20 5 GFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000048445561 551156511 /nfs/dbraw/zinc/15/65/11/551156511.db2.gz XEKZVJIMBAFTAR-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000056003796 551175268 /nfs/dbraw/zinc/17/52/68/551175268.db2.gz NTQKSBSNAPMODH-UHFFFAOYSA-N -1 3 383.382 2.929 20 5 GFBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n[n-]1 ZINC000119441395 551216359 /nfs/dbraw/zinc/21/63/59/551216359.db2.gz BOGOQANRPXPHIQ-UHFFFAOYSA-N -1 3 391.185 2.733 20 5 GFBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)[n-]n1 ZINC000119441395 551216360 /nfs/dbraw/zinc/21/63/60/551216360.db2.gz BOGOQANRPXPHIQ-UHFFFAOYSA-N -1 3 391.185 2.733 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000131269690 551373303 /nfs/dbraw/zinc/37/33/03/551373303.db2.gz CTJSFABXMGITEP-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM Cc1nsc([N-]C(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000156403543 551522429 /nfs/dbraw/zinc/52/24/29/551522429.db2.gz JDSYUESEFMQKGV-UHFFFAOYSA-N -1 3 390.162 2.612 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC000171414601 551655391 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LQXPEKFFVRXQSN-MWLCHTKSSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2(O)CCC2)c(C(F)(F)F)c1 ZINC000420723398 563279751 /nfs/dbraw/zinc/27/97/51/563279751.db2.gz YGSSFOYYGXOYOF-UHFFFAOYSA-N -1 3 382.360 2.587 20 5 GFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000303258256 563433294 /nfs/dbraw/zinc/43/32/94/563433294.db2.gz DOXKHORCWOTSKP-UHFFFAOYSA-N -1 3 385.829 2.911 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426327119 563448792 /nfs/dbraw/zinc/44/87/92/563448792.db2.gz PSYNUQLAFPOUJB-UHFFFAOYSA-N -1 3 378.801 2.676 20 5 GFBDHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431909232 563570451 /nfs/dbraw/zinc/57/04/51/563570451.db2.gz LQFCVZSUMXVCIJ-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000290029216 563694954 /nfs/dbraw/zinc/69/49/54/563694954.db2.gz YVSHZMCPKKSQGL-OAHLLOKOSA-N -1 3 384.479 2.836 20 5 GFBDHM O=C([O-])CCCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000414685793 563750121 /nfs/dbraw/zinc/75/01/21/563750121.db2.gz TXDSGIROVQGFOO-UHFFFAOYSA-N -1 3 392.193 2.934 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)sc1Cl ZINC000443980700 563816829 /nfs/dbraw/zinc/81/68/29/563816829.db2.gz QXBQWKUEXVLBRW-UHFFFAOYSA-N -1 3 386.842 2.973 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCc1nccs1 ZINC000416387212 563821932 /nfs/dbraw/zinc/82/19/32/563821932.db2.gz SXUHBQNKNMHMPF-UHFFFAOYSA-N -1 3 381.357 2.591 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O ZINC000416485328 563837337 /nfs/dbraw/zinc/83/73/37/563837337.db2.gz FCIZVPMHFGCFDI-ZYHUDNBSSA-N -1 3 382.360 2.586 20 5 GFBDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498639 563839339 /nfs/dbraw/zinc/83/93/39/563839339.db2.gz XYSMMIQEXJCSBS-SDBXPKJASA-N -1 3 382.360 2.705 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(CSC)c2)c([N+](=O)[O-])c1 ZINC000445732847 563853103 /nfs/dbraw/zinc/85/31/03/563853103.db2.gz JABGUUDWQKMMKP-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc21 ZINC000451616037 564332009 /nfs/dbraw/zinc/33/20/09/564332009.db2.gz YHEPPXNEDXBOOR-LLVKDONJSA-N -1 3 380.447 2.771 20 5 GFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451646673 564334914 /nfs/dbraw/zinc/33/49/14/564334914.db2.gz JREGXRBKCADHLH-MRVPVSSYSA-N -1 3 376.378 2.601 20 5 GFBDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479223011 564431837 /nfs/dbraw/zinc/43/18/37/564431837.db2.gz IKTIAXFVOLWLMC-SECBINFHSA-N -1 3 378.834 2.647 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccncc2Br)c1C ZINC000481918531 564528223 /nfs/dbraw/zinc/52/82/23/564528223.db2.gz GIBRKZJJHSQMEI-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976629 564583131 /nfs/dbraw/zinc/58/31/31/564583131.db2.gz DCOFCHIMAITHPY-CQSZACIVSA-N -1 3 383.857 2.829 20 5 GFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(C3CCC3)cs2)c([N+](=O)[O-])c1 ZINC000456049279 564586290 /nfs/dbraw/zinc/58/62/90/564586290.db2.gz WDEJCFIPNIAMJK-UHFFFAOYSA-N -1 3 381.435 2.975 20 5 GFBDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132533 564676964 /nfs/dbraw/zinc/67/69/64/564676964.db2.gz IIGOPISPOQHALD-ABAIWWIYSA-N -1 3 376.862 2.978 20 5 GFBDHM CCN(CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000462158638 564824896 /nfs/dbraw/zinc/82/48/96/564824896.db2.gz XKHHWHZFWWJPSH-UHFFFAOYSA-N -1 3 382.269 2.664 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000497953461 564881310 /nfs/dbraw/zinc/88/13/10/564881310.db2.gz VKXDWBBOUIVBLD-GXSJLCMTSA-N -1 3 390.767 2.537 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000497953481 564881511 /nfs/dbraw/zinc/88/15/11/564881511.db2.gz VKXDWBBOUIVBLD-KOLCDFICSA-N -1 3 390.767 2.537 20 5 GFBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000559158024 564926002 /nfs/dbraw/zinc/92/60/02/564926002.db2.gz KFKOEKXLEKHNLU-UHFFFAOYSA-N -1 3 388.804 2.917 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)cn1 ZINC000533009335 564951856 /nfs/dbraw/zinc/95/18/56/564951856.db2.gz RJQYCEMMXLEQTD-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCCC1 ZINC000467406055 564962706 /nfs/dbraw/zinc/96/27/06/564962706.db2.gz RUUMHOVSUDZROO-UHFFFAOYSA-N -1 3 376.456 2.509 20 5 GFBDHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467406322 564962804 /nfs/dbraw/zinc/96/28/04/564962804.db2.gz SJWFRVSAGWOOPP-UHFFFAOYSA-N -1 3 384.435 2.620 20 5 GFBDHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594870963 565433607 /nfs/dbraw/zinc/43/36/07/565433607.db2.gz SHBSCDOWFCMMCE-UHFFFAOYSA-N -1 3 384.845 2.728 20 5 GFBDHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610957419 566108230 /nfs/dbraw/zinc/10/82/30/566108230.db2.gz XFOJTRGOEKURED-NXEZZACHSA-N -1 3 382.360 2.707 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736820018 598831019 /nfs/dbraw/zinc/83/10/19/598831019.db2.gz ILSHXDZXBIUCEN-UHFFFAOYSA-N -1 3 380.408 2.711 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736820018 598831020 /nfs/dbraw/zinc/83/10/20/598831020.db2.gz ILSHXDZXBIUCEN-UHFFFAOYSA-N -1 3 380.408 2.711 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737410040 599173791 /nfs/dbraw/zinc/17/37/91/599173791.db2.gz DDGQBFDPMJIYPX-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737410040 599173794 /nfs/dbraw/zinc/17/37/94/599173794.db2.gz DDGQBFDPMJIYPX-UHFFFAOYSA-N -1 3 388.384 2.953 20 5 GFBDHM COc1ccccc1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737150657 599255539 /nfs/dbraw/zinc/25/55/39/599255539.db2.gz QZLROXUAHNSUCL-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM COc1ccccc1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737150657 599255541 /nfs/dbraw/zinc/25/55/41/599255541.db2.gz QZLROXUAHNSUCL-UHFFFAOYSA-N -1 3 391.391 2.968 20 5 GFBDHM CCOc1ncccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736656200 599266301 /nfs/dbraw/zinc/26/63/01/599266301.db2.gz HKSKNUSUNJKCNR-UHFFFAOYSA-N -1 3 392.379 2.729 20 5 GFBDHM CCOc1ncccc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736656200 599266303 /nfs/dbraw/zinc/26/63/03/599266303.db2.gz HKSKNUSUNJKCNR-UHFFFAOYSA-N -1 3 392.379 2.729 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738317741 598379564 /nfs/dbraw/zinc/37/95/64/598379564.db2.gz GFEMGVHUFXXEFF-NTUHNPAUSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738317741 598379567 /nfs/dbraw/zinc/37/95/67/598379567.db2.gz GFEMGVHUFXXEFF-NTUHNPAUSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000737918409 598550879 /nfs/dbraw/zinc/55/08/79/598550879.db2.gz CTGGTTFSMGUQRW-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000737918409 598550881 /nfs/dbraw/zinc/55/08/81/598550881.db2.gz CTGGTTFSMGUQRW-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC(OCC4CC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644080 599358341 /nfs/dbraw/zinc/35/83/41/599358341.db2.gz FJPXFIWJKBRWSX-UHFFFAOYSA-N -1 3 395.423 2.719 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCC(OCC4CC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644080 599358342 /nfs/dbraw/zinc/35/83/42/599358342.db2.gz FJPXFIWJKBRWSX-UHFFFAOYSA-N -1 3 395.423 2.719 20 5 GFBDHM CC(C)OC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820142726 599544004 /nfs/dbraw/zinc/54/40/04/599544004.db2.gz SSIVCTKOLVWPHW-UHFFFAOYSA-N -1 3 383.412 2.717 20 5 GFBDHM CC(C)OC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820142726 599544006 /nfs/dbraw/zinc/54/40/06/599544006.db2.gz SSIVCTKOLVWPHW-UHFFFAOYSA-N -1 3 383.412 2.717 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCO[C@@H]21 ZINC000820584888 599570919 /nfs/dbraw/zinc/57/09/19/599570919.db2.gz KWGKQOGLGJWMDC-GTTSAUCSSA-N -1 3 381.396 2.549 20 5 GFBDHM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCO[C@@H]21 ZINC000820584888 599570920 /nfs/dbraw/zinc/57/09/20/599570920.db2.gz KWGKQOGLGJWMDC-GTTSAUCSSA-N -1 3 381.396 2.549 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1[N+](=O)[O-] ZINC000821418179 607411873 /nfs/dbraw/zinc/41/18/73/607411873.db2.gz XGEXGCVDNISRNF-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM CCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821418179 607411875 /nfs/dbraw/zinc/41/18/75/607411875.db2.gz XGEXGCVDNISRNF-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000821745139 607418672 /nfs/dbraw/zinc/41/86/72/607418672.db2.gz GPAWSUYWXYCJSG-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000821745139 607418675 /nfs/dbraw/zinc/41/86/75/607418675.db2.gz GPAWSUYWXYCJSG-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000824499860 607453205 /nfs/dbraw/zinc/45/32/05/607453205.db2.gz RRBPXQYCLQLAAO-GFCCVEGCSA-N -1 3 393.407 2.824 20 5 GFBDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000824499860 607453207 /nfs/dbraw/zinc/45/32/07/607453207.db2.gz RRBPXQYCLQLAAO-GFCCVEGCSA-N -1 3 393.407 2.824 20 5 GFBDHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000832863500 601731148 /nfs/dbraw/zinc/73/11/48/601731148.db2.gz QZNVVWBRGBABCO-OAQYLSRUSA-N -1 3 397.431 2.752 20 5 GFBDHM COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826204745 607609023 /nfs/dbraw/zinc/60/90/23/607609023.db2.gz XWSSAIABSUFJEI-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826204745 607609025 /nfs/dbraw/zinc/60/90/25/607609025.db2.gz XWSSAIABSUFJEI-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822212931 606137759 /nfs/dbraw/zinc/13/77/59/606137759.db2.gz NKFBMFRRDRFUSJ-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822212931 606137760 /nfs/dbraw/zinc/13/77/60/606137760.db2.gz NKFBMFRRDRFUSJ-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000820926748 606419195 /nfs/dbraw/zinc/41/91/95/606419195.db2.gz WBGUXXQNAWNRLJ-BBRMVZONSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000820926748 606419199 /nfs/dbraw/zinc/41/91/99/606419199.db2.gz WBGUXXQNAWNRLJ-BBRMVZONSA-N -1 3 390.350 2.977 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823644248 606452654 /nfs/dbraw/zinc/45/26/54/606452654.db2.gz HJXARWWFEUKOSI-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000823644248 606452655 /nfs/dbraw/zinc/45/26/55/606452655.db2.gz HJXARWWFEUKOSI-MRXNPFEDSA-N -1 3 395.354 2.608 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820543180 606546012 /nfs/dbraw/zinc/54/60/12/606546012.db2.gz VSZATQYAYZULTN-LBPRGKRZSA-N -1 3 396.407 2.594 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820543180 606546013 /nfs/dbraw/zinc/54/60/13/606546013.db2.gz VSZATQYAYZULTN-LBPRGKRZSA-N -1 3 396.407 2.594 20 5 GFBDHM CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914286 606588762 /nfs/dbraw/zinc/58/87/62/606588762.db2.gz NLFKHMFHHDFGBZ-KRWDZBQOSA-N -1 3 380.408 2.975 20 5 GFBDHM CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914286 606588763 /nfs/dbraw/zinc/58/87/63/606588763.db2.gz NLFKHMFHHDFGBZ-KRWDZBQOSA-N -1 3 380.408 2.975 20 5 GFBDHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919319 606621676 /nfs/dbraw/zinc/62/16/76/606621676.db2.gz BOZWHNDLTZVKEH-SJORKVTESA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919319 606621677 /nfs/dbraw/zinc/62/16/77/606621677.db2.gz BOZWHNDLTZVKEH-SJORKVTESA-N -1 3 396.407 2.730 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822934681 606622353 /nfs/dbraw/zinc/62/23/53/606622353.db2.gz BPVMDOCIOMDLRG-POHAHGRESA-N -1 3 387.359 2.975 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822934681 606622355 /nfs/dbraw/zinc/62/23/55/606622355.db2.gz BPVMDOCIOMDLRG-POHAHGRESA-N -1 3 387.359 2.975 20 5 GFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1 ZINC000823635450 606645956 /nfs/dbraw/zinc/64/59/56/606645956.db2.gz WQKPYZRHPKGJKP-AWEZNQCLSA-N -1 3 380.364 2.845 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823242312 606836719 /nfs/dbraw/zinc/83/67/19/606836719.db2.gz URTRPCSYGDGRGR-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823242312 606836721 /nfs/dbraw/zinc/83/67/21/606836721.db2.gz URTRPCSYGDGRGR-UHFFFAOYSA-N -1 3 391.750 2.889 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822238780 606947807 /nfs/dbraw/zinc/94/78/07/606947807.db2.gz UOEGHZPNUJYYFA-OAHLLOKOSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238780 606947808 /nfs/dbraw/zinc/94/78/08/606947808.db2.gz UOEGHZPNUJYYFA-OAHLLOKOSA-N -1 3 396.407 2.863 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822221285 607029441 /nfs/dbraw/zinc/02/94/41/607029441.db2.gz IOEGUJNYYJLAEH-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822221285 607029443 /nfs/dbraw/zinc/02/94/43/607029443.db2.gz IOEGUJNYYJLAEH-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C4CCOCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499320 607851443 /nfs/dbraw/zinc/85/14/43/607851443.db2.gz DUQVNUYBNYMKHR-CYBMUJFWSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C4CCOCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499320 607851444 /nfs/dbraw/zinc/85/14/44/607851444.db2.gz DUQVNUYBNYMKHR-CYBMUJFWSA-N -1 3 395.423 2.576 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nnn[n-]3)[n+]2[O-])c1 ZINC000826499364 607884424 /nfs/dbraw/zinc/88/44/24/607884424.db2.gz GCVZZXBOTKFILK-CMDGGOBGSA-N -1 3 387.359 2.641 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nn[n-]n3)[n+]2[O-])c1 ZINC000826499364 607884425 /nfs/dbraw/zinc/88/44/25/607884425.db2.gz GCVZZXBOTKFILK-CMDGGOBGSA-N -1 3 387.359 2.641 20 5 GFBDHM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972727 607937135 /nfs/dbraw/zinc/93/71/35/607937135.db2.gz FZNCHKQKRXWYAI-CQSZACIVSA-N -1 3 379.380 2.685 20 5 GFBDHM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972727 607937136 /nfs/dbraw/zinc/93/71/36/607937136.db2.gz FZNCHKQKRXWYAI-CQSZACIVSA-N -1 3 379.380 2.685 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826161949 608136153 /nfs/dbraw/zinc/13/61/53/608136153.db2.gz GWLJOWYSABQZSH-XQRVVYSFSA-N -1 3 396.407 2.925 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826161949 608136154 /nfs/dbraw/zinc/13/61/54/608136154.db2.gz GWLJOWYSABQZSH-XQRVVYSFSA-N -1 3 396.407 2.925 20 5 GFBDHM O=C(Cc1cccc(F)c1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423536 608161727 /nfs/dbraw/zinc/16/17/27/608161727.db2.gz UDWYLRLDJJXMII-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Cc1cccc(F)c1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423536 608161729 /nfs/dbraw/zinc/16/17/29/608161729.db2.gz UDWYLRLDJJXMII-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=[N+]([O-])c1ccc(OC2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826498761 608398422 /nfs/dbraw/zinc/39/84/22/608398422.db2.gz ITJDPFRGRUFUQH-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000826465968 608451594 /nfs/dbraw/zinc/45/15/94/608451594.db2.gz KGWPYEXSYJYWDQ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000826465968 608451595 /nfs/dbraw/zinc/45/15/95/608451595.db2.gz KGWPYEXSYJYWDQ-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471159 608473821 /nfs/dbraw/zinc/47/38/21/608473821.db2.gz ORNLZILODVXMJM-LBPRGKRZSA-N -1 3 396.407 2.810 20 5 GFBDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824471159 608473822 /nfs/dbraw/zinc/47/38/22/608473822.db2.gz ORNLZILODVXMJM-LBPRGKRZSA-N -1 3 396.407 2.810 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826500418 608515399 /nfs/dbraw/zinc/51/53/99/608515399.db2.gz XVCRVPNIJRHYHB-FNORWQNLSA-N -1 3 391.435 2.610 20 5 GFBDHM Cc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1[N+](=O)[O-] ZINC000826288242 608639955 /nfs/dbraw/zinc/63/99/55/608639955.db2.gz XHDHYBWSWHLPMW-UHFFFAOYSA-N -1 3 397.414 2.545 20 5 GFBDHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826315876 609511217 /nfs/dbraw/zinc/51/12/17/609511217.db2.gz XKHVATCZOWAUTR-NSCUHMNNSA-N -1 3 385.771 2.784 20 5 GFBDHM Cc1ccncc1C=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826315876 609511219 /nfs/dbraw/zinc/51/12/19/609511219.db2.gz XKHVATCZOWAUTR-NSCUHMNNSA-N -1 3 385.771 2.784 20 5 GFBDHM O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477544 609577638 /nfs/dbraw/zinc/57/76/38/609577638.db2.gz GGXQCRVKHQHLMH-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477544 609577641 /nfs/dbraw/zinc/57/76/41/609577641.db2.gz GGXQCRVKHQHLMH-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000751485899 655829698 /nfs/dbraw/zinc/82/96/98/655829698.db2.gz IKTANVRSEDPTFJ-RFAUZJTJSA-N -1 3 388.804 2.788 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)c(Cl)c1 ZINC000762519799 656045433 /nfs/dbraw/zinc/04/54/33/656045433.db2.gz CXKPBDLMGOLTFK-NQBHXWOUSA-N -1 3 394.927 2.906 20 5 GFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nccn2c(Br)cnc12 ZINC000770265807 656312988 /nfs/dbraw/zinc/31/29/88/656312988.db2.gz UTCSVPRHLXPIGJ-UHFFFAOYSA-N -1 3 380.133 2.791 20 5 GFBDHM O=C([N-]c1ccc(-n2cncn2)cn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000770794009 656330516 /nfs/dbraw/zinc/33/05/16/656330516.db2.gz XWQPRHTYFQSRTR-UHFFFAOYSA-N -1 3 395.198 2.647 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c1 ZINC000779893573 656957525 /nfs/dbraw/zinc/95/75/25/656957525.db2.gz UQAJFNHQOCJROH-SECBINFHSA-N -1 3 378.834 2.565 20 5 GFBDHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OCC ZINC000784708040 657322943 /nfs/dbraw/zinc/32/29/43/657322943.db2.gz XWHRCIZQAWUNOE-VLWUPBBWSA-N -1 3 390.845 2.733 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000848509160 661658945 /nfs/dbraw/zinc/65/89/45/661658945.db2.gz UQNIDFPSOINVMH-STQMWFEESA-N -1 3 391.852 2.683 20 5 GFBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000849461027 661729934 /nfs/dbraw/zinc/72/99/34/661729934.db2.gz SJPODHIGRDFDLV-MWLCHTKSSA-N -1 3 393.259 2.593 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1 ZINC000057020966 222028650 /nfs/dbraw/zinc/02/86/50/222028650.db2.gz MWSYAQZVYKCDRK-UHFFFAOYSA-N -1 3 392.824 2.912 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000125516522 551322109 /nfs/dbraw/zinc/32/21/09/551322109.db2.gz CLYXRAWUCCUCHU-BXUZGUMPSA-N -1 3 384.479 2.798 20 5 GFBDHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000158233297 551548396 /nfs/dbraw/zinc/54/83/96/551548396.db2.gz CTYSFTVQWWXYES-GFCCVEGCSA-N -1 3 384.376 2.689 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000162310108 551606635 /nfs/dbraw/zinc/60/66/35/551606635.db2.gz IIZJMCSFPKBDOG-INIZCTEOSA-N -1 3 384.841 2.575 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000173489809 552086506 /nfs/dbraw/zinc/08/65/06/552086506.db2.gz QXYKHJHGRDHLOO-CQSZACIVSA-N -1 3 383.451 2.798 20 5 GFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183375726 552307224 /nfs/dbraw/zinc/30/72/24/552307224.db2.gz OMWJKJGEFCKUJS-ZDUSSCGKSA-N -1 3 381.841 2.805 20 5 GFBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000184295060 552331692 /nfs/dbraw/zinc/33/16/92/552331692.db2.gz TYEBMUXNJYOIAP-UHFFFAOYSA-N -1 3 376.785 2.996 20 5 GFBDHM Cc1ccc([O-])c(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000543372848 564347917 /nfs/dbraw/zinc/34/79/17/564347917.db2.gz FFRYNKZHGSDLSM-UHFFFAOYSA-N -1 3 399.144 2.861 20 5 GFBDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000420728825 563279388 /nfs/dbraw/zinc/27/93/88/563279388.db2.gz PYCBVQZODNYIRL-MNOVXSKESA-N -1 3 382.360 2.850 20 5 GFBDHM Cn1cc(-c2ccccc2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000372291954 563301313 /nfs/dbraw/zinc/30/13/13/563301313.db2.gz UBSZOPIOWIMDHD-UHFFFAOYSA-N -1 3 378.435 2.535 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]c2ccncc2Br)c([N+](=O)[O-])c1 ZINC000318933433 563445146 /nfs/dbraw/zinc/44/51/46/563445146.db2.gz PHCAGNVLUXABAV-UHFFFAOYSA-N -1 3 388.199 2.562 20 5 GFBDHM O=C([N-]c1cncnc1-n1cccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000377537723 563478580 /nfs/dbraw/zinc/47/85/80/563478580.db2.gz NNXLTQUQEYYIGX-UHFFFAOYSA-N -1 3 395.198 2.647 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000392604764 563527229 /nfs/dbraw/zinc/52/72/29/563527229.db2.gz GHJOYZLSYKJISV-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000285712268 563533180 /nfs/dbraw/zinc/53/31/80/563533180.db2.gz TWSDLEYZISPGGU-NXEZZACHSA-N -1 3 382.360 2.565 20 5 GFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000290641303 563717043 /nfs/dbraw/zinc/71/70/43/563717043.db2.gz DKOGJOWMYYJTBS-LURJTMIESA-N -1 3 394.240 2.622 20 5 GFBDHM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000290641303 563717045 /nfs/dbraw/zinc/71/70/45/563717045.db2.gz DKOGJOWMYYJTBS-LURJTMIESA-N -1 3 394.240 2.622 20 5 GFBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000416373048 563819071 /nfs/dbraw/zinc/81/90/71/563819071.db2.gz LLNHABZCUWLKGG-UHFFFAOYSA-N -1 3 395.384 2.900 20 5 GFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416418527 563826353 /nfs/dbraw/zinc/82/63/53/563826353.db2.gz RDQHULAEFQARCQ-NSHDSACASA-N -1 3 385.467 2.854 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](O)C(C)C ZINC000416630541 563855716 /nfs/dbraw/zinc/85/57/16/563855716.db2.gz UHODYLYBKYYJRF-WCQYABFASA-N -1 3 384.376 2.687 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCC(F)(F)F)c(Cl)c1 ZINC000539857136 564230810 /nfs/dbraw/zinc/23/08/10/564230810.db2.gz JWQRTYGKABCABV-UHFFFAOYSA-N -1 3 378.781 2.822 20 5 GFBDHM C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000541386406 564276690 /nfs/dbraw/zinc/27/66/90/564276690.db2.gz JXZDARDDHPTYAF-GFCCVEGCSA-N -1 3 375.878 2.791 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000451613103 564331006 /nfs/dbraw/zinc/33/10/06/564331006.db2.gz MKIBVEUHLQQCNY-LLVKDONJSA-N -1 3 380.447 2.771 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511390898 564371028 /nfs/dbraw/zinc/37/10/28/564371028.db2.gz LQPOUBKQZGTPTP-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000480854895 564491211 /nfs/dbraw/zinc/49/12/11/564491211.db2.gz UXKNLCZTCSBVHQ-HNNXBMFYSA-N -1 3 376.862 2.858 20 5 GFBDHM O=C(Cc1ccc(Br)cc1[O-])NCCc1ccccc1[N+](=O)[O-] ZINC000547767131 564510591 /nfs/dbraw/zinc/51/05/91/564510591.db2.gz KKLSFGAYZSVZQF-UHFFFAOYSA-N -1 3 379.210 2.964 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000551484189 564651519 /nfs/dbraw/zinc/65/15/19/564651519.db2.gz INKXDEMXYXNUKM-UHFFFAOYSA-N -1 3 393.755 2.723 20 5 GFBDHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)OC ZINC000490579206 564777716 /nfs/dbraw/zinc/77/77/16/564777716.db2.gz KXHGJZCGLCOCEF-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000491590366 564793791 /nfs/dbraw/zinc/79/37/91/564793791.db2.gz ZJQUDGKRIRUYLG-VHSXEESVSA-N -1 3 378.447 2.695 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c(Cl)c1 ZINC000461790407 564805048 /nfs/dbraw/zinc/80/50/48/564805048.db2.gz IILXDGYDZUVZST-GFCCVEGCSA-N -1 3 376.862 2.715 20 5 GFBDHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462431877 564838652 /nfs/dbraw/zinc/83/86/52/564838652.db2.gz YJPUTYWGHIFKJG-SECBINFHSA-N -1 3 384.285 2.910 20 5 GFBDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000557370834 564860915 /nfs/dbraw/zinc/86/09/15/564860915.db2.gz PGVRDRIACKAYRU-UHFFFAOYSA-N -1 3 387.776 2.548 20 5 GFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000466922833 564950335 /nfs/dbraw/zinc/95/03/35/564950335.db2.gz DZIAEHGVRGEOBH-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000466922833 564950337 /nfs/dbraw/zinc/95/03/37/564950337.db2.gz DZIAEHGVRGEOBH-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000467423142 564963341 /nfs/dbraw/zinc/96/33/41/564963341.db2.gz LBVWQHDYQBNLLE-UHFFFAOYSA-N -1 3 386.451 2.503 20 5 GFBDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000533577479 564967054 /nfs/dbraw/zinc/96/70/54/564967054.db2.gz DNGXBFCDKHUZIA-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470639059 565051644 /nfs/dbraw/zinc/05/16/44/565051644.db2.gz OTJFPSYTIYYYOI-UHFFFAOYSA-N -1 3 382.764 2.892 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000585739780 565108851 /nfs/dbraw/zinc/10/88/51/565108851.db2.gz HSYRGXWDXQMDSA-UHFFFAOYSA-N -1 3 380.813 2.646 20 5 GFBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547517 565340584 /nfs/dbraw/zinc/34/05/84/565340584.db2.gz RZQHOYGOVOVQKN-MEBBXXQBSA-N -1 3 385.829 2.698 20 5 GFBDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572868 565343625 /nfs/dbraw/zinc/34/36/25/565343625.db2.gz MTMDHDZRLYBISV-MEBBXXQBSA-N -1 3 385.829 2.698 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)nc1 ZINC000593574052 565344298 /nfs/dbraw/zinc/34/42/98/565344298.db2.gz XMMRQUDABUHNDO-CYBMUJFWSA-N -1 3 383.813 2.835 20 5 GFBDHM O=[N+]([O-])c1ccsc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000619746170 565357892 /nfs/dbraw/zinc/35/78/92/565357892.db2.gz TZEXTLQHIJXUDF-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CC2(C(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000595393874 565472324 /nfs/dbraw/zinc/47/23/24/565472324.db2.gz CNEGYKPDAVFPEZ-UHFFFAOYSA-N -1 3 390.483 2.755 20 5 GFBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459857 565680549 /nfs/dbraw/zinc/68/05/49/565680549.db2.gz OSFCVMVARBZASZ-VXFNFUGZSA-N -1 3 382.360 2.704 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000608781130 566023356 /nfs/dbraw/zinc/02/33/56/566023356.db2.gz NOSNRWAFLZKTHY-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000610759131 566097302 /nfs/dbraw/zinc/09/73/02/566097302.db2.gz QXKHNXSSASQXGG-UHFFFAOYSA-N -1 3 385.829 2.563 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Br)c1 ZINC000610957371 566107649 /nfs/dbraw/zinc/10/76/49/566107649.db2.gz FQFITBWHFBXBHK-ZETCQYMHSA-N -1 3 385.186 2.823 20 5 GFBDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000611016148 566110841 /nfs/dbraw/zinc/11/08/41/566110841.db2.gz IBEKUSRYPKCQCG-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737802064 598834346 /nfs/dbraw/zinc/83/43/46/598834346.db2.gz OMBHZBHIZLROOL-RAXLEYEMSA-N -1 3 392.419 2.927 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737802064 598834347 /nfs/dbraw/zinc/83/43/47/598834347.db2.gz OMBHZBHIZLROOL-RAXLEYEMSA-N -1 3 392.419 2.927 20 5 GFBDHM Cc1noc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1 ZINC000737545280 598915029 /nfs/dbraw/zinc/91/50/29/598915029.db2.gz DVUICKNQHMNUOF-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM Cc1noc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1 ZINC000737545280 598915032 /nfs/dbraw/zinc/91/50/32/598915032.db2.gz DVUICKNQHMNUOF-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737301450 598955550 /nfs/dbraw/zinc/95/55/50/598955550.db2.gz OBKIKPWIRSTIJV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737301450 598955551 /nfs/dbraw/zinc/95/55/51/598955551.db2.gz OBKIKPWIRSTIJV-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCc1ccccc1[N+](=O)[O-] ZINC000822336879 599060483 /nfs/dbraw/zinc/06/04/83/599060483.db2.gz SJLFEEZOIZWOLM-UHFFFAOYSA-N -1 3 375.392 2.708 20 5 GFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCc1ccccc1[N+](=O)[O-] ZINC000822336879 599060486 /nfs/dbraw/zinc/06/04/86/599060486.db2.gz SJLFEEZOIZWOLM-UHFFFAOYSA-N -1 3 375.392 2.708 20 5 GFBDHM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000735707214 599062526 /nfs/dbraw/zinc/06/25/26/599062526.db2.gz HHBUVGFDWMZIFY-CQSZACIVSA-N -1 3 391.432 2.736 20 5 GFBDHM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000735707214 599062528 /nfs/dbraw/zinc/06/25/28/599062528.db2.gz HHBUVGFDWMZIFY-CQSZACIVSA-N -1 3 391.432 2.736 20 5 GFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000822191656 599090493 /nfs/dbraw/zinc/09/04/93/599090493.db2.gz NCWIXYVKZDKLQR-UHFFFAOYSA-N -1 3 395.423 2.835 20 5 GFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000822191656 599090495 /nfs/dbraw/zinc/09/04/95/599090495.db2.gz NCWIXYVKZDKLQR-UHFFFAOYSA-N -1 3 395.423 2.835 20 5 GFBDHM Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822109498 607267243 /nfs/dbraw/zinc/26/72/43/607267243.db2.gz RLVOOCBLAFQNCF-UHFFFAOYSA-N -1 3 393.407 2.936 20 5 GFBDHM Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822109498 607267244 /nfs/dbraw/zinc/26/72/44/607267244.db2.gz RLVOOCBLAFQNCF-UHFFFAOYSA-N -1 3 393.407 2.936 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000738361714 599269989 /nfs/dbraw/zinc/26/99/89/599269989.db2.gz ZBCXIKDWXJZFMV-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000738361714 599269991 /nfs/dbraw/zinc/26/99/91/599269991.db2.gz ZBCXIKDWXJZFMV-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM CC(C)Cn1ccnc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820108710 607326913 /nfs/dbraw/zinc/32/69/13/607326913.db2.gz PEECHBODKBZVOH-UHFFFAOYSA-N -1 3 393.411 2.788 20 5 GFBDHM CC(C)Cn1ccnc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820108710 607326914 /nfs/dbraw/zinc/32/69/14/607326914.db2.gz PEECHBODKBZVOH-UHFFFAOYSA-N -1 3 393.411 2.788 20 5 GFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000736746929 598311995 /nfs/dbraw/zinc/31/19/95/598311995.db2.gz CNMUGGGXSSVGQB-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000736746929 598311997 /nfs/dbraw/zinc/31/19/97/598311997.db2.gz CNMUGGGXSSVGQB-UHFFFAOYSA-N -1 3 376.735 2.844 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737511357 598339955 /nfs/dbraw/zinc/33/99/55/598339955.db2.gz KCCYQMHLZDJALR-LBPRGKRZSA-N -1 3 388.819 2.812 20 5 GFBDHM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737511357 598339956 /nfs/dbraw/zinc/33/99/56/598339956.db2.gz KCCYQMHLZDJALR-LBPRGKRZSA-N -1 3 388.819 2.812 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCc3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000738373892 598498621 /nfs/dbraw/zinc/49/86/21/598498621.db2.gz JOSDVXUXVAAPFG-UHFFFAOYSA-N -1 3 390.363 2.888 20 5 GFBDHM O=[N+]([O-])c1cnc(Nc2cccc(OCc3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000738373892 598498622 /nfs/dbraw/zinc/49/86/22/598498622.db2.gz JOSDVXUXVAAPFG-UHFFFAOYSA-N -1 3 390.363 2.888 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000736674550 598513934 /nfs/dbraw/zinc/51/39/34/598513934.db2.gz DFPVDLIQFYOWLZ-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000736674550 598513936 /nfs/dbraw/zinc/51/39/36/598513936.db2.gz DFPVDLIQFYOWLZ-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM O=[N+]([O-])c1cnccc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738374990 598551700 /nfs/dbraw/zinc/55/17/00/598551700.db2.gz WXYUOEKLOPOCIX-UHFFFAOYSA-N -1 3 389.375 2.914 20 5 GFBDHM O=[N+]([O-])c1cnccc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738374990 598551702 /nfs/dbraw/zinc/55/17/02/598551702.db2.gz WXYUOEKLOPOCIX-UHFFFAOYSA-N -1 3 389.375 2.914 20 5 GFBDHM Cc1cc(Br)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737230481 598675833 /nfs/dbraw/zinc/67/58/33/598675833.db2.gz GBRGFLMXAAXVNL-UHFFFAOYSA-N -1 3 390.201 2.853 20 5 GFBDHM Cc1cc(Br)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737230481 598675834 /nfs/dbraw/zinc/67/58/34/598675834.db2.gz GBRGFLMXAAXVNL-UHFFFAOYSA-N -1 3 390.201 2.853 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000735914671 598787410 /nfs/dbraw/zinc/78/74/10/598787410.db2.gz YBBZSHBKEJWGHA-UHFFFAOYSA-N -1 3 389.393 2.981 20 5 GFBDHM O=[N+]([O-])c1ccccc1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738368077 598802859 /nfs/dbraw/zinc/80/28/59/598802859.db2.gz CXPLBEURLGOUQK-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccccc1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738368077 598802860 /nfs/dbraw/zinc/80/28/60/598802860.db2.gz CXPLBEURLGOUQK-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc4c3OCO4)cc(-c3nnn[n-]3)c2c1 ZINC000823645607 599491814 /nfs/dbraw/zinc/49/18/14/599491814.db2.gz UYJACWRQPPCJCY-UHFFFAOYSA-N -1 3 391.347 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc4c3OCO4)cc(-c3nn[n-]n3)c2c1 ZINC000823645607 599491816 /nfs/dbraw/zinc/49/18/16/599491816.db2.gz UYJACWRQPPCJCY-UHFFFAOYSA-N -1 3 391.347 2.664 20 5 GFBDHM CCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000820962425 599688842 /nfs/dbraw/zinc/68/88/42/599688842.db2.gz QSHDWMSWBNRXIG-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM CCC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000820962425 599688843 /nfs/dbraw/zinc/68/88/43/599688843.db2.gz QSHDWMSWBNRXIG-UHFFFAOYSA-N -1 3 383.412 2.942 20 5 GFBDHM Cc1c(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236514 607390769 /nfs/dbraw/zinc/39/07/69/607390769.db2.gz POXOPWCJOYNFSL-UHFFFAOYSA-N -1 3 392.375 2.622 20 5 GFBDHM Cc1c(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236514 607390772 /nfs/dbraw/zinc/39/07/72/607390772.db2.gz POXOPWCJOYNFSL-UHFFFAOYSA-N -1 3 392.375 2.622 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826253720 607409451 /nfs/dbraw/zinc/40/94/51/607409451.db2.gz AFPBLRUYZNZQCT-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000826253720 607409453 /nfs/dbraw/zinc/40/94/53/607409453.db2.gz AFPBLRUYZNZQCT-UHFFFAOYSA-N -1 3 378.348 2.922 20 5 GFBDHM CCc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000825704906 607420527 /nfs/dbraw/zinc/42/05/27/607420527.db2.gz PSNVRIVIGZQQDZ-UHFFFAOYSA-N -1 3 378.392 2.756 20 5 GFBDHM CCc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825704906 607420529 /nfs/dbraw/zinc/42/05/29/607420529.db2.gz PSNVRIVIGZQQDZ-UHFFFAOYSA-N -1 3 378.392 2.756 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826400888 607426065 /nfs/dbraw/zinc/42/60/65/607426065.db2.gz KPKNNTJOEMKYCE-RMKNXTFCSA-N -1 3 376.376 2.594 20 5 GFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826400888 607426067 /nfs/dbraw/zinc/42/60/67/607426067.db2.gz KPKNNTJOEMKYCE-RMKNXTFCSA-N -1 3 376.376 2.594 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832097755 601206519 /nfs/dbraw/zinc/20/65/19/601206519.db2.gz KVYIYEYPUQWWDL-XIKOKIGWSA-N -1 3 387.392 2.594 20 5 GFBDHM O=C([O-])CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000833206115 601560679 /nfs/dbraw/zinc/56/06/79/601560679.db2.gz ZFGSPSNEYONBIS-UHFFFAOYSA-N -1 3 377.422 2.832 20 5 GFBDHM Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000832849680 601731237 /nfs/dbraw/zinc/73/12/37/601731237.db2.gz OHIQWYXKAJNESF-NRFANRHFSA-N -1 3 397.431 2.752 20 5 GFBDHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C[C@@H]21 ZINC000834186496 605332925 /nfs/dbraw/zinc/33/29/25/605332925.db2.gz WLNQJDFBTYYAQH-FHLIZLRMSA-N -1 3 385.424 2.784 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822213163 606136255 /nfs/dbraw/zinc/13/62/55/606136255.db2.gz XBRNPMFIJHHPON-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822213163 606136256 /nfs/dbraw/zinc/13/62/56/606136256.db2.gz XBRNPMFIJHHPON-UHFFFAOYSA-N -1 3 379.424 2.800 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508675 606339528 /nfs/dbraw/zinc/33/95/28/606339528.db2.gz UZSIMDVCRMHLKQ-NSHDSACASA-N -1 3 382.380 2.759 20 5 GFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508675 606339530 /nfs/dbraw/zinc/33/95/30/606339530.db2.gz UZSIMDVCRMHLKQ-NSHDSACASA-N -1 3 382.380 2.759 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822201177 606471003 /nfs/dbraw/zinc/47/10/03/606471003.db2.gz UNYWVDUPNUBBIT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822201177 606471005 /nfs/dbraw/zinc/47/10/05/606471005.db2.gz UNYWVDUPNUBBIT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823421932 606561751 /nfs/dbraw/zinc/56/17/51/606561751.db2.gz KGJDKAVFYQFQRC-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823421932 606561753 /nfs/dbraw/zinc/56/17/53/606561753.db2.gz KGJDKAVFYQFQRC-UHFFFAOYSA-N -1 3 379.254 2.549 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000822505586 606615244 /nfs/dbraw/zinc/61/52/44/606615244.db2.gz NUQIVIMOKWMRAU-LLVKDONJSA-N -1 3 376.380 2.951 20 5 GFBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000822505586 606615246 /nfs/dbraw/zinc/61/52/46/606615246.db2.gz NUQIVIMOKWMRAU-LLVKDONJSA-N -1 3 376.380 2.951 20 5 GFBDHM Cc1ccc([C@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230324 606623218 /nfs/dbraw/zinc/62/32/18/606623218.db2.gz CPEXWEULQCCQBK-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1ccc([C@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822230324 606623220 /nfs/dbraw/zinc/62/32/20/606623220.db2.gz CPEXWEULQCCQBK-LBPRGKRZSA-N -1 3 383.364 2.767 20 5 GFBDHM Cc1cnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822395187 606642793 /nfs/dbraw/zinc/64/27/93/606642793.db2.gz VMKNISZTJGNBIH-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM Cc1cnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822395187 606642794 /nfs/dbraw/zinc/64/27/94/606642794.db2.gz VMKNISZTJGNBIH-UHFFFAOYSA-N -1 3 380.412 2.559 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820462329 606728682 /nfs/dbraw/zinc/72/86/82/606728682.db2.gz XTBAYCRDYSQHNY-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820462329 606728684 /nfs/dbraw/zinc/72/86/84/606728684.db2.gz XTBAYCRDYSQHNY-LLVKDONJSA-N -1 3 377.368 2.529 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000823651144 606878071 /nfs/dbraw/zinc/87/80/71/606878071.db2.gz GYSIOEYIHGNHEQ-GFCCVEGCSA-N -1 3 383.393 2.530 20 5 GFBDHM O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000823651144 606878072 /nfs/dbraw/zinc/87/80/72/606878072.db2.gz GYSIOEYIHGNHEQ-GFCCVEGCSA-N -1 3 383.393 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc(-c3nnn[n-]3)c2c1 ZINC000826499306 607821950 /nfs/dbraw/zinc/82/19/50/607821950.db2.gz DJLISONWFXXVMI-JECHBYEQSA-N -1 3 393.407 2.693 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc(-c3nn[n-]n3)c2c1 ZINC000826499306 607821951 /nfs/dbraw/zinc/82/19/51/607821951.db2.gz DJLISONWFXXVMI-JECHBYEQSA-N -1 3 393.407 2.693 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824747205 607833224 /nfs/dbraw/zinc/83/32/24/607833224.db2.gz ZEWATQSWOYRAGX-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824747205 607833225 /nfs/dbraw/zinc/83/32/25/607833225.db2.gz ZEWATQSWOYRAGX-LBPRGKRZSA-N -1 3 394.391 2.522 20 5 GFBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826004161 607848412 /nfs/dbraw/zinc/84/84/12/607848412.db2.gz LHPYOZRTOWAYSK-UHFFFAOYSA-N -1 3 384.787 2.872 20 5 GFBDHM CN(Cn1ncc2cc([N+](=O)[O-])ccc21)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826004161 607848413 /nfs/dbraw/zinc/84/84/13/607848413.db2.gz LHPYOZRTOWAYSK-UHFFFAOYSA-N -1 3 384.787 2.872 20 5 GFBDHM Cc1ccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826291806 607863487 /nfs/dbraw/zinc/86/34/87/607863487.db2.gz WRFORFQSUDROMY-UHFFFAOYSA-N -1 3 385.405 2.922 20 5 GFBDHM Cc1ccc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826291806 607863488 /nfs/dbraw/zinc/86/34/88/607863488.db2.gz WRFORFQSUDROMY-UHFFFAOYSA-N -1 3 385.405 2.922 20 5 GFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470152 607951113 /nfs/dbraw/zinc/95/11/13/607951113.db2.gz FIYQXBUFFSIHTF-UHFFFAOYSA-N -1 3 376.332 2.724 20 5 GFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470152 607951114 /nfs/dbraw/zinc/95/11/14/607951114.db2.gz FIYQXBUFFSIHTF-UHFFFAOYSA-N -1 3 376.332 2.724 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826497389 607969072 /nfs/dbraw/zinc/96/90/72/607969072.db2.gz FVLOMYQSCSHVCN-CYBMUJFWSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826497389 607969073 /nfs/dbraw/zinc/96/90/73/607969073.db2.gz FVLOMYQSCSHVCN-CYBMUJFWSA-N -1 3 394.313 2.939 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826421380 607979829 /nfs/dbraw/zinc/97/98/29/607979829.db2.gz FWRGMUCXRLMQAC-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826421380 607979830 /nfs/dbraw/zinc/97/98/30/607979830.db2.gz FWRGMUCXRLMQAC-UHFFFAOYSA-N -1 3 378.348 2.542 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000153704804 608115146 /nfs/dbraw/zinc/11/51/46/608115146.db2.gz WFVACMVNCJEDEW-UHFFFAOYSA-N -1 3 384.421 2.817 20 5 GFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000153704804 608115147 /nfs/dbraw/zinc/11/51/47/608115147.db2.gz WFVACMVNCJEDEW-UHFFFAOYSA-N -1 3 384.421 2.817 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826171948 608373013 /nfs/dbraw/zinc/37/30/13/608373013.db2.gz GKRHGJJVRYGVSS-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826171948 608373015 /nfs/dbraw/zinc/37/30/15/608373015.db2.gz GKRHGJJVRYGVSS-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826185490 608478983 /nfs/dbraw/zinc/47/89/83/608478983.db2.gz LILCCJUMOSUWKL-JTQLQIEISA-N -1 3 383.368 2.666 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826185490 608478985 /nfs/dbraw/zinc/47/89/85/608478985.db2.gz LILCCJUMOSUWKL-JTQLQIEISA-N -1 3 383.368 2.666 20 5 GFBDHM CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825953314 608507075 /nfs/dbraw/zinc/50/70/75/608507075.db2.gz DSGTWCBVJRZXLG-UHFFFAOYSA-N -1 3 398.814 2.708 20 5 GFBDHM CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825953314 608507077 /nfs/dbraw/zinc/50/70/77/608507077.db2.gz DSGTWCBVJRZXLG-UHFFFAOYSA-N -1 3 398.814 2.708 20 5 GFBDHM CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825141424 608552181 /nfs/dbraw/zinc/55/21/81/608552181.db2.gz OHYDZJAXJASWRS-CQSZACIVSA-N -1 3 399.411 2.664 20 5 GFBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826499000 608559160 /nfs/dbraw/zinc/55/91/60/608559160.db2.gz RHWQHYUYIVLSSQ-UHFFFAOYSA-N -1 3 381.396 2.972 20 5 GFBDHM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826499000 608559162 /nfs/dbraw/zinc/55/91/62/608559162.db2.gz RHWQHYUYIVLSSQ-UHFFFAOYSA-N -1 3 381.396 2.972 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826500405 608851490 /nfs/dbraw/zinc/85/14/90/608851490.db2.gz XOHKZJIGDJRDKM-AMGQUURNSA-N -1 3 392.419 2.862 20 5 GFBDHM O=[N+]([O-])c1ccccc1C=CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826500405 608851491 /nfs/dbraw/zinc/85/14/91/608851491.db2.gz XOHKZJIGDJRDKM-AMGQUURNSA-N -1 3 392.419 2.862 20 5 GFBDHM Cc1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000826336503 609305970 /nfs/dbraw/zinc/30/59/70/609305970.db2.gz AMXMTSOVUISIOZ-UHFFFAOYSA-N -1 3 387.425 2.743 20 5 GFBDHM Cc1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000826336503 609305972 /nfs/dbraw/zinc/30/59/72/609305972.db2.gz AMXMTSOVUISIOZ-UHFFFAOYSA-N -1 3 387.425 2.743 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000825972283 609313498 /nfs/dbraw/zinc/31/34/98/609313498.db2.gz ZEXOWTHUFDZGGD-UHFFFAOYSA-N -1 3 388.334 2.525 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000825972283 609313500 /nfs/dbraw/zinc/31/35/00/609313500.db2.gz ZEXOWTHUFDZGGD-UHFFFAOYSA-N -1 3 388.334 2.525 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cnc1N1CCCC[C@@H]1C ZINC000826271567 609563659 /nfs/dbraw/zinc/56/36/59/609563659.db2.gz XGLMHEIHTARVJS-LBPRGKRZSA-N -1 3 395.427 2.996 20 5 GFBDHM Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cnc1N1CCCC[C@@H]1C ZINC000826271567 609563663 /nfs/dbraw/zinc/56/36/63/609563663.db2.gz XGLMHEIHTARVJS-LBPRGKRZSA-N -1 3 395.427 2.996 20 5 GFBDHM Cc1cc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826270497 609575085 /nfs/dbraw/zinc/57/50/85/609575085.db2.gz CIMLPRAHPYGWOD-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1cc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000826270497 609575087 /nfs/dbraw/zinc/57/50/87/609575087.db2.gz CIMLPRAHPYGWOD-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000044761023 654663582 /nfs/dbraw/zinc/66/35/82/654663582.db2.gz MRHRTKMPBHBSFO-LBPRGKRZSA-N -1 3 389.886 2.891 20 5 GFBDHM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC000266203687 654862473 /nfs/dbraw/zinc/86/24/73/654862473.db2.gz DTZVFSMIKCGHOP-JTQLQIEISA-N -1 3 385.833 2.560 20 5 GFBDHM CCOC(=O)C(C)(C)n1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000134180965 654985534 /nfs/dbraw/zinc/98/55/34/654985534.db2.gz XUNFPBGLOFAKQH-UHFFFAOYSA-N -1 3 398.217 2.991 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000292917476 655357026 /nfs/dbraw/zinc/35/70/26/655357026.db2.gz XQWFOENRUJWPPB-SNVBAGLBSA-N -1 3 397.356 2.642 20 5 GFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000473844464 655414775 /nfs/dbraw/zinc/41/47/75/655414775.db2.gz BOHUWFQGQYHNJP-LBPRGKRZSA-N -1 3 381.186 2.606 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H](C)O1 ZINC000245568672 655427930 /nfs/dbraw/zinc/42/79/30/655427930.db2.gz GCDKHDAXIDFXRF-ILWJIGKKSA-N -1 3 393.259 2.592 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000725822973 655527010 /nfs/dbraw/zinc/52/70/10/655527010.db2.gz PEBJIOMRKSZKIW-VXGBXAGGSA-N -1 3 375.878 2.647 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccs2)c(Cl)c1 ZINC000751439026 655827446 /nfs/dbraw/zinc/82/74/46/655827446.db2.gz XUPWNOLNENULLV-LLVKDONJSA-N -1 3 376.843 2.712 20 5 GFBDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000753954196 655861426 /nfs/dbraw/zinc/86/14/26/655861426.db2.gz QMXXZUDJRSDYED-UHFFFAOYSA-N -1 3 388.760 2.975 20 5 GFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1cccc(Br)c1 ZINC000759168258 655949885 /nfs/dbraw/zinc/94/98/85/655949885.db2.gz OHKMVUZDQNBELI-VURMDHGXSA-N -1 3 399.226 2.670 20 5 GFBDHM O=Cc1ccc(OCC(=O)Nc2cc(Br)ccc2[O-])c([N+](=O)[O-])c1 ZINC000759704620 655961543 /nfs/dbraw/zinc/96/15/43/655961543.db2.gz GUPZZAGXJOWROQ-UHFFFAOYSA-N -1 3 395.165 2.893 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000785395810 657359485 /nfs/dbraw/zinc/35/94/85/657359485.db2.gz CTEVEPWQFSPMMV-CYBMUJFWSA-N -1 3 392.767 2.538 20 5 GFBDHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)cc12 ZINC000788215897 657673896 /nfs/dbraw/zinc/67/38/96/657673896.db2.gz CJYCBMCWSQDFSQ-UHFFFAOYSA-N -1 3 381.801 2.639 20 5 GFBDHM Cc1ccc([C@H](O)[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000796109887 658892913 /nfs/dbraw/zinc/89/29/13/658892913.db2.gz YAYSRNPDWFIWIC-MEDUHNTESA-N -1 3 384.841 2.957 20 5 GFBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000809390809 659925790 /nfs/dbraw/zinc/92/57/90/659925790.db2.gz INILBVQIVOPCDO-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000814990024 660100384 /nfs/dbraw/zinc/10/03/84/660100384.db2.gz YEVTWDZADIMCFK-QWRGUYRKSA-N -1 3 393.868 2.929 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(C)C ZINC000841569521 661304781 /nfs/dbraw/zinc/30/47/81/661304781.db2.gz AJTSBGYSPQXXQV-NSHDSACASA-N -1 3 395.275 2.697 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1(F)F ZINC000849461265 661730214 /nfs/dbraw/zinc/73/02/14/661730214.db2.gz WBHFVMSXHPJAES-JTQLQIEISA-N -1 3 385.186 2.681 20 5 GFBDHM O=[N+]([O-])c1c(F)cccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000049980555 551159859 /nfs/dbraw/zinc/15/98/59/551159859.db2.gz SDGHNFINMWNPDS-UHFFFAOYSA-N -1 3 385.442 2.743 20 5 GFBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000056074046 551176724 /nfs/dbraw/zinc/17/67/24/551176724.db2.gz RYNQKBWOTCQIJH-UHFFFAOYSA-N -1 3 385.829 2.909 20 5 GFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000056122144 551177062 /nfs/dbraw/zinc/17/70/62/551177062.db2.gz KOGAADUXQSSIDX-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC000159824468 551571639 /nfs/dbraw/zinc/57/16/39/551571639.db2.gz AHJHATFUZPLKRS-UHFFFAOYSA-N -1 3 382.360 2.587 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000173539541 552087782 /nfs/dbraw/zinc/08/77/82/552087782.db2.gz PEKNHGVAQCUOGX-ZIAGYGMSSA-N -1 3 384.845 2.907 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cccn2)c1 ZINC000173826442 552093028 /nfs/dbraw/zinc/09/30/28/552093028.db2.gz TUZOUKMUABVFPF-LLVKDONJSA-N -1 3 378.435 2.882 20 5 GFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000189799507 552480452 /nfs/dbraw/zinc/48/04/52/552480452.db2.gz UVRKLWTYJLHBAR-CYBMUJFWSA-N -1 3 383.495 2.854 20 5 GFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000195416936 553047799 /nfs/dbraw/zinc/04/77/99/553047799.db2.gz MRLNVNBVZWFEKP-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc([N-]CC(F)(F)F)s2)n1 ZINC000286165751 563551180 /nfs/dbraw/zinc/55/11/80/563551180.db2.gz IKNAZHOHMWBSRT-UHFFFAOYSA-N -1 3 395.344 2.753 20 5 GFBDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000433463686 563613581 /nfs/dbraw/zinc/61/35/81/563613581.db2.gz ADTMEERILCYXDS-UHFFFAOYSA-N -1 3 390.845 2.793 20 5 GFBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000364642532 563760367 /nfs/dbraw/zinc/76/03/67/563760367.db2.gz IYHDRHNAFLZQNX-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1Br ZINC000292190448 563778094 /nfs/dbraw/zinc/77/80/94/563778094.db2.gz FYVYAYCCKHNVHV-UHFFFAOYSA-N -1 3 385.186 2.681 20 5 GFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000416366941 563818414 /nfs/dbraw/zinc/81/84/14/563818414.db2.gz DKFGPXCJJYNRSK-LBPRGKRZSA-N -1 3 384.435 2.873 20 5 GFBDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394783 563822522 /nfs/dbraw/zinc/82/25/22/563822522.db2.gz ZLKFYZROBGVSBN-GXSJLCMTSA-N -1 3 382.360 2.850 20 5 GFBDHM CCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000416438845 563828307 /nfs/dbraw/zinc/82/83/07/563828307.db2.gz KRXMNJYEDDGVOH-UHFFFAOYSA-N -1 3 382.360 2.851 20 5 GFBDHM O=C(Nc1nc(Sc2ccccc2)ns1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445179698 563845120 /nfs/dbraw/zinc/84/51/20/563845120.db2.gz KXJQYEYOEJLCNM-UHFFFAOYSA-N -1 3 375.391 2.950 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601798 563851858 /nfs/dbraw/zinc/85/18/58/563851858.db2.gz WMHJTLFHCOYLFO-VXNVDRBHSA-N -1 3 381.273 2.530 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000541328951 564275388 /nfs/dbraw/zinc/27/53/88/564275388.db2.gz WVUQICUSULZYSZ-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000542691299 564321174 /nfs/dbraw/zinc/32/11/74/564321174.db2.gz VLSOVKZOHRHIGY-CYBMUJFWSA-N -1 3 388.804 2.540 20 5 GFBDHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566494973 564329727 /nfs/dbraw/zinc/32/97/27/564329727.db2.gz VJTMFZPSIFUCEM-LBPRGKRZSA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824836 564355876 /nfs/dbraw/zinc/35/58/76/564355876.db2.gz PPPRHLGUANSLEA-BXUZGUMPSA-N -1 3 376.862 2.978 20 5 GFBDHM COc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cccc1[N+](=O)[O-] ZINC000511324095 564367214 /nfs/dbraw/zinc/36/72/14/564367214.db2.gz VNJKCWQAKZIIJP-UHFFFAOYSA-N -1 3 391.181 2.688 20 5 GFBDHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779324 564410847 /nfs/dbraw/zinc/41/08/47/564410847.db2.gz PMQUBLLJBHNAQY-RYUDHWBXSA-N -1 3 375.516 2.691 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000568710234 564430838 /nfs/dbraw/zinc/43/08/38/564430838.db2.gz HOLNLTJXRBIHDE-UHFFFAOYSA-N -1 3 388.199 2.567 20 5 GFBDHM CN(c1cccc([O-])c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000522957918 564659387 /nfs/dbraw/zinc/65/93/87/564659387.db2.gz ZYQPTLHMLJWQBQ-UHFFFAOYSA-N -1 3 387.211 2.888 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000576505920 564714559 /nfs/dbraw/zinc/71/45/59/564714559.db2.gz NOSLYZPRSZZOFY-INIZCTEOSA-N -1 3 382.463 2.731 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000581565999 564808165 /nfs/dbraw/zinc/80/81/65/564808165.db2.gz QLIQQZAGUVMADS-DTWKUNHWSA-N -1 3 381.223 2.835 20 5 GFBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000581566000 564808275 /nfs/dbraw/zinc/80/82/75/564808275.db2.gz QLIQQZAGUVMADS-IUCAKERBSA-N -1 3 381.223 2.835 20 5 GFBDHM COCc1nc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)OC ZINC000556496034 564827959 /nfs/dbraw/zinc/82/79/59/564827959.db2.gz XTBYPJWLRPXAGY-UHFFFAOYSA-N -1 3 385.785 2.890 20 5 GFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000557530541 564866160 /nfs/dbraw/zinc/86/61/60/564866160.db2.gz ARKRDSIVDRGEJC-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM O=[N+]([O-])c1cccc(F)c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000557640155 564870838 /nfs/dbraw/zinc/87/08/38/564870838.db2.gz QAWFIXJRAZHTJF-UHFFFAOYSA-N -1 3 379.822 2.839 20 5 GFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530617827 564889517 /nfs/dbraw/zinc/88/95/17/564889517.db2.gz IKANAKFKHHAEDT-OAHLLOKOSA-N -1 3 383.857 2.829 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533101880 564955054 /nfs/dbraw/zinc/95/50/54/564955054.db2.gz ITCIZLWBUKDPNS-UHFFFAOYSA-N -1 3 391.858 2.709 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC000592107398 565257278 /nfs/dbraw/zinc/25/72/78/565257278.db2.gz CZNQDXHKCZWKHS-OPRDCNLKSA-N -1 3 375.244 2.824 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594851761 565429527 /nfs/dbraw/zinc/42/95/27/565429527.db2.gz LRRWWBOPORVLMD-SNVBAGLBSA-N -1 3 385.186 2.681 20 5 GFBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000596210161 565515271 /nfs/dbraw/zinc/51/52/71/565515271.db2.gz KSVFNVVFBBFLBC-NSHDSACASA-N -1 3 382.214 2.721 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1c(F)cccc1Cl ZINC000738357114 599045149 /nfs/dbraw/zinc/04/51/49/599045149.db2.gz BUAWZPAEAFVBPR-ZDUSSCGKSA-N -1 3 378.751 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1c(F)cccc1Cl ZINC000738357114 599045151 /nfs/dbraw/zinc/04/51/51/599045151.db2.gz BUAWZPAEAFVBPR-ZDUSSCGKSA-N -1 3 378.751 2.713 20 5 GFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736842049 599060088 /nfs/dbraw/zinc/06/00/88/599060088.db2.gz MOYNBHDYRYSBNP-INIZCTEOSA-N -1 3 379.424 2.880 20 5 GFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000736842049 599060091 /nfs/dbraw/zinc/06/00/91/599060091.db2.gz MOYNBHDYRYSBNP-INIZCTEOSA-N -1 3 379.424 2.880 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821678345 599090054 /nfs/dbraw/zinc/09/00/54/599090054.db2.gz MQULVTYMXKESKN-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821678345 599090057 /nfs/dbraw/zinc/09/00/57/599090057.db2.gz MQULVTYMXKESKN-ZDUSSCGKSA-N -1 3 375.776 2.623 20 5 GFBDHM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)o2)c(-c2nnn[n-]2)c1 ZINC000823650882 599142720 /nfs/dbraw/zinc/14/27/20/599142720.db2.gz CNGKNJGJNRCLNI-UHFFFAOYSA-N -1 3 386.328 2.510 20 5 GFBDHM CCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c([N+](=O)[O-])c1 ZINC000736689212 599166421 /nfs/dbraw/zinc/16/64/21/599166421.db2.gz FEEZFIFKHQEPBF-UHFFFAOYSA-N -1 3 393.363 2.966 20 5 GFBDHM CCc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c([N+](=O)[O-])c1 ZINC000736689212 599166422 /nfs/dbraw/zinc/16/64/22/599166422.db2.gz FEEZFIFKHQEPBF-UHFFFAOYSA-N -1 3 393.363 2.966 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000736487106 599275323 /nfs/dbraw/zinc/27/53/23/599275323.db2.gz CMSHZDOJMIQFJI-UHFFFAOYSA-N -1 3 381.396 2.778 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCOc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000738373801 598386890 /nfs/dbraw/zinc/38/68/90/598386890.db2.gz HBFFAZQPGFXFEK-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCOc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000738373801 598386892 /nfs/dbraw/zinc/38/68/92/598386892.db2.gz HBFFAZQPGFXFEK-UHFFFAOYSA-N -1 3 395.301 2.680 20 5 GFBDHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738222307 598432202 /nfs/dbraw/zinc/43/22/02/598432202.db2.gz NVRDYHYJNBAZCI-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738222307 598432203 /nfs/dbraw/zinc/43/22/03/598432203.db2.gz NVRDYHYJNBAZCI-UHFFFAOYSA-N -1 3 389.755 2.664 20 5 GFBDHM Cc1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)sc1C ZINC000737474408 598500998 /nfs/dbraw/zinc/50/09/98/598500998.db2.gz NUVUFPMELKSSPM-NSHDSACASA-N -1 3 386.441 2.627 20 5 GFBDHM Cc1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)sc1C ZINC000737474408 598501000 /nfs/dbraw/zinc/50/10/00/598501000.db2.gz NUVUFPMELKSSPM-NSHDSACASA-N -1 3 386.441 2.627 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4nnn[n-]4)c(F)c3)n2)cc1 ZINC000738358941 598548570 /nfs/dbraw/zinc/54/85/70/598548570.db2.gz FZVAGNOGDBALLG-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4nn[n-]n4)c(F)c3)n2)cc1 ZINC000738358941 598548572 /nfs/dbraw/zinc/54/85/72/598548572.db2.gz FZVAGNOGDBALLG-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737374133 598576266 /nfs/dbraw/zinc/57/62/66/598576266.db2.gz XWGSFAUBAXGVOE-KRWDZBQOSA-N -1 3 393.407 2.691 20 5 GFBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738165980 598576684 /nfs/dbraw/zinc/57/66/84/598576684.db2.gz NXOCSTHMKZYIHS-OAHLLOKOSA-N -1 3 397.370 2.522 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737832743 598653960 /nfs/dbraw/zinc/65/39/60/598653960.db2.gz LBKZVMLHGBETTM-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000737832743 598653962 /nfs/dbraw/zinc/65/39/62/598653962.db2.gz LBKZVMLHGBETTM-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415453 607365866 /nfs/dbraw/zinc/36/58/66/607365866.db2.gz GKOQHQKGPXMGPV-UHFFFAOYSA-N -1 3 393.315 2.561 20 5 GFBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415453 607365868 /nfs/dbraw/zinc/36/58/68/607365868.db2.gz GKOQHQKGPXMGPV-UHFFFAOYSA-N -1 3 393.315 2.561 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737023428 599370069 /nfs/dbraw/zinc/37/00/69/599370069.db2.gz FNKWPQSGVLZMQA-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737023428 599370071 /nfs/dbraw/zinc/37/00/71/599370071.db2.gz FNKWPQSGVLZMQA-UHFFFAOYSA-N -1 3 375.728 2.656 20 5 GFBDHM CCc1nc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821510054 599495356 /nfs/dbraw/zinc/49/53/56/599495356.db2.gz UUHLSQYKHJTJRI-UHFFFAOYSA-N -1 3 396.436 2.978 20 5 GFBDHM CCc1nc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000821510054 599495359 /nfs/dbraw/zinc/49/53/59/599495359.db2.gz UUHLSQYKHJTJRI-UHFFFAOYSA-N -1 3 396.436 2.978 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820160025 607406086 /nfs/dbraw/zinc/40/60/86/607406086.db2.gz DEYVJNMPPQBNAW-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820160025 607406087 /nfs/dbraw/zinc/40/60/87/607406087.db2.gz DEYVJNMPPQBNAW-UHFFFAOYSA-N -1 3 398.379 2.580 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 ZINC000826451299 607523641 /nfs/dbraw/zinc/52/36/41/607523641.db2.gz ZSWGQECXAICEFE-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 ZINC000826451299 607523644 /nfs/dbraw/zinc/52/36/44/607523644.db2.gz ZSWGQECXAICEFE-UHFFFAOYSA-N -1 3 380.698 2.959 20 5 GFBDHM COc1ccc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826205884 607612955 /nfs/dbraw/zinc/61/29/55/607612955.db2.gz RNMISSSIGGWYKB-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM COc1ccc(COC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826205884 607612957 /nfs/dbraw/zinc/61/29/57/607612957.db2.gz RNMISSSIGGWYKB-UHFFFAOYSA-N -1 3 387.327 2.588 20 5 GFBDHM CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826902473 605483363 /nfs/dbraw/zinc/48/33/63/605483363.db2.gz CGGLXQYOUFWIEW-UHFFFAOYSA-N -1 3 378.429 2.696 20 5 GFBDHM CC[C@](C)(CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1OCCO1 ZINC000820854256 606056060 /nfs/dbraw/zinc/05/60/60/606056060.db2.gz RZEYQZRHZSLECS-QGZVFWFLSA-N -1 3 376.417 2.756 20 5 GFBDHM CC[C@](C)(CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1OCCO1 ZINC000820854256 606056065 /nfs/dbraw/zinc/05/60/65/606056065.db2.gz RZEYQZRHZSLECS-QGZVFWFLSA-N -1 3 376.417 2.756 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823346075 606267379 /nfs/dbraw/zinc/26/73/79/606267379.db2.gz HZFAPXHWATYMMW-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823346075 606267381 /nfs/dbraw/zinc/26/73/81/606267381.db2.gz HZFAPXHWATYMMW-UHFFFAOYSA-N -1 3 397.370 2.767 20 5 GFBDHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987807 606575347 /nfs/dbraw/zinc/57/53/47/606575347.db2.gz MQPKXUQGORQYNN-UHFFFAOYSA-N -1 3 385.359 2.971 20 5 GFBDHM CC(C)(NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987807 606575348 /nfs/dbraw/zinc/57/53/48/606575348.db2.gz MQPKXUQGORQYNN-UHFFFAOYSA-N -1 3 385.359 2.971 20 5 GFBDHM COCCOc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821693044 606727583 /nfs/dbraw/zinc/72/75/83/606727583.db2.gz OWGTVVKBZWPZSR-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM COCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821693044 606727584 /nfs/dbraw/zinc/72/75/84/606727584.db2.gz OWGTVVKBZWPZSR-UHFFFAOYSA-N -1 3 384.396 2.721 20 5 GFBDHM Cc1cccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822288931 606942123 /nfs/dbraw/zinc/94/21/23/606942123.db2.gz NLTSCDNBPGBLFH-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM Cc1cccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822288931 606942126 /nfs/dbraw/zinc/94/21/26/606942126.db2.gz NLTSCDNBPGBLFH-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823421738 606998941 /nfs/dbraw/zinc/99/89/41/606998941.db2.gz HKEUACKJKCLVAG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823421738 606998942 /nfs/dbraw/zinc/99/89/42/606998942.db2.gz HKEUACKJKCLVAG-UHFFFAOYSA-N -1 3 377.719 2.924 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC3(CC2)OCc2ccccc23)c(-c2nnn[n-]2)c1 ZINC000823639721 607119999 /nfs/dbraw/zinc/11/99/99/607119999.db2.gz GAPNPACIQGAQMV-UHFFFAOYSA-N -1 3 378.392 2.801 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC3(CC2)OCc2ccccc23)c(-c2nn[n-]n2)c1 ZINC000823639721 607120001 /nfs/dbraw/zinc/12/00/01/607120001.db2.gz GAPNPACIQGAQMV-UHFFFAOYSA-N -1 3 378.392 2.801 20 5 GFBDHM COC(=O)C=Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000821657628 607128212 /nfs/dbraw/zinc/12/82/12/607128212.db2.gz RRXDIRMPYILHIL-CLTKARDFSA-N -1 3 385.311 2.893 20 5 GFBDHM COC(=O)C=Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000821657628 607128213 /nfs/dbraw/zinc/12/82/13/607128213.db2.gz RRXDIRMPYILHIL-CLTKARDFSA-N -1 3 385.311 2.893 20 5 GFBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822974416 607240819 /nfs/dbraw/zinc/24/08/19/607240819.db2.gz LNFWRFANEVBIFE-UHFFFAOYSA-N -1 3 388.771 2.836 20 5 GFBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822974416 607240820 /nfs/dbraw/zinc/24/08/20/607240820.db2.gz LNFWRFANEVBIFE-UHFFFAOYSA-N -1 3 388.771 2.836 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000799793079 607866608 /nfs/dbraw/zinc/86/66/08/607866608.db2.gz PQGYIKUTKHUWOT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000799793079 607866609 /nfs/dbraw/zinc/86/66/09/607866609.db2.gz PQGYIKUTKHUWOT-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824491356 607939565 /nfs/dbraw/zinc/93/95/65/607939565.db2.gz UAEJCDFZRFMRBQ-GFCCVEGCSA-N -1 3 393.407 2.604 20 5 GFBDHM C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824491356 607939566 /nfs/dbraw/zinc/93/95/66/607939566.db2.gz UAEJCDFZRFMRBQ-GFCCVEGCSA-N -1 3 393.407 2.604 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406244 607947226 /nfs/dbraw/zinc/94/72/26/607947226.db2.gz NYVJWJBHUOJFSM-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406244 607947227 /nfs/dbraw/zinc/94/72/27/607947227.db2.gz NYVJWJBHUOJFSM-UHFFFAOYSA-N -1 3 393.407 2.556 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826498832 608226980 /nfs/dbraw/zinc/22/69/80/608226980.db2.gz LLPXWCHNOFWAMS-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826498832 608226982 /nfs/dbraw/zinc/22/69/82/608226982.db2.gz LLPXWCHNOFWAMS-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824522384 608228228 /nfs/dbraw/zinc/22/82/28/608228228.db2.gz RPIRWIOHXDDWLO-NSHDSACASA-N -1 3 389.375 2.814 20 5 GFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000824522384 608228230 /nfs/dbraw/zinc/22/82/30/608228230.db2.gz RPIRWIOHXDDWLO-NSHDSACASA-N -1 3 389.375 2.814 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826172148 608345316 /nfs/dbraw/zinc/34/53/16/608345316.db2.gz PFSQDCBEKVYSNU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826172148 608345318 /nfs/dbraw/zinc/34/53/18/608345318.db2.gz PFSQDCBEKVYSNU-UHFFFAOYSA-N -1 3 389.755 2.794 20 5 GFBDHM C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627074 608488755 /nfs/dbraw/zinc/48/87/55/608488755.db2.gz TXZCQEZWKZLZKB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824627074 608488758 /nfs/dbraw/zinc/48/87/58/608488758.db2.gz TXZCQEZWKZLZKB-NSHDSACASA-N -1 3 392.379 2.676 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000826212336 609165904 /nfs/dbraw/zinc/16/59/04/609165904.db2.gz NLSSQEYIYMOCOB-UHFFFAOYSA-N -1 3 392.379 2.786 20 5 GFBDHM COc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000826212336 609165905 /nfs/dbraw/zinc/16/59/05/609165905.db2.gz NLSSQEYIYMOCOB-UHFFFAOYSA-N -1 3 392.379 2.786 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826420995 609501225 /nfs/dbraw/zinc/50/12/25/609501225.db2.gz MPIPDTJKCKZHQN-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826420995 609501228 /nfs/dbraw/zinc/50/12/28/609501228.db2.gz MPIPDTJKCKZHQN-UHFFFAOYSA-N -1 3 391.800 2.554 20 5 GFBDHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000121900997 654725075 /nfs/dbraw/zinc/72/50/75/654725075.db2.gz PMBKYJPZFGALIR-HNNXBMFYSA-N -1 3 388.829 2.644 20 5 GFBDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000063518309 654853792 /nfs/dbraw/zinc/85/37/92/654853792.db2.gz DYYCEZBUCZVMLH-UHFFFAOYSA-N -1 3 388.833 2.666 20 5 GFBDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271313788 655075722 /nfs/dbraw/zinc/07/57/22/655075722.db2.gz ZUQSRMGXGDTTBZ-VHSXEESVSA-N -1 3 382.360 2.707 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1 ZINC000159317376 655113067 /nfs/dbraw/zinc/11/30/67/655113067.db2.gz DRSKLQBWIOFBEK-ZDUSSCGKSA-N -1 3 391.232 2.914 20 5 GFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173071117 655162434 /nfs/dbraw/zinc/16/24/34/655162434.db2.gz AYURLHRVXALIHM-UHFFFAOYSA-N -1 3 395.275 2.698 20 5 GFBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000274246408 655181677 /nfs/dbraw/zinc/18/16/77/655181677.db2.gz XRJFZNSVXQOLAT-UHFFFAOYSA-N -1 3 382.423 2.662 20 5 GFBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cnn1C ZINC000281135939 655332716 /nfs/dbraw/zinc/33/27/16/655332716.db2.gz JEIQFEAVDIHSLP-ZETCQYMHSA-N -1 3 393.252 2.983 20 5 GFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000181613928 655339222 /nfs/dbraw/zinc/33/92/22/655339222.db2.gz WKKLKOAGKLGAFQ-MRVPVSSYSA-N -1 3 383.289 2.777 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(Cl)c1 ZINC000762519795 656045497 /nfs/dbraw/zinc/04/54/97/656045497.db2.gz CXKPBDLMGOLTFK-MDZLAQPJSA-N -1 3 394.927 2.906 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000798226331 659085216 /nfs/dbraw/zinc/08/52/16/659085216.db2.gz HYPAIGRLCKUTBI-LLVKDONJSA-N -1 3 393.868 2.786 20 5 GFBDHM C[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227609 659086863 /nfs/dbraw/zinc/08/68/63/659086863.db2.gz VRRBIGPAPUHILJ-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825602 659944304 /nfs/dbraw/zinc/94/43/04/659944304.db2.gz JNRBSPGZICIXQJ-UFBFGSQYSA-N -1 3 394.280 2.663 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000814996336 660100557 /nfs/dbraw/zinc/10/05/57/660100557.db2.gz XCXFNXIAWDCDKH-JTQLQIEISA-N -1 3 379.841 2.540 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cc1Br ZINC000841562968 661302505 /nfs/dbraw/zinc/30/25/05/661302505.db2.gz FZPHKVYYHYCMGG-GHMZBOCLSA-N -1 3 381.223 2.916 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1SCCS1 ZINC000851835204 661837051 /nfs/dbraw/zinc/83/70/51/661837051.db2.gz KALJUESRCACERO-UHFFFAOYSA-N -1 3 388.414 2.698 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000856747591 662040912 /nfs/dbraw/zinc/04/09/12/662040912.db2.gz UAFYOSZHRFATGN-ZETCQYMHSA-N -1 3 385.186 2.681 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000921711757 664563107 /nfs/dbraw/zinc/56/31/07/664563107.db2.gz JLRWQXYLACEAMH-BDAKNGLRSA-N -1 3 395.300 2.920 20 5 GFBDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162727828 551611948 /nfs/dbraw/zinc/61/19/48/551611948.db2.gz PFQJTDDBWXIGRG-UHFFFAOYSA-N -1 3 384.376 2.955 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cscn2)c(C(F)(F)F)c1 ZINC000163384005 551619396 /nfs/dbraw/zinc/61/93/96/551619396.db2.gz VTLYASLVXPKPGL-UHFFFAOYSA-N -1 3 381.357 2.591 20 5 GFBDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000249068163 553138575 /nfs/dbraw/zinc/13/85/75/553138575.db2.gz KKSFGEOQTCXNEJ-RYUDHWBXSA-N -1 3 375.878 2.647 20 5 GFBDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000420738007 563280907 /nfs/dbraw/zinc/28/09/07/563280907.db2.gz ZTTDVVKNRLTHQY-KOLCDFICSA-N -1 3 382.360 2.850 20 5 GFBDHM O=C([N-]c1ncn(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000378451223 563507347 /nfs/dbraw/zinc/50/73/47/563507347.db2.gz DMIDCQXYHACEOX-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM Cc1c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cccc1[N+](=O)[O-] ZINC000430164105 563537224 /nfs/dbraw/zinc/53/72/24/563537224.db2.gz LZIRPRMTQHGTJS-UHFFFAOYSA-N -1 3 375.182 2.988 20 5 GFBDHM COc1ncnc(OC)c1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000431176467 563555734 /nfs/dbraw/zinc/55/57/34/563555734.db2.gz UDHFDGVDFCJSBG-UHFFFAOYSA-N -1 3 397.185 2.725 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000431926310 563571501 /nfs/dbraw/zinc/57/15/01/563571501.db2.gz OOQAQJXLVNFBPV-UHFFFAOYSA-N -1 3 384.435 2.657 20 5 GFBDHM O=C([N-]c1ncn(-c2cccnc2)n1)c1cc([N+](=O)[O-])ccc1Br ZINC000363793077 563733086 /nfs/dbraw/zinc/73/30/86/563733086.db2.gz HADKNZJEABFJMH-UHFFFAOYSA-N -1 3 389.169 2.585 20 5 GFBDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443993687 563817540 /nfs/dbraw/zinc/81/75/40/563817540.db2.gz QEVRFLQGECMHEV-UHFFFAOYSA-N -1 3 375.878 2.649 20 5 GFBDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416597929 563851802 /nfs/dbraw/zinc/85/18/02/563851802.db2.gz GLMQXWVTPMNNMI-UTLUCORTSA-N -1 3 382.360 2.705 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416634270 563856190 /nfs/dbraw/zinc/85/61/90/563856190.db2.gz YSLPRJLJTZUKJC-MFKMUULPSA-N -1 3 384.376 2.687 20 5 GFBDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434311 564332770 /nfs/dbraw/zinc/33/27/70/564332770.db2.gz CWKHBYAQMMXQPB-CMPLNLGQSA-N -1 3 387.483 2.965 20 5 GFBDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434316 564333036 /nfs/dbraw/zinc/33/30/36/564333036.db2.gz CWKHBYAQMMXQPB-PWSUYJOCSA-N -1 3 387.483 2.965 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000520134190 564598093 /nfs/dbraw/zinc/59/80/93/564598093.db2.gz JXIDMODHGLSXMG-LBPRGKRZSA-N -1 3 375.878 2.647 20 5 GFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490087071 564762982 /nfs/dbraw/zinc/76/29/82/564762982.db2.gz DNEAPYBQWZTWQG-AWEZNQCLSA-N -1 3 376.862 2.714 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000462523662 564845266 /nfs/dbraw/zinc/84/52/66/564845266.db2.gz FJVPYWAXWPEOKC-NWDGAFQWSA-N -1 3 394.280 2.807 20 5 GFBDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC ZINC000462568327 564848443 /nfs/dbraw/zinc/84/84/43/564848443.db2.gz XXMBDGDEITWKML-NOZJJQNGSA-N -1 3 378.834 2.504 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)cc1C ZINC000497783230 564876481 /nfs/dbraw/zinc/87/64/81/564876481.db2.gz WPNWSABLQICSJE-HNNXBMFYSA-N -1 3 383.495 2.854 20 5 GFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc2c1 ZINC000466904999 564950291 /nfs/dbraw/zinc/95/02/91/564950291.db2.gz BOIQUYPIZHLUHJ-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000466904999 564950293 /nfs/dbraw/zinc/95/02/93/564950293.db2.gz BOIQUYPIZHLUHJ-UHFFFAOYSA-N -1 3 380.813 2.911 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@](C)=O)cc1 ZINC000533701939 564971072 /nfs/dbraw/zinc/97/10/72/564971072.db2.gz PLIFOUAHFMMTRV-ZZDSUILFSA-N -1 3 386.426 2.511 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)cn1 ZINC000535785753 565021481 /nfs/dbraw/zinc/02/14/81/565021481.db2.gz RZGRINYHUSRJTP-UHFFFAOYSA-N -1 3 393.241 2.780 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503766543 565027999 /nfs/dbraw/zinc/02/79/99/565027999.db2.gz SZCJKGORNRISMC-VHSXEESVSA-N -1 3 382.360 2.707 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)[n-]1 ZINC000619448633 565340923 /nfs/dbraw/zinc/34/09/23/565340923.db2.gz YZUKWVAUNJUWKH-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c[n-]1 ZINC000619448633 565340927 /nfs/dbraw/zinc/34/09/27/565340927.db2.gz YZUKWVAUNJUWKH-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(C2CCCCC2)C1 ZINC000594854430 565430569 /nfs/dbraw/zinc/43/05/69/565430569.db2.gz KJQISJGBJKOAGW-GFCCVEGCSA-N -1 3 387.889 2.934 20 5 GFBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000596210160 565515621 /nfs/dbraw/zinc/51/56/21/565515621.db2.gz KSVFNVVFBBFLBC-LLVKDONJSA-N -1 3 382.214 2.721 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(Br)c1 ZINC000598622565 565630463 /nfs/dbraw/zinc/63/04/63/565630463.db2.gz PPXVLPJPQQDUAE-ZETCQYMHSA-N -1 3 385.186 2.681 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])s1 ZINC000601374542 565778728 /nfs/dbraw/zinc/77/87/28/565778728.db2.gz VITZBPKZZOSPLW-NSHDSACASA-N -1 3 392.524 2.688 20 5 GFBDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611021765 566111247 /nfs/dbraw/zinc/11/12/47/566111247.db2.gz FOSSASWEWFMHSW-BXUZGUMPSA-N -1 3 384.841 2.691 20 5 GFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736139707 598855464 /nfs/dbraw/zinc/85/54/64/598855464.db2.gz XHBHUPAMKMDFHD-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736139707 598855465 /nfs/dbraw/zinc/85/54/65/598855465.db2.gz XHBHUPAMKMDFHD-SNVBAGLBSA-N -1 3 378.352 2.998 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCOc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000738359790 598862170 /nfs/dbraw/zinc/86/21/70/598862170.db2.gz NRNKBGWFXINPOX-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCOc3ccccc3-c3nn[n-]n3)c2)cc1 ZINC000738359790 598862171 /nfs/dbraw/zinc/86/21/71/598862171.db2.gz NRNKBGWFXINPOX-UHFFFAOYSA-N -1 3 377.364 2.717 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000737282213 598886934 /nfs/dbraw/zinc/88/69/34/598886934.db2.gz CBJLWDHITCGFJV-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000737282213 598886936 /nfs/dbraw/zinc/88/69/36/598886936.db2.gz CBJLWDHITCGFJV-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369825 598972433 /nfs/dbraw/zinc/97/24/33/598972433.db2.gz PMLBGLMWVKZESS-QPUJVOFHSA-N -1 3 375.751 2.930 20 5 GFBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738369825 598972435 /nfs/dbraw/zinc/97/24/35/598972435.db2.gz PMLBGLMWVKZESS-QPUJVOFHSA-N -1 3 375.751 2.930 20 5 GFBDHM Cc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cccc1-c1nnn[n-]1 ZINC000822123405 607257094 /nfs/dbraw/zinc/25/70/94/607257094.db2.gz ZOQSQTANLNCWMK-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1c(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cccc1-c1nn[n-]n1 ZINC000822123405 607257095 /nfs/dbraw/zinc/25/70/95/607257095.db2.gz ZOQSQTANLNCWMK-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000820769493 599038391 /nfs/dbraw/zinc/03/83/91/599038391.db2.gz UNQIIBKBIKIEAN-GTNSWQLSSA-N -1 3 384.371 2.880 20 5 GFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000820769493 599038394 /nfs/dbraw/zinc/03/83/94/599038394.db2.gz UNQIIBKBIKIEAN-GTNSWQLSSA-N -1 3 384.371 2.880 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NCCOc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000823645205 599048938 /nfs/dbraw/zinc/04/89/38/599048938.db2.gz PMPMZZCRFDRQPP-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM CCOC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821319865 599050340 /nfs/dbraw/zinc/05/03/40/599050340.db2.gz IMHIPAYMGMHORE-CQSZACIVSA-N -1 3 382.380 2.534 20 5 GFBDHM CCOC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000821319865 599050343 /nfs/dbraw/zinc/05/03/43/599050343.db2.gz IMHIPAYMGMHORE-CQSZACIVSA-N -1 3 382.380 2.534 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822242204 599061136 /nfs/dbraw/zinc/06/11/36/599061136.db2.gz DQQJZCCNCXZGLP-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2=O)cc1 ZINC000822242204 599061139 /nfs/dbraw/zinc/06/11/39/599061139.db2.gz DQQJZCCNCXZGLP-MRXNPFEDSA-N -1 3 393.407 2.691 20 5 GFBDHM CC(C)[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820045536 599097086 /nfs/dbraw/zinc/09/70/86/599097086.db2.gz NBTWVWRAVURBHC-HNNXBMFYSA-N -1 3 385.453 2.901 20 5 GFBDHM CC(C)[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820045536 599097089 /nfs/dbraw/zinc/09/70/89/599097089.db2.gz NBTWVWRAVURBHC-HNNXBMFYSA-N -1 3 385.453 2.901 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)cc1 ZINC000823634935 599126783 /nfs/dbraw/zinc/12/67/83/599126783.db2.gz OQFVSMRCRCTQLU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)cc1 ZINC000823634935 599126784 /nfs/dbraw/zinc/12/67/84/599126784.db2.gz OQFVSMRCRCTQLU-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM Cc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822108344 607320998 /nfs/dbraw/zinc/32/09/98/607320998.db2.gz HXQNINMTBMDQLP-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822108344 607320999 /nfs/dbraw/zinc/32/09/99/607320999.db2.gz HXQNINMTBMDQLP-UHFFFAOYSA-N -1 3 390.363 2.521 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cccc1-c1nnn[n-]1 ZINC000822109028 607321133 /nfs/dbraw/zinc/32/11/33/607321133.db2.gz OWZAJARYIQBGRD-UHFFFAOYSA-N -1 3 383.324 2.552 20 5 GFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cccc1-c1nn[n-]n1 ZINC000822109028 607321134 /nfs/dbraw/zinc/32/11/34/607321134.db2.gz OWZAJARYIQBGRD-UHFFFAOYSA-N -1 3 383.324 2.552 20 5 GFBDHM O=[N+]([O-])c1cc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000738361049 598249554 /nfs/dbraw/zinc/24/95/54/598249554.db2.gz TXOFYEPOLSTFLI-UHFFFAOYSA-N -1 3 386.437 2.880 20 5 GFBDHM O=[N+]([O-])c1cc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000738361049 598249556 /nfs/dbraw/zinc/24/95/56/598249556.db2.gz TXOFYEPOLSTFLI-UHFFFAOYSA-N -1 3 386.437 2.880 20 5 GFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736201880 598252551 /nfs/dbraw/zinc/25/25/51/598252551.db2.gz ISMVZBLIMDKCIG-AWEZNQCLSA-N -1 3 379.424 2.658 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737284023 598289906 /nfs/dbraw/zinc/28/99/06/598289906.db2.gz XGZGKOJXJBMYMD-UHFFFAOYSA-N -1 3 383.364 2.709 20 5 GFBDHM COc1ccc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737086904 598387914 /nfs/dbraw/zinc/38/79/14/598387914.db2.gz KBVQIHZPWJIJAU-NSHDSACASA-N -1 3 384.396 2.835 20 5 GFBDHM COc1ccc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737086904 598387916 /nfs/dbraw/zinc/38/79/16/598387916.db2.gz KBVQIHZPWJIJAU-NSHDSACASA-N -1 3 384.396 2.835 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1-c1nnn[n-]1 ZINC000736675198 598517779 /nfs/dbraw/zinc/51/77/79/598517779.db2.gz GGQDPHHEEOOHMK-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1-c1nn[n-]n1 ZINC000736675198 598517780 /nfs/dbraw/zinc/51/77/80/598517780.db2.gz GGQDPHHEEOOHMK-UHFFFAOYSA-N -1 3 388.409 2.968 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737986405 598583812 /nfs/dbraw/zinc/58/38/12/598583812.db2.gz IOTCATRFSRCNES-UHFFFAOYSA-N -1 3 381.327 2.507 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737986405 598583813 /nfs/dbraw/zinc/58/38/13/598583813.db2.gz IOTCATRFSRCNES-UHFFFAOYSA-N -1 3 381.327 2.507 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000823651206 599328210 /nfs/dbraw/zinc/32/82/10/599328210.db2.gz IKYBOBXPGAVHOL-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM O=[N+]([O-])c1cnc(NCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000823651206 599328211 /nfs/dbraw/zinc/32/82/11/599328211.db2.gz IKYBOBXPGAVHOL-UHFFFAOYSA-N -1 3 377.364 2.814 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000821343187 599351936 /nfs/dbraw/zinc/35/19/36/599351936.db2.gz LLRUZLNGOJLDOJ-JTQLQIEISA-N -1 3 383.368 2.520 20 5 GFBDHM CCOC(=O)c1ccnc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000821343187 599351937 /nfs/dbraw/zinc/35/19/37/599351937.db2.gz LLRUZLNGOJLDOJ-JTQLQIEISA-N -1 3 383.368 2.520 20 5 GFBDHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737925326 599360069 /nfs/dbraw/zinc/36/00/69/599360069.db2.gz PQLFPSUFIHRVHI-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737925326 599360072 /nfs/dbraw/zinc/36/00/72/599360072.db2.gz PQLFPSUFIHRVHI-UHFFFAOYSA-N -1 3 389.755 2.551 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000821752202 607379342 /nfs/dbraw/zinc/37/93/42/607379342.db2.gz JCUQIAKTDBSBMH-UHFFFAOYSA-N -1 3 377.364 2.695 20 5 GFBDHM Cc1ccccc1[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822351047 599552878 /nfs/dbraw/zinc/55/28/78/599552878.db2.gz KGAOAMVYBYZOEH-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1ccccc1[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822351047 599552881 /nfs/dbraw/zinc/55/28/81/599552881.db2.gz KGAOAMVYBYZOEH-KRWDZBQOSA-N -1 3 391.391 2.777 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000826253778 607445175 /nfs/dbraw/zinc/44/51/75/607445175.db2.gz DDTAPMVAFPRNIH-UHFFFAOYSA-N -1 3 398.335 2.657 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000826253778 607445176 /nfs/dbraw/zinc/44/51/76/607445176.db2.gz DDTAPMVAFPRNIH-UHFFFAOYSA-N -1 3 398.335 2.657 20 5 GFBDHM O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826428190 607447395 /nfs/dbraw/zinc/44/73/95/607447395.db2.gz RXUQBDPQPDHQLV-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826428190 607447396 /nfs/dbraw/zinc/44/73/96/607447396.db2.gz RXUQBDPQPDHQLV-UHFFFAOYSA-N -1 3 384.783 2.847 20 5 GFBDHM O=C(COc1ccccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826419030 607525105 /nfs/dbraw/zinc/52/51/05/607525105.db2.gz GUKORTQFXSBXAU-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826419030 607525106 /nfs/dbraw/zinc/52/51/06/607525106.db2.gz GUKORTQFXSBXAU-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccnc(Cl)c1 ZINC000826450922 607525363 /nfs/dbraw/zinc/52/53/63/607525363.db2.gz IVGFFWVWQALONP-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccnc(Cl)c1 ZINC000826450922 607525365 /nfs/dbraw/zinc/52/53/65/607525365.db2.gz IVGFFWVWQALONP-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cc(Cl)ccn1 ZINC000826450861 607525552 /nfs/dbraw/zinc/52/55/52/607525552.db2.gz GZGQQNWBMPPQFX-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cc(Cl)ccn1 ZINC000826450861 607525553 /nfs/dbraw/zinc/52/55/53/607525553.db2.gz GZGQQNWBMPPQFX-UHFFFAOYSA-N -1 3 380.151 2.729 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1-c1nnn[n-]1 ZINC000826203890 607560260 /nfs/dbraw/zinc/56/02/60/607560260.db2.gz KUOXGYBWYPKQTM-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc1-c1nn[n-]n1 ZINC000826203890 607560261 /nfs/dbraw/zinc/56/02/61/607560261.db2.gz KUOXGYBWYPKQTM-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000833506185 604769624 /nfs/dbraw/zinc/76/96/24/604769624.db2.gz UUMGPUFBBZQQEN-ZDUSSCGKSA-N -1 3 375.219 2.667 20 5 GFBDHM CCc1cc(N2CCN(CCC(=O)[O-])C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833671873 605050190 /nfs/dbraw/zinc/05/01/90/605050190.db2.gz SPDWWTBPRMMGCN-AWEZNQCLSA-N -1 3 399.451 2.599 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820178396 606147788 /nfs/dbraw/zinc/14/77/88/606147788.db2.gz OFIRUVBCETYBQC-UHFFFAOYSA-N -1 3 397.391 2.848 20 5 GFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820178396 606147789 /nfs/dbraw/zinc/14/77/89/606147789.db2.gz OFIRUVBCETYBQC-UHFFFAOYSA-N -1 3 397.391 2.848 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000821122931 606192302 /nfs/dbraw/zinc/19/23/02/606192302.db2.gz CKAHXZYDNJQAGH-UHFFFAOYSA-N -1 3 385.359 2.988 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508468 606346513 /nfs/dbraw/zinc/34/65/13/606346513.db2.gz PGZDZQQWEUCXBA-SECBINFHSA-N -1 3 384.308 2.601 20 5 GFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508468 606346515 /nfs/dbraw/zinc/34/65/15/606346515.db2.gz PGZDZQQWEUCXBA-SECBINFHSA-N -1 3 384.308 2.601 20 5 GFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000820926121 606418948 /nfs/dbraw/zinc/41/89/48/606418948.db2.gz OZEKBAZMSNGNSE-BLLLJJGKSA-N -1 3 390.350 2.977 20 5 GFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000820926121 606418950 /nfs/dbraw/zinc/41/89/50/606418950.db2.gz OZEKBAZMSNGNSE-BLLLJJGKSA-N -1 3 390.350 2.977 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823629642 606876606 /nfs/dbraw/zinc/87/66/06/606876606.db2.gz CWEFGWGMIPGJFG-NSHDSACASA-N -1 3 386.803 2.514 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000823629642 606876607 /nfs/dbraw/zinc/87/66/07/606876607.db2.gz CWEFGWGMIPGJFG-NSHDSACASA-N -1 3 386.803 2.514 20 5 GFBDHM O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823401324 606901837 /nfs/dbraw/zinc/90/18/37/606901837.db2.gz SMAZVNJUHMOFRL-UHFFFAOYSA-N -1 3 387.327 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1ccc2c(c1)OCCO2 ZINC000823629720 606947777 /nfs/dbraw/zinc/94/77/77/606947777.db2.gz FUOKPUHGOICEGD-UHFFFAOYSA-N -1 3 382.380 2.591 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1ccc2c(c1)OCCO2 ZINC000823629720 606947778 /nfs/dbraw/zinc/94/77/78/606947778.db2.gz FUOKPUHGOICEGD-UHFFFAOYSA-N -1 3 382.380 2.591 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823421549 606998999 /nfs/dbraw/zinc/99/89/99/606998999.db2.gz CAIFKCBPAFFVJV-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823421549 606999000 /nfs/dbraw/zinc/99/90/00/606999000.db2.gz CAIFKCBPAFFVJV-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000823639762 607039078 /nfs/dbraw/zinc/03/90/78/607039078.db2.gz HFLNRWXJQYZLPL-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(-c2nn[n-]n2)c1 ZINC000823639762 607039080 /nfs/dbraw/zinc/03/90/80/607039080.db2.gz HFLNRWXJQYZLPL-UHFFFAOYSA-N -1 3 399.842 2.751 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000821123743 607041066 /nfs/dbraw/zinc/04/10/66/607041066.db2.gz XCEXLHRCKPHLMG-UHFFFAOYSA-N -1 3 396.411 2.647 20 5 GFBDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000822222422 607049400 /nfs/dbraw/zinc/04/94/00/607049400.db2.gz GHWIJMMERRXBBP-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000822222422 607049402 /nfs/dbraw/zinc/04/94/02/607049402.db2.gz GHWIJMMERRXBBP-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1c(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cccc1[N+](=O)[O-] ZINC000822121329 607166257 /nfs/dbraw/zinc/16/62/57/607166257.db2.gz DTRZFZANLUGTSI-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM Cc1c(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cccc1[N+](=O)[O-] ZINC000822121329 607166260 /nfs/dbraw/zinc/16/62/60/607166260.db2.gz DTRZFZANLUGTSI-UHFFFAOYSA-N -1 3 378.352 2.745 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000823643796 607171171 /nfs/dbraw/zinc/17/11/71/607171171.db2.gz BCEWQPZWTPYEID-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cccc(-c2noc(COc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000823643796 607171172 /nfs/dbraw/zinc/17/11/72/607171172.db2.gz BCEWQPZWTPYEID-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823040536 607241904 /nfs/dbraw/zinc/24/19/04/607241904.db2.gz MUIQEBNNSWLVEJ-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823040536 607241905 /nfs/dbraw/zinc/24/19/05/607241905.db2.gz MUIQEBNNSWLVEJ-UHFFFAOYSA-N -1 3 392.734 2.585 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824730930 607833997 /nfs/dbraw/zinc/83/39/97/607833997.db2.gz RGBVDYXHTQXIRJ-GFCCVEGCSA-N -1 3 394.391 2.522 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826401980 607834294 /nfs/dbraw/zinc/83/42/94/607834294.db2.gz KKOKPKLMXRWDIX-KHPPLWFESA-N -1 3 376.376 2.768 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826401980 607834295 /nfs/dbraw/zinc/83/42/95/607834295.db2.gz KKOKPKLMXRWDIX-KHPPLWFESA-N -1 3 376.376 2.768 20 5 GFBDHM Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291972 607866909 /nfs/dbraw/zinc/86/69/09/607866909.db2.gz CRFJUCGQNXATED-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1-c1nnn[n-]1 ZINC000826205595 608104730 /nfs/dbraw/zinc/10/47/30/608104730.db2.gz BWXHRTWMIDTFPV-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM COc1ccc(COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1-c1nn[n-]n1 ZINC000826205595 608104731 /nfs/dbraw/zinc/10/47/31/608104731.db2.gz BWXHRTWMIDTFPV-UHFFFAOYSA-N -1 3 394.347 2.622 20 5 GFBDHM O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826463923 608254680 /nfs/dbraw/zinc/25/46/80/608254680.db2.gz AATAHNKRKAMUAH-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826463923 608254682 /nfs/dbraw/zinc/25/46/82/608254682.db2.gz AATAHNKRKAMUAH-UHFFFAOYSA-N -1 3 394.322 2.819 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826341867 608564739 /nfs/dbraw/zinc/56/47/39/608564739.db2.gz RSHZMKSUHUAQLV-QWRGUYRKSA-N -1 3 399.411 2.663 20 5 GFBDHM Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826341867 608564740 /nfs/dbraw/zinc/56/47/40/608564740.db2.gz RSHZMKSUHUAQLV-QWRGUYRKSA-N -1 3 399.411 2.663 20 5 GFBDHM C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824770033 608864213 /nfs/dbraw/zinc/86/42/13/608864213.db2.gz CRSXADPZRUQLQY-ZDUSSCGKSA-N -1 3 397.414 2.797 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(F)c1 ZINC000826498816 608866346 /nfs/dbraw/zinc/86/63/46/608866346.db2.gz KUEQETFJOIMYST-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(F)c1 ZINC000826498816 608866347 /nfs/dbraw/zinc/86/63/47/608866347.db2.gz KUEQETFJOIMYST-UHFFFAOYSA-N -1 3 380.343 2.916 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(Cl)c1 ZINC000826501018 608866976 /nfs/dbraw/zinc/86/69/76/608866976.db2.gz WBOHWPAMIJAPDG-UHFFFAOYSA-N -1 3 397.786 2.826 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(Cl)c1 ZINC000826501018 608866977 /nfs/dbraw/zinc/86/69/77/608866977.db2.gz WBOHWPAMIJAPDG-UHFFFAOYSA-N -1 3 397.786 2.826 20 5 GFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000825480967 609178911 /nfs/dbraw/zinc/17/89/11/609178911.db2.gz OXWZPEUJPJDPFE-UHFFFAOYSA-N -1 3 396.411 2.566 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000826455538 609239181 /nfs/dbraw/zinc/23/91/81/609239181.db2.gz SONDVMPHZFBJOA-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000826455538 609239182 /nfs/dbraw/zinc/23/91/82/609239182.db2.gz SONDVMPHZFBJOA-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM Cc1cc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826266819 609284378 /nfs/dbraw/zinc/28/43/78/609284378.db2.gz CTXQYVGYIFMIEL-UHFFFAOYSA-N -1 3 397.391 2.984 20 5 GFBDHM Cc1cc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826266819 609284379 /nfs/dbraw/zinc/28/43/79/609284379.db2.gz CTXQYVGYIFMIEL-UHFFFAOYSA-N -1 3 397.391 2.984 20 5 GFBDHM Cc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)c(-c2nnn[n-]2)c1C ZINC000826337219 609307399 /nfs/dbraw/zinc/30/73/99/609307399.db2.gz HDJSMOAXQKQLGE-UHFFFAOYSA-N -1 3 384.381 2.615 20 5 GFBDHM Cc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3o2)c(-c2nn[n-]n2)c1C ZINC000826337219 609307401 /nfs/dbraw/zinc/30/74/01/609307401.db2.gz HDJSMOAXQKQLGE-UHFFFAOYSA-N -1 3 384.381 2.615 20 5 GFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826293339 609460930 /nfs/dbraw/zinc/46/09/30/609460930.db2.gz LOTORESYSFTKHY-GFCCVEGCSA-N -1 3 383.364 2.767 20 5 GFBDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000826161954 609483751 /nfs/dbraw/zinc/48/37/51/609483751.db2.gz HACXHTOVBUWUQK-UHFFFAOYSA-N -1 3 388.359 2.551 20 5 GFBDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000826161954 609483754 /nfs/dbraw/zinc/48/37/54/609483754.db2.gz HACXHTOVBUWUQK-UHFFFAOYSA-N -1 3 388.359 2.551 20 5 GFBDHM CO[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000826166411 609598143 /nfs/dbraw/zinc/59/81/43/609598143.db2.gz JLIBPWWRORWLCZ-CQSZACIVSA-N -1 3 388.771 2.755 20 5 GFBDHM CO[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000826166411 609598144 /nfs/dbraw/zinc/59/81/44/609598144.db2.gz JLIBPWWRORWLCZ-CQSZACIVSA-N -1 3 388.771 2.755 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(F)F ZINC000827881067 660521106 /nfs/dbraw/zinc/52/11/06/660521106.db2.gz AAWPETHUUQPDTE-SSDOTTSWSA-N -1 3 387.202 2.927 20 5 GFBDHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN3CCCC[C@@H]23)c1Cl ZINC000830002434 660629276 /nfs/dbraw/zinc/62/92/76/660629276.db2.gz KDUPTIGFECWDMO-QWRGUYRKSA-N -1 3 394.280 2.807 20 5 GFBDHM CC1(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)CC2)CC1 ZINC000832555589 660785977 /nfs/dbraw/zinc/78/59/77/660785977.db2.gz XLBKJKLNVGFVFC-UHFFFAOYSA-N -1 3 375.244 2.968 20 5 GFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000268821837 654988139 /nfs/dbraw/zinc/98/81/39/654988139.db2.gz XQPZQEULBOYUNA-LLVKDONJSA-N -1 3 385.467 2.854 20 5 GFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000173831667 655182239 /nfs/dbraw/zinc/18/22/39/655182239.db2.gz AOMGRLIHYBKZDL-GFCCVEGCSA-N -1 3 395.275 2.697 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000119321560 655298599 /nfs/dbraw/zinc/29/85/99/655298599.db2.gz BERUXCIJGZCYDU-RFAUZJTJSA-N -1 3 388.804 2.788 20 5 GFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000473847436 655414962 /nfs/dbraw/zinc/41/49/62/655414962.db2.gz CJFDTDMEZOGYBF-GFCCVEGCSA-N -1 3 381.186 2.606 20 5 GFBDHM Cc1occc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742282438 655713775 /nfs/dbraw/zinc/71/37/75/655713775.db2.gz HWHHUTQNWYZPBV-UHFFFAOYSA-N -1 3 375.200 2.737 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1Br ZINC000743343619 655728060 /nfs/dbraw/zinc/72/80/60/655728060.db2.gz JVEGRIHYVKMWTA-UHFFFAOYSA-N -1 3 391.165 2.978 20 5 GFBDHM CSC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746671936 655766311 /nfs/dbraw/zinc/76/63/11/655766311.db2.gz NHNXGQMFUNKSNB-UHFFFAOYSA-N -1 3 383.289 2.777 20 5 GFBDHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OCC ZINC000784708039 657323020 /nfs/dbraw/zinc/32/30/20/657323020.db2.gz XWHRCIZQAWUNOE-QZPNVGJNSA-N -1 3 390.845 2.733 20 5 GFBDHM COc1cncc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)c1 ZINC000799184864 659171992 /nfs/dbraw/zinc/17/19/92/659171992.db2.gz LUBYKUBBUFDCOF-UHFFFAOYSA-N -1 3 388.199 2.562 20 5 GFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000841536594 661293472 /nfs/dbraw/zinc/29/34/72/661293472.db2.gz GXWOEZSNOJPKNI-JGZJWPJOSA-N -1 3 393.259 2.592 20 5 GFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CS1 ZINC000841558129 661300115 /nfs/dbraw/zinc/30/01/15/661300115.db2.gz HCOSKLDOWXZRMI-YUMQZZPRSA-N -1 3 381.273 2.530 20 5 GFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845975851 661515068 /nfs/dbraw/zinc/51/50/68/661515068.db2.gz CEKYVVQIJYAIOG-BZNIZROVSA-N -1 3 384.841 2.823 20 5 GFBDHM CCSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000851819792 661834596 /nfs/dbraw/zinc/83/45/96/661834596.db2.gz ITVVVEUBOVSYTO-UHFFFAOYSA-N -1 3 395.300 2.921 20 5 GFBDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055620425 551173171 /nfs/dbraw/zinc/17/31/71/551173171.db2.gz NGNGJKJIROVBIZ-UHFFFAOYSA-N -1 3 383.813 2.717 20 5 GFBDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064958147 551185465 /nfs/dbraw/zinc/18/54/65/551185465.db2.gz QQFYUDXCUDXDMG-UHFFFAOYSA-N -1 3 383.857 2.659 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2nc(C3CC3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000123605005 551307362 /nfs/dbraw/zinc/30/73/62/551307362.db2.gz MNDDVXSIHRZUNT-GFCCVEGCSA-N -1 3 386.455 2.901 20 5 GFBDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123831980 551308886 /nfs/dbraw/zinc/30/88/86/551308886.db2.gz ILXFHVWAMDMDSG-SNVBAGLBSA-N -1 3 384.376 2.691 20 5 GFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)cc1 ZINC000130750202 551368611 /nfs/dbraw/zinc/36/86/11/551368611.db2.gz MDGIOAUXCDACHP-UHFFFAOYSA-N -1 3 379.419 2.931 20 5 GFBDHM COc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000185621950 552367732 /nfs/dbraw/zinc/36/77/32/552367732.db2.gz QXWKEEWUBDBBIO-UHFFFAOYSA-N -1 3 391.858 2.709 20 5 GFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000187758230 552423904 /nfs/dbraw/zinc/42/39/04/552423904.db2.gz TZOHXHFCBYYYAD-QMMMGPOBSA-N -1 3 389.430 2.589 20 5 GFBDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539349 563216251 /nfs/dbraw/zinc/21/62/51/563216251.db2.gz IAPKAXXKRVGUHP-BLLLJJGKSA-N -1 3 381.479 2.628 20 5 GFBDHM O=C([N-]c1ccc2c(c1)C(=O)NC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000426874054 563456466 /nfs/dbraw/zinc/45/64/66/563456466.db2.gz ICZBOYMAXCQROY-UHFFFAOYSA-N -1 3 382.195 2.915 20 5 GFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000328432011 563460540 /nfs/dbraw/zinc/46/05/40/563460540.db2.gz VESRCMAHYUWULN-UHFFFAOYSA-N -1 3 384.797 2.513 20 5 GFBDHM Cc1[nH]nc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)c1[N+](=O)[O-] ZINC000427670401 563471331 /nfs/dbraw/zinc/47/13/31/563471331.db2.gz DYQFJYNPQONFHY-UHFFFAOYSA-N -1 3 382.130 2.889 20 5 GFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000433465948 563614010 /nfs/dbraw/zinc/61/40/10/563614010.db2.gz JYQSZYJZQQGYEY-JTQLQIEISA-N -1 3 378.834 2.506 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000416429356 563827801 /nfs/dbraw/zinc/82/78/01/563827801.db2.gz VSWBESXFMFGLLM-VIFPVBQESA-N -1 3 382.360 2.707 20 5 GFBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000416596762 563851496 /nfs/dbraw/zinc/85/14/96/563851496.db2.gz NJFFLOZEXNLXSZ-MRVPVSSYSA-N -1 3 388.339 2.999 20 5 GFBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000416614963 563853814 /nfs/dbraw/zinc/85/38/14/563853814.db2.gz IZTJMCGSYHKMGO-SECBINFHSA-N -1 3 393.259 2.593 20 5 GFBDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000472211526 564216608 /nfs/dbraw/zinc/21/66/08/564216608.db2.gz SRULPUORTOTGTN-UHFFFAOYSA-N -1 3 395.275 2.577 20 5 GFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000509424279 564298808 /nfs/dbraw/zinc/29/88/08/564298808.db2.gz PTIKCHMDYVJASN-CYBMUJFWSA-N -1 3 395.213 2.915 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc21 ZINC000451612474 564331144 /nfs/dbraw/zinc/33/11/44/564331144.db2.gz KOHIFYKMMVRLTH-LLVKDONJSA-N -1 3 380.447 2.771 20 5 GFBDHM COc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000451791923 564352562 /nfs/dbraw/zinc/35/25/62/564352562.db2.gz RSAQBFQORGQMQT-UHFFFAOYSA-N -1 3 385.829 2.747 20 5 GFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(CSC)cc1 ZINC000511396112 564370866 /nfs/dbraw/zinc/37/08/66/564370866.db2.gz TZYXPMXBMLWYKM-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM O=c1nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)[n-]c2sc3c(c21)CCC3 ZINC000477514639 564379559 /nfs/dbraw/zinc/37/95/59/564379559.db2.gz FFDVSVGYTNGDBL-UHFFFAOYSA-N -1 3 378.797 2.657 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000546644421 564464107 /nfs/dbraw/zinc/46/41/07/564464107.db2.gz ZEEXVYQGMFPDAN-UHFFFAOYSA-N -1 3 378.435 2.695 20 5 GFBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000480738244 564485792 /nfs/dbraw/zinc/48/57/92/564485792.db2.gz KSDUWCSLQQTGAC-UHFFFAOYSA-N -1 3 386.813 2.744 20 5 GFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccncc1Br ZINC000481926793 564527679 /nfs/dbraw/zinc/52/76/79/564527679.db2.gz VKIYVGPQYUTURH-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM Cc1ccc(Sc2nsc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000483141182 564559562 /nfs/dbraw/zinc/55/95/62/564559562.db2.gz GLONYMHXQBVGBJ-UHFFFAOYSA-N -1 3 376.423 2.892 20 5 GFBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487122836 564676084 /nfs/dbraw/zinc/67/60/84/564676084.db2.gz GVOQRJAGTFSTBK-UHFFFAOYSA-N -1 3 378.834 2.648 20 5 GFBDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000487109627 564676125 /nfs/dbraw/zinc/67/61/25/564676125.db2.gz AYIDMWDPGOAWOW-JTQLQIEISA-N -1 3 384.435 2.791 20 5 GFBDHM CC(C)SCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553892263 564743522 /nfs/dbraw/zinc/74/35/22/564743522.db2.gz WPNXYMAYTPQXNB-UHFFFAOYSA-N -1 3 383.289 2.777 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1OCCc2sccc21 ZINC000490510329 564775095 /nfs/dbraw/zinc/77/50/95/564775095.db2.gz RYRKIDHRVURECV-BJOHPYRUSA-N -1 3 386.426 2.776 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000555530230 564796896 /nfs/dbraw/zinc/79/68/96/564796896.db2.gz WQDKUQPXLQFZBF-UHFFFAOYSA-N -1 3 385.829 2.594 20 5 GFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462494053 564843625 /nfs/dbraw/zinc/84/36/25/564843625.db2.gz XEBMJTSKESYLCR-PSASIEDQSA-N -1 3 382.269 2.663 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@H]12 ZINC000462523664 564845451 /nfs/dbraw/zinc/84/54/51/564845451.db2.gz FJVPYWAXWPEOKC-VXGBXAGGSA-N -1 3 394.280 2.807 20 5 GFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)cn1 ZINC000534900645 564998628 /nfs/dbraw/zinc/99/86/28/564998628.db2.gz UBTCUMDBIKHJJM-UHFFFAOYSA-N -1 3 386.227 2.592 20 5 GFBDHM COc1c(S(=O)(=O)[N-]CC[C@@H](C)F)cc(Br)c(C)c1[N+](=O)[O-] ZINC000562630820 565036689 /nfs/dbraw/zinc/03/66/89/565036689.db2.gz WHFKZTXROGBLRT-SSDOTTSWSA-N -1 3 399.238 2.701 20 5 GFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)OCCc2sccc21 ZINC000589295585 565160651 /nfs/dbraw/zinc/16/06/51/565160651.db2.gz TVSJITVZCRMOQJ-INIZCTEOSA-N -1 3 382.463 2.731 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588174 565192588 /nfs/dbraw/zinc/19/25/88/565192588.db2.gz FQVFIXYFERFYLD-CQSZACIVSA-N -1 3 387.458 2.685 20 5 GFBDHM COC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594788490 565420637 /nfs/dbraw/zinc/42/06/37/565420637.db2.gz DHPACAAXJMIPEX-UHFFFAOYSA-N -1 3 382.360 2.707 20 5 GFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(OC)c1 ZINC000594831553 565427517 /nfs/dbraw/zinc/42/75/17/565427517.db2.gz UINQHBPMBNFTAG-CYBMUJFWSA-N -1 3 386.451 2.639 20 5 GFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000594852846 565430088 /nfs/dbraw/zinc/43/00/88/565430088.db2.gz UATOBJFDIYAQDM-ONGXEEELSA-N -1 3 393.259 2.593 20 5 GFBDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853319 565430190 /nfs/dbraw/zinc/43/01/90/565430190.db2.gz XLSZDHQYMACDDG-CABZTGNLSA-N -1 3 393.259 2.593 20 5 GFBDHM O=c1[n-]ccc(N2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000599105749 565657256 /nfs/dbraw/zinc/65/72/56/565657256.db2.gz FBKYPFOSEKSHJS-JTQLQIEISA-N -1 3 381.186 2.511 20 5 GFBDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610957422 566107618 /nfs/dbraw/zinc/10/76/18/566107618.db2.gz XFOJTRGOEKURED-ZJUUUORDSA-N -1 3 382.360 2.707 20 5 GFBDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613475820 566198929 /nfs/dbraw/zinc/19/89/29/566198929.db2.gz BAYXONXRIXWSMX-LBPRGKRZSA-N -1 3 384.435 2.775 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737852515 598835174 /nfs/dbraw/zinc/83/51/74/598835174.db2.gz MSJFRLRKKXXQEQ-UHFFFAOYSA-N -1 3 394.435 2.847 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737852515 598835176 /nfs/dbraw/zinc/83/51/76/598835176.db2.gz MSJFRLRKKXXQEQ-UHFFFAOYSA-N -1 3 394.435 2.847 20 5 GFBDHM Cc1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000737383496 598885772 /nfs/dbraw/zinc/88/57/72/598885772.db2.gz ALCNLYCBMMUBEG-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1cccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000737383496 598885774 /nfs/dbraw/zinc/88/57/74/598885774.db2.gz ALCNLYCBMMUBEG-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737435791 599054975 /nfs/dbraw/zinc/05/49/75/599054975.db2.gz CREGDDUNNRIEIU-UHFFFAOYSA-N -1 3 381.396 2.526 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000737948270 599067135 /nfs/dbraw/zinc/06/71/35/599067135.db2.gz RORMXMAUQXNCLM-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000737948270 599067138 /nfs/dbraw/zinc/06/71/38/599067138.db2.gz RORMXMAUQXNCLM-UHFFFAOYSA-N -1 3 392.347 2.784 20 5 GFBDHM CN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821618108 599077550 /nfs/dbraw/zinc/07/75/50/599077550.db2.gz QLRNXTZZLGDHOF-UHFFFAOYSA-N -1 3 390.407 2.656 20 5 GFBDHM CN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821618108 599077552 /nfs/dbraw/zinc/07/75/52/599077552.db2.gz QLRNXTZZLGDHOF-UHFFFAOYSA-N -1 3 390.407 2.656 20 5 GFBDHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000735912891 599205341 /nfs/dbraw/zinc/20/53/41/599205341.db2.gz JAUDNMFVHNRPQI-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)Oc1cccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000735912891 599205343 /nfs/dbraw/zinc/20/53/43/599205343.db2.gz JAUDNMFVHNRPQI-KRWDZBQOSA-N -1 3 384.396 2.708 20 5 GFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000735660745 598489327 /nfs/dbraw/zinc/48/93/27/598489327.db2.gz OTDXRHHZDVUYCV-UHFFFAOYSA-N -1 3 399.411 2.739 20 5 GFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000735660745 598489329 /nfs/dbraw/zinc/48/93/29/598489329.db2.gz OTDXRHHZDVUYCV-UHFFFAOYSA-N -1 3 399.411 2.739 20 5 GFBDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823060476 607356621 /nfs/dbraw/zinc/35/66/21/607356621.db2.gz CZACHAHLEIXOQE-UHFFFAOYSA-N -1 3 389.368 2.753 20 5 GFBDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000823060476 607356624 /nfs/dbraw/zinc/35/66/24/607356624.db2.gz CZACHAHLEIXOQE-UHFFFAOYSA-N -1 3 389.368 2.753 20 5 GFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736166988 598498154 /nfs/dbraw/zinc/49/81/54/598498154.db2.gz BRWILNGBVZSSLI-SECBINFHSA-N -1 3 388.771 2.834 20 5 GFBDHM O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)s2)c(-c2nnn[n-]2)c1 ZINC000738373353 598503311 /nfs/dbraw/zinc/50/33/11/598503311.db2.gz AWPDQWIGQVNHFO-UHFFFAOYSA-N -1 3 384.406 2.840 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCSCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000738367518 598512252 /nfs/dbraw/zinc/51/22/52/598512252.db2.gz UGFSBNDCHNTUDY-UHFFFAOYSA-N -1 3 387.421 2.966 20 5 GFBDHM O=[N+]([O-])c1ccc(OCCSCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000738367518 598512254 /nfs/dbraw/zinc/51/22/54/598512254.db2.gz UGFSBNDCHNTUDY-UHFFFAOYSA-N -1 3 387.421 2.966 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCOc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823643767 599489147 /nfs/dbraw/zinc/48/91/47/599489147.db2.gz AODDELVYGKTNCJ-UHFFFAOYSA-N -1 3 389.375 2.722 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(N3CCOc4ccccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643767 599489150 /nfs/dbraw/zinc/48/91/50/599489150.db2.gz AODDELVYGKTNCJ-UHFFFAOYSA-N -1 3 389.375 2.722 20 5 GFBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820333426 599526237 /nfs/dbraw/zinc/52/62/37/599526237.db2.gz BJPIXHAWBWKCEX-JTQLQIEISA-N -1 3 386.799 2.848 20 5 GFBDHM C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820333426 599526240 /nfs/dbraw/zinc/52/62/40/599526240.db2.gz BJPIXHAWBWKCEX-JTQLQIEISA-N -1 3 386.799 2.848 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271110 599623828 /nfs/dbraw/zinc/62/38/28/599623828.db2.gz MVPGZFTWOAHYDT-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271110 599623829 /nfs/dbraw/zinc/62/38/29/599623829.db2.gz MVPGZFTWOAHYDT-GFCCVEGCSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1sc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000822557357 599628625 /nfs/dbraw/zinc/62/86/25/599628625.db2.gz HVYDXECCPDYFMA-UHFFFAOYSA-N -1 3 387.425 2.528 20 5 GFBDHM Cc1sc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000822557357 599628626 /nfs/dbraw/zinc/62/86/26/599628626.db2.gz HVYDXECCPDYFMA-UHFFFAOYSA-N -1 3 387.425 2.528 20 5 GFBDHM CO[C@@]1(C)C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678617 599688413 /nfs/dbraw/zinc/68/84/13/599688413.db2.gz QCKJZRMJLBKTKB-KSSFIOAISA-N -1 3 383.412 2.939 20 5 GFBDHM CO[C@@]1(C)C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678617 599688414 /nfs/dbraw/zinc/68/84/14/599688414.db2.gz QCKJZRMJLBKTKB-KSSFIOAISA-N -1 3 383.412 2.939 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820165970 607402149 /nfs/dbraw/zinc/40/21/49/607402149.db2.gz TVWJXWDAFCXDRA-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM CC(C)Oc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820165970 607402150 /nfs/dbraw/zinc/40/21/50/607402150.db2.gz TVWJXWDAFCXDRA-UHFFFAOYSA-N -1 3 382.380 2.743 20 5 GFBDHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821703122 607407278 /nfs/dbraw/zinc/40/72/78/607407278.db2.gz PPUDEMFKTZWYJV-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821703122 607407280 /nfs/dbraw/zinc/40/72/80/607407280.db2.gz PPUDEMFKTZWYJV-UHFFFAOYSA-N -1 3 398.379 2.823 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826253321 607413380 /nfs/dbraw/zinc/41/33/80/607413380.db2.gz MDFNDSRHDZGPMM-UHFFFAOYSA-N -1 3 383.364 2.596 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826253321 607413382 /nfs/dbraw/zinc/41/33/82/607413382.db2.gz MDFNDSRHDZGPMM-UHFFFAOYSA-N -1 3 383.364 2.596 20 5 GFBDHM C[C@@H]1CN(CCCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000828451623 601591774 /nfs/dbraw/zinc/59/17/74/601591774.db2.gz VCZYANRNKRVAJS-JHSOUAKNSA-N -1 3 377.441 2.994 20 5 GFBDHM CC(C)CCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824249485 607524311 /nfs/dbraw/zinc/52/43/11/607524311.db2.gz ONOXMEAMEXBRBN-VIFPVBQESA-N -1 3 382.808 2.818 20 5 GFBDHM CC(C)CCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824249485 607524312 /nfs/dbraw/zinc/52/43/12/607524312.db2.gz ONOXMEAMEXBRBN-VIFPVBQESA-N -1 3 382.808 2.818 20 5 GFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826408128 607594958 /nfs/dbraw/zinc/59/49/58/607594958.db2.gz QUOKQVITCRZACZ-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826408128 607594960 /nfs/dbraw/zinc/59/49/60/607594960.db2.gz QUOKQVITCRZACZ-UHFFFAOYSA-N -1 3 392.419 2.899 20 5 GFBDHM CCc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825704430 607610585 /nfs/dbraw/zinc/61/05/85/607610585.db2.gz HXYQOEWROFUINJ-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM CCc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825704430 607610586 /nfs/dbraw/zinc/61/05/86/607610586.db2.gz HXYQOEWROFUINJ-UHFFFAOYSA-N -1 3 383.364 2.703 20 5 GFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826244186 607711908 /nfs/dbraw/zinc/71/19/08/607711908.db2.gz JMGSKTRVFGZUJW-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826244186 607711910 /nfs/dbraw/zinc/71/19/10/607711910.db2.gz JMGSKTRVFGZUJW-UHFFFAOYSA-N -1 3 378.392 2.888 20 5 GFBDHM C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833614914 605020013 /nfs/dbraw/zinc/02/00/13/605020013.db2.gz XJCXBVNNHNNEGM-ZDUSSCGKSA-N -1 3 395.481 2.623 20 5 GFBDHM O=[N+]([O-])c1ccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000823634905 606160889 /nfs/dbraw/zinc/16/08/89/606160889.db2.gz NVFOAODEFJXYJI-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000823634905 606160891 /nfs/dbraw/zinc/16/08/91/606160891.db2.gz NVFOAODEFJXYJI-UHFFFAOYSA-N -1 3 398.398 2.957 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823629654 606199133 /nfs/dbraw/zinc/19/91/33/606199133.db2.gz DIZHXLCASGIFJY-DOMZBBRYSA-N -1 3 386.437 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000823629654 606199135 /nfs/dbraw/zinc/19/91/35/606199135.db2.gz DIZHXLCASGIFJY-DOMZBBRYSA-N -1 3 386.437 2.929 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229576 606444178 /nfs/dbraw/zinc/44/41/78/606444178.db2.gz XKPJXTRXHNJEMD-ZDUSSCGKSA-N -1 3 395.423 2.986 20 5 GFBDHM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229576 606444181 /nfs/dbraw/zinc/44/41/81/606444181.db2.gz XKPJXTRXHNJEMD-ZDUSSCGKSA-N -1 3 395.423 2.986 20 5 GFBDHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919316 606621556 /nfs/dbraw/zinc/62/15/56/606621556.db2.gz BOZWHNDLTZVKEH-DLBZAZTESA-N -1 3 396.407 2.730 20 5 GFBDHM CC[C@H](N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919316 606621557 /nfs/dbraw/zinc/62/15/57/606621557.db2.gz BOZWHNDLTZVKEH-DLBZAZTESA-N -1 3 396.407 2.730 20 5 GFBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000822238737 606725034 /nfs/dbraw/zinc/72/50/34/606725034.db2.gz SEMSTMPPULVGGC-UHFFFAOYSA-N -1 3 381.396 2.879 20 5 GFBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000822238737 606725037 /nfs/dbraw/zinc/72/50/37/606725037.db2.gz SEMSTMPPULVGGC-UHFFFAOYSA-N -1 3 381.396 2.879 20 5 GFBDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820294414 606748880 /nfs/dbraw/zinc/74/88/80/606748880.db2.gz SGWFKHPRHRJHGV-CYBMUJFWSA-N -1 3 397.391 2.718 20 5 GFBDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820294414 606748882 /nfs/dbraw/zinc/74/88/82/606748882.db2.gz SGWFKHPRHRJHGV-CYBMUJFWSA-N -1 3 397.391 2.718 20 5 GFBDHM CCOC(=O)c1ccnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821342454 606788990 /nfs/dbraw/zinc/78/89/90/606788990.db2.gz CLYGBWPYNJCESI-UHFFFAOYSA-N -1 3 390.743 2.792 20 5 GFBDHM CCOC(=O)c1ccnc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821342454 606788991 /nfs/dbraw/zinc/78/89/91/606788991.db2.gz CLYGBWPYNJCESI-UHFFFAOYSA-N -1 3 390.743 2.792 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823417696 607079722 /nfs/dbraw/zinc/07/97/22/607079722.db2.gz FQERKLOSZZLEBR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823417696 607079725 /nfs/dbraw/zinc/07/97/25/607079725.db2.gz FQERKLOSZZLEBR-UHFFFAOYSA-N -1 3 382.311 2.752 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC2(CC1)OCc1ccccc12 ZINC000823629567 607120328 /nfs/dbraw/zinc/12/03/28/607120328.db2.gz ADLNKAMWGKIUNS-UHFFFAOYSA-N -1 3 378.392 2.801 20 5 GFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC2(CC1)OCc1ccccc12 ZINC000823629567 607120330 /nfs/dbraw/zinc/12/03/30/607120330.db2.gz ADLNKAMWGKIUNS-UHFFFAOYSA-N -1 3 378.392 2.801 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000821702252 607158436 /nfs/dbraw/zinc/15/84/36/607158436.db2.gz NEPVFYJYTLFJRP-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000821702252 607158438 /nfs/dbraw/zinc/15/84/38/607158438.db2.gz NEPVFYJYTLFJRP-UHFFFAOYSA-N -1 3 391.771 2.895 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826272525 607863490 /nfs/dbraw/zinc/86/34/90/607863490.db2.gz OIJMIHGNXVEBRT-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826272525 607863491 /nfs/dbraw/zinc/86/34/91/607863491.db2.gz OIJMIHGNXVEBRT-UHFFFAOYSA-N -1 3 388.771 2.754 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1[N+](=O)[O-] ZINC000826292225 607863676 /nfs/dbraw/zinc/86/36/76/607863676.db2.gz LYCRAJFKAFBVCJ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1[N+](=O)[O-] ZINC000826292225 607863677 /nfs/dbraw/zinc/86/36/77/607863677.db2.gz LYCRAJFKAFBVCJ-UHFFFAOYSA-N -1 3 379.336 2.712 20 5 GFBDHM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972726 607937194 /nfs/dbraw/zinc/93/71/94/607937194.db2.gz FZNCHKQKRXWYAI-AWEZNQCLSA-N -1 3 379.380 2.685 20 5 GFBDHM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972726 607937195 /nfs/dbraw/zinc/93/71/95/607937195.db2.gz FZNCHKQKRXWYAI-AWEZNQCLSA-N -1 3 379.380 2.685 20 5 GFBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000825820511 608003803 /nfs/dbraw/zinc/00/38/03/608003803.db2.gz IPJGCRRBTFIQRR-UHFFFAOYSA-N -1 3 395.354 2.601 20 5 GFBDHM CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000825820511 608003804 /nfs/dbraw/zinc/00/38/04/608003804.db2.gz IPJGCRRBTFIQRR-UHFFFAOYSA-N -1 3 395.354 2.601 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826400983 608121628 /nfs/dbraw/zinc/12/16/28/608121628.db2.gz MPVVVAQTFOFCHG-KPKJPENVSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826400983 608121629 /nfs/dbraw/zinc/12/16/29/608121629.db2.gz MPVVVAQTFOFCHG-KPKJPENVSA-N -1 3 390.403 2.979 20 5 GFBDHM O=C(CSCC(F)(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826420104 608161477 /nfs/dbraw/zinc/16/14/77/608161477.db2.gz YLPJSSVKYGSSHO-UHFFFAOYSA-N -1 3 396.738 2.662 20 5 GFBDHM O=C(CSCC(F)(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826420104 608161479 /nfs/dbraw/zinc/16/14/79/608161479.db2.gz YLPJSSVKYGSSHO-UHFFFAOYSA-N -1 3 396.738 2.662 20 5 GFBDHM O=C(Cc1cc(F)ccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826421560 608163479 /nfs/dbraw/zinc/16/34/79/608163479.db2.gz NMJGYDZJCKKUIK-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=C(Cc1cc(F)ccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826421560 608163481 /nfs/dbraw/zinc/16/34/81/608163481.db2.gz NMJGYDZJCKKUIK-UHFFFAOYSA-N -1 3 394.725 2.888 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826499027 608222308 /nfs/dbraw/zinc/22/23/08/608222308.db2.gz SCNYXDSUTRTVQZ-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826499027 608222310 /nfs/dbraw/zinc/22/23/10/608222310.db2.gz SCNYXDSUTRTVQZ-UHFFFAOYSA-N -1 3 376.380 2.847 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824489652 608422565 /nfs/dbraw/zinc/42/25/65/608422565.db2.gz MOSRAAQJTXMFBC-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824489652 608422566 /nfs/dbraw/zinc/42/25/66/608422566.db2.gz MOSRAAQJTXMFBC-GFCCVEGCSA-N -1 3 381.396 2.678 20 5 GFBDHM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625413 608489783 /nfs/dbraw/zinc/48/97/83/608489783.db2.gz HLGSOCVEWZDKPM-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824625413 608489784 /nfs/dbraw/zinc/48/97/84/608489784.db2.gz HLGSOCVEWZDKPM-LLVKDONJSA-N -1 3 392.379 2.676 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cnccc1-c1nnn[n-]1 ZINC000826497677 608770629 /nfs/dbraw/zinc/77/06/29/608770629.db2.gz PSSITFXSWQHPAR-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cnccc1-c1nn[n-]n1 ZINC000826497677 608770635 /nfs/dbraw/zinc/77/06/35/608770635.db2.gz PSSITFXSWQHPAR-UHFFFAOYSA-N -1 3 394.317 2.713 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826272508 609163605 /nfs/dbraw/zinc/16/36/05/609163605.db2.gz NJICKJTYLGSKIF-TWGQIWQCSA-N -1 3 395.375 2.719 20 5 GFBDHM Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826272508 609163606 /nfs/dbraw/zinc/16/36/06/609163606.db2.gz NJICKJTYLGSKIF-TWGQIWQCSA-N -1 3 395.375 2.719 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826185201 609317024 /nfs/dbraw/zinc/31/70/24/609317024.db2.gz BTYHPOXTUULEPO-UHFFFAOYSA-N -1 3 390.306 2.514 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826185201 609317026 /nfs/dbraw/zinc/31/70/26/609317026.db2.gz BTYHPOXTUULEPO-UHFFFAOYSA-N -1 3 390.306 2.514 20 5 GFBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826263934 609384771 /nfs/dbraw/zinc/38/47/71/609384771.db2.gz WKHLHGPHTXVNAL-UHFFFAOYSA-N -1 3 395.423 2.835 20 5 GFBDHM C[C@H]1C[C@H](CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884634 609596665 /nfs/dbraw/zinc/59/66/65/609596665.db2.gz OTRAOCQWJCMQAI-NWDGAFQWSA-N -1 3 383.412 2.940 20 5 GFBDHM C[C@H]1C[C@H](CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884634 609596667 /nfs/dbraw/zinc/59/66/67/609596667.db2.gz OTRAOCQWJCMQAI-NWDGAFQWSA-N -1 3 383.412 2.940 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[n-]n1 ZINC000541438329 650876174 /nfs/dbraw/zinc/87/61/74/650876174.db2.gz AAULWRURTZFURX-UHFFFAOYSA-N -1 3 384.801 2.879 20 5 GFBDHM CCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000541438329 650876175 /nfs/dbraw/zinc/87/61/75/650876175.db2.gz AAULWRURTZFURX-UHFFFAOYSA-N -1 3 384.801 2.879 20 5 GFBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000828374506 660545528 /nfs/dbraw/zinc/54/55/28/660545528.db2.gz UNKVASZLRFZJRQ-OIBJUYFYSA-N -1 3 381.273 2.530 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c(Cl)c1 ZINC000125212055 654789515 /nfs/dbraw/zinc/78/95/15/654789515.db2.gz HEBSPXGXTAMDJJ-UHFFFAOYSA-N -1 3 376.221 2.818 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127826679 654835196 /nfs/dbraw/zinc/83/51/96/654835196.db2.gz AHFLAUMKAXZLSY-RISCZKNCSA-N -1 3 376.862 2.858 20 5 GFBDHM Cc1c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000133890776 654976487 /nfs/dbraw/zinc/97/64/87/654976487.db2.gz VXUUXIWQUGDIAY-UHFFFAOYSA-N -1 3 389.842 2.535 20 5 GFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCc2cccs2)c1 ZINC000158108533 655104876 /nfs/dbraw/zinc/10/48/76/655104876.db2.gz ARBHTHNSXTZKAZ-UHFFFAOYSA-N -1 3 391.268 2.940 20 5 GFBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000272848227 655123191 /nfs/dbraw/zinc/12/31/91/655123191.db2.gz OHUSPSPYKUILFP-UHFFFAOYSA-N -1 3 395.275 2.841 20 5 GFBDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175649255 655225081 /nfs/dbraw/zinc/22/50/81/655225081.db2.gz IIYPMWFMUIHBEJ-MFCFXOSFSA-N -1 3 394.902 2.606 20 5 GFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000473847437 655414921 /nfs/dbraw/zinc/41/49/21/655414921.db2.gz CJFDTDMEZOGYBF-LBPRGKRZSA-N -1 3 381.186 2.606 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c(Br)c1 ZINC000578744755 655486184 /nfs/dbraw/zinc/48/61/84/655486184.db2.gz UDNMEJYXCOHJEH-RKDXNWHRSA-N -1 3 381.223 2.916 20 5 GFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000725828084 655527304 /nfs/dbraw/zinc/52/73/04/655527304.db2.gz VCIDPYFCKVHBIK-LBPRGKRZSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422453 658096255 /nfs/dbraw/zinc/09/62/55/658096255.db2.gz GDPMDNRSPPKIJA-SNVBAGLBSA-N -1 3 396.296 2.912 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCCC1 ZINC000809808297 659940299 /nfs/dbraw/zinc/94/02/99/659940299.db2.gz NJPGLRMOZRSZCE-SECBINFHSA-N -1 3 382.269 2.664 20 5 GFBDHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000809807683 659940313 /nfs/dbraw/zinc/94/03/13/659940313.db2.gz QMDJEPJEMDIPMD-UHFFFAOYSA-N -1 3 393.868 2.930 20 5 GFBDHM COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)ccc1[N+](=O)[O-] ZINC000811831574 660016236 /nfs/dbraw/zinc/01/62/36/660016236.db2.gz FFJWFISNXJGVAK-UHFFFAOYSA-N -1 3 387.757 2.966 20 5 GFBDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811831937 660016375 /nfs/dbraw/zinc/01/63/75/660016375.db2.gz JJTLCIRVLGGFHE-UHFFFAOYSA-N -1 3 384.797 2.977 20 5 GFBDHM CCCN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814981166 660099960 /nfs/dbraw/zinc/09/99/60/660099960.db2.gz YKSFTZRTYFTYKO-UHFFFAOYSA-N -1 3 379.841 2.540 20 5 GFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1(F)F ZINC000849461424 661730352 /nfs/dbraw/zinc/73/03/52/661730352.db2.gz YRWQDAHDPHFSLM-JTQLQIEISA-N -1 3 385.186 2.681 20 5 GFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1(F)F ZINC000851819843 661834536 /nfs/dbraw/zinc/83/45/36/661834536.db2.gz JRRHXKDNHICZSF-JTQLQIEISA-N -1 3 399.213 2.927 20 5 GFBDHM CCSc1nnc([N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000520692210 532497867 /nfs/dbraw/zinc/49/78/67/532497867.db2.gz YYBWUEVFBXGLEA-UHFFFAOYSA-N -1 3 376.423 2.996 20 5 GFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000056142871 551177352 /nfs/dbraw/zinc/17/73/52/551177352.db2.gz KFEANKQKIASJIE-UHFFFAOYSA-N -1 3 380.813 2.683 20 5 GFBDHM Nc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000158290691 551550105 /nfs/dbraw/zinc/55/01/05/551550105.db2.gz HJGOVOLZCQCVDQ-UHFFFAOYSA-N -1 3 375.328 2.674 20 5 GFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC000163471648 551619970 /nfs/dbraw/zinc/61/99/70/551619970.db2.gz FZAVUXSIRSABHW-VIFPVBQESA-N -1 3 382.360 2.707 20 5 GFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173373424 552084591 /nfs/dbraw/zinc/08/45/91/552084591.db2.gz IHLRJWQIFKNACC-HNNXBMFYSA-N -1 3 385.467 2.972 20 5 GFBDHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173475077 552086036 /nfs/dbraw/zinc/08/60/36/552086036.db2.gz GHXNPPWKVDSAOE-SECBINFHSA-N -1 3 386.861 2.508 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000182490480 552285407 /nfs/dbraw/zinc/28/54/07/552285407.db2.gz XNQWSQSCTGUZBS-UHFFFAOYSA-N -1 3 376.862 2.859 20 5 GFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000188392117 552443988 /nfs/dbraw/zinc/44/39/88/552443988.db2.gz VNNWGKACGHFOEW-GFCCVEGCSA-N -1 3 384.376 2.953 20 5 GFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000195417686 553047923 /nfs/dbraw/zinc/04/79/23/553047923.db2.gz LJOKNBVKXKOOJI-UHFFFAOYSA-N -1 3 389.202 2.975 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593901 563851304 /nfs/dbraw/zinc/85/13/04/563851304.db2.gz PNASSULBIKWRDX-HTQZYQBOSA-N -1 3 381.273 2.530 20 5 GFBDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000416620091 563854604 /nfs/dbraw/zinc/85/46/04/563854604.db2.gz RFLAFLVSWDZEHK-SECBINFHSA-N -1 3 393.259 2.593 20 5 GFBDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000420738008 563280737 /nfs/dbraw/zinc/28/07/37/563280737.db2.gz ZTTDVVKNRLTHQY-MWLCHTKSSA-N -1 3 382.360 2.850 20 5 GFBDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000420738009 563280991 /nfs/dbraw/zinc/28/09/91/563280991.db2.gz ZTTDVVKNRLTHQY-ONGXEEELSA-N -1 3 382.360 2.850 20 5 GFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373135028 563329721 /nfs/dbraw/zinc/32/97/21/563329721.db2.gz GWWOMZYXAQMPAP-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373135028 563329725 /nfs/dbraw/zinc/32/97/25/563329725.db2.gz GWWOMZYXAQMPAP-UHFFFAOYSA-N -1 3 395.198 2.851 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000425194705 563410126 /nfs/dbraw/zinc/41/01/26/563410126.db2.gz PBUWGHDUSZXYMA-UHFFFAOYSA-N -1 3 382.410 2.638 20 5 GFBDHM O=C([N-]c1cnc2c(n1)CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000377508182 563477710 /nfs/dbraw/zinc/47/77/10/563477710.db2.gz KDXRTYIXVBJCOE-UHFFFAOYSA-N -1 3 383.227 2.762 20 5 GFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCc2nccs2)c1 ZINC000290242641 563702726 /nfs/dbraw/zinc/70/27/26/563702726.db2.gz ZFRBBYJKDTZXQQ-UHFFFAOYSA-N -1 3 375.859 2.924 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000439234934 563720738 /nfs/dbraw/zinc/72/07/38/563720738.db2.gz JNHZVTQUSWMWOW-UHFFFAOYSA-N -1 3 391.165 2.978 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000443302488 563799723 /nfs/dbraw/zinc/79/97/23/563799723.db2.gz DNCMUZOMDDASKW-CQSZACIVSA-N -1 3 376.862 2.858 20 5 GFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000416535521 563844306 /nfs/dbraw/zinc/84/43/06/563844306.db2.gz JGOAZWLBHXDHHX-VIFPVBQESA-N -1 3 383.451 2.588 20 5 GFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(CSC)c1 ZINC000445760897 563854279 /nfs/dbraw/zinc/85/42/79/563854279.db2.gz VSHSVMMTBGPNPD-UHFFFAOYSA-N -1 3 382.463 2.945 20 5 GFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416634271 563856044 /nfs/dbraw/zinc/85/60/44/563856044.db2.gz YSLPRJLJTZUKJC-ZWNOBZJWSA-N -1 3 384.376 2.687 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2)c(Br)c1 ZINC000447029177 563872633 /nfs/dbraw/zinc/87/26/33/563872633.db2.gz QAPFBYNKAOIPSO-UHFFFAOYSA-N -1 3 377.241 2.897 20 5 GFBDHM C[C@]1(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000368682472 563877090 /nfs/dbraw/zinc/87/70/90/563877090.db2.gz JHAVRRXEBBHVIA-MRXNPFEDSA-N -1 3 382.463 2.564 20 5 GFBDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935135 563891268 /nfs/dbraw/zinc/89/12/68/563891268.db2.gz DPQZVNBHHYUHIS-CYBMUJFWSA-N -1 3 375.878 2.647 20 5 GFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000448103859 563893778 /nfs/dbraw/zinc/89/37/78/563893778.db2.gz XWEIZNIIUYWYSG-JTQLQIEISA-N -1 3 381.435 2.725 20 5 GFBDHM O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(=O)[n-]1 ZINC000471625255 564200753 /nfs/dbraw/zinc/20/07/53/564200753.db2.gz BOSDFLSLPXLIFW-UHFFFAOYSA-N -1 3 376.316 2.618 20 5 GFBDHM COc1c(S(=O)(=O)[N-]C(C)(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000508109171 564254856 /nfs/dbraw/zinc/25/48/56/564254856.db2.gz IMJYNKDMGYTKDT-UHFFFAOYSA-N -1 3 381.248 2.751 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905019 564364719 /nfs/dbraw/zinc/36/47/19/564364719.db2.gz SPGANALDSHVASX-JSGCOSHPSA-N -1 3 383.451 2.558 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000451968888 564374096 /nfs/dbraw/zinc/37/40/96/564374096.db2.gz VAWXWJCCWGZENY-GXFFZTMASA-N -1 3 386.426 2.994 20 5 GFBDHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000480001399 564458032 /nfs/dbraw/zinc/45/80/32/564458032.db2.gz YHZBSYQYRVXQET-UHFFFAOYSA-N -1 3 386.861 2.622 20 5 GFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000520894894 564615734 /nfs/dbraw/zinc/61/57/34/564615734.db2.gz VHVJPCLNPKGOQE-SNVBAGLBSA-N -1 3 375.244 2.992 20 5 GFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000462494054 564843786 /nfs/dbraw/zinc/84/37/86/564843786.db2.gz XEBMJTSKESYLCR-SCZZXKLOSA-N -1 3 382.269 2.663 20 5 GFBDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467403199 564962306 /nfs/dbraw/zinc/96/23/06/564962306.db2.gz JHDCDIYKQVRKPE-UHFFFAOYSA-N -1 3 382.463 2.983 20 5 GFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000467415753 564962653 /nfs/dbraw/zinc/96/26/53/564962653.db2.gz CLZVVDGMXVVSAC-NSHDSACASA-N -1 3 378.472 2.609 20 5 GFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])s1 ZINC000590079648 565177323 /nfs/dbraw/zinc/17/73/23/565177323.db2.gz PCKDJISIJOHTRV-UHFFFAOYSA-N -1 3 378.435 2.725 20 5 GFBDHM CCOC(=O)c1ncc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[n-]1 ZINC000619447483 565341580 /nfs/dbraw/zinc/34/15/80/565341580.db2.gz BUALEKKFTMSXOK-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c[n-]1 ZINC000619447483 565341584 /nfs/dbraw/zinc/34/15/84/565341584.db2.gz BUALEKKFTMSXOK-UHFFFAOYSA-N -1 3 383.158 2.509 20 5 GFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594485573 565394338 /nfs/dbraw/zinc/39/43/38/565394338.db2.gz ABACQBLBGWFDII-GXFFZTMASA-N -1 3 382.360 2.682 20 5 GFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488675 565395651 /nfs/dbraw/zinc/39/56/51/565395651.db2.gz UDRXNRCHFSXPRR-MFKMUULPSA-N -1 3 382.360 2.682 20 5 GFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000594767705 565417872 /nfs/dbraw/zinc/41/78/72/565417872.db2.gz MQYXIDRFWCROAU-UHFFFAOYSA-N -1 3 395.384 2.717 20 5 GFBDHM O=C(c1cc([O-])cc(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599843093 565704732 /nfs/dbraw/zinc/70/47/32/565704732.db2.gz BFQKRJDWYHICNP-UHFFFAOYSA-N -1 3 395.213 2.737 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCN1c1ccc(Cl)cc1 ZINC000738294221 598855850 /nfs/dbraw/zinc/85/58/50/598855850.db2.gz ACCRAMJSJSYFTM-OAHLLOKOSA-N -1 3 399.798 2.646 20 5 GFBDHM O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCN1c1ccc(Cl)cc1 ZINC000738294221 598855852 /nfs/dbraw/zinc/85/58/52/598855852.db2.gz ACCRAMJSJSYFTM-OAHLLOKOSA-N -1 3 399.798 2.646 20 5 GFBDHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737315553 598888550 /nfs/dbraw/zinc/88/85/50/598888550.db2.gz NZGRWUNTIUGLFP-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737315553 598888552 /nfs/dbraw/zinc/88/85/52/598888552.db2.gz NZGRWUNTIUGLFP-LBPRGKRZSA-N -1 3 383.364 2.708 20 5 GFBDHM CCOC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000821321156 599050478 /nfs/dbraw/zinc/05/04/78/599050478.db2.gz UYPNIQPCUSVILE-HNNXBMFYSA-N -1 3 382.380 2.534 20 5 GFBDHM CCOC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000821321156 599050480 /nfs/dbraw/zinc/05/04/80/599050480.db2.gz UYPNIQPCUSVILE-HNNXBMFYSA-N -1 3 382.380 2.534 20 5 GFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3ccc(-c4nnn[n-]4)cc3F)cc2N1 ZINC000823535718 599059021 /nfs/dbraw/zinc/05/90/21/599059021.db2.gz FRSGREUMPIUCQK-UHFFFAOYSA-N -1 3 386.368 2.950 20 5 GFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3ccc(-c4nn[n-]n4)cc3F)cc2N1 ZINC000823535718 599059023 /nfs/dbraw/zinc/05/90/23/599059023.db2.gz FRSGREUMPIUCQK-UHFFFAOYSA-N -1 3 386.368 2.950 20 5 GFBDHM CC(C)OC(=O)NCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735894066 599205473 /nfs/dbraw/zinc/20/54/73/599205473.db2.gz CHQSVQVEMVYUFX-UHFFFAOYSA-N -1 3 398.383 2.548 20 5 GFBDHM CC(C)OC(=O)NCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735894066 599205476 /nfs/dbraw/zinc/20/54/76/599205476.db2.gz CHQSVQVEMVYUFX-UHFFFAOYSA-N -1 3 398.383 2.548 20 5 GFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000736819639 599249134 /nfs/dbraw/zinc/24/91/34/599249134.db2.gz GIOGWCCDSKJONI-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000736819639 599249137 /nfs/dbraw/zinc/24/91/37/599249137.db2.gz GIOGWCCDSKJONI-UHFFFAOYSA-N -1 3 386.799 2.629 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CC3(Cl)Cl)cc(-c3nnn[n-]3)c2c1 ZINC000738367563 599258462 /nfs/dbraw/zinc/25/84/62/599258462.db2.gz VQZRVOBTCAUKPA-SSDOTTSWSA-N -1 3 380.195 2.929 20 5 GFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CC3(Cl)Cl)cc(-c3nn[n-]n3)c2c1 ZINC000738367563 599258465 /nfs/dbraw/zinc/25/84/65/599258465.db2.gz VQZRVOBTCAUKPA-SSDOTTSWSA-N -1 3 380.195 2.929 20 5 GFBDHM O=[N+]([O-])c1cc(F)cc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823634113 607327711 /nfs/dbraw/zinc/32/77/11/607327711.db2.gz AUSGRSBZPPEZRM-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM O=[N+]([O-])c1cc(F)cc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000823634113 607327712 /nfs/dbraw/zinc/32/77/12/607327712.db2.gz AUSGRSBZPPEZRM-UHFFFAOYSA-N -1 3 383.299 2.543 20 5 GFBDHM COc1cccc(N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000737140536 598354313 /nfs/dbraw/zinc/35/43/13/598354313.db2.gz QBXORMJVDWFKCT-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM COc1cccc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737140536 598354314 /nfs/dbraw/zinc/35/43/14/598354314.db2.gz QBXORMJVDWFKCT-CYBMUJFWSA-N -1 3 395.423 2.722 20 5 GFBDHM O=C1OC(c2ccc(-c3nnn[n-]3)cc2)=NC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000738318584 598380889 /nfs/dbraw/zinc/38/08/89/598380889.db2.gz KVKXZNBPRRRHIP-PVZSTHCMSA-N -1 3 388.343 2.676 20 5 GFBDHM O=C1OC(c2ccc(-c3nn[n-]n3)cc2)=NC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000738318584 598380891 /nfs/dbraw/zinc/38/08/91/598380891.db2.gz KVKXZNBPRRRHIP-PVZSTHCMSA-N -1 3 388.343 2.676 20 5 GFBDHM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000736891789 598386658 /nfs/dbraw/zinc/38/66/58/598386658.db2.gz LSGSIZKEORVOIV-HNNXBMFYSA-N -1 3 396.407 2.527 20 5 GFBDHM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000736891789 598386659 /nfs/dbraw/zinc/38/66/59/598386659.db2.gz LSGSIZKEORVOIV-HNNXBMFYSA-N -1 3 396.407 2.527 20 5 GFBDHM COc1ccc(COCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737097458 598456667 /nfs/dbraw/zinc/45/66/67/598456667.db2.gz KFVOXAJFLLBAJS-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM COc1ccc(COCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737097458 598456668 /nfs/dbraw/zinc/45/66/68/598456668.db2.gz KFVOXAJFLLBAJS-UHFFFAOYSA-N -1 3 384.396 2.802 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738320156 598493796 /nfs/dbraw/zinc/49/37/96/598493796.db2.gz RRRQGZVCXZJZQD-XYOKQWHBSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738320156 598493797 /nfs/dbraw/zinc/49/37/97/598493797.db2.gz RRRQGZVCXZJZQD-XYOKQWHBSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738318015 598493823 /nfs/dbraw/zinc/49/38/23/598493823.db2.gz HKGLAIYVDDXSNK-WQLSENKSSA-N -1 3 396.750 2.773 20 5 GFBDHM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738318015 598493824 /nfs/dbraw/zinc/49/38/24/598493824.db2.gz HKGLAIYVDDXSNK-WQLSENKSSA-N -1 3 396.750 2.773 20 5 GFBDHM Cc1nc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)no1 ZINC000737476292 598503694 /nfs/dbraw/zinc/50/36/94/598503694.db2.gz AROJJKYLZMOQDR-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM Cc1nc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)no1 ZINC000737476292 598503696 /nfs/dbraw/zinc/50/36/96/598503696.db2.gz AROJJKYLZMOQDR-UHFFFAOYSA-N -1 3 394.351 2.789 20 5 GFBDHM O=C1[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295620 598582942 /nfs/dbraw/zinc/58/29/42/598582942.db2.gz IYOJHMCPIBBHAK-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM O=C1[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295620 598582943 /nfs/dbraw/zinc/58/29/43/598582943.db2.gz IYOJHMCPIBBHAK-HNNXBMFYSA-N -1 3 382.405 2.673 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000738370923 598613804 /nfs/dbraw/zinc/61/38/04/598613804.db2.gz SNVOQJJENCHPEL-AWEZNQCLSA-N -1 3 380.364 2.845 20 5 GFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000738370923 598613805 /nfs/dbraw/zinc/61/38/05/598613805.db2.gz SNVOQJJENCHPEL-AWEZNQCLSA-N -1 3 380.364 2.845 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000737833578 598653763 /nfs/dbraw/zinc/65/37/63/598653763.db2.gz WPQWMTHOXMOULT-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000737833578 598653766 /nfs/dbraw/zinc/65/37/66/598653766.db2.gz WPQWMTHOXMOULT-UHFFFAOYSA-N -1 3 396.407 2.640 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736638155 598704280 /nfs/dbraw/zinc/70/42/80/598704280.db2.gz VNIXALAONQNURN-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736638155 598704281 /nfs/dbraw/zinc/70/42/81/598704281.db2.gz VNIXALAONQNURN-UHFFFAOYSA-N -1 3 387.327 2.670 20 5 GFBDHM O=[N+]([O-])c1cc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000738358187 598765687 /nfs/dbraw/zinc/76/56/87/598765687.db2.gz ANKAMCKZOJGFQR-UHFFFAOYSA-N -1 3 386.437 2.880 20 5 GFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737949021 598779870 /nfs/dbraw/zinc/77/98/70/598779870.db2.gz VNUGLXIOAARNBG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737949021 598779872 /nfs/dbraw/zinc/77/98/72/598779872.db2.gz VNUGLXIOAARNBG-UHFFFAOYSA-N -1 3 389.368 2.750 20 5 GFBDHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822486346 599316282 /nfs/dbraw/zinc/31/62/82/599316282.db2.gz HDNUIWYDFDXDJG-UHFFFAOYSA-N -1 3 391.395 2.585 20 5 GFBDHM Cc1nn(-c2ccccc2)c(C)c1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822486346 599316285 /nfs/dbraw/zinc/31/62/85/599316285.db2.gz HDNUIWYDFDXDJG-UHFFFAOYSA-N -1 3 391.395 2.585 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c1 ZINC000738367996 599410668 /nfs/dbraw/zinc/41/06/68/599410668.db2.gz AZVOBZQOZKXBRA-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM O=[N+]([O-])c1cccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c1 ZINC000738367996 599410671 /nfs/dbraw/zinc/41/06/71/599410671.db2.gz AZVOBZQOZKXBRA-UHFFFAOYSA-N -1 3 385.815 2.755 20 5 GFBDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821741988 607410448 /nfs/dbraw/zinc/41/04/48/607410448.db2.gz WNVWRAODAURSCX-WTKPLQERSA-N -1 3 381.348 2.540 20 5 GFBDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821741988 607410449 /nfs/dbraw/zinc/41/04/49/607410449.db2.gz WNVWRAODAURSCX-WTKPLQERSA-N -1 3 381.348 2.540 20 5 GFBDHM O=C(Nc1ncc2cc(-c3nnn[n-]3)ccc2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826460611 607468623 /nfs/dbraw/zinc/46/86/23/607468623.db2.gz KEPYMGDDFCONSB-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM O=C(Nc1ncc2cc(-c3nn[n-]n3)ccc2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826460611 607468624 /nfs/dbraw/zinc/46/86/24/607468624.db2.gz KEPYMGDDFCONSB-UHFFFAOYSA-N -1 3 396.754 2.624 20 5 GFBDHM COc1cc2c(cc1CNc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000821727970 607469871 /nfs/dbraw/zinc/46/98/71/607469871.db2.gz QBKUXBJJIOSMKQ-JTQLQIEISA-N -1 3 382.380 2.719 20 5 GFBDHM COc1cc2c(cc1CNc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000821727970 607469874 /nfs/dbraw/zinc/46/98/74/607469874.db2.gz QBKUXBJJIOSMKQ-JTQLQIEISA-N -1 3 382.380 2.719 20 5 GFBDHM COc1cc2c(cc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821728747 607470110 /nfs/dbraw/zinc/47/01/10/607470110.db2.gz ZEIAYVWUHYQRPP-SNVBAGLBSA-N -1 3 382.380 2.719 20 5 GFBDHM COc1cc2c(cc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821728747 607470112 /nfs/dbraw/zinc/47/01/12/607470112.db2.gz ZEIAYVWUHYQRPP-SNVBAGLBSA-N -1 3 382.380 2.719 20 5 GFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1=Cc2ccccc2OC1 ZINC000826450657 607523546 /nfs/dbraw/zinc/52/35/46/607523546.db2.gz XKCSBUAZHMVZGM-UHFFFAOYSA-N -1 3 398.766 2.843 20 5 GFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1=Cc2ccccc2OC1 ZINC000826450657 607523547 /nfs/dbraw/zinc/52/35/47/607523547.db2.gz XKCSBUAZHMVZGM-UHFFFAOYSA-N -1 3 398.766 2.843 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825480748 607595076 /nfs/dbraw/zinc/59/50/76/607595076.db2.gz IZDQDQGHGZMLMF-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CCNc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825480748 607595077 /nfs/dbraw/zinc/59/50/77/607595077.db2.gz IZDQDQGHGZMLMF-UHFFFAOYSA-N -1 3 398.379 2.572 20 5 GFBDHM CN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833685442 605182141 /nfs/dbraw/zinc/18/21/41/605182141.db2.gz HVEQDROKWUOPFF-GOSISDBHSA-N -1 3 385.420 2.999 20 5 GFBDHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821825376 606054552 /nfs/dbraw/zinc/05/45/52/606054552.db2.gz YYWMXSZDAZBZQW-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821825376 606054558 /nfs/dbraw/zinc/05/45/58/606054558.db2.gz YYWMXSZDAZBZQW-UHFFFAOYSA-N -1 3 377.364 2.944 20 5 GFBDHM Nc1nc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncc1[N+](=O)[O-] ZINC000822907607 606242303 /nfs/dbraw/zinc/24/23/03/606242303.db2.gz VEKNRCUVNKYYDD-UHFFFAOYSA-N -1 3 392.335 2.732 20 5 GFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000821123130 606280162 /nfs/dbraw/zinc/28/01/62/606280162.db2.gz KODKHZWUUKTLQT-UHFFFAOYSA-N -1 3 397.395 2.858 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823082607 606374653 /nfs/dbraw/zinc/37/46/53/606374653.db2.gz LRZWQKXMEQHLOG-UHFFFAOYSA-N -1 3 391.746 2.853 20 5 GFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000823082607 606374654 /nfs/dbraw/zinc/37/46/54/606374654.db2.gz LRZWQKXMEQHLOG-UHFFFAOYSA-N -1 3 391.746 2.853 20 5 GFBDHM CC(C)(NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819987595 606415243 /nfs/dbraw/zinc/41/52/43/606415243.db2.gz AZNSPMNZTAWCDO-UHFFFAOYSA-N -1 3 383.437 2.997 20 5 GFBDHM CC(C)(NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819987595 606415245 /nfs/dbraw/zinc/41/52/45/606415245.db2.gz AZNSPMNZTAWCDO-UHFFFAOYSA-N -1 3 383.437 2.997 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000823651934 606431524 /nfs/dbraw/zinc/43/15/24/606431524.db2.gz RZWDHVLHURBSMC-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000823651934 606431525 /nfs/dbraw/zinc/43/15/25/606431525.db2.gz RZWDHVLHURBSMC-UHFFFAOYSA-N -1 3 376.174 2.545 20 5 GFBDHM Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228598 606543327 /nfs/dbraw/zinc/54/33/27/606543327.db2.gz ACNWYTRRDQEJBW-OLZOCXBDSA-N -1 3 396.407 2.728 20 5 GFBDHM CC(C)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987824 606545186 /nfs/dbraw/zinc/54/51/86/606545186.db2.gz NEHPHVVALKGTBQ-UHFFFAOYSA-N -1 3 398.448 2.919 20 5 GFBDHM CC(C)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987824 606545188 /nfs/dbraw/zinc/54/51/88/606545188.db2.gz NEHPHVVALKGTBQ-UHFFFAOYSA-N -1 3 398.448 2.919 20 5 GFBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823557346 606591679 /nfs/dbraw/zinc/59/16/79/606591679.db2.gz KDCPWRPGGDEDJF-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000823557346 606591680 /nfs/dbraw/zinc/59/16/80/606591680.db2.gz KDCPWRPGGDEDJF-UHFFFAOYSA-N -1 3 391.290 2.768 20 5 GFBDHM Cc1nc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)ccc1[N+](=O)[O-] ZINC000822449681 606813231 /nfs/dbraw/zinc/81/32/31/606813231.db2.gz JZQADYOLECSNCX-INIZCTEOSA-N -1 3 397.395 2.520 20 5 GFBDHM Cc1nc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)ccc1[N+](=O)[O-] ZINC000822449681 606813233 /nfs/dbraw/zinc/81/32/33/606813233.db2.gz JZQADYOLECSNCX-INIZCTEOSA-N -1 3 397.395 2.520 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823123206 606997136 /nfs/dbraw/zinc/99/71/36/606997136.db2.gz RXKSJGDSEWHKPC-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823123206 606997137 /nfs/dbraw/zinc/99/71/37/606997137.db2.gz RXKSJGDSEWHKPC-UHFFFAOYSA-N -1 3 396.338 2.612 20 5 GFBDHM CSc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821977330 607072162 /nfs/dbraw/zinc/07/21/62/607072162.db2.gz FPLWHISAPNYEFL-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM CSc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821977330 607072164 /nfs/dbraw/zinc/07/21/64/607072164.db2.gz FPLWHISAPNYEFL-UHFFFAOYSA-N -1 3 389.368 2.993 20 5 GFBDHM Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000799792597 607866399 /nfs/dbraw/zinc/86/63/99/607866399.db2.gz BHRUBPRXLHXKAW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000799792597 607866400 /nfs/dbraw/zinc/86/64/00/607866400.db2.gz BHRUBPRXLHXKAW-UHFFFAOYSA-N -1 3 395.784 2.504 20 5 GFBDHM CC(=O)c1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000824029707 607903660 /nfs/dbraw/zinc/90/36/60/607903660.db2.gz PWSDCYPZRSZSRZ-UHFFFAOYSA-N -1 3 378.392 2.583 20 5 GFBDHM CC(=O)c1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC000824029707 607903661 /nfs/dbraw/zinc/90/36/61/607903661.db2.gz PWSDCYPZRSZSRZ-UHFFFAOYSA-N -1 3 378.392 2.583 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000826498649 607969084 /nfs/dbraw/zinc/96/90/84/607969084.db2.gz DLJJEJPXSKRTRA-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000826498649 607969085 /nfs/dbraw/zinc/96/90/85/607969085.db2.gz DLJJEJPXSKRTRA-AWEZNQCLSA-N -1 3 394.313 2.939 20 5 GFBDHM Cc1c(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236223 608068985 /nfs/dbraw/zinc/06/89/85/608068985.db2.gz CTVITVRXCKWHBO-GOSISDBHSA-N -1 3 380.408 2.657 20 5 GFBDHM Cc1c(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236223 608068986 /nfs/dbraw/zinc/06/89/86/608068986.db2.gz CTVITVRXCKWHBO-GOSISDBHSA-N -1 3 380.408 2.657 20 5 GFBDHM COc1ccccc1OC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826220054 608124287 /nfs/dbraw/zinc/12/42/87/608124287.db2.gz AQRKTLHNMYNAOC-LBPRGKRZSA-N -1 3 384.396 2.911 20 5 GFBDHM COc1ccccc1OC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826220054 608124288 /nfs/dbraw/zinc/12/42/88/608124288.db2.gz AQRKTLHNMYNAOC-LBPRGKRZSA-N -1 3 384.396 2.911 20 5 GFBDHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928096 608161250 /nfs/dbraw/zinc/16/12/50/608161250.db2.gz RCXWTRVKUYDQCJ-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928096 608161252 /nfs/dbraw/zinc/16/12/52/608161252.db2.gz RCXWTRVKUYDQCJ-KOLCDFICSA-N -1 3 394.819 2.962 20 5 GFBDHM CCn1nc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1C ZINC000825806882 608161424 /nfs/dbraw/zinc/16/14/24/608161424.db2.gz ILZUEOXJCJZRJF-UHFFFAOYSA-N -1 3 390.791 2.514 20 5 GFBDHM CCn1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1C ZINC000825806882 608161426 /nfs/dbraw/zinc/16/14/26/608161426.db2.gz ILZUEOXJCJZRJF-UHFFFAOYSA-N -1 3 390.791 2.514 20 5 GFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000825793320 608177688 /nfs/dbraw/zinc/17/76/88/608177688.db2.gz QKBVVWYRURXBDG-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000825793320 608177690 /nfs/dbraw/zinc/17/76/90/608177690.db2.gz QKBVVWYRURXBDG-UHFFFAOYSA-N -1 3 392.379 2.705 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000825632274 608346713 /nfs/dbraw/zinc/34/67/13/608346713.db2.gz NTVZSFSWSTYQTG-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000825632274 608346715 /nfs/dbraw/zinc/34/67/15/608346715.db2.gz NTVZSFSWSTYQTG-UHFFFAOYSA-N -1 3 399.363 2.539 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826170920 608360531 /nfs/dbraw/zinc/36/05/31/608360531.db2.gz VJFZRNKZCPJYOD-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826170920 608360533 /nfs/dbraw/zinc/36/05/33/608360533.db2.gz VJFZRNKZCPJYOD-UHFFFAOYSA-N -1 3 397.391 2.805 20 5 GFBDHM COc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826168097 608375417 /nfs/dbraw/zinc/37/54/17/608375417.db2.gz BQECYQLRGQCNBT-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM COc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826168097 608375419 /nfs/dbraw/zinc/37/54/19/608375419.db2.gz BQECYQLRGQCNBT-UHFFFAOYSA-N -1 3 380.408 2.948 20 5 GFBDHM CC(=CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943803 609477724 /nfs/dbraw/zinc/47/77/24/609477724.db2.gz UJIVRVFEXUWZAM-QBFSEMIESA-N -1 3 378.392 2.837 20 5 GFBDHM CC(=CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943803 609477726 /nfs/dbraw/zinc/47/77/26/609477726.db2.gz UJIVRVFEXUWZAM-QBFSEMIESA-N -1 3 378.392 2.837 20 5 GFBDHM Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)ccc1[N+](=O)[O-] ZINC000133751489 654973060 /nfs/dbraw/zinc/97/30/60/654973060.db2.gz XUWPGSODIXPJJN-UHFFFAOYSA-N -1 3 377.350 2.608 20 5 GFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000159308136 655113024 /nfs/dbraw/zinc/11/30/24/655113024.db2.gz CVKDUXHFVYXNRM-CYBMUJFWSA-N -1 3 391.232 2.914 20 5 GFBDHM CSCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173174519 655164632 /nfs/dbraw/zinc/16/46/32/655164632.db2.gz SREMWSXOOMAFIJ-UHFFFAOYSA-N -1 3 383.289 2.779 20 5 GFBDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175649217 655225089 /nfs/dbraw/zinc/22/50/89/655225089.db2.gz IIYPMWFMUIHBEJ-DRNJLYFOSA-N -1 3 394.902 2.606 20 5 GFBDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000119247715 655295171 /nfs/dbraw/zinc/29/51/71/655295171.db2.gz QNJPYXFOGBPEII-TVQRCGJNSA-N -1 3 384.376 2.689 20 5 GFBDHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000746668631 655765956 /nfs/dbraw/zinc/76/59/56/655765956.db2.gz DPAKMIFEUBGPEB-SCZZXKLOSA-N -1 3 395.300 2.920 20 5 GFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000759169073 655949808 /nfs/dbraw/zinc/94/98/08/655949808.db2.gz KSBPGMGAGIYALF-UHFFFAOYSA-N -1 3 394.743 2.550 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762521187 656045615 /nfs/dbraw/zinc/04/56/15/656045615.db2.gz CMSOTNLEZKFZSL-SUZMYJTESA-N -1 3 394.927 2.906 20 5 GFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762521185 656045749 /nfs/dbraw/zinc/04/57/49/656045749.db2.gz CMSOTNLEZKFZSL-IRUJWGPZSA-N -1 3 394.927 2.906 20 5 GFBDHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419003 658094140 /nfs/dbraw/zinc/09/41/40/658094140.db2.gz RMYNYARPLNBUHC-VIFPVBQESA-N -1 3 382.269 2.664 20 5 GFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000809810670 659940657 /nfs/dbraw/zinc/94/06/57/659940657.db2.gz IETIXAHGAXEJON-SNVBAGLBSA-N -1 3 379.841 2.540 20 5 GFBDHM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCCCCC1 ZINC000814986187 660100099 /nfs/dbraw/zinc/10/00/99/660100099.db2.gz JPCNHQLAJWHOSY-UHFFFAOYSA-N -1 3 379.841 2.542 20 5 GFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)c([N+](=O)[O-])s1 ZINC000867028634 662517842 /nfs/dbraw/zinc/51/78/42/662517842.db2.gz VZEMRPRPNIAYMI-FXPVBKGRSA-N -1 3 380.538 2.623 20 5 GFBDHM