smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164805385 721560180 /nfs/dbraw/zinc/56/01/80/721560180.db2.gz NDYHZINFVMQZSF-HOJAQTOUSA-N 0 0 397.479 2.870 20 5 GFBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001165010420 721702304 /nfs/dbraw/zinc/70/23/04/721702304.db2.gz IFJXTXKOWXOYOQ-UHFFFAOYSA-N 0 0 395.467 2.985 20 5 GFBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H](OCC3CC3)[C@H]3COC[C@@H]32)c1 ZINC001165014233 721761496 /nfs/dbraw/zinc/76/14/96/721761496.db2.gz FQGRDSQQAUGFAX-UBHSHLNASA-N 0 0 389.786 2.818 20 5 GFBDRN Cn1c(=O)c2ccccc2nc1S[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067428518 205246667 /nfs/dbraw/zinc/24/66/67/205246667.db2.gz OBVROGSSEOUMJL-MRXNPFEDSA-N 0 0 396.428 2.739 20 5 GFBDRN Cn1ncc2c1ncnc2SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000011676672 551107210 /nfs/dbraw/zinc/10/72/10/551107210.db2.gz LHJZPPUAZZTNKX-UHFFFAOYSA-N 0 0 378.801 2.656 20 5 GFBDRN O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000019994405 551115056 /nfs/dbraw/zinc/11/50/56/551115056.db2.gz VGCHTFFDECSAJT-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN COc1c(Br)cc(Cl)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000028512790 551124752 /nfs/dbraw/zinc/12/47/52/551124752.db2.gz CAWOYHZHTFWVIF-UHFFFAOYSA-N 0 0 389.593 2.855 20 5 GFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)s1 ZINC000044811560 551144653 /nfs/dbraw/zinc/14/46/53/551144653.db2.gz XMYNULJXTXOSHT-UHFFFAOYSA-N 0 0 381.841 2.789 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCNC(=O)c1cccs1 ZINC000046200495 551149599 /nfs/dbraw/zinc/14/95/99/551149599.db2.gz GHFHLXLTLSGMLS-NSHDSACASA-N 0 0 379.463 2.683 20 5 GFBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Br)cc1 ZINC000052973991 551165444 /nfs/dbraw/zinc/16/54/44/551165444.db2.gz MWYMBKSKWOCKSS-GFCCVEGCSA-N 0 0 396.197 2.720 20 5 GFBDRN Cc1c(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000058749854 551183475 /nfs/dbraw/zinc/18/34/75/551183475.db2.gz PDJGBILNDHIVLO-CQSZACIVSA-N 0 0 392.209 2.622 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000066327750 551186189 /nfs/dbraw/zinc/18/61/89/551186189.db2.gz FWTFUEUWPGZGPW-CQSZACIVSA-N 0 0 381.479 2.599 20 5 GFBDRN NS(=O)(=O)c1ccc(OCc2coc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000121264836 551230591 /nfs/dbraw/zinc/23/05/91/551230591.db2.gz PAGHJPJWKYJOEE-UHFFFAOYSA-N 0 0 381.391 2.538 20 5 GFBDRN O=C(NCCc1cccnc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000121755809 551241810 /nfs/dbraw/zinc/24/18/10/551241810.db2.gz UNJDVVGZEPWGNA-UHFFFAOYSA-N 0 0 397.172 2.567 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000125702801 551323024 /nfs/dbraw/zinc/32/30/24/551323024.db2.gz OBOYNWHZVZOCPU-UHFFFAOYSA-N 0 0 398.388 2.538 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000127141325 551337381 /nfs/dbraw/zinc/33/73/81/551337381.db2.gz HUTMPBJZBLXREC-BXKDBHETSA-N 0 0 387.230 2.590 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(O)c(Br)c2)s1 ZINC000127271108 551339242 /nfs/dbraw/zinc/33/92/42/551339242.db2.gz FUUFDTJGLXNDRK-UHFFFAOYSA-N 0 0 393.240 2.603 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127777824 551345004 /nfs/dbraw/zinc/34/50/04/551345004.db2.gz BLRMKTZUKXINRT-AWEZNQCLSA-N 0 0 382.463 2.981 20 5 GFBDRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1Br ZINC000128062870 551346150 /nfs/dbraw/zinc/34/61/50/551346150.db2.gz RFFMEPHHRZDVDT-LBPRGKRZSA-N 0 0 395.213 2.985 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000128738759 551352061 /nfs/dbraw/zinc/35/20/61/551352061.db2.gz ZQWUCFLCXWAAGY-SECBINFHSA-N 0 0 381.230 2.760 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)Nc2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1 ZINC000129433657 551357435 /nfs/dbraw/zinc/35/74/35/551357435.db2.gz XVFLQGANZHSNCX-UHFFFAOYSA-N 0 0 395.340 2.726 20 5 GFBDRN CCc1cc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n[nH]1 ZINC000130099221 551361756 /nfs/dbraw/zinc/36/17/56/551361756.db2.gz OJCLQRIQAWOQQN-UHFFFAOYSA-N 0 0 386.149 2.737 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnc(-c2ccccc2)s1 ZINC000131109319 551372503 /nfs/dbraw/zinc/37/25/03/551372503.db2.gz DVVUWFVVUAAFJI-UHFFFAOYSA-N 0 0 376.419 2.592 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000131791346 551375651 /nfs/dbraw/zinc/37/56/51/551375651.db2.gz SNYLVLWDFRRGOH-CQSZACIVSA-N 0 0 378.372 2.849 20 5 GFBDRN O=c1c(Br)cn(Cc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000132822368 551379436 /nfs/dbraw/zinc/37/94/36/551379436.db2.gz HKBJUSHZPMWGTA-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN COc1ccccc1-c1nnc(Cn2c(C)nc([N+](=O)[O-])c2Br)o1 ZINC000150924155 551403882 /nfs/dbraw/zinc/40/38/82/551403882.db2.gz XVRJBOMDUWRKIR-UHFFFAOYSA-N 0 0 394.185 2.969 20 5 GFBDRN Cc1nn(C)c(C)c1NC(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000151152589 551408006 /nfs/dbraw/zinc/40/80/06/551408006.db2.gz OAQMNJUZHNMJQD-UHFFFAOYSA-N 0 0 383.202 2.725 20 5 GFBDRN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000152176257 551427956 /nfs/dbraw/zinc/42/79/56/551427956.db2.gz DQOPQLUOOPGWTG-BXKDBHETSA-N 0 0 382.360 2.538 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCCS1 ZINC000152263074 551429406 /nfs/dbraw/zinc/42/94/06/551429406.db2.gz BSEBUGAHKNSVMO-SECBINFHSA-N 0 0 381.273 2.531 20 5 GFBDRN CCS[C@H]1CCCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000152868523 551441635 /nfs/dbraw/zinc/44/16/35/551441635.db2.gz CQMCZYYMVYIGIH-ZDUSSCGKSA-N 0 0 387.527 2.957 20 5 GFBDRN O=C(NCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000153022517 551444830 /nfs/dbraw/zinc/44/48/30/551444830.db2.gz GYDSOQBRPGQGRZ-UHFFFAOYSA-N 0 0 392.209 2.517 20 5 GFBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)Nc1ccccc1Cl ZINC000153467682 551453384 /nfs/dbraw/zinc/45/33/84/551453384.db2.gz HZFMXDDJYXCQFY-UHFFFAOYSA-N 0 0 386.589 2.811 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(Br)cn2C)c1 ZINC000153528611 551454936 /nfs/dbraw/zinc/45/49/36/551454936.db2.gz SDPJXJXDROXAPW-UHFFFAOYSA-N 0 0 382.214 2.977 20 5 GFBDRN CN(Cc1cc(Br)cn1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000153577799 551455917 /nfs/dbraw/zinc/45/59/17/551455917.db2.gz YTIIOKJQTCZGIN-UHFFFAOYSA-N 0 0 382.214 2.733 20 5 GFBDRN O=C(NCCSCCCO)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000153741963 551459427 /nfs/dbraw/zinc/45/94/27/551459427.db2.gz IWUGAEGCEQCGDS-UHFFFAOYSA-N 0 0 397.678 2.856 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1nc(C2CC2)no1 ZINC000153881102 551462100 /nfs/dbraw/zinc/46/21/00/551462100.db2.gz LKRZPESRAOHEJP-UHFFFAOYSA-N 0 0 388.199 2.592 20 5 GFBDRN NC(=O)CCn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nnc1C1CC1 ZINC000154363793 551473427 /nfs/dbraw/zinc/47/34/27/551473427.db2.gz FDCJPWALVOVYFV-UHFFFAOYSA-N 0 0 381.845 2.885 20 5 GFBDRN NC(=O)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000154571054 551477998 /nfs/dbraw/zinc/47/79/98/551477998.db2.gz DRAWFKNXJIORQC-UHFFFAOYSA-N 0 0 392.209 2.880 20 5 GFBDRN NC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155139666 551492762 /nfs/dbraw/zinc/49/27/62/551492762.db2.gz BIZGJFYAWCXLEW-GXSJLCMTSA-N 0 0 385.218 2.523 20 5 GFBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cncc(Br)c1 ZINC000156072242 551513803 /nfs/dbraw/zinc/51/38/03/551513803.db2.gz MIPKOSYEJLNVSG-UHFFFAOYSA-N 0 0 394.181 2.705 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000156112295 551514637 /nfs/dbraw/zinc/51/46/37/551514637.db2.gz VGKBLAJYFBIINM-ZDUSSCGKSA-N 0 0 393.259 2.513 20 5 GFBDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000158235243 551549102 /nfs/dbraw/zinc/54/91/02/551549102.db2.gz SMSRZWKSWNKOOL-JQWIXIFHSA-N 0 0 386.246 2.556 20 5 GFBDRN O=C(c1ccco1)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000158464153 551552378 /nfs/dbraw/zinc/55/23/78/551552378.db2.gz DOTHOEBFYYHOCL-UHFFFAOYSA-N 0 0 394.225 2.908 20 5 GFBDRN CCc1ncc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000158868983 551557963 /nfs/dbraw/zinc/55/79/63/551557963.db2.gz DYSSRDFGVCJZHM-UHFFFAOYSA-N 0 0 398.160 2.804 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2nccs2)CC1 ZINC000159138980 551561537 /nfs/dbraw/zinc/56/15/37/551561537.db2.gz CNDHPHWRDJBVEB-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000159691562 551569332 /nfs/dbraw/zinc/56/93/32/551569332.db2.gz QKDOWEBBENKOSR-UHFFFAOYSA-N 0 0 377.813 2.987 20 5 GFBDRN CC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000162086101 551602936 /nfs/dbraw/zinc/60/29/36/551602936.db2.gz ZWRWIQHRRYQCDM-JTQLQIEISA-N 0 0 382.269 2.664 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC000163988165 551623704 /nfs/dbraw/zinc/62/37/04/551623704.db2.gz ZWSSTGKMTKROOJ-UHFFFAOYSA-N 0 0 382.764 2.800 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000172286107 551674958 /nfs/dbraw/zinc/67/49/58/551674958.db2.gz NNAOFFMMMOSOBK-UHFFFAOYSA-N 0 0 382.825 2.704 20 5 GFBDRN Cc1cnc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000173638528 552089792 /nfs/dbraw/zinc/08/97/92/552089792.db2.gz MXAZXZPVQMRWJF-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc(C(F)(F)F)cs2)s1 ZINC000174030927 552097577 /nfs/dbraw/zinc/09/75/77/552097577.db2.gz LKIZJFJAIXAEMU-UHFFFAOYSA-N 0 0 387.386 2.653 20 5 GFBDRN COC(=O)c1cc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])oc1C ZINC000175595221 552125779 /nfs/dbraw/zinc/12/57/79/552125779.db2.gz HBZKUWISWHEMHR-UHFFFAOYSA-N 0 0 397.181 2.975 20 5 GFBDRN COc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1O ZINC000176378184 552140071 /nfs/dbraw/zinc/14/00/71/552140071.db2.gz ZWQGKMBWATXCKM-UHFFFAOYSA-N 0 0 395.209 2.930 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000176671026 552143615 /nfs/dbraw/zinc/14/36/15/552143615.db2.gz FHNPZJADQMNIJT-LLVKDONJSA-N 0 0 384.845 2.848 20 5 GFBDRN CSc1ccc(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000178102755 552164202 /nfs/dbraw/zinc/16/42/02/552164202.db2.gz BTISLOBTJZUYBI-UHFFFAOYSA-N 0 0 398.238 2.880 20 5 GFBDRN COC(=O)C[C@H]1CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000178853849 552177238 /nfs/dbraw/zinc/17/72/38/552177238.db2.gz MXBMRYGMIVGHON-LLVKDONJSA-N 0 0 385.214 2.833 20 5 GFBDRN CC1(O)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000179182179 552186125 /nfs/dbraw/zinc/18/61/25/552186125.db2.gz USKFVAPPEQMJGK-UHFFFAOYSA-N 0 0 377.622 2.998 20 5 GFBDRN C[C@@H](NC(=O)C(=O)Nc1cncc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000179478300 552194594 /nfs/dbraw/zinc/19/45/94/552194594.db2.gz JVEUFESKIVBOFH-SECBINFHSA-N 0 0 393.197 2.568 20 5 GFBDRN O=C(C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1 ZINC000180012032 552209885 /nfs/dbraw/zinc/20/98/85/552209885.db2.gz IGSCDIONCSFOCH-UHFFFAOYSA-N 0 0 388.251 2.977 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)cc([N+](=O)[O-])c1F ZINC000180108577 552213404 /nfs/dbraw/zinc/21/34/04/552213404.db2.gz ZQKNTPVIKISCRN-CQSZACIVSA-N 0 0 386.426 2.866 20 5 GFBDRN CNS(=O)(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1Cl)n2C ZINC000181352062 552254134 /nfs/dbraw/zinc/25/41/34/552254134.db2.gz FCMNCSQZIWUCQO-UHFFFAOYSA-N 0 0 380.813 2.710 20 5 GFBDRN COc1ccc(OCCn2cc(Br)cc(C)c2=O)c([N+](=O)[O-])c1 ZINC000181699078 552265930 /nfs/dbraw/zinc/26/59/30/552265930.db2.gz KZMOAHOTMZVNGH-UHFFFAOYSA-N 0 0 383.198 2.915 20 5 GFBDRN CN(C)C(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181773218 552267660 /nfs/dbraw/zinc/26/76/60/552267660.db2.gz YOSXARJCJJUWSU-UHFFFAOYSA-N 0 0 385.873 2.667 20 5 GFBDRN Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(-c2ccccc2)n1 ZINC000182325788 552280863 /nfs/dbraw/zinc/28/08/63/552280863.db2.gz SIAJQGRTXMWBCN-UHFFFAOYSA-N 0 0 378.435 2.535 20 5 GFBDRN CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000182342472 552281517 /nfs/dbraw/zinc/28/15/17/552281517.db2.gz PKWWYRFNBNUBPN-UHFFFAOYSA-N 0 0 381.841 2.719 20 5 GFBDRN CCS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000182599884 552288311 /nfs/dbraw/zinc/28/83/11/552288311.db2.gz SIYCMMYCKIITOX-UHFFFAOYSA-N 0 0 382.825 2.972 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH]cc(Br)c1=O ZINC000183107367 552300516 /nfs/dbraw/zinc/30/05/16/552300516.db2.gz IFECJCJGVITLBK-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1cc2c(cc1Br)OCCCO2 ZINC000183141284 552301417 /nfs/dbraw/zinc/30/14/17/552301417.db2.gz COQGXEALOVGSLC-UHFFFAOYSA-N 0 0 381.182 2.729 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000183502658 552311375 /nfs/dbraw/zinc/31/13/75/552311375.db2.gz QIYYZEWBNXNYJY-NSHDSACASA-N 0 0 384.845 2.848 20 5 GFBDRN NS(=O)(=O)c1cccc(NCc2ccccc2Br)c1[N+](=O)[O-] ZINC000183844347 552320934 /nfs/dbraw/zinc/32/09/34/552320934.db2.gz PCECGTKIWFIIOG-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCOCC1 ZINC000184819776 552345119 /nfs/dbraw/zinc/34/51/19/552345119.db2.gz DZLMNJODVTVULH-UHFFFAOYSA-N 0 0 389.271 2.999 20 5 GFBDRN 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/nfs/dbraw/zinc/22/36/55/564223655.db2.gz DEIHZWOACAUNTK-UHFFFAOYSA-N 0 0 384.435 2.671 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(SCCO)n1 ZINC000507292298 564225090 /nfs/dbraw/zinc/22/50/90/564225090.db2.gz QQUZEHSRERFDHM-UHFFFAOYSA-N 0 0 383.455 2.552 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000564316861 564229086 /nfs/dbraw/zinc/22/90/86/564229086.db2.gz SKKLKSMOBBMSOU-UHFFFAOYSA-N 0 0 377.300 2.714 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000472703194 564232012 /nfs/dbraw/zinc/23/20/12/564232012.db2.gz WYUFTPCKBSPDMP-GFCCVEGCSA-N 0 0 376.843 2.630 20 5 GFBDRN Cc1nc(N[C@H]2CCN(c3cccc(Br)c3)C2=O)ncc1[N+](=O)[O-] ZINC000450484981 564234545 /nfs/dbraw/zinc/23/45/45/564234545.db2.gz MZTRPWCWVKIXFJ-LBPRGKRZSA-N 0 0 392.213 2.673 20 5 GFBDRN COC(=O)c1cc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)oc1C ZINC000507634436 564236210 /nfs/dbraw/zinc/23/62/10/564236210.db2.gz HQEFMVWPLACWHW-UHFFFAOYSA-N 0 0 385.419 2.979 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1SC ZINC000472909415 564236295 /nfs/dbraw/zinc/23/62/95/564236295.db2.gz WIHXZDWOIXMDEU-UHFFFAOYSA-N 0 0 383.813 2.930 20 5 GFBDRN O=C(CC[S@@](=O)c1ccc(Br)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000507747722 564242100 /nfs/dbraw/zinc/24/21/00/564242100.db2.gz DGPICXVRSMUROX-HSZRJFAPSA-N 0 0 398.238 2.889 20 5 GFBDRN CSc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1[N+](=O)[O-] ZINC000507923727 564247664 /nfs/dbraw/zinc/24/76/64/564247664.db2.gz YFXQEIGGPGWXQP-UHFFFAOYSA-N 0 0 378.479 2.731 20 5 GFBDRN NS(=O)(=O)c1cc(N[C@H]2CCO[C@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000450870034 564252211 /nfs/dbraw/zinc/25/22/11/564252211.db2.gz YQFOMDQIFMRBPZ-HZMBPMFUSA-N 0 0 383.451 2.636 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000450903951 564254889 /nfs/dbraw/zinc/25/48/89/564254889.db2.gz LSWGELWTEQAVBT-LBPRGKRZSA-N 0 0 387.230 2.746 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CC[C@@H](c2cccnc2)C1 ZINC000564902683 564255559 /nfs/dbraw/zinc/25/55/59/564255559.db2.gz BKGCFNNNJBLMGW-LLVKDONJSA-N 0 0 396.188 2.983 20 5 GFBDRN COC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000474161658 564267567 /nfs/dbraw/zinc/26/75/67/564267567.db2.gz YFWVPGJIUTZSOV-ZDUSSCGKSA-N 0 0 384.841 2.784 20 5 GFBDRN COc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccc1[N+](=O)[O-] ZINC000508861237 564274966 /nfs/dbraw/zinc/27/49/66/564274966.db2.gz HOHFBGSOAAVCOV-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3ccc(Cl)c(F)c32)c([N+](=O)[O-])n1 ZINC000451106621 564275615 /nfs/dbraw/zinc/27/56/15/564275615.db2.gz WDAFCBYTXSQGOC-UHFFFAOYSA-N 0 0 388.808 2.745 20 5 GFBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000474590891 564282747 /nfs/dbraw/zinc/28/27/47/564282747.db2.gz BOTBAKBWTBMDBB-CYBMUJFWSA-N 0 0 393.193 2.927 20 5 GFBDRN Cc1ccoc1C(=O)NCCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000541576428 564284269 /nfs/dbraw/zinc/28/42/69/564284269.db2.gz JFHFFWHMZXVHAE-UHFFFAOYSA-N 0 0 397.229 2.616 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1 ZINC000541801973 564289737 /nfs/dbraw/zinc/28/97/37/564289737.db2.gz QXQMLDJLZMMVKF-XMMPIXPASA-N 0 0 382.463 2.891 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCOC[C@@H]1CCOC1 ZINC000542195538 564303838 /nfs/dbraw/zinc/30/38/38/564303838.db2.gz JCWWJTSYQRSEMH-LBPRGKRZSA-N 0 0 388.873 2.900 20 5 GFBDRN Cc1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475448139 564308665 /nfs/dbraw/zinc/30/86/65/564308665.db2.gz VEFCYLHGUGBGTM-HNNXBMFYSA-N 0 0 378.226 2.982 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)c3sccc3Cl)CC2)n1 ZINC000451460046 564316201 /nfs/dbraw/zinc/31/62/01/564316201.db2.gz RHWWVCSOQFOCGP-UHFFFAOYSA-N 0 0 376.847 2.532 20 5 GFBDRN CO[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545036 564324330 /nfs/dbraw/zinc/32/43/30/564324330.db2.gz NPQSNTMBKJUXAQ-IINYFYTJSA-N 0 0 386.246 2.653 20 5 GFBDRN O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2-n2cncn2)cc1Br ZINC000475993816 564325485 /nfs/dbraw/zinc/32/54/85/564325485.db2.gz BZFSTGXIGGJMFH-UHFFFAOYSA-N 0 0 383.593 2.836 20 5 GFBDRN O=C(NCCC1(F)CCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000510307377 564330255 /nfs/dbraw/zinc/33/02/55/564330255.db2.gz MXRXCLUPILPASB-UHFFFAOYSA-N 0 0 388.193 2.694 20 5 GFBDRN O=C(N[C@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000542907799 564331564 /nfs/dbraw/zinc/33/15/64/564331564.db2.gz JVNUNLVGFWLTEX-CYBMUJFWSA-N 0 0 380.198 2.606 20 5 GFBDRN CCC[C@@]1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000510486903 564335881 /nfs/dbraw/zinc/33/58/81/564335881.db2.gz CSKCPLULBPRJQW-CYBMUJFWSA-N 0 0 393.259 2.595 20 5 GFBDRN CCC[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000510507053 564336558 /nfs/dbraw/zinc/33/65/58/564336558.db2.gz WPYGYBFBRBRSDX-CYBMUJFWSA-N 0 0 393.259 2.595 20 5 GFBDRN COC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451699534 564341135 /nfs/dbraw/zinc/34/11/35/564341135.db2.gz VMYULIGIOGETFM-PWSUYJOCSA-N 0 0 390.845 2.648 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000451716052 564342869 /nfs/dbraw/zinc/34/28/69/564342869.db2.gz LTMNUZDMIBJIEU-LBPRGKRZSA-N 0 0 375.244 2.839 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCN(CC(F)(F)F)C2=O)ncc1[N+](=O)[O-] ZINC000543435097 564350637 /nfs/dbraw/zinc/35/06/37/564350637.db2.gz FYHFIHLLMMNCPC-SSDOTTSWSA-N 0 0 397.151 2.636 20 5 GFBDRN O=C1NCCc2ccc(CNc3ncc([N+](=O)[O-])cc3Br)cc21 ZINC000543454991 564351713 /nfs/dbraw/zinc/35/17/13/564351713.db2.gz RECWTBZVRSMPKV-UHFFFAOYSA-N 0 0 377.198 2.650 20 5 GFBDRN O=C(COc1ccccc1[N+](=O)[O-])N1CCOc2ncc(Br)cc21 ZINC000543501317 564352485 /nfs/dbraw/zinc/35/24/85/564352485.db2.gz JTOIIJOFCMKPCT-UHFFFAOYSA-N 0 0 394.181 2.557 20 5 GFBDRN COCCO[C@H]1C[C@@H](CO)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000567119251 564358160 /nfs/dbraw/zinc/35/81/60/564358160.db2.gz BMEDMLCFHCPZQK-PWSUYJOCSA-N 0 0 379.240 2.752 20 5 GFBDRN CC(=O)N1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000477137942 564366312 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GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000478128283 564395957 /nfs/dbraw/zinc/39/59/57/564395957.db2.gz LVDWLXFWOFSDBN-SNVBAGLBSA-N 0 0 385.207 2.929 20 5 GFBDRN Cc1ccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000478375198 564401020 /nfs/dbraw/zinc/40/10/20/564401020.db2.gz YJVGJHABWUTAGP-UHFFFAOYSA-N 0 0 383.198 2.893 20 5 GFBDRN CC1(F)CC(NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000452280010 564402279 /nfs/dbraw/zinc/40/22/79/564402279.db2.gz OYVRFGHRWSRKQB-UHFFFAOYSA-N 0 0 378.141 2.820 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)Oc1cccc(Br)c1 ZINC000545378250 564421026 /nfs/dbraw/zinc/42/10/26/564421026.db2.gz QUCCAWNLAUIFEN-VIFPVBQESA-N 0 0 395.213 2.532 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000545524715 564427207 /nfs/dbraw/zinc/42/72/07/564427207.db2.gz QETZLJVLOUCYNP-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN COC(=O)c1ccccc1CCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000479158683 564428519 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O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1c(Cl)cccc1Cl ZINC000514533370 564449844 /nfs/dbraw/zinc/44/98/44/564449844.db2.gz LSENDUJIEGHJRB-UHFFFAOYSA-N 0 0 382.203 2.948 20 5 GFBDRN CSCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000514620729 564451376 /nfs/dbraw/zinc/45/13/76/564451376.db2.gz QUOWQORMCDDXFE-UHFFFAOYSA-N 0 0 387.464 2.576 20 5 GFBDRN CN(C1CCCCC1)S(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479910050 564454168 /nfs/dbraw/zinc/45/41/68/564454168.db2.gz CFWIYTMKLCTGQI-UHFFFAOYSA-N 0 0 375.878 2.890 20 5 GFBDRN O=[N+]([O-])c1ccn(Cc2nc(CCc3ccccc3Br)no2)n1 ZINC000546462828 564456154 /nfs/dbraw/zinc/45/61/54/564456154.db2.gz HTKOBRQZMGWRBB-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN CN(C)S(=O)(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)c1 ZINC000546492146 564457503 /nfs/dbraw/zinc/45/75/03/564457503.db2.gz ZLRQVGYDZGGVMZ-UHFFFAOYSA-N 0 0 380.407 2.624 20 5 GFBDRN O=C(Nc1ncnn1-c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000514829826 564459022 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O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cc(F)c(F)cc1Br ZINC000557685495 564872483 /nfs/dbraw/zinc/87/24/83/564872483.db2.gz ADAIDLPSBDEKPQ-UHFFFAOYSA-N 0 0 389.156 2.539 20 5 GFBDRN O=C(CS(=O)(=O)C1CCCC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149602 564890269 /nfs/dbraw/zinc/89/02/69/564890269.db2.gz NYHCEKURZPOPBF-MRXNPFEDSA-N 0 0 384.479 2.526 20 5 GFBDRN CC(C)CCc1nc(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cs1 ZINC000583563940 564897591 /nfs/dbraw/zinc/89/75/91/564897591.db2.gz NVHYJGOYVSYFKH-UHFFFAOYSA-N 0 0 385.467 2.866 20 5 GFBDRN CCCCNC(=O)NC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000532106949 564929015 /nfs/dbraw/zinc/92/90/15/564929015.db2.gz XYKGAMHSHTYJTN-UHFFFAOYSA-N 0 0 388.218 2.670 20 5 GFBDRN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000532297196 564933959 /nfs/dbraw/zinc/93/39/59/564933959.db2.gz FTWIHOKVHLMRPG-CQSZACIVSA-N 0 0 390.845 2.648 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1cccc(Br)c1 ZINC000532392620 564936444 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C[C@@](O)(CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000501082146 564970174 /nfs/dbraw/zinc/97/01/74/564970174.db2.gz HVUZHZLJZRFSDB-SNVBAGLBSA-N 0 0 386.124 2.792 20 5 GFBDRN CCOCCOC1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501101783 564970812 /nfs/dbraw/zinc/97/08/12/564970812.db2.gz UGCUPOQZKPMCKC-UHFFFAOYSA-N 0 0 388.218 2.627 20 5 GFBDRN CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501103107 564970815 /nfs/dbraw/zinc/97/08/15/564970815.db2.gz AQWLBQYLMMOWRN-NSHDSACASA-N 0 0 399.245 2.689 20 5 GFBDRN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000501105063 564970947 /nfs/dbraw/zinc/97/09/47/564970947.db2.gz JIVDZGYXSKKQEO-SNVBAGLBSA-N 0 0 399.245 2.880 20 5 GFBDRN COC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000501125876 564971618 /nfs/dbraw/zinc/97/16/18/564971618.db2.gz AKHJFFNMLYQJBV-TVQRCGJNSA-N 0 0 388.218 2.625 20 5 GFBDRN O=C(c1cnn2cc(Br)cnc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000560663135 564971718 /nfs/dbraw/zinc/97/17/18/564971718.db2.gz GIRHMXHAVHMOGQ-UHFFFAOYSA-N 0 0 388.181 2.603 20 5 GFBDRN Cc1noc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000501299206 564975811 /nfs/dbraw/zinc/97/58/11/564975811.db2.gz BAIAJCLWYUUSTF-UHFFFAOYSA-N 0 0 383.202 2.643 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)cc(Br)c1F ZINC000468220458 564980435 /nfs/dbraw/zinc/98/04/35/564980435.db2.gz XFQTXNVFCXWMAU-UHFFFAOYSA-N 0 0 375.129 2.779 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534129815 564980850 /nfs/dbraw/zinc/98/08/50/564980850.db2.gz UEKUOPGZHOZVTE-LLVKDONJSA-N 0 0 385.136 2.709 20 5 GFBDRN O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000501697130 564984996 /nfs/dbraw/zinc/98/49/96/564984996.db2.gz JZQPFVQOFFECAQ-CQSZACIVSA-N 0 0 397.200 2.830 20 5 GFBDRN C[C@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561297943 564990141 /nfs/dbraw/zinc/99/01/41/564990141.db2.gz SDHMDAWAENXLQF-JOYOIKCWSA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1cccc2c1OC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000561402947 564994028 /nfs/dbraw/zinc/99/40/28/564994028.db2.gz OBCNUGLWSPLKLQ-GFCCVEGCSA-N 0 0 382.825 2.839 20 5 GFBDRN NC(=O)c1cc(Br)ccc1OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000561523967 564998512 /nfs/dbraw/zinc/99/85/12/564998512.db2.gz MMELRQFYVPBUAE-UHFFFAOYSA-N 0 0 379.166 2.718 20 5 GFBDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000535132989 565005388 /nfs/dbraw/zinc/00/53/88/565005388.db2.gz FVFXQFFYQVHVPQ-JTQLQIEISA-N 0 0 399.220 2.830 20 5 GFBDRN CN(CCCNC(=O)C1CCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000469987355 565033895 /nfs/dbraw/zinc/03/38/95/565033895.db2.gz OCWGRLJVGDJVMX-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(Oc2ccncc2)C1 ZINC000585698286 565105064 /nfs/dbraw/zinc/10/50/64/565105064.db2.gz GMEUXZFNLORVQR-UHFFFAOYSA-N 0 0 392.209 2.964 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(C)(C)C ZINC000585699472 565105562 /nfs/dbraw/zinc/10/55/62/565105562.db2.gz LYWFENILHUTVTJ-GFCCVEGCSA-N 0 0 387.230 2.983 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000586772535 565115921 /nfs/dbraw/zinc/11/59/21/565115921.db2.gz KJPZRKURPFDIPN-CMPLNLGQSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000586772162 565116089 /nfs/dbraw/zinc/11/60/89/565116089.db2.gz NSYIMDAPZWZOQS-MNOVXSKESA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNc1nc(C2CC2)ncc1Br ZINC000589105290 565150839 /nfs/dbraw/zinc/15/08/39/565150839.db2.gz CTSUUXOFYAQMTL-UHFFFAOYSA-N 0 0 378.230 2.971 20 5 GFBDRN NS(=O)(=O)c1ccc(NCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000589110981 565150979 /nfs/dbraw/zinc/15/09/79/565150979.db2.gz PLYZEZRUXVGMAA-UHFFFAOYSA-N 0 0 380.407 2.571 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000589255331 565156969 /nfs/dbraw/zinc/15/69/69/565156969.db2.gz WZWJXNSPCQSRLM-CQSZACIVSA-N 0 0 388.205 2.812 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC23CCOCC3)c1 ZINC000589515180 565165021 /nfs/dbraw/zinc/16/50/21/565165021.db2.gz RYTWHSODWIDQOU-UHFFFAOYSA-N 0 0 388.205 2.954 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CNc2cccc(CO)n2)c1 ZINC000589596691 565167361 /nfs/dbraw/zinc/16/73/61/565167361.db2.gz DSZUINLANGLNGE-UHFFFAOYSA-N 0 0 385.161 2.699 20 5 GFBDRN Cc1nc(CS(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000616175959 565192734 /nfs/dbraw/zinc/19/27/34/565192734.db2.gz ISGHOSSOGNLYON-AWEZNQCLSA-N 0 0 385.492 2.937 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000616420863 565200700 /nfs/dbraw/zinc/20/07/00/565200700.db2.gz CYFNZAQSOFTJSC-QWRGUYRKSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972153 565211823 /nfs/dbraw/zinc/21/18/23/565211823.db2.gz LJQNXUATPMNOEU-RISCZKNCSA-N 0 0 388.205 2.810 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CCO2)CC1 ZINC000591328417 565225387 /nfs/dbraw/zinc/22/53/87/565225387.db2.gz HCMNCTHFOWZMKZ-UHFFFAOYSA-N 0 0 380.344 2.557 20 5 GFBDRN Cc1cccc2nc(CCNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cn21 ZINC000592006682 565247416 /nfs/dbraw/zinc/24/74/16/565247416.db2.gz SQMKLGAVRYZYRI-UHFFFAOYSA-N 0 0 380.451 2.671 20 5 GFBDRN COc1ncc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000592029275 565248631 /nfs/dbraw/zinc/24/86/31/565248631.db2.gz AJUFIOPJQJJYNE-UHFFFAOYSA-N 0 0 383.813 2.793 20 5 GFBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)CCC[C@@H]2CCOC2)cc1 ZINC000592039922 565248984 /nfs/dbraw/zinc/24/89/84/565248984.db2.gz JLGMGQDVLYCOEX-CZUORRHYSA-N 0 0 386.495 2.789 20 5 GFBDRN COc1ncc(S(=O)(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000592050120 565250284 /nfs/dbraw/zinc/25/02/84/565250284.db2.gz GFLSIDYPRGXQBO-UHFFFAOYSA-N 0 0 385.829 2.515 20 5 GFBDRN COC(=O)[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592076206 565252835 /nfs/dbraw/zinc/25/28/35/565252835.db2.gz WUMZNLBFANCLLF-NSHDSACASA-N 0 0 378.834 2.504 20 5 GFBDRN C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113620 565258175 /nfs/dbraw/zinc/25/81/75/565258175.db2.gz OBAYABUEMGDVBG-XVKPBYJWSA-N 0 0 381.273 2.530 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000618383307 565297872 /nfs/dbraw/zinc/29/78/72/565297872.db2.gz ZXTUPTWLXYLIHL-UHFFFAOYSA-N 0 0 396.172 2.796 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1ccc(F)cc1Cl ZINC000619483655 565343150 /nfs/dbraw/zinc/34/31/50/565343150.db2.gz AIYWRKXMJJBCBW-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN Cc1c(NC(=O)N2C[C@@H](O)CC(F)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541260 565348305 /nfs/dbraw/zinc/34/83/05/565348305.db2.gz ATZOSYHKJOYHSP-VIFPVBQESA-N 0 0 394.172 2.900 20 5 GFBDRN CCN([C@H]1CCCOC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593637621 565350557 /nfs/dbraw/zinc/35/05/57/565350557.db2.gz UXEFGUABIFQPEM-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN C[C@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593654030 565353999 /nfs/dbraw/zinc/35/39/99/565353999.db2.gz FTDOZFUIJJVVNX-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(N[C@@H](CO)CCF)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000593861535 565363729 /nfs/dbraw/zinc/36/37/29/565363729.db2.gz GWSQOUJKERGOFI-MRVPVSSYSA-N 0 0 391.186 2.538 20 5 GFBDRN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000594381546 565383509 /nfs/dbraw/zinc/38/35/09/565383509.db2.gz MGXCWGRREDYBTH-NSHDSACASA-N 0 0 384.738 2.568 20 5 GFBDRN C[C@@H]1SCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000594752596 565414327 /nfs/dbraw/zinc/41/43/27/565414327.db2.gz DVFJMVYCALRBQN-SWLSCSKDSA-N 0 0 379.463 2.857 20 5 GFBDRN O=C1NCC[C@H]1CCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000594897485 565434864 /nfs/dbraw/zinc/43/48/64/565434864.db2.gz CZRBNUYKTIKZDK-VIFPVBQESA-N 0 0 380.198 2.811 20 5 GFBDRN CCS(=O)(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594993338 565439426 /nfs/dbraw/zinc/43/94/26/565439426.db2.gz OPJUODBTHNRROA-UHFFFAOYSA-N 0 0 381.479 2.775 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595394796 565473057 /nfs/dbraw/zinc/47/30/57/565473057.db2.gz IQMLIJKWXBJDGE-NSHDSACASA-N 0 0 382.360 2.554 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595415258 565475916 /nfs/dbraw/zinc/47/59/16/565475916.db2.gz KWVUZDOUIZPULZ-OQPBUACISA-N 0 0 384.788 2.681 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000595414891 565475950 /nfs/dbraw/zinc/47/59/50/565475950.db2.gz HLKLVISLEJGAPX-MEBBXXQBSA-N 0 0 378.397 2.645 20 5 GFBDRN CCn1nccc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000596061237 565512115 /nfs/dbraw/zinc/51/21/15/565512115.db2.gz HHXLXIQIYOTILR-UHFFFAOYSA-N 0 0 386.193 2.706 20 5 GFBDRN O=c1[nH]ccc(NC[C@H](CO)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000596211213 565515539 /nfs/dbraw/zinc/51/55/39/565515539.db2.gz TUTNTHDJXXWYGT-SNVBAGLBSA-N 0 0 382.214 2.721 20 5 GFBDRN CS(=O)(=O)N1CC[C@H](COc2ccc([N+](=O)[O-])cc2-c2cccs2)C1 ZINC000596248286 565517077 /nfs/dbraw/zinc/51/70/77/565517077.db2.gz WNFYGCRZSYENTB-LBPRGKRZSA-N 0 0 382.463 2.984 20 5 GFBDRN COC(=O)c1c(Cl)c(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596258246 565517565 /nfs/dbraw/zinc/51/75/65/565517565.db2.gz GZFTZLIVIAYSKG-KRTXAFLBSA-N 0 0 382.722 2.784 20 5 GFBDRN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000596468703 565525122 /nfs/dbraw/zinc/52/51/22/565525122.db2.gz GTEBRKSEMKWTID-WOFXILAISA-N 0 0 376.194 2.653 20 5 GFBDRN COCc1csc(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c1 ZINC000596473174 565525405 /nfs/dbraw/zinc/52/54/05/565525405.db2.gz NBIDCVIHLVIWOR-UHFFFAOYSA-N 0 0 385.467 2.665 20 5 GFBDRN COC(=O)C(C)(C)n1cc(Nc2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000596518927 565526034 /nfs/dbraw/zinc/52/60/34/565526034.db2.gz NEGPKNNIWDJCEK-UHFFFAOYSA-N 0 0 384.190 2.601 20 5 GFBDRN CCSC1(CNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000596509867 565526496 /nfs/dbraw/zinc/52/64/96/565526496.db2.gz JYNMMTTYMFXEDD-UHFFFAOYSA-N 0 0 379.223 2.714 20 5 GFBDRN Cc1c(Br)c(N2CCc3c(cccc3C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000596570558 565527395 /nfs/dbraw/zinc/52/73/95/565527395.db2.gz ZVVLVFRWOLGTTP-UHFFFAOYSA-N 0 0 391.225 2.722 20 5 GFBDRN CN(C[C@@H]1CC1(C)C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596562733 565527617 /nfs/dbraw/zinc/52/76/17/565527617.db2.gz PLNVBZUAESTZIZ-VIFPVBQESA-N 0 0 384.230 2.800 20 5 GFBDRN O=C([O-])C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000596658148 565531595 /nfs/dbraw/zinc/53/15/95/565531595.db2.gz YFHNLPQLAYITAB-UHFFFAOYSA-N 0 0 390.177 2.544 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000598195922 565601785 /nfs/dbraw/zinc/60/17/85/565601785.db2.gz WURDTWYBMSZLCO-CYBMUJFWSA-N 0 0 397.254 2.658 20 5 GFBDRN COC(=O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000598279673 565606393 /nfs/dbraw/zinc/60/63/93/565606393.db2.gz VYYMIBSKYDHGSW-SNVBAGLBSA-N 0 0 385.214 2.676 20 5 GFBDRN Cc1cncc(CCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000598306198 565608647 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382.825 2.745 20 5 GFBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000613256374 566190696 /nfs/dbraw/zinc/19/06/96/566190696.db2.gz WCORSERSHJUSCJ-GHMZBOCLSA-N 0 0 392.275 2.630 20 5 GFBDRN Cc1cnc(N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000822395254 599105114 /nfs/dbraw/zinc/10/51/14/599105114.db2.gz YNYPEKFLXXAWJD-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357170 599171715 /nfs/dbraw/zinc/17/17/15/599171715.db2.gz DVVXZSAHQDTVQE-AWEZNQCLSA-N 0 0 383.387 2.995 20 5 GFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)cc1OC ZINC000821399865 607295608 /nfs/dbraw/zinc/29/56/08/607295608.db2.gz CZXOTFBEFKSVLE-UHFFFAOYSA-N 0 0 398.379 2.743 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(-c2nn[nH]n2)c1 ZINC000738368237 598458169 /nfs/dbraw/zinc/45/81/69/598458169.db2.gz AZCPMENVFQRDFU-INIZCTEOSA-N 0 0 388.334 2.631 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359375 598467933 /nfs/dbraw/zinc/46/79/33/598467933.db2.gz PZFDYICWWYRACA-CQSZACIVSA-N 0 0 394.313 2.939 20 5 GFBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000736188147 598497881 /nfs/dbraw/zinc/49/78/81/598497881.db2.gz MITWRHXKHJJVOP-VIFPVBQESA-N 0 0 388.771 2.834 20 5 GFBDRN CN(c1ccccc1)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736842529 598627982 /nfs/dbraw/zinc/62/79/82/598627982.db2.gz CACRTWGSATZJMH-UHFFFAOYSA-N 0 0 379.424 2.880 20 5 GFBDRN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000737002176 598760910 /nfs/dbraw/zinc/76/09/10/598760910.db2.gz LGPKLZRRFFFYPW-UHFFFAOYSA-N 0 0 386.387 2.563 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000737262039 599386297 /nfs/dbraw/zinc/38/62/97/599386297.db2.gz BVAZHSDDIQFECK-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN COc1cc(CCNc2ccc(F)cc2-c2nn[nH]n2)c([N+](=O)[O-])cc1OC ZINC000821713303 599467269 /nfs/dbraw/zinc/46/72/69/599467269.db2.gz UKIGEVLNMQZIOV-UHFFFAOYSA-N 0 0 388.359 2.586 20 5 GFBDRN O=C(OCc1ccc(-c2nn[nH]n2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738232889 599500328 /nfs/dbraw/zinc/50/03/28/599500328.db2.gz WVKWYBKOYBUJSL-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN CSc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821979769 599542802 /nfs/dbraw/zinc/54/28/02/599542802.db2.gz WISMFSNAMPZYTK-SNVBAGLBSA-N 0 0 384.421 2.988 20 5 GFBDRN CCC(CC)(CCO)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820887764 599688365 /nfs/dbraw/zinc/68/83/65/599688365.db2.gz PSMJQTLKAZATIJ-UHFFFAOYSA-N 0 0 385.428 2.924 20 5 GFBDRN O=C([O-])/C=C/c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000739623537 600206627 /nfs/dbraw/zinc/20/66/27/600206627.db2.gz GCMUJFZDZDMKGQ-TXTHVTMNSA-N 0 0 375.425 2.605 20 5 GFBDRN CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000737368591 600206917 /nfs/dbraw/zinc/20/69/17/600206917.db2.gz UCMDGIJOOVIRKP-UHFFFAOYSA-N 0 0 387.392 2.510 20 5 GFBDRN Cc1c(CC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000826236449 607430589 /nfs/dbraw/zinc/43/05/89/607430589.db2.gz MPXKBJLKGZJSBB-UHFFFAOYSA-N 0 0 383.412 2.821 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826427829 607447365 /nfs/dbraw/zinc/44/73/65/607447365.db2.gz CEAKWFOWZWSQEN-UHFFFAOYSA-N 0 0 384.783 2.847 20 5 GFBDRN O=C([O-])/C=C/c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622870 600791924 /nfs/dbraw/zinc/79/19/24/600791924.db2.gz CQJJXWMDJHNJFY-WFNSPDMASA-N 0 0 397.431 2.742 20 5 GFBDRN C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000830851503 600904183 /nfs/dbraw/zinc/90/41/83/600904183.db2.gz AIBVDJKVWOTZIK-QGZVFWFLSA-N 0 0 383.404 2.640 20 5 GFBDRN C[C@@H](CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000827412097 601060956 /nfs/dbraw/zinc/06/09/56/601060956.db2.gz FUNPJTDQNYDQMB-AWEZNQCLSA-N 0 0 385.420 2.933 20 5 GFBDRN O=C([O-])c1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc([N+](=O)[O-])c1 ZINC000833298492 601332195 /nfs/dbraw/zinc/33/21/95/601332195.db2.gz WRPYQICXJJQJDC-UHFFFAOYSA-N 0 0 399.403 2.502 20 5 GFBDRN C[C@H]1CCCC[C@@]1(CNC(=O)[O-])[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739097076 602432674 /nfs/dbraw/zinc/43/26/74/602432674.db2.gz CSSIVLWIDIBXSA-SGTLLEGYSA-N 0 0 379.413 2.767 20 5 GFBDRN Cc1cc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826271728 607580047 /nfs/dbraw/zinc/58/00/47/607580047.db2.gz FBWNJCDCJRMLAO-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN COc1ccc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000826205719 607609651 /nfs/dbraw/zinc/60/96/51/607609651.db2.gz IZLXGBJFOQNOLB-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN CCOC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825544537 607760362 /nfs/dbraw/zinc/76/03/62/607760362.db2.gz BDQJMQPORIDGMO-UHFFFAOYSA-N 0 0 397.351 2.596 20 5 GFBDRN CCc1ccc(C(=O)OCCOc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821476040 606130975 /nfs/dbraw/zinc/13/09/75/606130975.db2.gz FERYRDWPWRHTIE-UHFFFAOYSA-N 0 0 383.364 2.573 20 5 GFBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820562980 606143493 /nfs/dbraw/zinc/14/34/93/606143493.db2.gz KVUWGIPMXYSZEW-DQQVXTMASA-N 0 0 386.437 2.710 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000822224046 606145367 /nfs/dbraw/zinc/14/53/67/606145367.db2.gz UEQNLZFILYQMCH-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2nccc(C=Cc3cc(-c4nn[nH]n4)cs3)[n+]2[O-])c1 ZINC000823644084 606306872 /nfs/dbraw/zinc/30/68/72/606306872.db2.gz FKEZBOHBCUDSHN-PLNGDYQASA-N 0 0 393.388 2.702 20 5 GFBDRN COc1ccc(CC(=O)O[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000821787699 606351921 /nfs/dbraw/zinc/35/19/21/606351921.db2.gz YHORQNRAKQCUDN-NSHDSACASA-N 0 0 383.364 2.630 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229175 606449179 /nfs/dbraw/zinc/44/91/79/606449179.db2.gz OGRSWIFWNIPEAP-ZDUSSCGKSA-N 0 0 380.408 2.893 20 5 GFBDRN Cc1cc(NC(=O)c2cc(-c3nn[nH]n3)cs2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000822208124 606487847 /nfs/dbraw/zinc/48/78/47/606487847.db2.gz BXVXCHKXQYTQQE-UHFFFAOYSA-N 0 0 396.392 2.583 20 5 GFBDRN NC(=O)c1ccc(CSc2ccc(Cl)cc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000822884875 606630825 /nfs/dbraw/zinc/63/08/25/606630825.db2.gz CFRRDCIBYLBXHT-UHFFFAOYSA-N 0 0 390.812 2.820 20 5 GFBDRN CCOCCOc1cc(C)ccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821384124 606720032 /nfs/dbraw/zinc/72/00/32/606720032.db2.gz QFXAKCIFAOQCLM-UHFFFAOYSA-N 0 0 399.411 2.506 20 5 GFBDRN CCc1nnc(NCc2cc([N+](=O)[O-])ccc2Cl)c(-c2nn[nH]n2)c1CC ZINC000821542094 606943121 /nfs/dbraw/zinc/94/31/21/606943121.db2.gz IYKHATYSOZERGL-UHFFFAOYSA-N 0 0 388.819 2.955 20 5 GFBDRN Cc1nn(CCCOc2cccc(-c3nn[nH]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500952 606984738 /nfs/dbraw/zinc/98/47/38/606984738.db2.gz OFEBENQIJOSIQH-UHFFFAOYSA-N 0 0 379.380 2.902 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822270950 607026298 /nfs/dbraw/zinc/02/62/98/607026298.db2.gz FISKRLCBGHVRIA-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1cccc(OCc2ccccn2)c1 ZINC000823625398 607168405 /nfs/dbraw/zinc/16/84/05/607168405.db2.gz UGBNTFCGHQJMJF-UHFFFAOYSA-N 0 0 390.363 2.888 20 5 GFBDRN CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000821594126 607189206 /nfs/dbraw/zinc/18/92/06/607189206.db2.gz ZSHUHYBQSYPUKT-UHFFFAOYSA-N 0 0 387.787 2.503 20 5 GFBDRN Cc1ccc(C)c(OC[C@H](O)COc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c1C ZINC000826285012 607876409 /nfs/dbraw/zinc/87/64/09/607876409.db2.gz NLDHJAPMVFXPRQ-AWEZNQCLSA-N 0 0 399.407 2.519 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nn[nH]n3)[n+]2[O-])c1 ZINC000826499365 607884432 /nfs/dbraw/zinc/88/44/32/607884432.db2.gz GCVZZXBOTKFILK-HJWRWDBZSA-N 0 0 387.359 2.641 20 5 GFBDRN CCOc1ccc(Cl)cc1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000825638797 607905485 /nfs/dbraw/zinc/90/54/85/607905485.db2.gz PBUHWSRYWQAHNM-UHFFFAOYSA-N 0 0 389.803 2.877 20 5 GFBDRN C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824489109 607939765 /nfs/dbraw/zinc/93/97/65/607939765.db2.gz IZQVSJNQHSVMHO-GFCCVEGCSA-N 0 0 393.407 2.604 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCOc2cccc(C(F)(F)F)n2)c(-c2nn[nH]n2)c1 ZINC000826499124 607967052 /nfs/dbraw/zinc/96/70/52/607967052.db2.gz WQRTUVDZMKSWIE-UHFFFAOYSA-N 0 0 395.301 2.680 20 5 GFBDRN CC(=O)c1ccc(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024450 608051655 /nfs/dbraw/zinc/05/16/55/608051655.db2.gz FNIXRIQKGAWIHA-GOSISDBHSA-N 0 0 394.391 2.555 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCCN1c1ccccc1F ZINC000826477952 608053358 /nfs/dbraw/zinc/05/33/58/608053358.db2.gz QCGJWBWSRMOZNT-OAHLLOKOSA-N 0 0 397.370 2.522 20 5 GFBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826464561 608104973 /nfs/dbraw/zinc/10/49/73/608104973.db2.gz CBEYXXIEESXVOT-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826422673 608121492 /nfs/dbraw/zinc/12/14/92/608121492.db2.gz HYBAUJWQEWYKPM-UHFFFAOYSA-N 0 0 378.392 2.509 20 5 GFBDRN Cc1cc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)ccc1F ZINC000826266669 608154084 /nfs/dbraw/zinc/15/40/84/608154084.db2.gz XHUFBSSQXYAQFE-QGZVFWFLSA-N 0 0 384.371 2.800 20 5 GFBDRN C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824928095 608161340 /nfs/dbraw/zinc/16/13/40/608161340.db2.gz RCXWTRVKUYDQCJ-GXSJLCMTSA-N 0 0 394.819 2.962 20 5 GFBDRN Cc1ncc(C=CC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329479 608163318 /nfs/dbraw/zinc/16/33/18/608163318.db2.gz FOVUFBJGEKCRBZ-IHWYPQMZSA-N 0 0 391.800 2.845 20 5 GFBDRN O=C(C=Cc1cncc(F)c1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826403070 608163756 /nfs/dbraw/zinc/16/37/56/608163756.db2.gz JDEUYOLXOABXQU-UPHRSURJSA-N 0 0 389.734 2.614 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1noc2c1CCCC2 ZINC000826451246 608164159 /nfs/dbraw/zinc/16/41/59/608164159.db2.gz XLIVLOWGHNPKOX-UHFFFAOYSA-N 0 0 389.759 2.547 20 5 GFBDRN CC(C)[C@H]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824213807 608242123 /nfs/dbraw/zinc/24/21/23/608242123.db2.gz CZNYFPRIVFGRLM-BDJLRTHQSA-N 0 0 383.412 2.939 20 5 GFBDRN Cc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1[N+](=O)[O-] ZINC000826288121 608854259 /nfs/dbraw/zinc/85/42/59/608854259.db2.gz RWEQGMBPWUZJPY-GOSISDBHSA-N 0 0 380.408 2.657 20 5 GFBDRN C[C@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770835 608864375 /nfs/dbraw/zinc/86/43/75/608864375.db2.gz NBAXAJDMCXCKHD-CYBMUJFWSA-N 0 0 397.414 2.797 20 5 GFBDRN Cc1nn(-c2ccccc2)cc1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826333241 609317015 /nfs/dbraw/zinc/31/70/15/609317015.db2.gz 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ZINC000840382703 661159164 /nfs/dbraw/zinc/15/91/64/661159164.db2.gz PEXBCOYBZQVOBK-UHFFFAOYSA-N 0 0 377.260 2.984 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCC[C@@H](CO)C1 ZINC000840387476 661159454 /nfs/dbraw/zinc/15/94/54/661159454.db2.gz WMBACYMQFMLLDO-ZJUUUORDSA-N 0 0 382.360 2.851 20 5 GFBDRN COC(=O)[C@@H]1CSCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000840389181 661159994 /nfs/dbraw/zinc/15/99/94/661159994.db2.gz LYUOIXUFZPATPD-VIFPVBQESA-N 0 0 375.244 2.700 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CSCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000729856568 655569404 /nfs/dbraw/zinc/56/94/04/655569404.db2.gz YUHUWQSZZKDDEI-UHFFFAOYSA-N 0 0 386.451 2.880 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000729987602 655570816 /nfs/dbraw/zinc/57/08/16/655570816.db2.gz MGWJXWWLHQSFBD-SSDOTTSWSA-N 0 0 376.163 2.865 20 5 GFBDRN NC(=O)[C@@H]1CCC[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)C1 ZINC000840485606 661164860 /nfs/dbraw/zinc/16/48/60/661164860.db2.gz VJANAGQSJCQQKL-NXEZZACHSA-N 0 0 385.214 2.692 20 5 GFBDRN COC(=O)c1sc(C)cc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000733320501 655612400 /nfs/dbraw/zinc/61/24/00/655612400.db2.gz OXKQJBKVGQHPLB-UHFFFAOYSA-N 0 0 387.391 2.528 20 5 GFBDRN CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCC(F)F ZINC000733416898 655614467 /nfs/dbraw/zinc/61/44/67/655614467.db2.gz QKFQTSHWSBDDAL-JTQLQIEISA-N 0 0 396.799 2.908 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840505968 661166667 /nfs/dbraw/zinc/16/66/67/661166667.db2.gz VLIAWDKHCUZPEN-RISCZKNCSA-N 0 0 392.209 2.700 20 5 GFBDRN CCc1ccc(OS(=O)(=O)c2ccc(CNC(C)=O)s2)c([N+](=O)[O-])c1 ZINC000734503465 655631839 /nfs/dbraw/zinc/63/18/39/655631839.db2.gz NUZKXKZJXYDOPW-UHFFFAOYSA-N 0 0 384.435 2.623 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000735790987 655653098 /nfs/dbraw/zinc/65/30/98/655653098.db2.gz HHINTFHJARZTAO-QMMMGPOBSA-N 0 0 383.817 2.964 20 5 GFBDRN Cc1cc(Cl)ccc1OC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000735875910 655654552 /nfs/dbraw/zinc/65/45/52/655654552.db2.gz JRYAFAFDAWLKTR-UHFFFAOYSA-N 0 0 384.797 2.732 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)OCCN(C)CC(F)(F)F)cc1SC ZINC000735903024 655654844 /nfs/dbraw/zinc/65/48/44/655654844.db2.gz ATLADRVGQFNKTK-UHFFFAOYSA-N 0 0 382.360 2.976 20 5 GFBDRN Cc1n[nH]c(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1Br ZINC000739812414 655694520 /nfs/dbraw/zinc/69/45/20/655694520.db2.gz DUTXPHBABYUISE-UHFFFAOYSA-N 0 0 396.245 2.929 20 5 GFBDRN C[C@H]1CCCCN1C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740421840 655697313 /nfs/dbraw/zinc/69/73/13/655697313.db2.gz HVOQYJJZVOYVLW-JTQLQIEISA-N 0 0 385.214 2.915 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000740871421 655700268 /nfs/dbraw/zinc/70/02/68/655700268.db2.gz UILCKNJMDLRRCS-NKWVEPMBSA-N 0 0 378.179 2.703 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000740871423 655700296 /nfs/dbraw/zinc/70/02/96/655700296.db2.gz UILCKNJMDLRRCS-RQJHMYQMSA-N 0 0 378.179 2.703 20 5 GFBDRN CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000742007112 655709396 /nfs/dbraw/zinc/70/93/96/655709396.db2.gz DFWOYIRFMHVOPG-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)Cc1cc(Br)ccc1F ZINC000743545141 655729787 /nfs/dbraw/zinc/72/97/87/655729787.db2.gz MTMVJXWFSKMWSG-UHFFFAOYSA-N 0 0 385.193 2.660 20 5 GFBDRN CC(C)N1C(=O)CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1(C)C ZINC000743835368 655732097 /nfs/dbraw/zinc/73/20/97/655732097.db2.gz YCMLPPHACCEDNL-UHFFFAOYSA-N 0 0 398.257 2.829 20 5 GFBDRN CS(=O)(=O)Cc1nc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000744475437 655740684 /nfs/dbraw/zinc/74/06/84/655740684.db2.gz IVIJSWVLTVLLIA-UHFFFAOYSA-N 0 0 390.826 2.606 20 5 GFBDRN Cc1ncc(Cl)c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000745376054 655750701 /nfs/dbraw/zinc/75/07/01/655750701.db2.gz LGTDZZAXHOWZSS-UHFFFAOYSA-N 0 0 385.163 2.796 20 5 GFBDRN CNS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000746061152 655758111 /nfs/dbraw/zinc/75/81/11/655758111.db2.gz OLBJULPKSKNEBE-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN CNS(=O)(=O)c1cccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000746059544 655758127 /nfs/dbraw/zinc/75/81/27/655758127.db2.gz PQWHNKQZTDWTFB-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)ccc1F ZINC000747253978 655775387 /nfs/dbraw/zinc/77/53/87/655775387.db2.gz OXMCOKCZNCMNLO-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1cnccn1 ZINC000747737546 655782738 /nfs/dbraw/zinc/78/27/38/655782738.db2.gz GEOJBCYFIUAXPQ-QMMMGPOBSA-N 0 0 399.144 2.907 20 5 GFBDRN CCOC(=O)c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000748053062 655786695 /nfs/dbraw/zinc/78/66/95/655786695.db2.gz IKNVLIQNMKEMEX-UHFFFAOYSA-N 0 0 375.742 2.786 20 5 GFBDRN Cc1noc(C)c1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000749866255 655808658 /nfs/dbraw/zinc/80/86/58/655808658.db2.gz KCBHPLSDTBRUFE-UHFFFAOYSA-N 0 0 390.215 2.787 20 5 GFBDRN CC(=O)c1ccc(OS(=O)(=O)c2cccc3nsnc32)c([N+](=O)[O-])c1 ZINC000749949006 655809407 /nfs/dbraw/zinc/80/94/07/655809407.db2.gz PCECTXNRFCFFBW-UHFFFAOYSA-N 0 0 379.375 2.570 20 5 GFBDRN CN(Cc1cccc(C(N)=O)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750820343 655817545 /nfs/dbraw/zinc/81/75/45/655817545.db2.gz PHNHGGZQZNGNEE-UHFFFAOYSA-N 0 0 392.209 2.728 20 5 GFBDRN O=C(COC(=O)[C@H]1CCCS1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000750895793 655818668 /nfs/dbraw/zinc/81/86/68/655818668.db2.gz LCJJQTSBUYFEEA-LLVKDONJSA-N 0 0 378.328 2.991 20 5 GFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(=O)NC(C)(C)C ZINC000751690224 655832590 /nfs/dbraw/zinc/83/25/90/655832590.db2.gz HPSNLUMRKPFCLV-ZETCQYMHSA-N 0 0 391.193 2.956 20 5 GFBDRN CN(CC1CC1)C(=O)COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751689839 655832637 /nfs/dbraw/zinc/83/26/37/655832637.db2.gz CFHOMPHLEWFEHL-UHFFFAOYSA-N 0 0 389.177 2.522 20 5 GFBDRN CCOC(=O)CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000753805574 655858981 /nfs/dbraw/zinc/85/89/81/655858981.db2.gz MRUCQAICVDMGGT-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000753816328 655859253 /nfs/dbraw/zinc/85/92/53/655859253.db2.gz UVBXREOTEKSOTR-IVCQMTBJSA-N 0 0 382.873 2.770 20 5 GFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccnc1I ZINC000754940623 655876624 /nfs/dbraw/zinc/87/66/24/655876624.db2.gz BDEIOUNXUCERGL-UHFFFAOYSA-N 0 0 384.129 2.951 20 5 GFBDRN CC(C)OC(=O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754976294 655877774 /nfs/dbraw/zinc/87/77/74/655877774.db2.gz GYJWJLYQGIAZOQ-UHFFFAOYSA-N 0 0 377.166 2.568 20 5 GFBDRN O=C(NCc1nc(C2CC2)no1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755029367 655878771 /nfs/dbraw/zinc/87/87/71/655878771.db2.gz SQGVELDVZUMBQR-UHFFFAOYSA-N 0 0 382.174 2.939 20 5 GFBDRN CN(C)c1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000755230217 655881288 /nfs/dbraw/zinc/88/12/88/655881288.db2.gz CHACOPHTUMJECC-UHFFFAOYSA-N 0 0 397.204 2.887 20 5 GFBDRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000755288226 655881995 /nfs/dbraw/zinc/88/19/95/655881995.db2.gz QTFFDWCDJUDHSP-SNVBAGLBSA-N 0 0 384.435 2.930 20 5 GFBDRN CCOc1cc(COC(=O)c2cc(S(C)(=O)=O)cs2)ccc1[N+](=O)[O-] ZINC000755548590 655885594 /nfs/dbraw/zinc/88/55/94/655885594.db2.gz HZJDABZPKQSAID-UHFFFAOYSA-N 0 0 385.419 2.816 20 5 GFBDRN CC[C@@H]1CO[C@H](C)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000756129494 655895401 /nfs/dbraw/zinc/89/54/01/655895401.db2.gz YXCPZUSDTMRGJR-NXEZZACHSA-N 0 0 382.360 2.892 20 5 GFBDRN C[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000757728808 655915774 /nfs/dbraw/zinc/91/57/74/655915774.db2.gz QQHXUTKYZUDHJE-QMMMGPOBSA-N 0 0 381.223 2.917 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)NCC1CCCC1 ZINC000757745450 655916048 /nfs/dbraw/zinc/91/60/48/655916048.db2.gz XBBLRJSBCMJHJN-UHFFFAOYSA-N 0 0 381.223 2.965 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000758493091 655934155 /nfs/dbraw/zinc/93/41/55/655934155.db2.gz GMVRWOIOQOIVBE-OSAQELSMSA-N 0 0 388.536 2.870 20 5 GFBDRN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)C=Cc1ccc(Br)cc1 ZINC000759168186 655949908 /nfs/dbraw/zinc/94/99/08/655949908.db2.gz MSMVQAPRKBMJPH-CLFYSBASSA-N 0 0 399.226 2.670 20 5 GFBDRN Cc1nnc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000759636647 655959932 /nfs/dbraw/zinc/95/99/32/655959932.db2.gz KRXLGONLLQEAKK-ZCFIWIBFSA-N 0 0 380.304 2.753 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC(CCO)CC1 ZINC000759691529 655961314 /nfs/dbraw/zinc/96/13/14/655961314.db2.gz FXWGDXAKWKMTNC-UHFFFAOYSA-N 0 0 375.194 2.731 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000762535112 656047387 /nfs/dbraw/zinc/04/73/87/656047387.db2.gz ZBEPERZYXZYWRJ-SECBINFHSA-N 0 0 387.849 2.838 20 5 GFBDRN Cc1c(Br)cc(C(=O)OC[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000762923635 656064384 /nfs/dbraw/zinc/06/43/84/656064384.db2.gz XVONQPPDNXLXKU-NSHDSACASA-N 0 0 376.203 2.608 20 5 GFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000763610969 656088026 /nfs/dbraw/zinc/08/80/26/656088026.db2.gz KITNXXKFMIGSCB-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN C[C@@H](OC(=O)c1cccc(Br)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763772087 656093324 /nfs/dbraw/zinc/09/33/24/656093324.db2.gz OLAFGMGJUWRLJT-SECBINFHSA-N 0 0 394.181 2.936 20 5 GFBDRN COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000763923242 656096504 /nfs/dbraw/zinc/09/65/04/656096504.db2.gz UDZAUFYZXZITFQ-CYBMUJFWSA-N 0 0 388.163 2.556 20 5 GFBDRN O=C(OC/C(Cl)=C\Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000763924473 656096803 /nfs/dbraw/zinc/09/68/03/656096803.db2.gz ZGEDKPGEEGXPDH-MOIHINDBSA-N 0 0 377.155 2.949 20 5 GFBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC/C(Cl)=C\Cl ZINC000763947597 656097215 /nfs/dbraw/zinc/09/72/15/656097215.db2.gz ZMXJGULHIOZPFF-ORZBULNSSA-N 0 0 397.236 2.902 20 5 GFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000764175613 656103850 /nfs/dbraw/zinc/10/38/50/656103850.db2.gz KWZLGFXBYULUPW-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)(F)F ZINC000765743736 656150010 /nfs/dbraw/zinc/15/00/10/656150010.db2.gz XWOSHYOHGSATOQ-GZMMTYOYSA-N 0 0 390.767 2.537 20 5 GFBDRN O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000766105941 656161884 /nfs/dbraw/zinc/16/18/84/656161884.db2.gz WJCDEXILPNHDFN-UHFFFAOYSA-N 0 0 385.214 2.821 20 5 GFBDRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])s1 ZINC000766563326 656176112 /nfs/dbraw/zinc/17/61/12/656176112.db2.gz IQDWDCOILHAZRW-MRVPVSSYSA-N 0 0 388.398 2.760 20 5 GFBDRN Cc1ccncc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000766568766 656176449 /nfs/dbraw/zinc/17/64/49/656176449.db2.gz LTRWMOWPQDDZNS-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN Cc1nn2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3F)cnc2c1Cl ZINC000766763685 656182576 /nfs/dbraw/zinc/18/25/76/656182576.db2.gz JIJXZCCNXVBZLF-UHFFFAOYSA-N 0 0 386.748 2.506 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(NCc2cccnn2)cc1[N+](=O)[O-] ZINC000767395645 656201461 /nfs/dbraw/zinc/20/14/61/656201461.db2.gz HFTBCOUUIRFQCO-UHFFFAOYSA-N 0 0 384.146 2.676 20 5 GFBDRN Cc1[nH]nc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)c1Br ZINC000768617959 656244935 /nfs/dbraw/zinc/24/49/35/656244935.db2.gz MBFSKZOKGMSRCG-UHFFFAOYSA-N 0 0 381.142 2.887 20 5 GFBDRN COc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000768792876 656251556 /nfs/dbraw/zinc/25/15/56/656251556.db2.gz FUTQCBBVPWEDLT-UHFFFAOYSA-N 0 0 394.377 2.745 20 5 GFBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834056 656254291 /nfs/dbraw/zinc/25/42/91/656254291.db2.gz LCIVTBBDUXXWJL-JTQLQIEISA-N 0 0 384.435 2.685 20 5 GFBDRN O=C1CCCN1c1ccc(F)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883680 656258463 /nfs/dbraw/zinc/25/84/63/656258463.db2.gz UYJXUXLQDUBHEN-UHFFFAOYSA-N 0 0 385.398 2.723 20 5 GFBDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769423986 656275832 /nfs/dbraw/zinc/27/58/32/656275832.db2.gz IDLDPFZJVDSCHP-ZJUUUORDSA-N 0 0 379.276 2.611 20 5 GFBDRN Cc1ccc(Br)nc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769600374 656281662 /nfs/dbraw/zinc/28/16/62/656281662.db2.gz FXKDGJZRNQCUEZ-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN COC(=O)C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769898078 656298382 /nfs/dbraw/zinc/29/83/82/656298382.db2.gz OEAJTGJMSUWAST-UHFFFAOYSA-N 0 0 390.845 2.567 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CC1(C)OCCO1 ZINC000769906464 656299545 /nfs/dbraw/zinc/29/95/45/656299545.db2.gz IIHOBIHVZJHWRB-JTQLQIEISA-N 0 0 392.861 2.624 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000769910304 656300090 /nfs/dbraw/zinc/30/00/90/656300090.db2.gz XYIMZCSKKLFSDU-JTQLQIEISA-N 0 0 390.845 2.709 20 5 GFBDRN O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000770155895 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2.771 20 5 GFBDRN CNC(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284456195 563475659 /nfs/dbraw/zinc/47/56/59/563475659.db2.gz WDFCBOXDHTUKEQ-UHFFFAOYSA-N 0 0 398.257 2.654 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000284696018 563486552 /nfs/dbraw/zinc/48/65/52/563486552.db2.gz CVPRMURDQHOEEG-SKDRFNHKSA-N 0 0 387.230 2.590 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC000377840923 563487884 /nfs/dbraw/zinc/48/78/84/563487884.db2.gz WZUWTTBLSFDCCY-RNCFNFMXSA-N 0 0 378.809 2.577 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H](CO)C2)c(Cl)cc1Cl ZINC000377850596 563488454 /nfs/dbraw/zinc/48/84/54/563488454.db2.gz FVUBDHBWPKUIPT-VIFPVBQESA-N 0 0 383.253 2.685 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H](CO)C2)c(Cl)cc1Cl ZINC000377850595 563488615 /nfs/dbraw/zinc/48/86/15/563488615.db2.gz FVUBDHBWPKUIPT-SECBINFHSA-N 0 0 383.253 2.685 20 5 GFBDRN CCNC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCC1 ZINC000284854573 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CC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000287777851 563617624 /nfs/dbraw/zinc/61/76/24/563617624.db2.gz IHKQNUJVHXDBOZ-OPCGMJAISA-N 0 0 376.837 2.688 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[S@](C)=O ZINC000287871239 563621072 /nfs/dbraw/zinc/62/10/72/563621072.db2.gz DECSVBHGKMJYGK-ZEDNOMKYSA-N 0 0 377.260 2.553 20 5 GFBDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000411680043 563629719 /nfs/dbraw/zinc/62/97/19/563629719.db2.gz UMLPZBYNXLOXMF-SWLSCSKDSA-N 0 0 384.230 2.847 20 5 GFBDRN CNC(=O)[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C(C)C ZINC000434959787 563640646 /nfs/dbraw/zinc/64/06/46/563640646.db2.gz NZILHGGFLXUPFQ-ZDUSSCGKSA-N 0 0 381.230 2.510 20 5 GFBDRN CC(C)[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1nncn1C ZINC000288809472 563658182 /nfs/dbraw/zinc/65/81/82/563658182.db2.gz LIOPDAFJTFPOCH-GFCCVEGCSA-N 0 0 382.218 2.613 20 5 GFBDRN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nncn1C ZINC000288924783 563662145 /nfs/dbraw/zinc/66/21/45/563662145.db2.gz VELXGAZQRGIQAO-LBPRGKRZSA-N 0 0 382.218 2.613 20 5 GFBDRN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289024890 563665221 /nfs/dbraw/zinc/66/52/21/563665221.db2.gz CSTFLNFQESXTGO-SCZZXKLOSA-N 0 0 383.253 2.826 20 5 GFBDRN CC(C)S(=O)(=O)CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000289074418 563667311 /nfs/dbraw/zinc/66/73/11/563667311.db2.gz NRESFGHBTNOOHK-UHFFFAOYSA-N 0 0 385.320 2.757 20 5 GFBDRN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000436394657 563669953 /nfs/dbraw/zinc/66/99/53/563669953.db2.gz WSQVPGFYIWYXQQ-QMMMGPOBSA-N 0 0 388.247 2.676 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](n3ncc4ccccc43)C2)s1 ZINC000360721655 563694412 /nfs/dbraw/zinc/69/44/12/563694412.db2.gz RDSQBAHGSLPCAA-LBPRGKRZSA-N 0 0 378.435 2.642 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(n3cccn3)CC2)c1 ZINC000361101609 563696673 /nfs/dbraw/zinc/69/66/73/563696673.db2.gz BWEQKTRTNHCGDZ-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000363355006 563720527 /nfs/dbraw/zinc/72/05/27/563720527.db2.gz GUKNIXUTCSDOIL-CQSZACIVSA-N 0 0 381.230 2.664 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](O)c2ccccc2C1 ZINC000363675322 563730204 /nfs/dbraw/zinc/73/02/04/563730204.db2.gz ODMGXAFWLRJGBM-OAHLLOKOSA-N 0 0 382.825 2.876 20 5 GFBDRN CO[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000363667354 563730216 /nfs/dbraw/zinc/73/02/16/563730216.db2.gz XXOVZPHILBBTGO-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccncc2OCC(F)F)s1 ZINC000440662920 563746957 /nfs/dbraw/zinc/74/69/57/563746957.db2.gz UBGVIVJVALSBAA-UHFFFAOYSA-N 0 0 393.393 2.711 20 5 GFBDRN COCCn1cc2c(n1)[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])CCC2 ZINC000364638444 563760231 /nfs/dbraw/zinc/76/02/31/563760231.db2.gz QPYSIZOPYVUPDG-LBPRGKRZSA-N 0 0 396.245 2.507 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000291946221 563766283 /nfs/dbraw/zinc/76/62/83/563766283.db2.gz CHALIUZVNKWCOD-SNVBAGLBSA-N 0 0 386.235 2.986 20 5 GFBDRN Cc1cc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000291978959 563767744 /nfs/dbraw/zinc/76/77/44/563767744.db2.gz WWEIRCAETITLKL-SNVBAGLBSA-N 0 0 377.260 2.537 20 5 GFBDRN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000292033918 563770631 /nfs/dbraw/zinc/77/06/31/563770631.db2.gz LBMHOCRCPZZYQM-QMMMGPOBSA-N 0 0 395.264 2.939 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@H]2CCCc3nc(C)sc32)cc1[N+](=O)[O-] ZINC000365015916 563771394 /nfs/dbraw/zinc/77/13/94/563771394.db2.gz RWVQSFXFFRCGLK-LBPRGKRZSA-N 0 0 383.451 2.724 20 5 GFBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)cn1 ZINC000365247450 563778814 /nfs/dbraw/zinc/77/88/14/563778814.db2.gz RYMXCGONZREXAZ-NSHDSACASA-N 0 0 393.241 2.796 20 5 GFBDRN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365409058 563782373 /nfs/dbraw/zinc/78/23/73/563782373.db2.gz FXMTXSBRDAWJIN-MRVPVSSYSA-N 0 0 375.332 2.744 20 5 GFBDRN CC[C@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000365414434 563782505 /nfs/dbraw/zinc/78/25/05/563782505.db2.gz IEKPCMVNUBCHOP-LRDDRELGSA-N 0 0 399.241 2.767 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000365739760 563792256 /nfs/dbraw/zinc/79/22/56/563792256.db2.gz VVWHGGAAYDGSLH-UHFFFAOYSA-N 0 0 386.495 2.746 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000366124970 563799956 /nfs/dbraw/zinc/79/99/56/563799956.db2.gz JWGOSUWHAZZOBZ-UHFFFAOYSA-N 0 0 388.373 2.658 20 5 GFBDRN COCCCOc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000443768314 563811809 /nfs/dbraw/zinc/81/18/09/563811809.db2.gz DEUYAMBVEYYVGF-UHFFFAOYSA-N 0 0 386.451 2.550 20 5 GFBDRN COC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416383520 563821456 /nfs/dbraw/zinc/82/14/56/563821456.db2.gz CHNNLYJUMALYLF-SNVBAGLBSA-N 0 0 382.360 2.661 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000416393208 563822391 /nfs/dbraw/zinc/82/23/91/563822391.db2.gz SJKCGNXSWFRIMF-CMPLNLGQSA-N 0 0 380.344 2.556 20 5 GFBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000293817655 563824633 /nfs/dbraw/zinc/82/46/33/563824633.db2.gz FAKNRXMXEILVRV-LLVKDONJSA-N 0 0 379.214 2.785 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCN(c3cccs3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416427794 563828062 /nfs/dbraw/zinc/82/80/62/563828062.db2.gz RGPUGMVEBIQNBX-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000367055754 563828888 /nfs/dbraw/zinc/82/88/88/563828888.db2.gz SNETZINEFGKIIK-GJZGRUSLSA-N 0 0 399.241 2.686 20 5 GFBDRN CC(C)(CCCO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416449760 563829965 /nfs/dbraw/zinc/82/99/65/563829965.db2.gz KERKQPJUQIOZIO-UHFFFAOYSA-N 0 0 384.376 2.691 20 5 GFBDRN CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455217 563830817 /nfs/dbraw/zinc/83/08/17/563830817.db2.gz KDIPOEGOOQNNTP-SKDRFNHKSA-N 0 0 382.360 2.707 20 5 GFBDRN CCn1cc(Br)cc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444641493 563834929 /nfs/dbraw/zinc/83/49/29/563834929.db2.gz VEZRGTFPCMUAQK-UHFFFAOYSA-N 0 0 392.213 2.985 20 5 GFBDRN C[C@@H]1COCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490021 563838177 /nfs/dbraw/zinc/83/81/77/563838177.db2.gz TWZUXYUJQDWHHU-ZJUUUORDSA-N 0 0 382.360 2.565 20 5 GFBDRN CC(C)(O)C(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416496931 563839255 /nfs/dbraw/zinc/83/92/55/563839255.db2.gz RJQGDNZMBSTYIK-UHFFFAOYSA-N 0 0 384.376 2.689 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000294353603 563839695 /nfs/dbraw/zinc/83/96/95/563839695.db2.gz ZNBGVPHOGSRUEK-LSDHHAIUSA-N 0 0 390.820 2.719 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000367543820 563847968 /nfs/dbraw/zinc/84/79/68/563847968.db2.gz GFVLWDDWFQVGOC-BXKDBHETSA-N 0 0 378.809 2.577 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000445733718 563853235 /nfs/dbraw/zinc/85/32/35/563853235.db2.gz LPTOGNQDCMXPFI-BBBLOLIVSA-N 0 0 393.259 2.544 20 5 GFBDRN CC(C)OCC(C)(C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416627891 563855123 /nfs/dbraw/zinc/85/51/23/563855123.db2.gz VYNJJWZUOWGOJD-UHFFFAOYSA-N 0 0 395.275 2.839 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000416639905 563856429 /nfs/dbraw/zinc/85/64/29/563856429.db2.gz BLZLVVJUNSTLFO-UHFFFAOYSA-N 0 0 382.360 2.635 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000368255256 563867432 /nfs/dbraw/zinc/86/74/32/563867432.db2.gz SNAVQADMZAABBT-VIFPVBQESA-N 0 0 385.243 2.979 20 5 GFBDRN CN(CCC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447024261 563872538 /nfs/dbraw/zinc/87/25/38/563872538.db2.gz VPUGMUXWOWZOCM-UHFFFAOYSA-N 0 0 391.165 2.930 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000447352083 563880411 /nfs/dbraw/zinc/88/04/11/563880411.db2.gz WOJMUNCHXCNFHU-SECBINFHSA-N 0 0 392.209 2.978 20 5 GFBDRN Cn1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369351623 563892919 /nfs/dbraw/zinc/89/29/19/563892919.db2.gz FPFLYHIANWUTBU-NSHDSACASA-N 0 0 384.845 2.550 20 5 GFBDRN O=C(N=c1ccn(CC(F)(F)F)[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448395811 563896617 /nfs/dbraw/zinc/89/66/17/563896617.db2.gz GJOGUONLZZXMAC-UHFFFAOYSA-N 0 0 393.119 2.790 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449528254 564190070 /nfs/dbraw/zinc/19/00/70/564190070.db2.gz OECTZGAIRFEUOR-ZDUSSCGKSA-N 0 0 378.397 2.595 20 5 GFBDRN COC(=O)c1ccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000538742674 564199344 /nfs/dbraw/zinc/19/93/44/564199344.db2.gz KWMNOIGQUXZJRD-UHFFFAOYSA-N 0 0 384.435 2.501 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000539354398 564216571 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COC(=O)COc1ccc(CNc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000473479235 564248155 /nfs/dbraw/zinc/24/81/55/564248155.db2.gz IYWWHBMSAUVUCN-UHFFFAOYSA-N 0 0 396.197 2.916 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000450839445 564250360 /nfs/dbraw/zinc/25/03/60/564250360.db2.gz CFBMPTYHLMQZBJ-QMMMGPOBSA-N 0 0 390.234 2.638 20 5 GFBDRN C[C@@H]1[C@@H](C)CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000565116591 564266443 /nfs/dbraw/zinc/26/64/43/564266443.db2.gz GGKQNAKUFPSIGB-VHSXEESVSA-N 0 0 384.230 2.943 20 5 GFBDRN O=c1c(I)cc(F)cn1Cc1ccc([N+](=O)[O-])cc1F ZINC000541284802 564272257 /nfs/dbraw/zinc/27/22/57/564272257.db2.gz AWMBRORTNKITIR-UHFFFAOYSA-N 0 0 392.099 2.688 20 5 GFBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccc(F)cc1 ZINC000474363902 564276025 /nfs/dbraw/zinc/27/60/25/564276025.db2.gz RUXDFXQTQCLNRK-VIFPVBQESA-N 0 0 398.188 2.536 20 5 GFBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000541389625 564277558 /nfs/dbraw/zinc/27/75/58/564277558.db2.gz RRRNGZZWLLGEJO-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN CC[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000565389219 564278770 /nfs/dbraw/zinc/27/87/70/564278770.db2.gz BCBPMLZVRHOTND-CYBMUJFWSA-N 0 0 376.194 2.810 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Br)c(Cl)c1Cl ZINC000541631209 564285349 /nfs/dbraw/zinc/28/53/49/564285349.db2.gz BAANJJDZFIBWCD-UHFFFAOYSA-N 0 0 395.000 2.894 20 5 GFBDRN COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000565846372 564298942 /nfs/dbraw/zinc/29/89/42/564298942.db2.gz UIBMIWBISPAPMZ-VHSXEESVSA-N 0 0 385.214 2.737 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465777 564300444 /nfs/dbraw/zinc/30/04/44/564300444.db2.gz TZVBJDZLNBTHKD-AAEUAGOBSA-N 0 0 395.257 2.534 20 5 GFBDRN COC(=O)c1ccc(F)c(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000542218295 564305108 /nfs/dbraw/zinc/30/51/08/564305108.db2.gz HSGUSOQEPJTGPZ-UHFFFAOYSA-N 0 0 399.172 2.801 20 5 GFBDRN CCOc1ccncc1S(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451379457 564306353 /nfs/dbraw/zinc/30/63/53/564306353.db2.gz VHTVSAZHRVDSHO-UHFFFAOYSA-N 0 0 385.829 2.563 20 5 GFBDRN CCN(CCOc1ccc(Br)cc1)Cc1c([N+](=O)[O-])ncn1C ZINC000475352166 564306467 /nfs/dbraw/zinc/30/64/67/564306467.db2.gz SNTNEWNEDQALPD-UHFFFAOYSA-N 0 0 383.246 2.992 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000509761097 564311902 /nfs/dbraw/zinc/31/19/02/564311902.db2.gz IHCSPXOFJACLTE-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN Cc1c(Br)c(NCc2ccnc(-n3cccn3)c2)ncc1[N+](=O)[O-] ZINC000542521543 564317311 /nfs/dbraw/zinc/31/73/11/564317311.db2.gz UWEBGWKVBIANND-UHFFFAOYSA-N 0 0 389.213 2.675 20 5 GFBDRN C[C@H]1OCCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000566530692 564330794 /nfs/dbraw/zinc/33/07/94/564330794.db2.gz FPFNTKGSQZLDCM-VHSXEESVSA-N 0 0 376.194 2.809 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000476399485 564338152 /nfs/dbraw/zinc/33/81/52/564338152.db2.gz XXNDECFTUVDBDK-UHFFFAOYSA-N 0 0 393.241 2.943 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N(C)[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000543148179 564340190 /nfs/dbraw/zinc/34/01/90/564340190.db2.gz IYWFFEKBUNHVGH-JTQLQIEISA-N 0 0 388.262 2.720 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000476494939 564341580 /nfs/dbraw/zinc/34/15/80/564341580.db2.gz YDTNSWBKKCUXIA-UHFFFAOYSA-N 0 0 380.817 2.971 20 5 GFBDRN COCCOc1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cn1 ZINC000543450851 564351616 /nfs/dbraw/zinc/35/16/16/564351616.db2.gz BGBOYNOOXVBZJI-UHFFFAOYSA-N 0 0 397.229 2.515 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOc3cccc(F)c3C2)c(Cl)c1 ZINC000511214004 564362254 /nfs/dbraw/zinc/36/22/54/564362254.db2.gz OBHFNVPKYKDETQ-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1csc(Br)c1 ZINC000543902706 564368931 /nfs/dbraw/zinc/36/89/31/564368931.db2.gz SXYLEVHHVWVRIU-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000451968887 564373894 /nfs/dbraw/zinc/37/38/94/564373894.db2.gz VAWXWJCCWGZENY-GWCFXTLKSA-N 0 0 386.426 2.994 20 5 GFBDRN CC1(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000451996480 564378688 /nfs/dbraw/zinc/37/86/88/564378688.db2.gz QDOUELKWCXFHII-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN C[C@](CO)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000477805107 564388386 /nfs/dbraw/zinc/38/83/86/564388386.db2.gz WZDJRFLGDSOTMB-MRXNPFEDSA-N 0 0 384.479 2.713 20 5 GFBDRN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(Br)cn1 ZINC000477803367 564388420 /nfs/dbraw/zinc/38/84/20/564388420.db2.gz VJUDMQAVQUUKCG-ZETCQYMHSA-N 0 0 383.177 2.965 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452091965 564391041 /nfs/dbraw/zinc/39/10/41/564391041.db2.gz CNXPRWYSQNHBBY-JOYOIKCWSA-N 0 0 395.264 2.947 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(Cc3ccc(Br)cc3)no2)c1 ZINC000544929927 564404416 /nfs/dbraw/zinc/40/44/16/564404416.db2.gz XXEHHVSFASNHRG-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(CCn3ccnc3)n2)c(Br)c1 ZINC000545006810 564406985 /nfs/dbraw/zinc/40/69/85/564406985.db2.gz FWMBGKKHQYOCQA-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN CO[C@H](c1noc(Cn2ccc([N+](=O)[O-])n2)n1)c1ccc(Br)cc1 ZINC000545102700 564408632 /nfs/dbraw/zinc/40/86/32/564408632.db2.gz OMALQFJEAIEQLV-ZDUSSCGKSA-N 0 0 394.185 2.721 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000478885148 564417389 /nfs/dbraw/zinc/41/73/89/564417389.db2.gz QYKITLXGNOIBHD-KOLCDFICSA-N 0 0 382.360 2.955 20 5 GFBDRN CCc1ccc(C(=O)NCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000568550193 564424220 /nfs/dbraw/zinc/42/42/20/564424220.db2.gz DNEJVXYDNXATII-UHFFFAOYSA-N 0 0 381.230 2.936 20 5 GFBDRN CCOC(=O)CCCOc1ccc(I)cc1[N+](=O)[O-] ZINC000479194220 564430013 /nfs/dbraw/zinc/43/00/13/564430013.db2.gz XDONUTZSJHBJDR-UHFFFAOYSA-N 0 0 379.150 2.922 20 5 GFBDRN Nc1nccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000568897996 564439859 /nfs/dbraw/zinc/43/98/59/564439859.db2.gz AWLRJYDSTKIRIU-NSHDSACASA-N 0 0 391.225 2.795 20 5 GFBDRN COC(=O)c1csc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000546088911 564443572 /nfs/dbraw/zinc/44/35/72/564443572.db2.gz WEEKASJLFSBQFE-UHFFFAOYSA-N 0 0 382.419 2.584 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCCOc2ncc(C(F)(F)F)cc2Cl)nc1 ZINC000546179274 564448544 /nfs/dbraw/zinc/44/85/44/564448544.db2.gz BFMMGJYPQGOMOB-UHFFFAOYSA-N 0 0 377.710 2.755 20 5 GFBDRN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000569301130 564457083 /nfs/dbraw/zinc/45/70/83/564457083.db2.gz DSRSVLOZOCVZOF-CABCVRRESA-N 0 0 384.219 2.970 20 5 GFBDRN O=[N+]([O-])c1ccn(Cc2nc(Cc3ccc(Br)c(F)c3)no2)n1 ZINC000546560176 564459190 /nfs/dbraw/zinc/45/91/90/564459190.db2.gz IOESCMCHPQENCG-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1COc2ccc(F)cc2C1 ZINC000569526175 564467933 /nfs/dbraw/zinc/46/79/33/564467933.db2.gz URUOPUSAGAOAFO-LLVKDONJSA-N 0 0 386.788 2.669 20 5 GFBDRN CCOC(=O)C[C@H]1C[C@H](OC)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000480498416 564475883 /nfs/dbraw/zinc/47/58/83/564475883.db2.gz WNBCAAZHWQNQAG-NEPJUHHUSA-N 0 0 387.230 2.904 20 5 GFBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCn1cc(Br)cn1 ZINC000480504174 564476090 /nfs/dbraw/zinc/47/60/90/564476090.db2.gz GSCLKVFNJCYVKQ-UHFFFAOYSA-N 0 0 396.245 2.806 20 5 GFBDRN O=[N+]([O-])c1cccc(OCc2nc(Cn3cc(Br)cn3)no2)c1 ZINC000547158061 564478474 /nfs/dbraw/zinc/47/84/74/564478474.db2.gz RYYMUNVHSBRRRG-UHFFFAOYSA-N 0 0 380.158 2.564 20 5 GFBDRN CCCN([C@@H](CC)C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480873826 564493083 /nfs/dbraw/zinc/49/30/83/564493083.db2.gz DQQWWHXMQKYBQQ-LBPRGKRZSA-N 0 0 392.861 2.991 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC[C@@H]2C[C@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000454067848 564496306 /nfs/dbraw/zinc/49/63/06/564496306.db2.gz SJBWJDNCXALJQD-JQWIXIFHSA-N 0 0 396.241 2.767 20 5 GFBDRN CC1(CC(F)(F)F)CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454088137 564497367 /nfs/dbraw/zinc/49/73/67/564497367.db2.gz FMROJPOXUGMILL-UHFFFAOYSA-N 0 0 379.722 2.988 20 5 GFBDRN Nc1nc2c(s1)C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000516806139 564512549 /nfs/dbraw/zinc/51/25/49/564512549.db2.gz NRJQFFMGPNRJCE-VIFPVBQESA-N 0 0 398.897 2.883 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000571098125 564535568 /nfs/dbraw/zinc/53/55/68/564535568.db2.gz ISPVCDHTBUXTSR-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN Cc1nc(CN(C)Cc2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000571272315 564543551 /nfs/dbraw/zinc/54/35/51/564543551.db2.gz AGKWCPZEGLUBLU-UHFFFAOYSA-N 0 0 388.165 2.523 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000482536216 564544612 /nfs/dbraw/zinc/54/46/12/564544612.db2.gz XZTRZPFSKHDDDG-GFCCVEGCSA-N 0 0 383.191 2.765 20 5 GFBDRN CC(C)(C(=O)NCc1ccc(F)cc1Br)n1cc([N+](=O)[O-])cn1 ZINC000548294040 564547534 /nfs/dbraw/zinc/54/75/34/564547534.db2.gz NORDLAUSGDDADF-UHFFFAOYSA-N 0 0 385.193 2.744 20 5 GFBDRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571376974 564548037 /nfs/dbraw/zinc/54/80/37/564548037.db2.gz WTWARPJGFZDMAZ-CYBMUJFWSA-N 0 0 385.829 2.651 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000455395589 564552668 /nfs/dbraw/zinc/55/26/68/564552668.db2.gz BIIFXTKFECBYBR-DGCLKSJQSA-N 0 0 397.229 2.632 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])o1)N(CCO)Cc1ccc(Br)s1 ZINC000483000870 564556585 /nfs/dbraw/zinc/55/65/85/564556585.db2.gz YGXLTQOCAKMEAY-UHFFFAOYSA-N 0 0 375.200 2.647 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC(O)(C(F)F)CC1 ZINC000548613993 564567294 /nfs/dbraw/zinc/56/72/94/564567294.db2.gz OYYXWXHAAPLFJK-UHFFFAOYSA-N 0 0 398.147 2.796 20 5 GFBDRN COc1cc(NC(=O)Nc2ccncc2[N+](=O)[O-])cc(OC)c1Br ZINC000519020683 564567669 /nfs/dbraw/zinc/56/76/69/564567669.db2.gz PRMOUTUXYZMONZ-UHFFFAOYSA-N 0 0 397.185 2.835 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000456015851 564584503 /nfs/dbraw/zinc/58/45/03/564584503.db2.gz AJBALEDYNOCQFN-JTQLQIEISA-N 0 0 376.381 2.554 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)(F)F)O1 ZINC000549511935 564595906 /nfs/dbraw/zinc/59/59/06/564595906.db2.gz BYYJAARXKDTFCG-CYBMUJFWSA-N 0 0 382.360 2.715 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000456412147 564606789 /nfs/dbraw/zinc/60/67/89/564606789.db2.gz ZHVZMOZJDNEDKP-JPQMIFPKSA-N 0 0 388.873 2.775 20 5 GFBDRN CNc1nccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000520606364 564608636 /nfs/dbraw/zinc/60/86/36/564608636.db2.gz PFVVXFCSUXNVTR-UHFFFAOYSA-N 0 0 381.219 2.959 20 5 GFBDRN CCO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])cc2Br)n1 ZINC000485159134 564609359 /nfs/dbraw/zinc/60/93/59/564609359.db2.gz KNXQYGLMTNHCPS-QMMMGPOBSA-N 0 0 386.206 2.869 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1cccc(Br)c1F ZINC000572757014 564609498 /nfs/dbraw/zinc/60/94/98/564609498.db2.gz LMRPOLXOBCAXBY-UHFFFAOYSA-N 0 0 390.190 2.717 20 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564658565 /nfs/dbraw/zinc/65/85/65/564658565.db2.gz KTPQFLOPHXQLEH-ZANVPECISA-N 0 0 394.280 2.616 20 5 GFBDRN COc1ccc(OC)c(-n2nnnc2SCc2csc([N+](=O)[O-])c2)c1 ZINC000523226710 564663155 /nfs/dbraw/zinc/66/31/55/564663155.db2.gz ZGGCPDXOJKGINR-UHFFFAOYSA-N 0 0 379.423 2.942 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000523326935 564664763 /nfs/dbraw/zinc/66/47/63/564664763.db2.gz FTKMZCPPMGXHFT-ZDUSSCGKSA-N 0 0 383.495 2.748 20 5 GFBDRN CN(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000574047323 564666006 /nfs/dbraw/zinc/66/60/06/564666006.db2.gz WVOGUKKJJBALMJ-MRXNPFEDSA-N 0 0 383.857 2.829 20 5 GFBDRN CSC[C@@](C)(O)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000486968966 564671654 /nfs/dbraw/zinc/67/16/54/564671654.db2.gz POKWHTOBMDDVKX-AWEZNQCLSA-N 0 0 386.271 2.853 20 5 GFBDRN CC(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132539 564677329 /nfs/dbraw/zinc/67/73/29/564677329.db2.gz IIGOPISPOQHALD-XHDPSFHLSA-N 0 0 376.862 2.978 20 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OSGJQEOMVFENKE-NSHDSACASA-N 0 0 391.391 2.676 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824739627 608043783 /nfs/dbraw/zinc/04/37/83/608043783.db2.gz YOTVJRMOGHJHFP-SECBINFHSA-N 0 0 388.771 2.834 20 5 GFBDRN Cc1nn(CN(C)Cc2cccc(-c3nn[nH]n3)c2)c2cc([N+](=O)[O-])ccc12 ZINC000826334820 608054308 /nfs/dbraw/zinc/05/43/08/608054308.db2.gz KZZXKVCPSNLWRY-UHFFFAOYSA-N 0 0 378.396 2.523 20 5 GFBDRN CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000825793336 608175985 /nfs/dbraw/zinc/17/59/85/608175985.db2.gz QUPAUPHRMOZOGB-UHFFFAOYSA-N 0 0 392.379 2.705 20 5 GFBDRN C[C@H](O)c1ccc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000824708523 608373395 /nfs/dbraw/zinc/37/33/95/608373395.db2.gz YDFLSKABLPOOJH-NSHDSACASA-N 0 0 391.391 2.989 20 5 GFBDRN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473249 608478298 /nfs/dbraw/zinc/47/82/98/608478298.db2.gz QAKSOOFHVGCIAP-UHFFFAOYSA-N 0 0 394.366 2.844 20 5 GFBDRN 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20 5 GFBDRN CC(C)(CCC(=O)Nc1cc(I)ccc1O)[N+](=O)[O-] ZINC000825765599 660441158 /nfs/dbraw/zinc/44/11/58/660441158.db2.gz YTXYDNIIYVUCOC-UHFFFAOYSA-N 0 0 378.166 2.771 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000827548573 660501589 /nfs/dbraw/zinc/50/15/89/660501589.db2.gz FISNZIFJOXOFIW-UHFFFAOYSA-N 0 0 375.244 2.830 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000827785656 660514958 /nfs/dbraw/zinc/51/49/58/660514958.db2.gz GFSRQWNZQHKMET-MFKMUULPSA-N 0 0 392.836 2.967 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000827787014 660514977 /nfs/dbraw/zinc/51/49/77/660514977.db2.gz OPYDHCWAXSDUHV-ZWNOBZJWSA-N 0 0 392.836 2.967 20 5 GFBDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000827799342 660516425 /nfs/dbraw/zinc/51/64/25/660516425.db2.gz QKCMKHVDSKCRNB-VHSXEESVSA-N 0 0 393.487 2.626 20 5 GFBDRN C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C(=O)OC(C)(C)C 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NJLVYIQJFJDFCL-UHFFFAOYSA-N 0 0 394.229 2.560 20 5 GFBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000829470386 660594087 /nfs/dbraw/zinc/59/40/87/660594087.db2.gz BMKNRKSKAKPRJP-SNVBAGLBSA-N 0 0 390.692 2.856 20 5 GFBDRN O=C(NC1([C@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830159234 660638894 /nfs/dbraw/zinc/63/88/94/660638894.db2.gz CLTSBLPKAYVJBZ-GFCCVEGCSA-N 0 0 384.230 2.974 20 5 GFBDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ncc2Br)[nH]1 ZINC000830366180 660650712 /nfs/dbraw/zinc/65/07/12/660650712.db2.gz BHCBKVXOXICKLJ-SFYZADRCSA-N 0 0 397.233 2.875 20 5 GFBDRN C[C@@H]1C[C@@H](S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000830908990 660685738 /nfs/dbraw/zinc/68/57/38/660685738.db2.gz SDTLMEVMTCKNCY-BDAKNGLRSA-N 0 0 380.216 2.633 20 5 GFBDRN C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831020401 660690853 /nfs/dbraw/zinc/69/08/53/660690853.db2.gz RGAOWEJXVUJTDK-DTWKUNHWSA-N 0 0 382.269 2.615 20 5 GFBDRN 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Cc1[nH]c(=S)sc1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135542695 655019875 /nfs/dbraw/zinc/01/98/75/655019875.db2.gz MKBRAHQLSFHIIS-SNVBAGLBSA-N 0 0 379.467 2.673 20 5 GFBDRN CS[C@H](C)CNC(=O)c1ccc(C(=O)NC[C@H](C)SC)c([N+](=O)[O-])c1 ZINC000269820300 655023446 /nfs/dbraw/zinc/02/34/46/655023446.db2.gz GEULOQLURIVMMO-MNOVXSKESA-N 0 0 385.511 2.557 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@@H](CO)C[C@H](O)c2ccccc2)c(Br)c1 ZINC000269886326 655025966 /nfs/dbraw/zinc/02/59/66/655025966.db2.gz BGZNQQIGMSVXSE-RISCZKNCSA-N 0 0 382.214 2.649 20 5 GFBDRN CCc1nn(C)c(N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000094139037 655028281 /nfs/dbraw/zinc/02/82/81/655028281.db2.gz ZFKRMPFABNPMJK-UHFFFAOYSA-N 0 0 385.255 2.919 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000270255416 655038766 /nfs/dbraw/zinc/03/87/66/655038766.db2.gz NIOOMXBYITVWSW-JTQLQIEISA-N 0 0 384.435 2.605 20 5 GFBDRN CCOc1cccc(CNC(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c1 ZINC000102201842 655052372 /nfs/dbraw/zinc/05/23/72/655052372.db2.gz NTAOITVPRPCQBP-UHFFFAOYSA-N 0 0 397.229 2.577 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC2(C1)OCCO2 ZINC000152175219 655057059 /nfs/dbraw/zinc/05/70/59/655057059.db2.gz VSXRIVLRZXBIDN-UHFFFAOYSA-N 0 0 391.605 2.600 20 5 GFBDRN O=C(C[C@@H]1CCS(=O)(=O)C1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102837311 655062228 /nfs/dbraw/zinc/06/22/28/655062228.db2.gz WBGHDRPXFITUNR-LBPRGKRZSA-N 0 0 386.857 2.816 20 5 GFBDRN COCCN(CC(C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103154003 655067686 /nfs/dbraw/zinc/06/76/86/655067686.db2.gz PGKSNTKOCMIZCX-UHFFFAOYSA-N 0 0 395.275 2.650 20 5 GFBDRN CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1Br)CC(F)(F)F ZINC000154202582 655074030 /nfs/dbraw/zinc/07/40/30/655074030.db2.gz ZESBWPYTVBEBRB-UHFFFAOYSA-N 0 0 398.179 2.971 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCO[C@@H](c3ccccc3F)C2)s1 ZINC000271305306 655075548 /nfs/dbraw/zinc/07/55/48/655075548.db2.gz RMWAZEDSGLFXAC-CYBMUJFWSA-N 0 0 386.426 2.777 20 5 GFBDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)nc1)c1cccc([N+](=O)[O-])c1 ZINC000154548520 655076452 /nfs/dbraw/zinc/07/64/52/655076452.db2.gz VOUNMYQXPWCJQX-SECBINFHSA-N 0 0 393.197 2.568 20 5 GFBDRN O=C(NCCCO[C@@H]1CCOC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155106170 655081111 /nfs/dbraw/zinc/08/11/11/655081111.db2.gz QTMVRWHIZYFPOG-LLVKDONJSA-N 0 0 388.218 2.674 20 5 GFBDRN CCC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000155249152 655082734 /nfs/dbraw/zinc/08/27/34/655082734.db2.gz NMTRLJUQOVLNDM-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000155281723 655083016 /nfs/dbraw/zinc/08/30/16/655083016.db2.gz VBJAWYXVZVVZFG-JTQLQIEISA-N 0 0 393.259 2.547 20 5 GFBDRN COC1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000271738594 655093264 /nfs/dbraw/zinc/09/32/64/655093264.db2.gz VRNPZGSKHODBDJ-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000159040597 655110976 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CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000161875335 655129003 /nfs/dbraw/zinc/12/90/03/655129003.db2.gz IMCWJUUVATZYNX-TZMCWYRMSA-N 0 0 376.862 2.871 20 5 GFBDRN CCC1(COC(=O)c2cc(I)cc([N+](=O)[O-])c2)COC1 ZINC000162543037 655132612 /nfs/dbraw/zinc/13/26/12/655132612.db2.gz LDTPEKZISWNUSI-UHFFFAOYSA-N 0 0 391.161 2.783 20 5 GFBDRN Cc1csc([C@@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000108450330 655132798 /nfs/dbraw/zinc/13/27/98/655132798.db2.gz WRDWWQAQCVITRU-SECBINFHSA-N 0 0 382.829 2.620 20 5 GFBDRN C[C@H]1CC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000162872788 655133819 /nfs/dbraw/zinc/13/38/19/655133819.db2.gz NYPVAUJPSCUJFN-IUCAKERBSA-N 0 0 393.259 2.592 20 5 GFBDRN CC(C)[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000273298042 655138559 /nfs/dbraw/zinc/13/85/59/655138559.db2.gz GOIQORHVXFRMGA-LLVKDONJSA-N 0 0 378.472 2.838 20 5 GFBDRN CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170916354 655146942 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FJGVWNKOAQWUCR-AOOOYVTPSA-N 0 0 375.244 2.634 20 5 GFBDRN Cc1nccnc1N1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839593584 661094431 /nfs/dbraw/zinc/09/44/31/661094431.db2.gz XRTZKLMFIJMJRC-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601218 661094891 /nfs/dbraw/zinc/09/48/91/661094891.db2.gz PLHQLHUUJVPFCY-JSGCOSHPSA-N 0 0 384.274 2.652 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000173831386 655182245 /nfs/dbraw/zinc/18/22/45/655182245.db2.gz PFXYVXHOLQJSOI-LBPRGKRZSA-N 0 0 395.275 2.697 20 5 GFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)c(Br)c1 ZINC000173873273 655183665 /nfs/dbraw/zinc/18/36/65/655183665.db2.gz OAXPMBNUMFMAJL-UHFFFAOYSA-N 0 0 394.225 2.798 20 5 GFBDRN O=[N+]([O-])c1cccc([C@H](NCC[C@H]2CCS(=O)(=O)C2)C(F)(F)F)c1F ZINC000839653447 661098544 /nfs/dbraw/zinc/09/85/44/661098544.db2.gz WTUSHISEEWYGSP-ZANVPECISA-N 0 0 384.351 2.752 20 5 GFBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1 ZINC000113303011 655207715 /nfs/dbraw/zinc/20/77/15/655207715.db2.gz MIRDVBMQALJACX-UHFFFAOYSA-N 0 0 383.813 2.555 20 5 GFBDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839560224 661091962 /nfs/dbraw/zinc/09/19/62/661091962.db2.gz ODNHYLNWAYOMEI-TZMCWYRMSA-N 0 0 383.242 2.927 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000176408208 655244295 /nfs/dbraw/zinc/24/42/95/655244295.db2.gz QRJHUKOKYZZPNQ-UHFFFAOYSA-N 0 0 393.614 2.947 20 5 GFBDRN CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(OC)OC ZINC000839744934 661103928 /nfs/dbraw/zinc/10/39/28/661103928.db2.gz NWWKRMNSCLKISE-NSHDSACASA-N 0 0 375.219 2.793 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000116712291 655252236 /nfs/dbraw/zinc/25/22/36/655252236.db2.gz DIPUFJYBNHNUJS-XMMPIXPASA-N 0 0 382.463 2.891 20 5 GFBDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000839812973 661109269 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383.253 2.949 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000371599338 563282502 /nfs/dbraw/zinc/28/25/02/563282502.db2.gz WKTZCBDMRAIDMS-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN CC(C)(C[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1)C(N)=O ZINC000296319302 563283325 /nfs/dbraw/zinc/28/33/25/563283325.db2.gz ODTWHCPNBUIXEM-SNVBAGLBSA-N 0 0 385.262 2.870 20 5 GFBDRN COC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000296638147 563295061 /nfs/dbraw/zinc/29/50/61/563295061.db2.gz IFWCTJJZODKXSK-SECBINFHSA-N 0 0 383.253 2.949 20 5 GFBDRN CN(C)c1ccc(COC(=O)c2c(Br)cnn2C)cc1[N+](=O)[O-] ZINC000296690840 563297049 /nfs/dbraw/zinc/29/70/49/563297049.db2.gz AMZPMOLVZKZJEE-UHFFFAOYSA-N 0 0 383.202 2.514 20 5 GFBDRN CCOC(=O)CSc1nnc(NCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000279676534 563305323 /nfs/dbraw/zinc/30/53/23/563305323.db2.gz ZOZGPNLRUKCZMB-UHFFFAOYSA-N 0 0 384.439 2.722 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(CCCO)Cc1ccccn1 ZINC000279908170 563314561 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COc1cccc(C(=O)NCCNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301557377 563407233 /nfs/dbraw/zinc/40/72/33/563407233.db2.gz SSLLFJQAOBKOTN-UHFFFAOYSA-N 0 0 395.213 2.603 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000425197800 563410165 /nfs/dbraw/zinc/41/01/65/563410165.db2.gz WUUXSLOAEDVJDX-UHFFFAOYSA-N 0 0 376.381 2.576 20 5 GFBDRN Cn1nc(Br)c2c1ncnc2N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000301807299 563412301 /nfs/dbraw/zinc/41/23/01/563412301.db2.gz CBSYTJQAOQRCES-UHFFFAOYSA-N 0 0 389.213 2.597 20 5 GFBDRN Cc1ccc(C(=O)NCCNc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000301860941 563414264 /nfs/dbraw/zinc/41/42/64/563414264.db2.gz DOKDVVNMTJLCTN-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC([C@@H]3CCOC3)CC2)c1 ZINC000375714560 563415459 /nfs/dbraw/zinc/41/54/59/563415459.db2.gz OQWGBEHMYFSOKE-LLVKDONJSA-N 0 0 392.836 2.825 20 5 GFBDRN COCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000425281974 563416197 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384.274 2.823 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282924447 563429635 /nfs/dbraw/zinc/42/96/35/563429635.db2.gz YCZSPRJJEQUTNO-UHFFFAOYSA-N 0 0 387.889 2.638 20 5 GFBDRN COCCn1ncc2c1[C@H](Nc1c(Br)cncc1[N+](=O)[O-])CCC2 ZINC000376302398 563436752 /nfs/dbraw/zinc/43/67/52/563436752.db2.gz JEHLSLDLLDHASX-GFCCVEGCSA-N 0 0 396.245 2.507 20 5 GFBDRN COC(=O)[C@]1(C)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000283240447 563439598 /nfs/dbraw/zinc/43/95/98/563439598.db2.gz JHTNOIKEAKCHIJ-RFAUZJTJSA-N 0 0 385.214 2.629 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000317883912 563443375 /nfs/dbraw/zinc/44/33/75/563443375.db2.gz ZRLGXIJCUJNHLY-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000376615213 563448267 /nfs/dbraw/zinc/44/82/67/563448267.db2.gz NRBYRBFYLAHMJV-PBINXNQUSA-N 0 0 383.198 2.538 20 5 GFBDRN O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000324446597 563452062 /nfs/dbraw/zinc/45/20/62/563452062.db2.gz FKFUPGCSYIPXRI-UHFFFAOYSA-N 0 0 388.177 2.950 20 5 GFBDRN COc1cc(CSc2ncc(CO)n2C)c([N+](=O)[O-])cc1OC(F)F ZINC000426600817 563453510 /nfs/dbraw/zinc/45/35/10/563453510.db2.gz MHAJEFOCPFSGAG-UHFFFAOYSA-N 0 0 375.353 2.723 20 5 GFBDRN CC(C)(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)S(=O)(=O)C1CC1 ZINC000283809612 563455714 /nfs/dbraw/zinc/45/57/14/563455714.db2.gz CANXQFMUDRXYMJ-UHFFFAOYSA-N 0 0 391.243 2.652 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(C2OCCO2)CC1 ZINC000284110079 563464337 /nfs/dbraw/zinc/46/43/37/563464337.db2.gz YPNMXSIAIFWGLW-UHFFFAOYSA-N 0 0 399.241 2.891 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)c1 ZINC000377156078 563464498 /nfs/dbraw/zinc/46/44/98/563464498.db2.gz XKSJMDLOBUGPLI-JTQLQIEISA-N 0 0 388.808 2.610 20 5 GFBDRN Cc1nc2c(s1)CCC[C@H]2CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000377221014 563467292 /nfs/dbraw/zinc/46/72/92/563467292.db2.gz HUXWTWGPWQWEDR-JTQLQIEISA-N 0 0 382.467 2.539 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GFBDRN Cc1c(NC(=O)c2cnn3cccnc23)cc(Br)cc1[N+](=O)[O-] ZINC000431179207 563556060 /nfs/dbraw/zinc/55/60/60/563556060.db2.gz MKSQXLTWIOYFPV-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN COC(=O)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(C)C ZINC000431483675 563561551 /nfs/dbraw/zinc/56/15/51/563561551.db2.gz ONJACGXNRGIFDG-NSHDSACASA-N 0 0 387.230 2.922 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286470262 563561557 /nfs/dbraw/zinc/56/15/57/563561557.db2.gz VSXUPZGXXADVFM-JGVFFNPUSA-N 0 0 384.152 2.749 20 5 GFBDRN CCNC(=O)CCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286475829 563561639 /nfs/dbraw/zinc/56/16/39/563561639.db2.gz ZYWLCEDXWODKHG-UHFFFAOYSA-N 0 0 398.257 2.548 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000432300494 563579808 /nfs/dbraw/zinc/57/98/08/563579808.db2.gz TZNMJTDOICKXBK-VXNVDRBHSA-N 0 0 383.227 2.913 20 5 GFBDRN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ncc(Br)s1 ZINC000432549457 563586665 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GFBDRN Cc1c(NC(=O)N2CC[S@](=O)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330827 563648225 /nfs/dbraw/zinc/64/82/25/563648225.db2.gz WPQMHJCAWMRHIX-PJLCYMMNSA-N 0 0 390.259 2.650 20 5 GFBDRN Cc1c(NC(=O)NCC[C@@H](C)[S@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000435330182 563648258 /nfs/dbraw/zinc/64/82/58/563648258.db2.gz SBACFEHHAQQQEX-PJLCYMMNSA-N 0 0 392.275 2.944 20 5 GFBDRN C[C@@H](NC(=O)N(C)CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000288757766 563655865 /nfs/dbraw/zinc/65/58/65/563655865.db2.gz YTCIHWIPQSCODP-LLVKDONJSA-N 0 0 396.245 2.956 20 5 GFBDRN C[S@](=O)c1ccc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000436052258 563663327 /nfs/dbraw/zinc/66/33/27/563663327.db2.gz NRROBSRJXFAOAM-VWLOTQADSA-N 0 0 380.853 2.887 20 5 GFBDRN C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1csnn1 ZINC000412808110 563669823 /nfs/dbraw/zinc/66/98/23/563669823.db2.gz VCLIMAGXUYRMBV-SSDOTTSWSA-N 0 0 376.316 2.878 20 5 GFBDRN C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ncn(C)n1 ZINC000436429557 563670599 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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1Cn1cccn1 ZINC000360091907 563691566 /nfs/dbraw/zinc/69/15/66/563691566.db2.gz GRXYPWOANCGALE-CYBMUJFWSA-N 0 0 384.845 2.688 20 5 GFBDRN Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000360286292 563691939 /nfs/dbraw/zinc/69/19/39/563691939.db2.gz ZRVNBGASOQKADL-SNVBAGLBSA-N 0 0 386.817 2.508 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc([N+](=O)[O-])c1F ZINC000290026882 563694964 /nfs/dbraw/zinc/69/49/64/563694964.db2.gz VNVMOLLNHAWCKG-NSHDSACASA-N 0 0 388.808 2.528 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC(CCCO)CC2)cc1Cl ZINC000290034648 563695892 /nfs/dbraw/zinc/69/58/92/563695892.db2.gz ZFQHLPJKABIUAK-UHFFFAOYSA-N 0 0 380.825 2.561 20 5 GFBDRN Cc1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000361088617 563697134 /nfs/dbraw/zinc/69/71/34/563697134.db2.gz VZTTWUGWVMSLSZ-ZDUSSCGKSA-N 0 0 384.845 2.816 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(C)c(Br)c2)c1=O ZINC000437614452 563697280 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Cc1nn(C)c2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCS2 ZINC000363300280 563718963 /nfs/dbraw/zinc/71/89/63/563718963.db2.gz ZJWOEGZKRXDZEU-UHFFFAOYSA-N 0 0 388.858 2.591 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000363318850 563719515 /nfs/dbraw/zinc/71/95/15/563719515.db2.gz WWANQFCRLBDQRF-VQISRLSMSA-N 0 0 388.873 2.991 20 5 GFBDRN Cc1nnc(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000290735662 563719832 /nfs/dbraw/zinc/71/98/32/563719832.db2.gz BKDOOFLXTISAEF-UHFFFAOYSA-N 0 0 396.372 2.703 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439249270 563720355 /nfs/dbraw/zinc/72/03/55/563720355.db2.gz RTIDBWZDRLRSJI-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN CC(C)(CCc1noc(-c2cc(I)c[nH]2)n1)[N+](=O)[O-] ZINC000291022299 563730023 /nfs/dbraw/zinc/73/00/23/563730023.db2.gz CSDACGMRSLJKHS-UHFFFAOYSA-N 0 0 376.154 2.657 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291319640 563738985 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GFBDRN Cn1ccnc1-c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000365204210 563777139 /nfs/dbraw/zinc/77/71/39/563777139.db2.gz PEPAOWDXMGAOPK-UHFFFAOYSA-N 0 0 397.214 2.795 20 5 GFBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCn2c(Br)cnc2C1 ZINC000365451545 563784036 /nfs/dbraw/zinc/78/40/36/563784036.db2.gz BICILSYJHIIYTG-UHFFFAOYSA-N 0 0 385.605 2.863 20 5 GFBDRN Cc1cc(Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(F)cc1[N+](=O)[O-] ZINC000292568867 563790537 /nfs/dbraw/zinc/79/05/37/563790537.db2.gz KDECQNXURPTEMR-VIFPVBQESA-N 0 0 387.414 2.554 20 5 GFBDRN CCC(=O)N1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365682664 563790822 /nfs/dbraw/zinc/79/08/22/563790822.db2.gz ZZSPAWBRXSKMFT-UHFFFAOYSA-N 0 0 390.259 2.503 20 5 GFBDRN O=C(CCc1cncnc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000293342573 563808712 /nfs/dbraw/zinc/80/87/12/563808712.db2.gz XMSSXACYPBMKTK-UHFFFAOYSA-N 0 0 391.225 2.665 20 5 GFBDRN C[C@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366575774 563814615 /nfs/dbraw/zinc/81/46/15/563814615.db2.gz REUAILLYJXJXQQ-MEDUHNTESA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416356456 563817610 /nfs/dbraw/zinc/81/76/10/563817610.db2.gz VURWASIYDHZRGI-VIFPVBQESA-N 0 0 392.200 2.735 20 5 GFBDRN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416377062 563820026 /nfs/dbraw/zinc/82/00/26/563820026.db2.gz WVBJAVKAUXHSKD-ONGXEEELSA-N 0 0 382.360 2.802 20 5 GFBDRN CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000294008129 563829345 /nfs/dbraw/zinc/82/93/45/563829345.db2.gz XZZBAZOWSVPHED-UONOGXRCSA-N 0 0 388.251 2.837 20 5 GFBDRN CC[C@]1(C)COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416447682 563829948 /nfs/dbraw/zinc/82/99/48/563829948.db2.gz DFGTVBNWKCEHGO-CYBMUJFWSA-N 0 0 382.360 2.803 20 5 GFBDRN C[C@H]1CSCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416470597 563833427 /nfs/dbraw/zinc/83/34/27/563833427.db2.gz MYMVUIXVKBTYAH-SECBINFHSA-N 0 0 384.401 2.987 20 5 GFBDRN CN(CC[C@H]1CCCO1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416472439 563834319 /nfs/dbraw/zinc/83/43/19/563834319.db2.gz NICNHHBMJYXQTR-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2ncsc2C1 ZINC000416474087 563834523 /nfs/dbraw/zinc/83/45/23/563834523.db2.gz QGSVYSABDQHOIQ-UHFFFAOYSA-N 0 0 393.368 2.817 20 5 GFBDRN C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@@]1=O ZINC000294250135 563835904 /nfs/dbraw/zinc/83/59/04/563835904.db2.gz PMNWQZQDUJYJFO-USOBGDSLSA-N 0 0 377.369 2.571 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2ccc(Cl)cc2I)nc1 ZINC000444867270 563838382 /nfs/dbraw/zinc/83/83/82/563838382.db2.gz BUBPOKMHQIJIGQ-UHFFFAOYSA-N 0 0 390.568 2.677 20 5 GFBDRN CSc1cccc(C(=O)N2CCn3c(Br)cnc3C2)c1[N+](=O)[O-] ZINC000367268250 563838460 /nfs/dbraw/zinc/83/84/60/563838460.db2.gz VPEJSLJFMVGQGF-UHFFFAOYSA-N 0 0 397.254 2.932 20 5 GFBDRN Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1I ZINC000444859868 563838539 /nfs/dbraw/zinc/83/85/39/563838539.db2.gz OPRQBNMTGVVUBO-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCn2c(Br)cnc2C1 ZINC000367266071 563838557 /nfs/dbraw/zinc/83/85/57/563838557.db2.gz CVEANMDGHDDPMF-SNAWJCMRSA-N 0 0 377.198 2.609 20 5 GFBDRN O=C(NCCCN1CCCCC1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445174630 563844588 /nfs/dbraw/zinc/84/45/88/563844588.db2.gz RVEKGZFXPZDUQN-UHFFFAOYSA-N 0 0 390.259 2.551 20 5 GFBDRN O=c1c2ccsc2ncn1CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445467280 563849643 /nfs/dbraw/zinc/84/96/43/563849643.db2.gz AAZXBVQWKSVVDG-UHFFFAOYSA-N 0 0 375.391 2.720 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1F ZINC000416600919 563851824 /nfs/dbraw/zinc/85/18/24/563851824.db2.gz YEOBQVMXXLBAOB-NXEZZACHSA-N 0 0 381.223 2.916 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000445706782 563852732 /nfs/dbraw/zinc/85/27/32/563852732.db2.gz HOZMCGUWEFCWCE-SNVBAGLBSA-N 0 0 388.339 2.998 20 5 GFBDRN COC1([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000416614597 563853901 /nfs/dbraw/zinc/85/39/01/563853901.db2.gz IMNASBFFSXBVNY-SECBINFHSA-N 0 0 393.259 2.593 20 5 GFBDRN CC1(C)CCC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000445755212 563854149 /nfs/dbraw/zinc/85/41/49/563854149.db2.gz GUJSTQUPHASOTH-HNNXBMFYSA-N 0 0 376.862 2.858 20 5 GFBDRN COC(=O)C1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000446026798 563856692 /nfs/dbraw/zinc/85/66/92/563856692.db2.gz UGWOEVCXYRYKLJ-UHFFFAOYSA-N 0 0 377.216 2.634 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000416665331 563859097 /nfs/dbraw/zinc/85/90/97/563859097.db2.gz UHOGDGCWNBQVAO-CQSZACIVSA-N 0 0 390.458 2.649 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)cc1Cl ZINC000368131559 563864706 /nfs/dbraw/zinc/86/47/06/563864706.db2.gz AROMQFOQKHNWGD-JTQLQIEISA-N 0 0 388.808 2.610 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(Cl)cc1Cl ZINC000368132040 563864718 /nfs/dbraw/zinc/86/47/18/563864718.db2.gz CXDLCVNUWKAZPI-UWVGGRQHSA-N 0 0 395.264 2.949 20 5 GFBDRN CSc1cccc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1[N+](=O)[O-] ZINC000368412612 563870202 /nfs/dbraw/zinc/87/02/02/563870202.db2.gz SOIOJXQKBMIPSC-GFCCVEGCSA-N 0 0 378.431 2.575 20 5 GFBDRN Cc1cnc([C@H]2CCCCN2c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000368573557 563873957 /nfs/dbraw/zinc/87/39/57/563873957.db2.gz UEYCROOZLNNSSF-CYBMUJFWSA-N 0 0 382.467 2.739 20 5 GFBDRN Cn1cc(Cl)cc1C(=O)N1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000368876047 563880502 /nfs/dbraw/zinc/88/05/02/563880502.db2.gz OJJZBDKCTABBDI-UHFFFAOYSA-N 0 0 382.873 2.996 20 5 GFBDRN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935136 563891398 /nfs/dbraw/zinc/89/13/98/563891398.db2.gz DPQZVNBHHYUHIS-ZDUSSCGKSA-N 0 0 375.878 2.647 20 5 GFBDRN CN(C)C(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000471211791 564189021 /nfs/dbraw/zinc/18/90/21/564189021.db2.gz HWLGLOMSYOUSSB-UHFFFAOYSA-N 0 0 393.197 2.706 20 5 GFBDRN C[C@](O)(CNc1ccc(I)cc1[N+](=O)[O-])C(F)(F)F ZINC000538511484 564192654 /nfs/dbraw/zinc/19/26/54/564192654.db2.gz OQMZHLSZQJACLS-VIFPVBQESA-N 0 0 390.099 2.925 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N=c2cc[nH]c3ccncc32)cc1[N+](=O)[O-] ZINC000471518585 564196822 /nfs/dbraw/zinc/19/68/22/564196822.db2.gz APCYPCXTTRDJBU-UHFFFAOYSA-N 0 0 378.797 2.723 20 5 GFBDRN CN(C)C(=O)c1ccnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000506216863 564199127 /nfs/dbraw/zinc/19/91/27/564199127.db2.gz UPHKYLYRYBSJCM-UHFFFAOYSA-N 0 0 393.197 2.706 20 5 GFBDRN COc1cccc(COCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000538788624 564201288 /nfs/dbraw/zinc/20/12/88/564201288.db2.gz RHIKNMCCWSVYPI-UHFFFAOYSA-N 0 0 386.451 2.697 20 5 GFBDRN COc1nc(C)c(Br)cc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000563746855 564204769 /nfs/dbraw/zinc/20/47/69/564204769.db2.gz IYMGLZVIRXVBMA-UHFFFAOYSA-N 0 0 381.186 2.741 20 5 GFBDRN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cc2c(cc1Br)OCCO2 ZINC000539281398 564215999 /nfs/dbraw/zinc/21/59/99/564215999.db2.gz RSPBCXAALIWRRH-SECBINFHSA-N 0 0 397.229 2.713 20 5 GFBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn2ccc(Br)cc2n1 ZINC000507188325 564220656 /nfs/dbraw/zinc/22/06/56/564220656.db2.gz PQZWYCDATAUWQP-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN Cc1cc(NC(=O)CCn2cc(Br)ccc2=O)ccc1[N+](=O)[O-] ZINC000539650996 564224951 /nfs/dbraw/zinc/22/49/51/564224951.db2.gz TVJAJSIZBLKCLZ-UHFFFAOYSA-N 0 0 380.198 2.856 20 5 GFBDRN Cc1nc(NC[C@H]2CCN(c3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC000450273679 564224917 /nfs/dbraw/zinc/22/49/17/564224917.db2.gz HPHFXUWIPRZWLQ-GFCCVEGCSA-N 0 0 392.257 2.816 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000564388735 564232021 /nfs/dbraw/zinc/23/20/21/564232021.db2.gz CAJPZIUDZPMVSI-CQSZACIVSA-N 0 0 388.205 2.810 20 5 GFBDRN O=C(N[C@@H](CO)CC(F)(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539981537 564235213 /nfs/dbraw/zinc/23/52/13/564235213.db2.gz FJYHDCXJWIUXDR-SECBINFHSA-N 0 0 375.328 2.761 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000540242535 564243310 /nfs/dbraw/zinc/24/33/10/564243310.db2.gz KPXRKMOBAJYISD-ISVAXAHUSA-N 0 0 383.202 2.586 20 5 GFBDRN NS(=O)(=O)c1cccc(N[C@@H]2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000450867890 564252062 /nfs/dbraw/zinc/25/20/62/564252062.db2.gz VOFFZWNPUMQBGP-PWSUYJOCSA-N 0 0 383.451 2.636 20 5 GFBDRN CC(C)O[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000564908343 564256498 /nfs/dbraw/zinc/25/64/98/564256498.db2.gz LZTQNERCWSUAKL-LLVKDONJSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(Br)cc1 ZINC000540897239 564259430 /nfs/dbraw/zinc/25/94/30/564259430.db2.gz ZFPIDUXBTYPNNS-OAHLLOKOSA-N 0 0 395.209 2.586 20 5 GFBDRN O=C(NCCCC(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000508358103 564261628 /nfs/dbraw/zinc/26/16/28/564261628.db2.gz CQNOWNLGRKVINX-SECBINFHSA-N 0 0 379.360 2.720 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1F ZINC000474358632 564276359 /nfs/dbraw/zinc/27/63/59/564276359.db2.gz WVGVMGQJCHSQPJ-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000541924496 564294391 /nfs/dbraw/zinc/29/43/91/564294391.db2.gz SEGIJXZXPREKMU-SNVBAGLBSA-N 0 0 395.213 2.763 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCCS2)c1 ZINC000542242519 564306586 /nfs/dbraw/zinc/30/65/86/564306586.db2.gz XKJYBFGJRGMOAH-LLVKDONJSA-N 0 0 395.300 2.921 20 5 GFBDRN COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542242245 564306797 /nfs/dbraw/zinc/30/67/97/564306797.db2.gz VHVKRPHBVWJLOZ-NSHDSACASA-N 0 0 388.829 2.767 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(Br)s3)CC2)cn1 ZINC000543059306 564336342 /nfs/dbraw/zinc/33/63/42/564336342.db2.gz ZRQMERYJMQQOJC-UHFFFAOYSA-N 0 0 384.259 2.531 20 5 GFBDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476357828 564336723 /nfs/dbraw/zinc/33/67/23/564336723.db2.gz MYWNPUNVZUWMCZ-SNVBAGLBSA-N 0 0 381.230 2.842 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451741108 564346447 /nfs/dbraw/zinc/34/64/47/564346447.db2.gz ACVNFAVQWPQZAT-OAHLLOKOSA-N 0 0 384.841 2.911 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649902 564350183 /nfs/dbraw/zinc/35/01/83/564350183.db2.gz UWRNUEOMJVPXIT-SECBINFHSA-N 0 0 379.214 2.678 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893713 564363438 /nfs/dbraw/zinc/36/34/38/564363438.db2.gz CEAAZBZAYDOTDS-GXTWGEPZSA-N 0 0 383.451 2.558 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905017 564364334 /nfs/dbraw/zinc/36/43/34/564364334.db2.gz SPGANALDSHVASX-GXTWGEPZSA-N 0 0 383.451 2.558 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000511337961 564368034 /nfs/dbraw/zinc/36/80/34/564368034.db2.gz OIALGHPLWAXCIU-UHFFFAOYSA-N 0 0 391.181 2.688 20 5 GFBDRN CCc1nnc([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]1 ZINC000477310909 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O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000557754241 564874861 /nfs/dbraw/zinc/87/48/61/564874861.db2.gz SIGZIVKUQBUONE-UHFFFAOYSA-N 0 0 386.857 2.679 20 5 GFBDRN O=C(Cn1cc(Br)cn1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498140427 564889673 /nfs/dbraw/zinc/88/96/73/564889673.db2.gz NTERNNSJMFVGAR-AWEZNQCLSA-N 0 0 397.254 2.828 20 5 GFBDRN O=C(CNC(=O)c1cccs1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498152196 564890361 /nfs/dbraw/zinc/89/03/61/564890361.db2.gz HXYHZNCBIFSVPD-INIZCTEOSA-N 0 0 377.447 2.660 20 5 GFBDRN CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531334618 564907495 /nfs/dbraw/zinc/90/74/95/564907495.db2.gz VFKYOYRQPXYLTQ-INIZCTEOSA-N 0 0 383.857 2.829 20 5 GFBDRN Cc1nccnc1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000558967016 564919321 /nfs/dbraw/zinc/91/93/21/564919321.db2.gz MJMQFZBWEODXCD-UHFFFAOYSA-N 0 0 384.177 2.952 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCCO[C@@H]1CCOC1 ZINC000465048215 564922067 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GFBDRN COCCOc1c(Cl)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000180875424 552238347 /nfs/dbraw/zinc/23/83/47/552238347.db2.gz LDDDKUMPRYATLX-UHFFFAOYSA-N 0 0 389.195 2.762 20 5 GFBDRN C[C@@H]1CCC[C@H](CO)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000181380838 552255182 /nfs/dbraw/zinc/25/51/82/552255182.db2.gz HGSAHOVIOUYXIE-ZYHUDNBSSA-N 0 0 386.246 2.531 20 5 GFBDRN O=C(N[C@H]1COc2ccccc2C1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000181583344 552262049 /nfs/dbraw/zinc/26/20/49/552262049.db2.gz GRLPYBSNAYQVJV-ZDUSSCGKSA-N 0 0 391.177 2.731 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000182012648 552273269 /nfs/dbraw/zinc/27/32/69/552273269.db2.gz IJMJOALCKOCCRV-OAHLLOKOSA-N 0 0 382.463 2.504 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CO ZINC000182388462 552282768 /nfs/dbraw/zinc/28/27/68/552282768.db2.gz QFJOJKVOVSGIEM-HNNXBMFYSA-N 0 0 382.825 2.529 20 5 GFBDRN C[C@H]([C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000182641021 552289681 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GFBDRN CC1(C)[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C[C@@H]1O ZINC000190704415 552506361 /nfs/dbraw/zinc/50/63/61/552506361.db2.gz JMGPPMWKDMYKQA-ZJUUUORDSA-N 0 0 377.622 2.900 20 5 GFBDRN CCOC(=O)c1csc(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000191768870 552537451 /nfs/dbraw/zinc/53/74/51/552537451.db2.gz CSPWJXXGMPUKBN-UHFFFAOYSA-N 0 0 383.813 2.854 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000192034166 552546902 /nfs/dbraw/zinc/54/69/02/552546902.db2.gz NPFKUARTQBKECS-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1(=O)=O ZINC000192046725 552547370 /nfs/dbraw/zinc/54/73/70/552547370.db2.gz UIFREFWGLFAYLA-LBPRGKRZSA-N 0 0 381.479 2.727 20 5 GFBDRN CCC1(CC)CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[S@@]1=O ZINC000192145730 552553318 /nfs/dbraw/zinc/55/33/18/552553318.db2.gz MZDUKEUOVUCFBX-DEOSSOPVSA-N 0 0 388.511 2.523 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000194610334 553025212 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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246983571 553116673 /nfs/dbraw/zinc/11/66/73/553116673.db2.gz TVGLVOCGYFAQEB-NILFDRSVSA-N 0 0 386.857 2.874 20 5 GFBDRN CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000247742776 553125187 /nfs/dbraw/zinc/12/51/87/553125187.db2.gz XIFHCVWTERSPPI-ZYHUDNBSSA-N 0 0 386.246 2.795 20 5 GFBDRN CCOC(=O)CC[C@@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278038483 563237561 /nfs/dbraw/zinc/23/75/61/563237561.db2.gz KTNYPNHDQFEREF-SSDOTTSWSA-N 0 0 379.232 2.880 20 5 GFBDRN Cc1cc(NC(=O)CNC(=O)CCC(C)(C)[N+](=O)[O-])ccc1Br ZINC000294693232 563213285 /nfs/dbraw/zinc/21/32/85/563213285.db2.gz XPEIDXFTALETMY-UHFFFAOYSA-N 0 0 386.246 2.648 20 5 GFBDRN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000369558021 563217368 /nfs/dbraw/zinc/21/73/68/563217368.db2.gz DLGDZDAHWOBTNT-IIMNLJJBSA-N 0 0 396.241 2.616 20 5 GFBDRN CCc1nc(CNc2c(I)cncc2[N+](=O)[O-])cs1 ZINC000418870817 563228463 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GFBDRN C[C@H]1COCC[C@@H]1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295801994 563263291 /nfs/dbraw/zinc/26/32/91/563263291.db2.gz BAXKAQUFXDETJI-DTWKUNHWSA-N 0 0 383.253 2.853 20 5 GFBDRN CCn1cc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1 ZINC000295823128 563263771 /nfs/dbraw/zinc/26/37/71/563263771.db2.gz CIHICFGCJNWVRD-UHFFFAOYSA-N 0 0 379.225 2.597 20 5 GFBDRN CN(Cc1ncnn1CC(F)F)c1cc(Br)ccc1[N+](=O)[O-] ZINC000278696924 563266829 /nfs/dbraw/zinc/26/68/29/563266829.db2.gz FOJZBIOQWIFLPJ-UHFFFAOYSA-N 0 0 376.161 2.850 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCC1(O)CCC1 ZINC000420718841 563278892 /nfs/dbraw/zinc/27/88/92/563278892.db2.gz PDUGBGGTXADFNG-UHFFFAOYSA-N 0 0 382.360 2.587 20 5 GFBDRN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420727148 563279762 /nfs/dbraw/zinc/27/97/62/563279762.db2.gz OBEZTFRXFIOYJW-MNOVXSKESA-N 0 0 390.483 2.645 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000371597581 563282511 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCSCC(F)(F)F ZINC000538757406 564200676 /nfs/dbraw/zinc/20/06/76/564200676.db2.gz LQFPWFBLOOTGPL-UHFFFAOYSA-N 0 0 378.781 2.822 20 5 GFBDRN CCC(O)(CC)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000472201087 564216625 /nfs/dbraw/zinc/21/66/25/564216625.db2.gz NIHOYZFYLDFYFM-UHFFFAOYSA-N 0 0 395.275 2.577 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCOc2ccc(Cl)cn2)cc1C ZINC000472302141 564220229 /nfs/dbraw/zinc/22/02/29/564220229.db2.gz AEVRRJVAKDCCAQ-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000472703203 564231629 /nfs/dbraw/zinc/23/16/29/564231629.db2.gz WYUFTPCKBSPDMP-LBPRGKRZSA-N 0 0 376.843 2.630 20 5 GFBDRN CS(=O)(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000472774332 564233519 /nfs/dbraw/zinc/23/35/19/564233519.db2.gz SDNXIWYCSWRFNO-UHFFFAOYSA-N 0 0 386.788 2.972 20 5 GFBDRN CO[C@H]1COCC[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000450688156 564243377 /nfs/dbraw/zinc/24/33/77/564243377.db2.gz BXJSDXAYBSKLMY-RNCFNFMXSA-N 0 0 392.193 2.663 20 5 GFBDRN Cn1ncc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(Br)c1=O ZINC000450763053 564246719 /nfs/dbraw/zinc/24/67/19/564246719.db2.gz QAVOEYILFWBJDF-GFCCVEGCSA-N 0 0 393.241 2.835 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000450758715 564246736 /nfs/dbraw/zinc/24/67/36/564246736.db2.gz OFQNWJXIZCRZJQ-LLVKDONJSA-N 0 0 391.225 2.845 20 5 GFBDRN Cc1cc(N2CCN(c3ncc(F)cn3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473517615 564249066 /nfs/dbraw/zinc/24/90/66/564249066.db2.gz IYSPNQBJALYSFD-UHFFFAOYSA-N 0 0 396.220 2.921 20 5 GFBDRN Cn1nccc1[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450839995 564250250 /nfs/dbraw/zinc/25/02/50/564250250.db2.gz IDRBLFGZJLVYAH-ZWNOBZJWSA-N 0 0 382.218 2.818 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCOC[C@@H]2c2ccc(F)cc2)s1 ZINC000450839619 564250364 /nfs/dbraw/zinc/25/03/64/564250364.db2.gz UDSSCTQJWCNIQV-CYBMUJFWSA-N 0 0 386.426 2.777 20 5 GFBDRN Cc1ccc(C[C@@H](CO)CNc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000450838638 564250577 /nfs/dbraw/zinc/25/05/77/564250577.db2.gz ASHOVUIFHNRXGU-CYBMUJFWSA-N 0 0 380.242 2.746 20 5 GFBDRN O=[N+]([O-])c1cnccc1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000450844892 564251160 /nfs/dbraw/zinc/25/11/60/564251160.db2.gz MGGIPJAGLVGLIM-SNVBAGLBSA-N 0 0 384.205 2.576 20 5 GFBDRN Cn1nccc1[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450848894 564251427 /nfs/dbraw/zinc/25/14/27/564251427.db2.gz XVHHULXENKRJAH-RNCFNFMXSA-N 0 0 382.218 2.818 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(N2CC(C)(CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000450955837 564257555 /nfs/dbraw/zinc/25/75/55/564257555.db2.gz QNRJOCXVVCTFQN-UHFFFAOYSA-N 0 0 381.376 2.624 20 5 GFBDRN Cc1ccc(Br)c2c1N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000540865099 564258560 /nfs/dbraw/zinc/25/85/60/564258560.db2.gz QWBRBQUWJPPTJA-ZDUSSCGKSA-N 0 0 395.257 2.676 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000540894082 564259456 /nfs/dbraw/zinc/25/94/56/564259456.db2.gz VEJZDNOKZYGMIL-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1NCCC1CCS(=O)(=O)CC1 ZINC000508341391 564261596 /nfs/dbraw/zinc/26/15/96/564261596.db2.gz VCZCSUBJHNAQQV-UHFFFAOYSA-N 0 0 377.260 2.984 20 5 GFBDRN CCN([C@@H](COC)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474127467 564266917 /nfs/dbraw/zinc/26/69/17/564266917.db2.gz BLGNGTMTVMPCHJ-CQSZACIVSA-N 0 0 384.479 2.925 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccoc1 ZINC000508856324 564274834 /nfs/dbraw/zinc/27/48/34/564274834.db2.gz PPOPETGARRGXID-UHFFFAOYSA-N 0 0 379.316 2.597 20 5 GFBDRN C[C@H](NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000509147117 564283304 /nfs/dbraw/zinc/28/33/04/564283304.db2.gz RMVOOTYPGNYDFG-NSHDSACASA-N 0 0 382.825 2.899 20 5 GFBDRN O=C1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000474778271 564289051 /nfs/dbraw/zinc/28/90/51/564289051.db2.gz ZMTUKQQLCLEAGY-ZDUSSCGKSA-N 0 0 391.225 2.965 20 5 GFBDRN CCO[C@@H](C)c1noc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000474784049 564289555 /nfs/dbraw/zinc/28/95/55/564289555.db2.gz NUMWWVFNRAHVKP-QMMMGPOBSA-N 0 0 386.206 2.869 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)CCc2ccccc2)c(Cl)c1 ZINC000542322719 564310583 /nfs/dbraw/zinc/31/05/83/564310583.db2.gz WQLBFUJOMICEIO-AWEZNQCLSA-N 0 0 384.841 2.520 20 5 GFBDRN Cc1c(Br)c(N2CCCN(CC(F)F)CC2)ncc1[N+](=O)[O-] ZINC000542506003 564316320 /nfs/dbraw/zinc/31/63/20/564316320.db2.gz IVYUVTUGMARXBL-UHFFFAOYSA-N 0 0 379.205 2.838 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCCN(c3ncccn3)C2)ncc1[N+](=O)[O-] ZINC000542508514 564316613 /nfs/dbraw/zinc/31/66/13/564316613.db2.gz ZFLGKGBTNPKEPE-LLVKDONJSA-N 0 0 393.245 2.932 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000542764573 564324586 /nfs/dbraw/zinc/32/45/86/564324586.db2.gz KEADTJHWFNBAJP-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN COc1cccc(OC)c1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000476193497 564329473 /nfs/dbraw/zinc/32/94/73/564329473.db2.gz NYANCRFTABCHLR-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cn1c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2cccc(Cl)c21 ZINC000476225463 564331166 /nfs/dbraw/zinc/33/11/66/564331166.db2.gz WOTQOXCBEYWDTC-UHFFFAOYSA-N 0 0 380.813 2.613 20 5 GFBDRN CCC[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000510507054 564336609 /nfs/dbraw/zinc/33/66/09/564336609.db2.gz WPYGYBFBRBRSDX-ZDUSSCGKSA-N 0 0 393.259 2.595 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451741391 564346657 /nfs/dbraw/zinc/34/66/57/564346657.db2.gz CDEVLSUNYQCMJQ-OAHLLOKOSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451745062 564347108 /nfs/dbraw/zinc/34/71/08/564347108.db2.gz NLYNHSSSOFWTAP-MRXNPFEDSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543511644 564353355 /nfs/dbraw/zinc/35/33/55/564353355.db2.gz AIHFFMAAIHLXTP-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000511023569 564353923 /nfs/dbraw/zinc/35/39/23/564353923.db2.gz AMJBWZTVWSJBAL-ZETCQYMHSA-N 0 0 377.756 2.961 20 5 GFBDRN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ncc1Br ZINC000477029985 564361988 /nfs/dbraw/zinc/36/19/88/564361988.db2.gz UVRXKEAHCOYOSR-UHFFFAOYSA-N 0 0 382.170 2.778 20 5 GFBDRN CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000511322430 564367317 /nfs/dbraw/zinc/36/73/17/564367317.db2.gz LWWHTPHSXZMBNQ-UHFFFAOYSA-N 0 0 375.878 2.745 20 5 GFBDRN COc1ccc(NC(=O)c2cc(I)c[nH]2)cc1[N+](=O)[O-] ZINC000543925672 564368875 /nfs/dbraw/zinc/36/88/75/564368875.db2.gz ITCUNOZKESIURC-UHFFFAOYSA-N 0 0 387.133 2.788 20 5 GFBDRN C[C@H](C[C@H](C)O)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000544027594 564371483 /nfs/dbraw/zinc/37/14/83/564371483.db2.gz DMXPPQKUDFRVSB-BDAKNGLRSA-N 0 0 387.223 2.977 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000451957281 564372114 /nfs/dbraw/zinc/37/21/14/564372114.db2.gz FFBVNZGCSUPVGE-ZFWWWQNUSA-N 0 0 382.463 2.996 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1nc(-c2ccco2)cs1 ZINC000477560635 564381364 /nfs/dbraw/zinc/38/13/64/564381364.db2.gz QEFVWUNTZTVLOG-UHFFFAOYSA-N 0 0 380.769 2.765 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452074378 564388637 /nfs/dbraw/zinc/38/86/37/564388637.db2.gz AOLIJAWWEWNJFS-OAHLLOKOSA-N 0 0 382.463 2.839 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000452074377 564388661 /nfs/dbraw/zinc/38/86/61/564388661.db2.gz AOLIJAWWEWNJFS-HNNXBMFYSA-N 0 0 382.463 2.839 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000544597290 564389460 /nfs/dbraw/zinc/38/94/60/564389460.db2.gz ZCKIHSWEFCRGOK-GFCCVEGCSA-N 0 0 388.804 2.708 20 5 GFBDRN COc1ccc(Br)cc1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544782526 564399092 /nfs/dbraw/zinc/39/90/92/564399092.db2.gz RPIDXKIQPIOGFZ-UHFFFAOYSA-N 0 0 395.213 2.615 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](F)C1 ZINC000452348872 564406522 /nfs/dbraw/zinc/40/65/22/564406522.db2.gz ADFLDKWDARFLBM-QMMMGPOBSA-N 0 0 378.141 2.692 20 5 GFBDRN COc1cc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000512770225 564410434 /nfs/dbraw/zinc/41/04/34/564410434.db2.gz IDTQHHUABXBOOZ-UHFFFAOYSA-N 0 0 386.451 2.803 20 5 GFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[nH]cc1Br ZINC000545201999 564413055 /nfs/dbraw/zinc/41/30/55/564413055.db2.gz DRVNZLLLBRTUKZ-LLVKDONJSA-N 0 0 381.230 2.966 20 5 GFBDRN O=C(COc1ccc(I)cc1[N+](=O)[O-])NC1CCCC1 ZINC000478893897 564417880 /nfs/dbraw/zinc/41/78/80/564417880.db2.gz RVFWKRKAMGVAGM-UHFFFAOYSA-N 0 0 390.177 2.637 20 5 GFBDRN COC[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000568459916 564420295 /nfs/dbraw/zinc/42/02/95/564420295.db2.gz HYCUPAQANFJHEK-LLVKDONJSA-N 0 0 382.214 2.757 20 5 GFBDRN O=C(Cn1cc(Br)cn1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841395 564433930 /nfs/dbraw/zinc/43/39/30/564433930.db2.gz GZVNQGBNFWIIHX-ZDUSSCGKSA-N 0 0 393.241 2.960 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)c1 ZINC000546177187 564449129 /nfs/dbraw/zinc/44/91/29/564449129.db2.gz LKZFVDNLGITUSQ-UHFFFAOYSA-N 0 0 391.236 2.687 20 5 GFBDRN Cn1c(=O)cccc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000546444947 564455028 /nfs/dbraw/zinc/45/50/28/564455028.db2.gz IZOXEGXUWPIJIV-UHFFFAOYSA-N 0 0 391.181 2.697 20 5 GFBDRN CCS(=O)(=O)Cc1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000546511224 564457542 /nfs/dbraw/zinc/45/75/42/564457542.db2.gz VQLQNTTXMPNQAD-MRVPVSSYSA-N 0 0 375.790 2.706 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000480425856 564472710 /nfs/dbraw/zinc/47/27/10/564472710.db2.gz LCQLPPOZGDAMHZ-IONNQARKSA-N 0 0 386.323 2.704 20 5 GFBDRN O=C(NCC1=CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000453798404 564472828 /nfs/dbraw/zinc/47/28/28/564472828.db2.gz ISTFIYKSPRVTKT-UHFFFAOYSA-N 0 0 382.214 2.912 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCS(=O)(=O)CC1 ZINC000480593934 564479053 /nfs/dbraw/zinc/47/90/53/564479053.db2.gz IMVQTGOFOGJHGQ-UHFFFAOYSA-N 0 0 386.495 2.650 20 5 GFBDRN Cc1ccc(CSCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cc1 ZINC000515582642 564482743 /nfs/dbraw/zinc/48/27/43/564482743.db2.gz DHFZFBWRYLLYRT-UHFFFAOYSA-N 0 0 381.479 2.896 20 5 GFBDRN CCCN([C@@H](CC)C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480850609 564491609 /nfs/dbraw/zinc/49/16/09/564491609.db2.gz HJQSEGSSPUAHMK-ZDUSSCGKSA-N 0 0 392.861 2.991 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)NCc2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000516756354 564510518 /nfs/dbraw/zinc/51/05/18/564510518.db2.gz VVXHEXWFVNYOKN-UHFFFAOYSA-N 0 0 386.788 2.721 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000481569607 564517100 /nfs/dbraw/zinc/51/71/00/564517100.db2.gz LTCXFMKXUQSPAM-LBPRGKRZSA-N 0 0 386.495 2.507 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCOCC3(CC3)C2)c1 ZINC000570858677 564524238 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000500201125 564948368 /nfs/dbraw/zinc/94/83/68/564948368.db2.gz GPLNLZHUGKELCP-JTQLQIEISA-N 0 0 393.241 2.836 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000500201128 564948496 /nfs/dbraw/zinc/94/84/96/564948496.db2.gz GPLNLZHUGKELCP-SNVBAGLBSA-N 0 0 393.241 2.836 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cccc3c2OCCCO3)cc1[N+](=O)[O-] ZINC000467064219 564954682 /nfs/dbraw/zinc/95/46/82/564954682.db2.gz MMUCUHMJUFNEHZ-UHFFFAOYSA-N 0 0 384.435 2.605 20 5 GFBDRN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1csc([N+](=O)[O-])c1 ZINC000500540469 564956334 /nfs/dbraw/zinc/95/63/34/564956334.db2.gz JKBXVZWQKFKEHU-VIFPVBQESA-N 0 0 383.788 2.984 20 5 GFBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000500626165 564958289 /nfs/dbraw/zinc/95/82/89/564958289.db2.gz XXBCDWBMZJSNHC-JTQLQIEISA-N 0 0 379.214 2.527 20 5 GFBDRN CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467258669 564959153 /nfs/dbraw/zinc/95/91/53/564959153.db2.gz KJAXHYBUXRDKGG-UHFFFAOYSA-N 0 0 384.435 2.904 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000500680528 564959850 /nfs/dbraw/zinc/95/98/50/564959850.db2.gz KHZZHYWHFHKTML-CYBMUJFWSA-N 0 0 386.495 2.746 20 5 GFBDRN COC(=O)c1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467398077 564961666 /nfs/dbraw/zinc/96/16/66/564961666.db2.gz DYZGLDJEVVIEBY-UHFFFAOYSA-N 0 0 384.435 2.572 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000467402361 564962758 /nfs/dbraw/zinc/96/27/58/564962758.db2.gz RSCDROYEHVTYNT-HNNXBMFYSA-N 0 0 383.495 2.854 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000501157449 564972624 /nfs/dbraw/zinc/97/26/24/564972624.db2.gz KHZKENNVSPXLQD-GFCCVEGCSA-N 0 0 381.223 2.788 20 5 GFBDRN Cc1cccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000467918959 564974910 /nfs/dbraw/zinc/97/49/10/564974910.db2.gz MDGDPYWFUOZQGN-UHFFFAOYSA-N 0 0 378.226 2.962 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1nccs1 ZINC000534234167 564982948 /nfs/dbraw/zinc/98/29/48/564982948.db2.gz BNPGQZGAKUFUKH-UHFFFAOYSA-N 0 0 381.435 2.983 20 5 GFBDRN CN(C)S(=O)(=O)N1CCC[C@@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000561435253 564994901 /nfs/dbraw/zinc/99/49/01/564994901.db2.gz RMOZJKMLPBTYGT-SNVBAGLBSA-N 0 0 397.284 2.584 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143364 565005695 /nfs/dbraw/zinc/00/56/95/565005695.db2.gz RTTDXHIBECYTKW-YYUOZPCZSA-N 0 0 382.463 2.680 20 5 GFBDRN COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000469115534 565005983 /nfs/dbraw/zinc/00/59/83/565005983.db2.gz IGMUOLDEORKRJU-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000535161871 565006494 /nfs/dbraw/zinc/00/64/94/565006494.db2.gz NJIGCSSFTQLMFH-SSDOTTSWSA-N 0 0 385.193 2.889 20 5 GFBDRN CNC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1Br ZINC000561838837 565011447 /nfs/dbraw/zinc/01/14/47/565011447.db2.gz HBOXKBHEBKKRHP-UHFFFAOYSA-N 0 0 378.182 2.969 20 5 GFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000503472851 565020205 /nfs/dbraw/zinc/02/02/05/565020205.db2.gz VMCPVKNWPAGKJF-UHFFFAOYSA-N 0 0 384.841 2.789 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000503671362 565025559 /nfs/dbraw/zinc/02/55/59/565025559.db2.gz MRQUUOPLFRELMB-UHFFFAOYSA-N 0 0 395.213 2.608 20 5 GFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000503825200 565029034 /nfs/dbraw/zinc/02/90/34/565029034.db2.gz JCZQPJTUKAZGSJ-HNNXBMFYSA-N 0 0 382.825 2.844 20 5 GFBDRN CO[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000469935228 565032641 /nfs/dbraw/zinc/03/26/41/565032641.db2.gz LMZPJPGBHNACGR-LLVKDONJSA-N 0 0 399.163 2.983 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000536896652 565049327 /nfs/dbraw/zinc/04/93/27/565049327.db2.gz LDCJQXYJFGHZDB-PELKAZGASA-N 0 0 382.218 2.748 20 5 GFBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C2CC2)O1 ZINC000470694289 565053053 /nfs/dbraw/zinc/05/30/53/565053053.db2.gz PVEGPDVXEXFZOG-BONVTDFDSA-N 0 0 383.242 2.926 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC(F)(F)C1 ZINC000537376515 565057888 /nfs/dbraw/zinc/05/78/88/565057888.db2.gz FLLHNYUJEHSQTM-UHFFFAOYSA-N 0 0 382.104 2.681 20 5 GFBDRN C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000585759480 565109432 /nfs/dbraw/zinc/10/94/32/565109432.db2.gz AWXKKBZTOYZQPU-QPUJVOFHSA-N 0 0 388.193 2.502 20 5 GFBDRN C[C@@H](C(=O)NC1CC1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000587084264 565120792 /nfs/dbraw/zinc/12/07/92/565120792.db2.gz XOQSOQQXGDEMPS-JTQLQIEISA-N 0 0 387.267 2.691 20 5 GFBDRN CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000588858870 565141821 /nfs/dbraw/zinc/14/18/21/565141821.db2.gz HKDHRVOKLCWIPK-SUHUHFCYSA-N 0 0 383.246 2.811 20 5 GFBDRN Cc1cc(NCCCN2CCCS2(=O)=O)c(Br)cc1[N+](=O)[O-] ZINC000616058174 565186788 /nfs/dbraw/zinc/18/67/88/565186788.db2.gz QDMSIBQJLHCBOU-UHFFFAOYSA-N 0 0 392.275 2.503 20 5 GFBDRN Cc1cc(NCCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n(C)n1 ZINC000590537303 565190563 /nfs/dbraw/zinc/19/05/63/565190563.db2.gz GAQBDHYUHCJBIN-UHFFFAOYSA-N 0 0 396.245 2.550 20 5 GFBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000591197163 565218822 /nfs/dbraw/zinc/21/88/22/565218822.db2.gz FSTNHAACHUAOLR-UHFFFAOYSA-N 0 0 379.360 2.556 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592807984 565297936 /nfs/dbraw/zinc/29/79/36/565297936.db2.gz CDFJCKRXCUPPCT-NSHDSACASA-N 0 0 391.827 2.892 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592808780 565297963 /nfs/dbraw/zinc/29/79/63/565297963.db2.gz NNQCLSJPCVWBGH-JTQLQIEISA-N 0 0 390.184 2.523 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(n2cnnn2)CCCCC1 ZINC000593150297 565316651 /nfs/dbraw/zinc/31/66/51/565316651.db2.gz BEPWMSQBBINWQY-UHFFFAOYSA-N 0 0 395.217 2.642 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000619170509 565330948 /nfs/dbraw/zinc/33/09/48/565330948.db2.gz AHHXBZNYCBHVLK-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN COCC1(CS(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000593568523 565342400 /nfs/dbraw/zinc/34/24/00/565342400.db2.gz IVAFOUVTGYNZID-HNNXBMFYSA-N 0 0 386.495 2.789 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000619487011 565343630 /nfs/dbraw/zinc/34/36/30/565343630.db2.gz SAYDXEYIWMPKBE-CYBMUJFWSA-N 0 0 383.451 2.798 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000619493727 565344373 /nfs/dbraw/zinc/34/43/73/565344373.db2.gz KJDPAPWKPNGJNR-JTQLQIEISA-N 0 0 384.435 2.605 20 5 GFBDRN CN(Cc1cn(-c2cccc(Br)c2)nn1)c1cccnc1[N+](=O)[O-] ZINC000619505735 565346336 /nfs/dbraw/zinc/34/63/36/565346336.db2.gz QRIZTBWKKVCOOC-UHFFFAOYSA-N 0 0 389.213 2.969 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000593627107 565349386 /nfs/dbraw/zinc/34/93/86/565349386.db2.gz QBSZRJLITNXWBV-UHFFFAOYSA-N 0 0 382.335 2.958 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593626947 565349540 /nfs/dbraw/zinc/34/95/40/565349540.db2.gz NNFZUFGZVRTKBO-UHFFFAOYSA-N 0 0 382.335 2.958 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C3CCC3)CC2)c(Br)c1 ZINC000593644030 565351787 /nfs/dbraw/zinc/35/17/87/565351787.db2.gz LEJMPMOTJIXKIC-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593665832 565354728 /nfs/dbraw/zinc/35/47/28/565354728.db2.gz KVUGMNWGTGQJOD-LLVKDONJSA-N 0 0 397.197 2.777 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@@H]2COC[C@H](C1)O2 ZINC000619747445 565357799 /nfs/dbraw/zinc/35/77/99/565357799.db2.gz GFPORIZTGNAFKV-PHIMTYICSA-N 0 0 380.198 2.510 20 5 GFBDRN COc1ccc2c(c1)OCCN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000619796599 565360156 /nfs/dbraw/zinc/36/01/56/565360156.db2.gz FJKITCXGCRPDNC-UHFFFAOYSA-N 0 0 384.435 2.557 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488219 565395702 /nfs/dbraw/zinc/39/57/02/565395702.db2.gz QRXSPYFVYXUVCK-GXFFZTMASA-N 0 0 382.360 2.682 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594850166 565429548 /nfs/dbraw/zinc/42/95/48/565429548.db2.gz CGWIQGPWGAMOGP-JTQLQIEISA-N 0 0 385.186 2.681 20 5 GFBDRN O=C1NCC[C@@H]1CCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000594897484 565434680 /nfs/dbraw/zinc/43/46/80/565434680.db2.gz CZRBNUYKTIKZDK-SECBINFHSA-N 0 0 380.198 2.811 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595399353 565473475 /nfs/dbraw/zinc/47/34/75/565473475.db2.gz VPKOBTATILEVMV-WDEREUQCSA-N 0 0 382.360 2.634 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]1c1ccc(Br)cc1 ZINC000595846230 565493707 /nfs/dbraw/zinc/49/37/07/565493707.db2.gz XUICHKXTROACFF-OAHLLOKOSA-N 0 0 378.226 2.966 20 5 GFBDRN Nc1nccc([C@@H]2CCCN(c3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC000596214217 565514974 /nfs/dbraw/zinc/51/49/74/565514974.db2.gz PNMCXIGEJABCLT-SNVBAGLBSA-N 0 0 378.230 2.944 20 5 GFBDRN C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000596215665 565514988 /nfs/dbraw/zinc/51/49/88/565514988.db2.gz RKYKBPUYJUJMBX-LURJTMIESA-N 0 0 396.372 2.891 20 5 GFBDRN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000596210075 565515659 /nfs/dbraw/zinc/51/56/59/565515659.db2.gz FKQHLJJGMNRDCG-VIFPVBQESA-N 0 0 375.734 2.746 20 5 GFBDRN CS(=O)(=O)CC1(Cc2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000596610850 565529563 /nfs/dbraw/zinc/52/95/63/565529563.db2.gz JIQABXQRAHLHRA-UHFFFAOYSA-N 0 0 385.829 2.589 20 5 GFBDRN Nc1c(NC(=O)NC2CCN(CC(F)F)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094924 565552020 /nfs/dbraw/zinc/55/20/20/565552020.db2.gz KPBSWRLONFQMCQ-UHFFFAOYSA-N 0 0 377.779 2.681 20 5 GFBDRN O=[N+]([O-])c1cccnc1N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000597149620 565552953 /nfs/dbraw/zinc/55/29/53/565552953.db2.gz MZOWAERXEOJNAP-UHFFFAOYSA-N 0 0 396.220 2.609 20 5 GFBDRN 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GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000292491916 563788375 /nfs/dbraw/zinc/78/83/75/563788375.db2.gz MSZRORCQDLSHSN-JTQLQIEISA-N 0 0 386.246 2.640 20 5 GFBDRN CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000443161742 563793970 /nfs/dbraw/zinc/79/39/70/563793970.db2.gz UYKHTMDFPQDFLG-STQMWFEESA-N 0 0 393.259 2.593 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CO)c2c(F)cccc2F)c(Cl)c1 ZINC000443290981 563799430 /nfs/dbraw/zinc/79/94/30/563799430.db2.gz ZXGZOZXMKWCAAN-GFCCVEGCSA-N 0 0 392.767 2.538 20 5 GFBDRN C[C@H]1CC[C@@H](C(N)=O)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443444544 563805157 /nfs/dbraw/zinc/80/51/57/563805157.db2.gz OVBJKLBAHSQLED-VHSXEESVSA-N 0 0 393.241 2.996 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000366541764 563812738 /nfs/dbraw/zinc/81/27/38/563812738.db2.gz ULULJAHPNCGPFB-HWPZZCPQSA-N 0 0 399.241 2.686 20 5 GFBDRN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938005 563815596 /nfs/dbraw/zinc/81/55/96/563815596.db2.gz VGPNPHUXSYSTQD-JVXZTZIISA-N 0 0 388.339 2.998 20 5 GFBDRN Cc1c(Cl)cccc1S(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000443970973 563816803 /nfs/dbraw/zinc/81/68/03/563816803.db2.gz JZHZRZNEUNAOEN-UHFFFAOYSA-N 0 0 380.813 2.911 20 5 GFBDRN CCOC[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416411649 563824968 /nfs/dbraw/zinc/82/49/68/563824968.db2.gz AHIMROVEXDGDPR-SNVBAGLBSA-N 0 0 382.360 2.661 20 5 GFBDRN C[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000416431242 563827805 /nfs/dbraw/zinc/82/78/05/563827805.db2.gz GZHQTZADOWTQEB-VIFPVBQESA-N 0 0 382.360 2.802 20 5 GFBDRN CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416436221 563828670 /nfs/dbraw/zinc/82/86/70/563828670.db2.gz IACCKZQFKKVUHT-LBPRGKRZSA-N 0 0 384.376 2.641 20 5 GFBDRN CCC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416437127 563828774 /nfs/dbraw/zinc/82/87/74/563828774.db2.gz GCPDBRPGHOKHGY-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN C[C@H](O)CC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459541 563832038 /nfs/dbraw/zinc/83/20/38/563832038.db2.gz SDQQFCZYALLFGK-VIFPVBQESA-N 0 0 384.376 2.689 20 5 GFBDRN CS(=O)(=O)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000294266570 563836951 /nfs/dbraw/zinc/83/69/51/563836951.db2.gz PRIJHNCQSYMDQR-UHFFFAOYSA-N 0 0 382.463 2.706 20 5 GFBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)nc1Cl ZINC000294384721 563840871 /nfs/dbraw/zinc/84/08/71/563840871.db2.gz PKKVXIOZWULCLK-ZETCQYMHSA-N 0 0 377.710 2.736 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000367363193 563842312 /nfs/dbraw/zinc/84/23/12/563842312.db2.gz MLBHZXCDJYFPBT-BZNIZROVSA-N 0 0 399.241 2.734 20 5 GFBDRN Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000367388846 563843177 /nfs/dbraw/zinc/84/31/77/563843177.db2.gz RQGOLHJKFUKSPM-NSHDSACASA-N 0 0 398.192 2.602 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000416563481 563849306 /nfs/dbraw/zinc/84/93/06/563849306.db2.gz RMRNZXDIVXULEF-UBHAPETDSA-N 0 0 375.244 2.824 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000416569346 563849728 /nfs/dbraw/zinc/84/97/28/563849728.db2.gz LEDVSYPRYAOPFZ-VIFPVBQESA-N 0 0 378.472 2.563 20 5 GFBDRN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000416609068 563853100 /nfs/dbraw/zinc/85/31/00/563853100.db2.gz UBOOHPZETCEXKS-UTLUCORTSA-N 0 0 382.360 2.705 20 5 GFBDRN COC1([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416623616 563854121 /nfs/dbraw/zinc/85/41/21/563854121.db2.gz YGROCIXFVQBXAW-VIFPVBQESA-N 0 0 382.360 2.850 20 5 GFBDRN COc1cc(S(=O)(=O)N[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000367932190 563859502 /nfs/dbraw/zinc/85/95/02/563859502.db2.gz QJOYOAZJVXRZKS-LBPRGKRZSA-N 0 0 383.451 2.724 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3OCC[C@H]3C2)c(Cl)cc1Cl ZINC000368142902 563865003 /nfs/dbraw/zinc/86/50/03/563865003.db2.gz NLQYBGFTUSLFRD-QPUJVOFHSA-N 0 0 381.237 2.701 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368133934 563865136 /nfs/dbraw/zinc/86/51/36/563865136.db2.gz KHSIFHOYMFOIQL-HNNXBMFYSA-N 0 0 376.862 2.586 20 5 GFBDRN CCOC(=O)c1nnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000447329033 563880140 /nfs/dbraw/zinc/88/01/40/563880140.db2.gz GKIJNRBWBSYXLV-UHFFFAOYSA-N 0 0 382.423 2.662 20 5 GFBDRN CCOC(=O)C(=C(O)CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108935 563894225 /nfs/dbraw/zinc/89/42/25/563894225.db2.gz SBRNSQUWHMSMMC-CYBMUJFWSA-N 0 0 381.435 2.763 20 5 GFBDRN Cn1cc(CNCc2n[nH]cc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538414924 564189680 /nfs/dbraw/zinc/18/96/80/564189680.db2.gz QAZLTOJUTDBNCH-UHFFFAOYSA-N 0 0 391.229 2.771 20 5 GFBDRN CN(C(=O)C(C)(C)S(C)(=O)=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539355146 564216756 /nfs/dbraw/zinc/21/67/56/564216756.db2.gz INQNPFBYLVTRFE-UHFFFAOYSA-N 0 0 383.451 2.504 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000539386432 564218432 /nfs/dbraw/zinc/21/84/32/564218432.db2.gz AQDKBAOUPFIIBW-LBPRGKRZSA-N 0 0 383.813 2.835 20 5 GFBDRN O=C(NCc1ccccc1Br)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472632017 564230303 /nfs/dbraw/zinc/23/03/03/564230303.db2.gz TZSWTEVNRZLQOH-UHFFFAOYSA-N 0 0 396.172 2.751 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCOCC23CCC3)c1 ZINC000564392758 564231358 /nfs/dbraw/zinc/23/13/58/564231358.db2.gz CMXCAUZLKHCNGV-UHFFFAOYSA-N 0 0 388.205 2.954 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(NCc2nn(C)cc2I)c1 ZINC000450850324 564251204 /nfs/dbraw/zinc/25/12/04/564251204.db2.gz YQSWTTYROUWYKP-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000540929253 564260489 /nfs/dbraw/zinc/26/04/89/564260489.db2.gz WYMQWRYQHHQVMH-UHFFFAOYSA-N 0 0 394.181 2.598 20 5 GFBDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000508401914 564262467 /nfs/dbraw/zinc/26/24/67/564262467.db2.gz TURFXOMJWRUECI-UHFFFAOYSA-N 0 0 391.185 2.733 20 5 GFBDRN CO[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000541115268 564266567 /nfs/dbraw/zinc/26/65/67/564266567.db2.gz ZBEMQYZXAFOCFS-CQSZACIVSA-N 0 0 385.829 2.695 20 5 GFBDRN O=[N+]([O-])c1ccn(Cc2nc(Cc3cc(F)cc(Br)c3)no2)n1 ZINC000508622859 564268515 /nfs/dbraw/zinc/26/85/15/564268515.db2.gz ZAFVGCFVHVFXDC-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000541248092 564270455 /nfs/dbraw/zinc/27/04/55/564270455.db2.gz ZJLDNSVGBBELSP-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN Cc1nc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(Br)s1 ZINC000565194803 564270928 /nfs/dbraw/zinc/27/09/28/564270928.db2.gz NVHMNZMFPARHRC-UHFFFAOYSA-N 0 0 383.227 2.716 20 5 GFBDRN CCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000474350612 564274878 /nfs/dbraw/zinc/27/48/78/564274878.db2.gz MNGAQXSPNVDOFL-UHFFFAOYSA-N 0 0 380.198 2.720 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2)no1 ZINC000474329010 564275069 /nfs/dbraw/zinc/27/50/69/564275069.db2.gz HWDJOAAEWMQFPB-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN Cc1cc(C)cc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000474354710 564275794 /nfs/dbraw/zinc/27/57/94/564275794.db2.gz NNBLFXQBIYWCOX-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN C[C@@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1O ZINC000509310632 564292113 /nfs/dbraw/zinc/29/21/13/564292113.db2.gz MUIHJRBXHFIBAG-OQPBUACISA-N 0 0 385.207 2.540 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000476354686 564336983 /nfs/dbraw/zinc/33/69/83/564336983.db2.gz MKGXSMXBOXAKGJ-UHFFFAOYSA-N 0 0 381.230 2.798 20 5 GFBDRN CC[C@@H](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451680751 564339536 /nfs/dbraw/zinc/33/95/36/564339536.db2.gz MSUBZZVFIBRKDA-BXKDBHETSA-N 0 0 395.275 2.697 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000543149049 564339997 /nfs/dbraw/zinc/33/99/97/564339997.db2.gz VDAPIBURYQIJGN-UHFFFAOYSA-N 0 0 377.198 2.762 20 5 GFBDRN C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000566807691 564344535 /nfs/dbraw/zinc/34/45/35/564344535.db2.gz GHWBLDDJWFDJFL-UWVGGRQHSA-N 0 0 379.467 2.703 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000476644950 564349318 /nfs/dbraw/zinc/34/93/18/564349318.db2.gz CLLRSNKOCMBWLI-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649903 564350401 /nfs/dbraw/zinc/35/04/01/564350401.db2.gz UWRNUEOMJVPXIT-VIFPVBQESA-N 0 0 379.214 2.678 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](c3nncn3C)C2)ncc1[N+](=O)[O-] ZINC000543449721 564351369 /nfs/dbraw/zinc/35/13/69/564351369.db2.gz PNXPOVRPMBILDL-SNVBAGLBSA-N 0 0 381.234 2.573 20 5 GFBDRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451858618 564359358 /nfs/dbraw/zinc/35/93/58/564359358.db2.gz RXNXDDMBRVQFAZ-SMDDNHRTSA-N 0 0 378.878 2.816 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543840862 564365737 /nfs/dbraw/zinc/36/57/37/564365737.db2.gz YTXPZQLIFSQTIT-HNNXBMFYSA-N 0 0 394.225 2.914 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000451957279 564372184 /nfs/dbraw/zinc/37/21/84/564372184.db2.gz FFBVNZGCSUPVGE-DZGCQCFKSA-N 0 0 382.463 2.996 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000544079877 564373377 /nfs/dbraw/zinc/37/33/77/564373377.db2.gz XEGXBLLNXKBSHJ-NSHDSACASA-N 0 0 394.225 2.705 20 5 GFBDRN COc1ccc(Br)cc1-c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000544134110 564376327 /nfs/dbraw/zinc/37/63/27/564376327.db2.gz NGBOMQSVSZKRKV-UHFFFAOYSA-N 0 0 380.158 2.816 20 5 GFBDRN CCOC(=O)CN(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000511984277 564387647 /nfs/dbraw/zinc/38/76/47/564387647.db2.gz WYWXVRFQYZZRAB-UHFFFAOYSA-N 0 0 380.344 2.727 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000478903869 564419021 /nfs/dbraw/zinc/41/90/21/564419021.db2.gz RPOHRCKASBOUGV-ONGXEEELSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000568802475 564435631 /nfs/dbraw/zinc/43/56/31/564435631.db2.gz DELMSTNJEKRASG-AWEZNQCLSA-N 0 0 383.495 2.854 20 5 GFBDRN CCOC(=O)CC(C)(C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479445224 564440738 /nfs/dbraw/zinc/44/07/38/564440738.db2.gz ZGBRJRDPMPHGSS-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN Cc1c(CN[C@@H](C(N)=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000479491609 564442360 /nfs/dbraw/zinc/44/23/60/564442360.db2.gz UCJLOWHGENRCBQ-OAHLLOKOSA-N 0 0 378.226 2.982 20 5 GFBDRN COCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000546066287 564442599 /nfs/dbraw/zinc/44/25/99/564442599.db2.gz CTUZQXSKAZQYLO-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN Cn1cc(Br)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312650 564453054 /nfs/dbraw/zinc/45/30/54/564453054.db2.gz VPVBEIMWSBMIKV-DGCLKSJQSA-N 0 0 383.250 2.561 20 5 GFBDRN CC[C@H](C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379054 564477608 /nfs/dbraw/zinc/47/76/08/564477608.db2.gz FVRPAYXDBWKJFE-ONGXEEELSA-N 0 0 378.834 2.504 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2c(Cl)cccc2OC)c([N+](=O)[O-])c1 ZINC000480709035 564483517 /nfs/dbraw/zinc/48/35/17/564483517.db2.gz MPWPNDOEJMBMRB-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1cc(Br)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000569996223 564487009 /nfs/dbraw/zinc/48/70/09/564487009.db2.gz YAUDDXSLPJCOMC-UHFFFAOYSA-N 0 0 387.621 2.946 20 5 GFBDRN Cn1cc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000547411802 564487749 /nfs/dbraw/zinc/48/77/49/564487749.db2.gz IRPNCQHGLMJNHA-UHFFFAOYSA-N 0 0 381.230 2.685 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000481082018 564503163 /nfs/dbraw/zinc/50/31/63/564503163.db2.gz QCEHHJHTLDABGJ-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CSc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000516797266 564512797 /nfs/dbraw/zinc/51/27/97/564512797.db2.gz HNZOZOQHHDQJFE-UHFFFAOYSA-N 0 0 380.447 2.520 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000481897843 564527080 /nfs/dbraw/zinc/52/70/80/564527080.db2.gz UVTNGHXVTLJBDA-UHFFFAOYSA-N 0 0 381.845 2.787 20 5 GFBDRN COC(=O)c1cc(OCC(=O)NCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000481960482 564530082 /nfs/dbraw/zinc/53/00/82/564530082.db2.gz JWKAUQZBOJDIAK-UHFFFAOYSA-N 0 0 384.797 2.792 20 5 GFBDRN C[C@@H](CC[S@](C)=O)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000482007556 564531400 /nfs/dbraw/zinc/53/14/00/564531400.db2.gz PPVYIOKABKQJOO-AUADJRAKSA-N 0 0 386.271 2.896 20 5 GFBDRN COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000517413871 564533781 /nfs/dbraw/zinc/53/37/81/564533781.db2.gz HGEJWSDBKFSBQF-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCc3n[nH]cc32)c1 ZINC000571217404 564541098 /nfs/dbraw/zinc/54/10/98/564541098.db2.gz ZJLTZQWNDAOMEQ-UHFFFAOYSA-N 0 0 384.177 2.875 20 5 GFBDRN Nc1nccc(C(=O)NCCCOc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000548387974 564550860 /nfs/dbraw/zinc/55/08/60/564550860.db2.gz CVLSXPRPJKRRMK-UHFFFAOYSA-N 0 0 385.207 2.908 20 5 GFBDRN NC(=O)NC1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000571459228 564552524 /nfs/dbraw/zinc/55/25/24/564552524.db2.gz RXRKYPVIUKHAAC-UHFFFAOYSA-N 0 0 394.229 2.543 20 5 GFBDRN CCO[C@@H]1C[C@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000518891646 564564625 /nfs/dbraw/zinc/56/46/25/564564625.db2.gz PATHKOBRWJJCOM-CHWSQXEVSA-N 0 0 385.207 2.995 20 5 GFBDRN CCO[C@H]1C[C@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000518891647 564564815 /nfs/dbraw/zinc/56/48/15/564564815.db2.gz PATHKOBRWJJCOM-OLZOCXBDSA-N 0 0 385.207 2.995 20 5 GFBDRN O=C(NCc1cn2ccccc2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000483851854 564576355 /nfs/dbraw/zinc/57/63/55/564576355.db2.gz BDSUSBNOFYJKPU-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCSCC1 ZINC000549025142 564584306 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CNc1nccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000572733705 564608493 /nfs/dbraw/zinc/60/84/93/564608493.db2.gz JYFHTCIKQAUTMX-RKDXNWHRSA-N 0 0 397.254 2.563 20 5 GFBDRN Cc1c(NS(=O)(=O)N2CCC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000485397662 564614699 /nfs/dbraw/zinc/61/46/99/564614699.db2.gz XVKOIJKUUMLXIE-MRVPVSSYSA-N 0 0 378.248 2.807 20 5 GFBDRN CN(CCc1cccc(Br)c1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000485448598 564615862 /nfs/dbraw/zinc/61/58/62/564615862.db2.gz CQTDPIBJDNXLGL-UHFFFAOYSA-N 0 0 395.257 2.990 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](COCC2CC2)C1 ZINC000485553730 564619560 /nfs/dbraw/zinc/61/95/60/564619560.db2.gz AQGMFSNCHIOKLS-HNNXBMFYSA-N 0 0 399.241 2.625 20 5 GFBDRN CCCc1[nH]nc(C(=O)Nc2cc(N(C)C)c(Br)cn2)c1[N+](=O)[O-] ZINC000456682408 564624358 /nfs/dbraw/zinc/62/43/58/564624358.db2.gz XILMMKMGOSPPRG-UHFFFAOYSA-N 0 0 397.233 2.746 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC(=O)NC1CCCCC1 ZINC000550646484 564627921 /nfs/dbraw/zinc/62/79/21/564627921.db2.gz HDWWHOJHMALXKI-UHFFFAOYSA-N 0 0 398.257 2.844 20 5 GFBDRN C[S@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000551170471 564640288 /nfs/dbraw/zinc/64/02/88/564640288.db2.gz TVZTVCRCGLKIHH-QHCPKHFHSA-N 0 0 388.854 2.928 20 5 GFBDRN O=C(N=c1ccn(CC(F)(F)F)[nH]1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486329183 564648852 /nfs/dbraw/zinc/64/88/52/564648852.db2.gz XFSBCVZBUGLZTD-UHFFFAOYSA-N 0 0 399.148 2.852 20 5 GFBDRN CSc1cccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000486482974 564654075 /nfs/dbraw/zinc/65/40/75/564654075.db2.gz BYCMBBUZYAVTJX-UHFFFAOYSA-N 0 0 381.435 2.941 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000457280697 564654395 /nfs/dbraw/zinc/65/43/95/564654395.db2.gz QISGJMSHNQPJOV-HZMBPMFUSA-N 0 0 396.241 2.549 20 5 GFBDRN CC(C)COC[C@H](O)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000486934222 564670700 /nfs/dbraw/zinc/67/07/00/564670700.db2.gz JZILDPQQVJYLDB-GFCCVEGCSA-N 0 0 398.257 2.773 20 5 GFBDRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000524131005 564677575 /nfs/dbraw/zinc/67/75/75/564677575.db2.gz XOVZBTKBYZSECL-UHFFFAOYSA-N 0 0 377.158 2.723 20 5 GFBDRN O=C(Cn1cc(Nc2ccc(Br)cc2[N+](=O)[O-])cn1)NC1CC1 ZINC000524265567 564679417 /nfs/dbraw/zinc/67/94/17/564679417.db2.gz UWKIFYGWPOYRCW-UHFFFAOYSA-N 0 0 380.202 2.576 20 5 GFBDRN COCCN(Cc1scnc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000487416418 564687364 /nfs/dbraw/zinc/68/73/64/564687364.db2.gz WZKUPWHCDAOLBP-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN CSc1ccc(C(=O)NCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000552375424 564688029 /nfs/dbraw/zinc/68/80/29/564688029.db2.gz PPHGYDUULDAPJF-UHFFFAOYSA-N 0 0 385.243 2.706 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000575334796 564696415 /nfs/dbraw/zinc/69/64/15/564696415.db2.gz RBFNGZSUSHANOY-GXTWGEPZSA-N 0 0 381.226 2.998 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000525381736 564699803 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C[S@](=O)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000553742023 564734141 /nfs/dbraw/zinc/73/41/41/564734141.db2.gz YNUXUPXELADPIS-VWLOTQADSA-N 0 0 380.853 2.986 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CC(C)(C)Sc3ccccc32)c([N+](=O)[O-])n1 ZINC000527292300 564736919 /nfs/dbraw/zinc/73/69/19/564736919.db2.gz IIUDLRMYURRVMR-UHFFFAOYSA-N 0 0 382.467 2.891 20 5 GFBDRN Cc1nccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1Br ZINC000527340508 564740608 /nfs/dbraw/zinc/74/06/08/564740608.db2.gz SOGFCGRRYLHPBS-UHFFFAOYSA-N 0 0 380.198 2.890 20 5 GFBDRN CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000579261224 564746324 /nfs/dbraw/zinc/74/63/24/564746324.db2.gz AMNNISTZVWKPBY-JTQLQIEISA-N 0 0 384.230 2.944 20 5 GFBDRN Cc1nnc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)o1 ZINC000579650265 564749953 /nfs/dbraw/zinc/74/99/53/564749953.db2.gz YNGMQMGXERGNAP-SSDOTTSWSA-N 0 0 388.165 2.742 20 5 GFBDRN O=C(NC[C@@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000490400013 564770107 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2.951 20 5 GFBDRN CC(C)(C(=O)NCCn1cc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000581147824 564789890 /nfs/dbraw/zinc/78/98/90/564789890.db2.gz SJABXJDSCJQESN-UHFFFAOYSA-N 0 0 381.230 2.648 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000581175917 564791131 /nfs/dbraw/zinc/79/11/31/564791131.db2.gz HVBWRYHBABPCLO-GXTWGEPZSA-N 0 0 381.226 2.998 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](CO)C1CCCCC1 ZINC000555413692 564792620 /nfs/dbraw/zinc/79/26/20/564792620.db2.gz YUGBPJGXCXXPEW-LBPRGKRZSA-N 0 0 376.862 2.715 20 5 GFBDRN COC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555843020 564806145 /nfs/dbraw/zinc/80/61/45/564806145.db2.gz VVCVKJQQCFTHFI-CYBMUJFWSA-N 0 0 387.230 2.983 20 5 GFBDRN COc1c(S(=O)(=O)NC2CCCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493504896 564808768 /nfs/dbraw/zinc/80/87/68/564808768.db2.gz ULXCYKHRGDHRAH-UHFFFAOYSA-N 0 0 393.259 2.895 20 5 GFBDRN CN(CC(=O)NCc1cccs1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000493920756 564814298 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Cc1c(CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cnn1C ZINC000560102243 564950155 /nfs/dbraw/zinc/95/01/55/564950155.db2.gz ZTMJYVGETSWOMX-UHFFFAOYSA-N 0 0 381.230 2.980 20 5 GFBDRN O=C(CN1CCC[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182076 564952374 /nfs/dbraw/zinc/95/23/74/564952374.db2.gz CFMPZKMXFGQDMO-HUUCEWRRSA-N 0 0 398.257 2.939 20 5 GFBDRN COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000467062497 564954127 /nfs/dbraw/zinc/95/41/27/564954127.db2.gz ZDGVRAGIPQBJOG-LBPRGKRZSA-N 0 0 390.483 2.755 20 5 GFBDRN COc1c(C)cnc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000467401768 564962845 /nfs/dbraw/zinc/96/28/45/564962845.db2.gz PBMYEIWXFMBWFZ-UHFFFAOYSA-N 0 0 385.467 2.806 20 5 GFBDRN CNC(=O)C1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501082918 564969882 /nfs/dbraw/zinc/96/98/82/564969882.db2.gz KLQJSJHOCWEIEA-UHFFFAOYSA-N 0 0 399.245 2.784 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501096027 564970771 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(Oc2ccncc2)C1 ZINC000610667265 566092513 /nfs/dbraw/zinc/09/25/13/566092513.db2.gz CGLXKRZMGRUTJM-UHFFFAOYSA-N 0 0 392.209 2.585 20 5 GFBDRN O=C(CCCc1cccc(Br)c1)NCCn1cc([N+](=O)[O-])cn1 ZINC000610869409 566103597 /nfs/dbraw/zinc/10/35/97/566103597.db2.gz ZXOBTAMOKMTKCS-UHFFFAOYSA-N 0 0 381.230 2.693 20 5 GFBDRN O=[N+]([O-])c1cnccc1NCc1ccc(Br)cc1N1CCOCC1 ZINC000610909583 566104832 /nfs/dbraw/zinc/10/48/32/566104832.db2.gz ZIBVROQVQXKXOR-UHFFFAOYSA-N 0 0 393.241 2.623 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)Cc2cc(Cl)ccc2F)cc1 ZINC000610898735 566105070 /nfs/dbraw/zinc/10/50/70/566105070.db2.gz XLFHYXFQRXJQLS-UHFFFAOYSA-N 0 0 388.804 2.886 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000611106029 566115198 /nfs/dbraw/zinc/11/51/98/566115198.db2.gz NSRZNYXCNDUPOX-LLVKDONJSA-N 0 0 386.861 2.716 20 5 GFBDRN CS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611201286 566120628 /nfs/dbraw/zinc/12/06/28/566120628.db2.gz 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607331499 /nfs/dbraw/zinc/33/14/99/607331499.db2.gz JFMDEXFKSZAKLC-LLVKDONJSA-N 0 0 376.442 2.632 20 5 GFBDRN O=C(NCCSCc1ccccc1-c1nn[nH]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000738085870 598376552 /nfs/dbraw/zinc/37/65/52/598376552.db2.gz OMDWKBZPZJHGLC-UHFFFAOYSA-N 0 0 399.436 2.830 20 5 GFBDRN COc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1OC ZINC000737086900 598387743 /nfs/dbraw/zinc/38/77/43/598387743.db2.gz KBVQIHZPWJIJAU-LLVKDONJSA-N 0 0 384.396 2.835 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000821122871 607355797 /nfs/dbraw/zinc/35/57/97/607355797.db2.gz ABITVFJIADWWTJ-UHFFFAOYSA-N 0 0 399.415 2.696 20 5 GFBDRN CC(C)OCCOCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000735904890 598500238 /nfs/dbraw/zinc/50/02/38/598500238.db2.gz VRFSBUXWFZEWKV-UHFFFAOYSA-N 0 0 399.411 2.855 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000737372677 598578761 /nfs/dbraw/zinc/57/87/61/598578761.db2.gz HTYNYSHIMRTTAU-MRXNPFEDSA-N 0 0 394.391 2.658 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2ccc(Br)cc2F)c(-c2nn[nH]n2)c1 ZINC000738373368 598680517 /nfs/dbraw/zinc/68/05/17/598680517.db2.gz BBZVDBDWVIBGEP-UHFFFAOYSA-N 0 0 394.164 2.684 20 5 GFBDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737919191 599343501 /nfs/dbraw/zinc/34/35/01/599343501.db2.gz PPKIJMUULONQRP-UHFFFAOYSA-N 0 0 389.755 2.551 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000738368430 599393277 /nfs/dbraw/zinc/39/32/77/599393277.db2.gz DJIHBRYZPRSRRJ-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820397198 599516904 /nfs/dbraw/zinc/51/69/04/599516904.db2.gz MTGPWKQRSSINNM-LLVKDONJSA-N 0 0 393.407 2.840 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821983247 599538288 /nfs/dbraw/zinc/53/82/88/599538288.db2.gz FDCKROZLCAQJCX-SNVBAGLBSA-N 0 0 384.421 2.988 20 5 GFBDRN Cc1ncsc1CN(C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822482299 599547124 /nfs/dbraw/zinc/54/71/24/599547124.db2.gz PAOZEVDOABSTFX-UHFFFAOYSA-N 0 0 382.409 2.724 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000821745384 607409603 /nfs/dbraw/zinc/40/96/03/607409603.db2.gz SVCPEDWLOMPNNR-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN COc1cc(CC[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000737882302 600419405 /nfs/dbraw/zinc/41/94/05/600419405.db2.gz YLLQFTLWDIWTMY-QGZVFWFLSA-N 0 0 378.356 2.709 20 5 GFBDRN CCC(CC)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825097094 607451791 /nfs/dbraw/zinc/45/17/91/607451791.db2.gz SYTRSDFGHBTMBD-UHFFFAOYSA-N 0 0 387.444 2.614 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)cc1-c1nn[nH]n1 ZINC000826498589 607452531 /nfs/dbraw/zinc/45/25/31/607452531.db2.gz BPCJLNMAHZBLCV-UHFFFAOYSA-N 0 0 385.331 2.905 20 5 GFBDRN C[C@@H](NC(=O)[O-])[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000738998758 602273842 /nfs/dbraw/zinc/27/38/42/602273842.db2.gz FRVOMZJOOIYDFW-BXUZGUMPSA-N 0 0 375.385 2.655 20 5 GFBDRN Cc1cc(N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891011 602316958 /nfs/dbraw/zinc/31/69/58/602316958.db2.gz HMXUUVXVAZSJFB-KXBFYZLASA-N 0 0 399.447 2.846 20 5 GFBDRN Cc1cccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[nH]n1 ZINC000826303827 607659529 /nfs/dbraw/zinc/65/95/29/607659529.db2.gz HJASNPBYRFMPBK-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829880621 604258168 /nfs/dbraw/zinc/25/81/68/604258168.db2.gz ILJGHKXITBGYJG-UONOGXRCSA-N 0 0 378.429 2.600 20 5 GFBDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000833421372 604929430 /nfs/dbraw/zinc/92/94/30/604929430.db2.gz LSJUCPMYNGGEGT-ZDUSSCGKSA-N 0 0 391.424 2.716 20 5 GFBDRN C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833616198 605019966 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GRGCVJMPCOEARI-UHFFFAOYSA-N 0 0 396.411 2.767 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1cccc(Br)c1 ZINC000823624783 606703788 /nfs/dbraw/zinc/70/37/88/606703788.db2.gz JITIPOQLDHPRAJ-UHFFFAOYSA-N 0 0 376.174 2.545 20 5 GFBDRN Cc1ccc(C[C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822234868 606705091 /nfs/dbraw/zinc/70/50/91/606705091.db2.gz JUEQFPXYQRKHDU-OAHLLOKOSA-N 0 0 379.424 2.937 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621151 606712983 /nfs/dbraw/zinc/71/29/83/606712983.db2.gz XDGAYTFQEIZEMF-KCJUWKMLSA-N 0 0 375.751 2.930 20 5 GFBDRN COc1cccc(C=C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000821862759 606724682 /nfs/dbraw/zinc/72/46/82/606724682.db2.gz DWSUREXKODLURQ-UHFFFAOYSA-N 0 0 393.407 2.862 20 5 GFBDRN CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1Cl ZINC000821679281 606880679 /nfs/dbraw/zinc/88/06/79/606880679.db2.gz ZHJYYVWIMPRAQM-ZDUSSCGKSA-N 0 0 375.776 2.623 20 5 GFBDRN 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O=[N+]([O-])c1c(F)cccc1NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000826497436 609167169 /nfs/dbraw/zinc/16/71/69/609167169.db2.gz HITBTSDGVSUFKZ-UHFFFAOYSA-N 0 0 380.343 2.916 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1sccc1-c1nn[nH]n1 ZINC000826455505 609239531 /nfs/dbraw/zinc/23/95/31/609239531.db2.gz QYEBWSAQYGNZBU-UHFFFAOYSA-N 0 0 395.198 2.851 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1C1CC1 ZINC000826450841 609510982 /nfs/dbraw/zinc/51/09/82/609510982.db2.gz FYYAUIIBEDYMQV-UHFFFAOYSA-N 0 0 385.771 2.953 20 5 GFBDRN CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825252574 609598049 /nfs/dbraw/zinc/59/80/49/609598049.db2.gz JIGJXPYYRQFUTD-MWLCHTKSSA-N 0 0 394.819 2.962 20 5 GFBDRN CC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184554 609598166 /nfs/dbraw/zinc/59/81/66/609598166.db2.gz WASOJZGPSKEQOU-PSASIEDQSA-N 0 0 380.792 2.572 20 5 GFBDRN C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ncc(Br)cn1 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GFBDRN O=C(NC[C@H]1CC2(CO1)CCOCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000825401593 660425573 /nfs/dbraw/zinc/42/55/73/660425573.db2.gz DGQIIJTUGCOISR-LLVKDONJSA-N 0 0 399.241 2.673 20 5 GFBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C12CCC2 ZINC000826072539 660449056 /nfs/dbraw/zinc/44/90/56/660449056.db2.gz PZKFSAMTEMOTCZ-NWDGAFQWSA-N 0 0 384.230 2.830 20 5 GFBDRN CO[C@@H](CS(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C)C1CCOCC1 ZINC000827169608 660482282 /nfs/dbraw/zinc/48/22/82/660482282.db2.gz CMJWSTOBHOAQIX-HNNXBMFYSA-N 0 0 393.845 2.707 20 5 GFBDRN CO[C@@H](CS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000827502512 660499641 /nfs/dbraw/zinc/49/96/41/660499641.db2.gz LXDSGTYQWKNBNE-LBPRGKRZSA-N 0 0 382.232 2.737 20 5 GFBDRN CC(C)(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1O ZINC000827873264 660521076 /nfs/dbraw/zinc/52/10/76/660521076.db2.gz QGZLUXBHSBKTCP-PWSUYJOCSA-N 0 0 386.246 2.621 20 5 GFBDRN Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1C ZINC000609110272 651610583 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383.242 2.663 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000869458262 662647572 /nfs/dbraw/zinc/64/75/72/662647572.db2.gz QFOREHKASXWNGE-BLLLJJGKSA-N 0 0 383.242 2.521 20 5 GFBDRN O=C(O[C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1Br ZINC000869471028 662648223 /nfs/dbraw/zinc/64/82/23/662648223.db2.gz VFCUKAHLGAIRHX-LBPRGKRZSA-N 0 0 383.198 2.668 20 5 GFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000870790200 662701863 /nfs/dbraw/zinc/70/18/63/662701863.db2.gz OSJFIWMOZWPNSW-DTWKUNHWSA-N 0 0 384.713 2.559 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000872615093 662780950 /nfs/dbraw/zinc/78/09/50/662780950.db2.gz ZCLNREZRMKIJPR-XVKPBYJWSA-N 0 0 388.389 2.695 20 5 GFBDRN CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662107 662784231 /nfs/dbraw/zinc/78/42/31/662784231.db2.gz BQVVRDMHZSGTGD-VXGBXAGGSA-N 0 0 394.280 2.759 20 5 GFBDRN CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000872667685 662784399 /nfs/dbraw/zinc/78/43/99/662784399.db2.gz LMYGUBTURYUBJV-UHFFFAOYSA-N 0 0 385.186 2.823 20 5 GFBDRN CCOC(=O)[C@@H](C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000874726193 662835990 /nfs/dbraw/zinc/83/59/90/662835990.db2.gz STRDSGGTEVEIIK-JTQLQIEISA-N 0 0 399.241 2.557 20 5 GFBDRN CCOC(=O)[C@H](C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000874726195 662836003 /nfs/dbraw/zinc/83/60/03/662836003.db2.gz STRDSGGTEVEIIK-SNVBAGLBSA-N 0 0 399.241 2.557 20 5 GFBDRN CCOC(=O)[C@H](C)C1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000874728383 662836004 /nfs/dbraw/zinc/83/60/04/662836004.db2.gz PAZRADBWWNQSKJ-SNVBAGLBSA-N 0 0 386.857 2.998 20 5 GFBDRN COc1cc(I)ccc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000877559583 662878776 /nfs/dbraw/zinc/87/87/76/662878776.db2.gz PEFMJVOWIXREBU-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN O=C(CN1CCO[C@H](C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880048470 662947278 /nfs/dbraw/zinc/94/72/78/662947278.db2.gz PHOFKDUXDKFONC-LBPRGKRZSA-N 0 0 381.738 2.840 20 5 GFBDRN O=C(NCc1cc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000880615282 662964086 /nfs/dbraw/zinc/96/40/86/662964086.db2.gz BTTUJILAEOJZAC-UHFFFAOYSA-N 0 0 379.214 2.820 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C2 ZINC000882019095 663013833 /nfs/dbraw/zinc/01/38/33/663013833.db2.gz JPTGGTZFHXOLLU-LLVKDONJSA-N 0 0 379.265 2.867 20 5 GFBDRN O=[N+]([O-])c1c(Br)cc(F)cc1NCC1CCS(=O)(=O)CC1 ZINC000882135295 663017846 /nfs/dbraw/zinc/01/78/46/663017846.db2.gz WCFCIMDIKJOSLE-UHFFFAOYSA-N 0 0 381.223 2.733 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000882194184 663020252 /nfs/dbraw/zinc/02/02/52/663020252.db2.gz FBDDAIJUKGKGEN-VIFPVBQESA-N 0 0 384.788 2.601 20 5 GFBDRN C[C@H]1CN(c2cc(F)cc(Br)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000882387290 663026513 /nfs/dbraw/zinc/02/65/13/663026513.db2.gz YSDXLRZZAUTBHL-YUMQZZPRSA-N 0 0 381.223 2.508 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000882568866 663031974 /nfs/dbraw/zinc/03/19/74/663031974.db2.gz QQFDREDFFPTICU-OIBJUYFYSA-N 0 0 388.314 2.750 20 5 GFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CF)C1 ZINC000882628697 663034104 /nfs/dbraw/zinc/03/41/04/663034104.db2.gz VLFVTHWJIDWTMX-VIFPVBQESA-N 0 0 381.223 2.646 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CNS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000882666895 663035739 /nfs/dbraw/zinc/03/57/39/663035739.db2.gz RWTOQMPZVPJJCW-VIFPVBQESA-N 0 0 399.213 2.822 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CO[C@@H](C2CC2)C1 ZINC000883796697 663060976 /nfs/dbraw/zinc/06/09/76/663060976.db2.gz KNCWJFLXZAKYON-TZMCWYRMSA-N 0 0 384.230 2.724 20 5 GFBDRN COc1ccc(Br)c([C@H](CO)N(C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886229244 663105451 /nfs/dbraw/zinc/10/54/51/663105451.db2.gz NDGFKJSLYRMRKZ-HNNXBMFYSA-N 0 0 396.241 2.926 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000886368077 663109096 /nfs/dbraw/zinc/10/90/96/663109096.db2.gz ZYOYDFCIVBGCKF-HTQZYQBOSA-N 0 0 391.243 2.833 20 5 GFBDRN COc1ccc(OC(=O)c2nn3c(c2Br)CCC3)c([N+](=O)[O-])c1 ZINC000887660728 663156937 /nfs/dbraw/zinc/15/69/37/663156937.db2.gz XDISVMHGYWJSID-UHFFFAOYSA-N 0 0 382.170 2.728 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000887837639 663164494 /nfs/dbraw/zinc/16/44/94/663164494.db2.gz LLSJLZVKFCYZQN-QWHCGFSZSA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CCOC1 ZINC000888598051 663207094 /nfs/dbraw/zinc/20/70/94/663207094.db2.gz XEBCXVZSGICEGH-LLVKDONJSA-N 0 0 395.213 2.696 20 5 GFBDRN C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000889716227 663258314 /nfs/dbraw/zinc/25/83/14/663258314.db2.gz PFIJGQBWNLUPOX-NXEZZACHSA-N 0 0 386.246 2.516 20 5 GFBDRN Cc1c(CN(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000889721993 663260582 /nfs/dbraw/zinc/26/05/82/663260582.db2.gz QSINETOJHJBVNI-UHFFFAOYSA-N 0 0 396.245 2.741 20 5 GFBDRN C[C@H](O)C[C@@H]1CCCN1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726803 663261432 /nfs/dbraw/zinc/26/14/32/663261432.db2.gz YJVVZTOFZPKYFX-GWCFXTLKSA-N 0 0 386.246 2.802 20 5 GFBDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000891298413 663334445 /nfs/dbraw/zinc/33/44/45/663334445.db2.gz RSCCBZDKVLHGPO-PWSUYJOCSA-N 0 0 399.241 2.748 20 5 GFBDRN C[C@@]1(Br)C[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000892101590 663361607 /nfs/dbraw/zinc/36/16/07/663361607.db2.gz OIERJFZWSJFPIB-XJKSGUPXSA-N 0 0 382.258 2.526 20 5 GFBDRN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000894839210 663484540 /nfs/dbraw/zinc/48/45/40/663484540.db2.gz QXYAKBUZNYCVNN-QMTHXVAHSA-N 0 0 387.230 2.529 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000895065812 663497857 /nfs/dbraw/zinc/49/78/57/663497857.db2.gz IEHIPNYEZVCQAX-QWRGUYRKSA-N 0 0 381.841 2.667 20 5 GFBDRN COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000895706301 663523927 /nfs/dbraw/zinc/52/39/27/663523927.db2.gz BQXZCFNNRAEYEU-LLVKDONJSA-N 0 0 380.202 2.892 20 5 GFBDRN COC(=O)N1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895803692 663528019 /nfs/dbraw/zinc/52/80/19/663528019.db2.gz BVLHBOADFRRZGA-UHFFFAOYSA-N 0 0 380.159 2.565 20 5 GFBDRN Cc1nn(C)c(N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000896319073 663551071 /nfs/dbraw/zinc/55/10/71/663551071.db2.gz LGILBUGRWNBRFG-INIZCTEOSA-N 0 0 395.257 2.887 20 5 GFBDRN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896427422 663556895 /nfs/dbraw/zinc/55/68/95/663556895.db2.gz AKINBXNMXLVFNR-JTQLQIEISA-N 0 0 390.198 2.924 20 5 GFBDRN Cc1cc(N2CCC(CN3CCNC3=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000896850166 663579369 /nfs/dbraw/zinc/57/93/69/663579369.db2.gz JNZRZRZFYRKPJK-UHFFFAOYSA-N 0 0 397.273 2.907 20 5 GFBDRN Cc1c(Br)c(NC[C@]2(c3cnn(C)c3)CCCO2)ncc1[N+](=O)[O-] ZINC000897259330 663597029 /nfs/dbraw/zinc/59/70/29/663597029.db2.gz ZLJWFZLSEKJIRP-HNNXBMFYSA-N 0 0 396.245 2.912 20 5 GFBDRN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCO[C@@]2(CCOC2)C1 ZINC000897416269 663604972 /nfs/dbraw/zinc/60/49/72/663604972.db2.gz UTFWMIZKNRMBMO-AWEZNQCLSA-N 0 0 379.171 2.672 20 5 GFBDRN CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897779218 663620313 /nfs/dbraw/zinc/62/03/13/663620313.db2.gz MNOXYUIGVMSVEM-QMMMGPOBSA-N 0 0 378.187 2.639 20 5 GFBDRN CO[C@H]1COCC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897892597 663624509 /nfs/dbraw/zinc/62/45/09/663624509.db2.gz OJKTVYLUQYEDMP-XVKPBYJWSA-N 0 0 381.187 2.822 20 5 GFBDRN CC[C@H]1COCCN1CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000899194822 663679490 /nfs/dbraw/zinc/67/94/90/663679490.db2.gz KNMADGVZGVAUJW-VIFPVBQESA-N 0 0 394.230 2.881 20 5 GFBDRN O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000899234030 663680487 /nfs/dbraw/zinc/68/04/87/663680487.db2.gz DCXXGUVOACTASJ-MRVPVSSYSA-N 0 0 390.198 2.781 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000899608168 663695648 /nfs/dbraw/zinc/69/56/48/663695648.db2.gz KBUQIMNBBNQKTR-GFCCVEGCSA-N 0 0 397.147 2.744 20 5 GFBDRN CCCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000900322142 663712272 /nfs/dbraw/zinc/71/22/72/663712272.db2.gz BZLGCSDIWLYLHL-LLVKDONJSA-N 0 0 392.836 2.817 20 5 GFBDRN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900460929 663714976 /nfs/dbraw/zinc/71/49/76/663714976.db2.gz QLXWVTVJYRWUSN-LBPRGKRZSA-N 0 0 389.836 2.769 20 5 GFBDRN C[C@H](C(=O)N[C@H]1CCc2ncc(Br)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000900919467 663724421 /nfs/dbraw/zinc/72/44/21/663724421.db2.gz CXADGGPCSIUIHJ-JQWIXIFHSA-N 0 0 393.241 2.789 20 5 GFBDRN Cc1cc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)ccc1[N+](=O)[O-] ZINC000900933458 663726862 /nfs/dbraw/zinc/72/68/62/663726862.db2.gz YINJHMFFMWLBOO-LLVKDONJSA-N 0 0 379.214 2.607 20 5 GFBDRN CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000901043445 663729386 /nfs/dbraw/zinc/72/93/86/663729386.db2.gz WSTGZLBWIQNYDK-SECBINFHSA-N 0 0 397.186 2.691 20 5 GFBDRN COC(=O)c1cc(NCc2cn(C)nc2[N+](=O)[O-])c(C)cc1Br ZINC000902052702 663754666 /nfs/dbraw/zinc/75/46/66/663754666.db2.gz DIZLLAJJAVFTGB-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN Cc1nn(C)c(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1Br ZINC000902230908 663757396 /nfs/dbraw/zinc/75/73/96/663757396.db2.gz LUHCQUJJJNPXNS-UHFFFAOYSA-N 0 0 383.202 2.783 20 5 GFBDRN C[C@@H](N[C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000903326849 663782132 /nfs/dbraw/zinc/78/21/32/663782132.db2.gz URZLRRVDHKCJFW-YMTOWFKASA-N 0 0 391.225 2.966 20 5 GFBDRN O=C([O-])C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000904002912 663816472 /nfs/dbraw/zinc/81/64/72/663816472.db2.gz GWDWMEMBWHJKJO-GFCCVEGCSA-N 0 0 390.177 2.542 20 5 GFBDRN Cc1c(Br)cc(-c2nc(-c3ccc[nH]c3=O)no2)cc1[N+](=O)[O-] ZINC000904749903 663843465 /nfs/dbraw/zinc/84/34/65/663843465.db2.gz HNQGXGUMLRZICR-VIFPVBQESA-N 0 0 377.154 2.967 20 5 GFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nnn(C)c1C(F)(F)F ZINC000905597462 663880335 /nfs/dbraw/zinc/88/03/35/663880335.db2.gz WKJZLQXDNDHVDR-UHFFFAOYSA-N 0 0 377.710 2.668 20 5 GFBDRN O=C(NC1(c2ncc(Br)cn2)CCC1)c1ccccc1[N+](=O)[O-] ZINC000906462484 663950389 /nfs/dbraw/zinc/95/03/89/663950389.db2.gz JMJMVWBSWYIGTK-UHFFFAOYSA-N 0 0 377.198 2.957 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000908132341 664086545 /nfs/dbraw/zinc/08/65/45/664086545.db2.gz QPWJSXPCQHSOQQ-ZDUSSCGKSA-N 0 0 381.479 2.921 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)c(C)cc1[N+](=O)[O-] ZINC000908133160 664086741 /nfs/dbraw/zinc/08/67/41/664086741.db2.gz XQFOAGIJLLTVLA-CYBMUJFWSA-N 0 0 381.479 2.921 20 5 GFBDRN CC(C)(C)C(=O)NCCC(=O)OCc1c(Br)cccc1[N+](=O)[O-] ZINC000908719965 664123690 /nfs/dbraw/zinc/12/36/90/664123690.db2.gz INBYFXHCKZSAQC-UHFFFAOYSA-N 0 0 387.230 2.953 20 5 GFBDRN CO[C@@H]1COCC[C@@H]1CC(=O)OCc1c(Br)cccc1[N+](=O)[O-] ZINC000909367796 664154596 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O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC(CCO)C1 ZINC000539420124 564219310 /nfs/dbraw/zinc/21/93/10/564219310.db2.gz MOLRCTHRJZABMD-UHFFFAOYSA-N 0 0 385.207 2.542 20 5 GFBDRN COc1cc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])ncc1Br ZINC000539555479 564222613 /nfs/dbraw/zinc/22/26/13/564222613.db2.gz HYLDKLCAGUHBHD-UHFFFAOYSA-N 0 0 398.213 2.812 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000539749366 564226812 /nfs/dbraw/zinc/22/68/12/564226812.db2.gz FGPKHGNWDDNSFQ-UHFFFAOYSA-N 0 0 396.197 2.800 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c(Br)c1 ZINC000564409173 564232615 /nfs/dbraw/zinc/23/26/15/564232615.db2.gz FHVIEZYYJOXKMU-VIFPVBQESA-N 0 0 389.149 2.683 20 5 GFBDRN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000507676443 564238946 /nfs/dbraw/zinc/23/89/46/564238946.db2.gz MKAFWLOQLYVRCD-SECBINFHSA-N 0 0 385.193 2.960 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2nc(C)c(Br)s2)n1 ZINC000450614459 564242197 /nfs/dbraw/zinc/24/21/97/564242197.db2.gz NRHDHQARRUWVEV-UHFFFAOYSA-N 0 0 387.215 2.916 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000450903949 564254976 /nfs/dbraw/zinc/25/49/76/564254976.db2.gz LSWGELWTEQAVBT-GFCCVEGCSA-N 0 0 387.230 2.746 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000508840118 564273824 /nfs/dbraw/zinc/27/38/24/564273824.db2.gz BSUPMJYXSNIHHA-UHFFFAOYSA-N 0 0 383.857 2.822 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)CCc1ccccc1 ZINC000541386767 564276722 /nfs/dbraw/zinc/27/67/22/564276722.db2.gz SALYDSGTTASTFG-CQSZACIVSA-N 0 0 384.841 2.520 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000541803225 564289724 /nfs/dbraw/zinc/28/97/24/564289724.db2.gz GYXRLGWTLGFXBM-CYBMUJFWSA-N 0 0 381.226 2.821 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000542218718 564305169 /nfs/dbraw/zinc/30/51/69/564305169.db2.gz TZNHRKQFQJQISX-NXEZZACHSA-N 0 0 386.246 2.617 20 5 GFBDRN Cc1c(Br)c(NCc2cccnc2-n2cccn2)ncc1[N+](=O)[O-] ZINC000542508100 564316630 /nfs/dbraw/zinc/31/66/30/564316630.db2.gz WLTPSFASJORCJO-UHFFFAOYSA-N 0 0 389.213 2.675 20 5 GFBDRN CC(=O)N[C@@H](C)C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000475742267 564316940 /nfs/dbraw/zinc/31/69/40/564316940.db2.gz NPSTWNBXDLLTGU-JTQLQIEISA-N 0 0 385.262 2.802 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000542584860 564318961 /nfs/dbraw/zinc/31/89/61/564318961.db2.gz PJEIIUVMQIKCOB-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000476068736 564327322 /nfs/dbraw/zinc/32/73/22/564327322.db2.gz ATLCAYSPFXJGOY-UHFFFAOYSA-N 0 0 381.230 2.798 20 5 GFBDRN C[C@H]1C[C@@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CO1 ZINC000566621996 564335106 /nfs/dbraw/zinc/33/51/06/564335106.db2.gz OTGNBOUDBZTIQA-DTWKUNHWSA-N 0 0 385.207 2.995 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CO1 ZINC000566621998 564335374 /nfs/dbraw/zinc/33/53/74/564335374.db2.gz OTGNBOUDBZTIQA-IUCAKERBSA-N 0 0 385.207 2.995 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000543148313 564339937 /nfs/dbraw/zinc/33/99/37/564339937.db2.gz CHCFXTUVWYLZAW-UHFFFAOYSA-N 0 0 381.142 2.519 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476562722 564345228 /nfs/dbraw/zinc/34/52/28/564345228.db2.gz DEROFBMLVUNZDE-XPTSAGLGSA-N 0 0 390.845 2.519 20 5 GFBDRN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000510811141 564347376 /nfs/dbraw/zinc/34/73/76/564347376.db2.gz GJXOAIMJIKXNDM-UHFFFAOYSA-N 0 0 391.185 2.578 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000451748554 564347956 /nfs/dbraw/zinc/34/79/56/564347956.db2.gz YTFNVCCMOFDWAO-HNNXBMFYSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c(Br)c(NCc2ccc(C(=O)N(C)C)cc2)ncc1[N+](=O)[O-] ZINC000543434703 564350788 /nfs/dbraw/zinc/35/07/88/564350788.db2.gz FTHHIDYWJVEABB-UHFFFAOYSA-N 0 0 393.241 2.797 20 5 GFBDRN Cc1ccc(CN(C)S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000476927993 564359510 /nfs/dbraw/zinc/35/95/10/564359510.db2.gz CFTCQNMOBSXSJX-UHFFFAOYSA-N 0 0 384.435 2.557 20 5 GFBDRN COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000476956402 564360250 /nfs/dbraw/zinc/36/02/50/564360250.db2.gz FTZYKHSXJFGXFA-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000511152347 564360415 /nfs/dbraw/zinc/36/04/15/564360415.db2.gz AOHDFLJGUGKQCB-LBPRGKRZSA-N 0 0 376.862 2.776 20 5 GFBDRN CC(F)(F)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567339045 564367356 /nfs/dbraw/zinc/36/73/56/564367356.db2.gz SWZCGZKKOUUFIX-UHFFFAOYSA-N 0 0 384.120 2.975 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCCn3ccnc3)CC2)s1 ZINC000543978520 564370367 /nfs/dbraw/zinc/37/03/67/564370367.db2.gz RJDBREMBNGEYSA-UHFFFAOYSA-N 0 0 384.483 2.734 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ncc(Br)s3)C2)nc1 ZINC000544009858 564371698 /nfs/dbraw/zinc/37/16/98/564371698.db2.gz TWXHBJHBJXJAKZ-VIFPVBQESA-N 0 0 384.259 2.895 20 5 GFBDRN Cc1cccc(OC[C@H](O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000544042399 564372589 /nfs/dbraw/zinc/37/25/89/564372589.db2.gz FAELHLGOIJTAEX-GFCCVEGCSA-N 0 0 397.225 2.576 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1S(C)(=O)=O ZINC000544052139 564372845 /nfs/dbraw/zinc/37/28/45/564372845.db2.gz YFBQUZCXPYUSQK-UHFFFAOYSA-N 0 0 380.447 2.753 20 5 GFBDRN Cc1c(Br)c(NCCCOCC2CCOCC2)ncc1[N+](=O)[O-] ZINC000544394888 564384693 /nfs/dbraw/zinc/38/46/93/564384693.db2.gz WBHBZQWBFCLGPS-UHFFFAOYSA-N 0 0 388.262 2.728 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000544548718 564388473 /nfs/dbraw/zinc/38/84/73/564388473.db2.gz DHJFWTNMGJITMX-UHFFFAOYSA-N 0 0 383.813 2.844 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000477930142 564390859 /nfs/dbraw/zinc/39/08/59/564390859.db2.gz VLYZARCUCYVXDT-YMTOWFKASA-N 0 0 397.229 2.597 20 5 GFBDRN CS(=O)(=O)c1cccc(Cl)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000544633510 564391914 /nfs/dbraw/zinc/39/19/14/564391914.db2.gz MLFFJDAMWMFANR-UHFFFAOYSA-N 0 0 384.841 2.820 20 5 GFBDRN COC(=O)c1cnc(Sc2n[nH]c(Cc3cccs3)n2)c([N+](=O)[O-])c1 ZINC000478288867 564398721 /nfs/dbraw/zinc/39/87/21/564398721.db2.gz KYXQMSJICQYGIC-UHFFFAOYSA-N 0 0 377.407 2.698 20 5 GFBDRN CCC(CC)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000512496559 564404609 /nfs/dbraw/zinc/40/46/09/564404609.db2.gz VJBNMFRCHVRWOU-UHFFFAOYSA-N 0 0 387.230 2.748 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(COC[C@@H]3CCOC3)n2)c(Br)c1 ZINC000545012675 564407246 /nfs/dbraw/zinc/40/72/46/564407246.db2.gz DZNCAMHWRUUAQL-SNVBAGLBSA-N 0 0 398.213 2.884 20 5 GFBDRN CO[C@@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000545099701 564408867 /nfs/dbraw/zinc/40/88/67/564408867.db2.gz KIXPSQOPHXYTBG-GFCCVEGCSA-N 0 0 394.185 2.877 20 5 GFBDRN CC(C)COC[C@@H](O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478670829 564412216 /nfs/dbraw/zinc/41/22/16/564412216.db2.gz CAKQAAADPLDITQ-LLVKDONJSA-N 0 0 395.193 2.612 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000478900111 564418279 /nfs/dbraw/zinc/41/82/79/564418279.db2.gz TUHSAIRMGLBQPZ-ONGXEEELSA-N 0 0 382.360 2.955 20 5 GFBDRN CC(C)[C@H](C)NC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478906755 564418811 /nfs/dbraw/zinc/41/88/11/564418811.db2.gz ZLSVYFUTZHYBLL-VIFPVBQESA-N 0 0 392.193 2.739 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000513335586 564426757 /nfs/dbraw/zinc/42/67/57/564426757.db2.gz IDRIBAQXBLEDGO-HNNXBMFYSA-N 0 0 380.447 2.941 20 5 GFBDRN CSc1ccc(N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000513474937 564430029 /nfs/dbraw/zinc/43/00/29/564430029.db2.gz FMTZBIYNOSMNPY-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000513813784 564439626 /nfs/dbraw/zinc/43/96/26/564439626.db2.gz LGVXABCUJZXUAJ-UHFFFAOYSA-N 0 0 384.797 2.860 20 5 GFBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513838780 564441345 /nfs/dbraw/zinc/44/13/45/564441345.db2.gz XRTPCVXRUYJIEL-STQMWFEESA-N 0 0 386.495 2.745 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(NCc2nnn(CC(F)(F)F)n2)c1 ZINC000453106087 564446524 /nfs/dbraw/zinc/44/65/24/564446524.db2.gz DAZQCIKIFMGALF-UHFFFAOYSA-N 0 0 381.112 2.518 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000569065733 564447267 /nfs/dbraw/zinc/44/72/67/564447267.db2.gz KOZXXURRDZPKLY-RYUDHWBXSA-N 0 0 379.214 2.860 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000546172244 564447570 /nfs/dbraw/zinc/44/75/70/564447570.db2.gz MTYPZRAWQAEAKU-CYBMUJFWSA-N 0 0 381.841 2.805 20 5 GFBDRN Nc1c([N+](=O)[O-])cnn1Cc1ccc(I)cc1Cl ZINC000479718802 564448617 /nfs/dbraw/zinc/44/86/17/564448617.db2.gz MOIMNGPHFKTADT-UHFFFAOYSA-N 0 0 378.557 2.680 20 5 GFBDRN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602013 564451115 /nfs/dbraw/zinc/45/11/15/564451115.db2.gz CZWQSDXNQSPVDL-SCZZXKLOSA-N 0 0 382.269 2.697 20 5 GFBDRN C[C@H](CCNS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000514616578 564451417 /nfs/dbraw/zinc/45/14/17/564451417.db2.gz AYOKEMRRZDXCCR-LLVKDONJSA-N 0 0 384.845 2.812 20 5 GFBDRN C[C@H](NCc1nn(C)cc1I)c1ccc([N+](=O)[O-])cc1 ZINC000453390486 564456168 /nfs/dbraw/zinc/45/61/68/564456168.db2.gz XYUACIBVXJGMIB-VIFPVBQESA-N 0 0 386.193 2.784 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(-c2nc(-c3ccon3)no2)c1 ZINC000546486306 564456812 /nfs/dbraw/zinc/45/68/12/564456812.db2.gz SOTAQYQMPJBCQE-UHFFFAOYSA-N 0 0 384.089 2.904 20 5 GFBDRN CCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000569321251 564458107 /nfs/dbraw/zinc/45/81/07/564458107.db2.gz IDLLGAKFTNFZFE-UHFFFAOYSA-N 0 0 379.316 2.643 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(Br)o2)cc1 ZINC000480287877 564467531 /nfs/dbraw/zinc/46/75/31/564467531.db2.gz RFBXIVDMZDXHSG-UHFFFAOYSA-N 0 0 389.227 2.514 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)ccc32)cc([N+](=O)[O-])c1 ZINC000515318951 564475219 /nfs/dbraw/zinc/47/52/19/564475219.db2.gz YLJWXXCIZKWMSP-UHFFFAOYSA-N 0 0 380.809 2.855 20 5 GFBDRN CCS[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000481084138 564503251 /nfs/dbraw/zinc/50/32/51/564503251.db2.gz UEGDOOACVVAJGT-MRVPVSSYSA-N 0 0 392.484 2.674 20 5 GFBDRN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000547758093 564509538 /nfs/dbraw/zinc/50/95/38/564509538.db2.gz WRVRBLKOSKMJFE-UHFFFAOYSA-N 0 0 391.185 2.578 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)n1 ZINC000481712207 564521015 /nfs/dbraw/zinc/52/10/15/564521015.db2.gz NIQLLCOWAWCFDZ-UHFFFAOYSA-N 0 0 380.451 2.629 20 5 GFBDRN O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccc(Br)cn1 ZINC000481899471 564526857 /nfs/dbraw/zinc/52/68/57/564526857.db2.gz PLJPXWHBBHDMJT-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482053455 564532481 /nfs/dbraw/zinc/53/24/81/564532481.db2.gz GOAIJIOFCBUISL-OAHLLOKOSA-N 0 0 397.204 2.960 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCSC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000571317865 564545622 /nfs/dbraw/zinc/54/56/22/564545622.db2.gz PAYQIXUYGBDQIH-ZDUSSCGKSA-N 0 0 385.511 2.934 20 5 GFBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H]1C ZINC000571651019 564561186 /nfs/dbraw/zinc/56/11/86/564561186.db2.gz ZOEJVAGLGBPHQZ-KOLCDFICSA-N 0 0 385.214 2.689 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000518842870 564563901 /nfs/dbraw/zinc/56/39/01/564563901.db2.gz JRKFWIVLIBWQOL-ZDUSSCGKSA-N 0 0 384.845 2.697 20 5 GFBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455824376 564572986 /nfs/dbraw/zinc/57/29/86/564572986.db2.gz SFWDCDLFUUKIJX-NWDGAFQWSA-N 0 0 386.495 2.745 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@H](CO)c1cccnc1 ZINC000549194566 564587947 /nfs/dbraw/zinc/58/79/47/564587947.db2.gz OHLFMAKGNQESPU-LLVKDONJSA-N 0 0 399.188 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CCSc1nnc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000465077668 564923085 /nfs/dbraw/zinc/92/30/85/564923085.db2.gz JLMZYLJADUNIDN-UHFFFAOYSA-N 0 0 382.423 2.511 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000499868383 564938970 /nfs/dbraw/zinc/93/89/70/564938970.db2.gz IIOJTOFWBFXMHG-YPMHNXCESA-N 0 0 383.495 2.503 20 5 GFBDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000560112782 564950095 /nfs/dbraw/zinc/95/00/95/564950095.db2.gz YGUBZGJMFKQAPV-WPRPVWTQSA-N 0 0 387.230 2.983 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000467043398 564954179 /nfs/dbraw/zinc/95/41/79/564954179.db2.gz FOCYFLXGYISYSE-GFCCVEGCSA-N 0 0 384.483 2.578 20 5 GFBDRN O=C(NCC[C@H](O)C(F)(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501086569 564970212 /nfs/dbraw/zinc/97/02/12/564970212.db2.gz RDQQJHNOINRDPK-VIFPVBQESA-N 0 0 386.124 2.792 20 5 GFBDRN O=C(NCCc1cnc(C2CC2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000533698219 564971055 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C[C@H]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561297942 564990187 /nfs/dbraw/zinc/99/01/87/564990187.db2.gz SDHMDAWAENXLQF-CABZTGNLSA-N 0 0 384.230 2.943 20 5 GFBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(Br)c1OC ZINC000502007287 564990275 /nfs/dbraw/zinc/99/02/75/564990275.db2.gz VNKNKUIQMGVYKQ-UHFFFAOYSA-N 0 0 384.186 2.633 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000561391877 564993920 /nfs/dbraw/zinc/99/39/20/564993920.db2.gz LGABBDUBIBLSLB-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000561397953 564993996 /nfs/dbraw/zinc/99/39/96/564993996.db2.gz JWOFFNVOBJAAIC-HNNXBMFYSA-N 0 0 382.825 2.745 20 5 GFBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000561540019 565000529 /nfs/dbraw/zinc/00/05/29/565000529.db2.gz ZOGZIVCZWPMIQD-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1cnc3ccsc3c1)C2 ZINC000535249105 565008997 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000614573238 565120559 /nfs/dbraw/zinc/12/05/59/565120559.db2.gz RAZWLALMDZVFEO-BXKDBHETSA-N 0 0 375.244 2.920 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC(C(F)(F)F)C2)c2ncccc12 ZINC000588145372 565128884 /nfs/dbraw/zinc/12/88/84/565128884.db2.gz WXMTUDUQYQQNSE-UHFFFAOYSA-N 0 0 375.328 2.762 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000589295586 565160441 /nfs/dbraw/zinc/16/04/41/565160441.db2.gz TVSJITVZCRMOQJ-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN CO[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000591328146 565225226 /nfs/dbraw/zinc/22/52/26/565225226.db2.gz OEPPIGBZEHIWEB-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC000591786699 565239955 /nfs/dbraw/zinc/23/99/55/565239955.db2.gz XKONPOJNXYBRDO-QUBYGPBYSA-N 0 0 385.136 2.707 20 5 GFBDRN C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](O)C(F)(F)F ZINC000591784260 565240441 /nfs/dbraw/zinc/24/04/41/565240441.db2.gz HESUERLNOAVAKB-RDDDGLTNSA-N 0 0 375.328 2.760 20 5 GFBDRN O=[N+]([O-])c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000592370494 565272428 /nfs/dbraw/zinc/27/24/28/565272428.db2.gz BKPPBLQLCHTOPJ-CYBMUJFWSA-N 0 0 382.825 2.573 20 5 GFBDRN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188877 565318752 /nfs/dbraw/zinc/31/87/52/565318752.db2.gz DQSDBZBNYNGTQN-IWSPIJDZSA-N 0 0 376.276 2.972 20 5 GFBDRN O=C(CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000618896871 565320349 /nfs/dbraw/zinc/32/03/49/565320349.db2.gz BLKXBNVAZMCXSO-UHFFFAOYSA-N 0 0 387.267 2.646 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000593487032 565336694 /nfs/dbraw/zinc/33/66/94/565336694.db2.gz LEGQXQMJCPGNSU-UHFFFAOYSA-N 0 0 377.413 2.861 20 5 GFBDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547516 565340592 /nfs/dbraw/zinc/34/05/92/565340592.db2.gz 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ZINC000595164582 565453007 /nfs/dbraw/zinc/45/30/07/565453007.db2.gz NKBNZHPUWVNKNW-BFVZDQMLSA-N 0 0 396.241 2.848 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595358884 565468450 /nfs/dbraw/zinc/46/84/50/565468450.db2.gz ZGGFRIKNJOHVMB-NXEZZACHSA-N 0 0 375.244 2.696 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1C ZINC000595394512 565472332 /nfs/dbraw/zinc/47/23/32/565472332.db2.gz GIGQYMIEDDYQGU-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000595394055 565473137 /nfs/dbraw/zinc/47/31/37/565473137.db2.gz CBLSXLYNORWWIV-VIFPVBQESA-N 0 0 388.751 2.590 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595405058 565474861 /nfs/dbraw/zinc/47/48/61/565474861.db2.gz RYHOYPDWRXVTSK-IYBDPMFKSA-N 0 0 386.857 2.830 20 5 GFBDRN O=[N+]([O-])c1ccn(CCN2CCOC[C@H]2c2cccc(Br)c2)n1 ZINC000595758623 565490917 /nfs/dbraw/zinc/49/09/17/565490917.db2.gz BPVMRONVQHPKAI-AWEZNQCLSA-N 0 0 381.230 2.627 20 5 GFBDRN CC1(C)CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000596208667 565515963 /nfs/dbraw/zinc/51/59/63/565515963.db2.gz UWABAQWWTBQRIU-GFCCVEGCSA-N 0 0 381.376 2.657 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCc1scnc1C ZINC000596252879 565516912 /nfs/dbraw/zinc/51/69/12/565516912.db2.gz MUBRSKWQCXHLCE-UHFFFAOYSA-N 0 0 384.483 2.703 20 5 GFBDRN CS(=O)(=O)CC1(Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000596611562 565529676 /nfs/dbraw/zinc/52/96/76/565529676.db2.gz NQVWDJPMSNCEPV-UHFFFAOYSA-N 0 0 383.451 2.637 20 5 GFBDRN Cc1[nH][nH]c(=NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1Br ZINC000597731219 565572965 /nfs/dbraw/zinc/57/29/65/565572965.db2.gz IGZVMJDGNDOBEB-UHFFFAOYSA-N 0 0 394.229 2.663 20 5 GFBDRN Cc1nn(C)c(C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000598190451 565599940 /nfs/dbraw/zinc/59/99/40/565599940.db2.gz IDEXEPITSNZGHA-NSHDSACASA-N 0 0 387.223 2.749 20 5 GFBDRN 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/nfs/dbraw/zinc/63/27/60/565632760.db2.gz IHLIPOMXRUQTTO-UHFFFAOYSA-N 0 0 396.241 2.863 20 5 GFBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598947793 565650103 /nfs/dbraw/zinc/65/01/03/565650103.db2.gz MVKQLMQDKZNKNQ-NSHDSACASA-N 0 0 379.214 2.898 20 5 GFBDRN CC1(C)C[C@H](S(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000599291758 565667230 /nfs/dbraw/zinc/66/72/30/565667230.db2.gz QKMLILJWBUQVLQ-LBPRGKRZSA-N 0 0 382.360 2.601 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@@H]1CCCOC1 ZINC000599364565 565672515 /nfs/dbraw/zinc/67/25/15/565672515.db2.gz LXXWMBVESUOCGX-JTQLQIEISA-N 0 0 382.360 2.709 20 5 GFBDRN COc1ccc([C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cn1 ZINC000599528117 565686664 /nfs/dbraw/zinc/68/66/64/565686664.db2.gz ZMKYXVMZKFMSAT-OAHLLOKOSA-N 0 0 383.451 2.798 20 5 GFBDRN CCOC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000599786508 565702172 /nfs/dbraw/zinc/70/21/72/565702172.db2.gz NHGBAEAJYZDLMS-CYBMUJFWSA-N 0 0 388.218 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399.241 2.814 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(I)c3)no2)n1 ZINC000612885246 566178233 /nfs/dbraw/zinc/17/82/33/566178233.db2.gz HCDMRYUVQIWZFM-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN O=C(Nc1sccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000738206823 598830344 /nfs/dbraw/zinc/83/03/44/598830344.db2.gz HLINLJFTHQUYAB-UHFFFAOYSA-N 0 0 395.198 2.851 20 5 GFBDRN Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000737238615 598882040 /nfs/dbraw/zinc/88/20/40/598882040.db2.gz QFWVJVWHQFUOKL-LBPRGKRZSA-N 0 0 383.364 2.708 20 5 GFBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184917 598892179 /nfs/dbraw/zinc/89/21/79/598892179.db2.gz PDITUOXZGMIQDS-LBPRGKRZSA-N 0 0 394.391 2.522 20 5 GFBDRN O=C(Oc1ccc(-c2nn[nH]n2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000823445473 607256075 /nfs/dbraw/zinc/25/60/75/607256075.db2.gz XIPGYMYVAXUKGA-UHFFFAOYSA-N 0 0 390.153 2.757 20 5 GFBDRN CC(C)NC(=O)c1ccc(NCc2cc(-c3nn[nH]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000820138250 599069570 /nfs/dbraw/zinc/06/95/70/599069570.db2.gz SKGUUAKZCSEWNT-UHFFFAOYSA-N 0 0 399.386 2.664 20 5 GFBDRN O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000738369620 599160393 /nfs/dbraw/zinc/16/03/93/599160393.db2.gz KLDOEQRGRVYOOH-UHFFFAOYSA-N 0 0 383.299 2.543 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccc(F)cc3)cc(-c3nn[nH]n3)c2c1 ZINC000738366587 599273867 /nfs/dbraw/zinc/27/38/67/599273867.db2.gz FLMHQHWUDUZTSB-MRXNPFEDSA-N 0 0 395.354 2.608 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000736489435 599278181 /nfs/dbraw/zinc/27/81/81/599278181.db2.gz ZSWSRECLGDHLSK-UHFFFAOYSA-N 0 0 397.395 2.858 20 5 GFBDRN O=[N+]([O-])c1ccc(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000738361106 598321360 /nfs/dbraw/zinc/32/13/60/598321360.db2.gz USNJKOILGGCPFC-UHFFFAOYSA-N 0 0 389.828 2.915 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231379 598432342 /nfs/dbraw/zinc/43/23/42/598432342.db2.gz 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C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184837 598735706 /nfs/dbraw/zinc/73/57/06/598735706.db2.gz OBGRBAYBFLQYFS-VXGBXAGGSA-N 0 0 394.391 2.520 20 5 GFBDRN Cc1ncc(CN(C)c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467366 599483765 /nfs/dbraw/zinc/48/37/65/599483765.db2.gz LWCVWGGDXRJJCB-UHFFFAOYSA-N 0 0 382.409 2.724 20 5 GFBDRN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820390526 599501748 /nfs/dbraw/zinc/50/17/48/599501748.db2.gz IBQQOMJKEGSHJF-SNVBAGLBSA-N 0 0 377.364 2.747 20 5 GFBDRN C[C@H]1COCCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736291862 599535521 /nfs/dbraw/zinc/53/55/21/599535521.db2.gz DDJNYODFWHTJQK-LBPRGKRZSA-N 0 0 381.396 2.744 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCC3(O)CCCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643812 599562933 /nfs/dbraw/zinc/56/29/33/599562933.db2.gz BUDBQJBJVABPKX-UHFFFAOYSA-N 0 0 383.412 2.820 20 5 GFBDRN CC(C)n1ccc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000820214573 599565849 /nfs/dbraw/zinc/56/58/49/599565849.db2.gz JLJMIONYLGOFKN-UHFFFAOYSA-N 0 0 379.384 2.713 20 5 GFBDRN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000740098805 600365547 /nfs/dbraw/zinc/36/55/47/600365547.db2.gz ZKQFJKVFVMXSLN-LBPRGKRZSA-N 0 0 378.385 2.656 20 5 GFBDRN COc1cc(CC[NH2+][C@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000831982654 600734511 /nfs/dbraw/zinc/73/45/11/600734511.db2.gz AYOFIKRFEUNEMG-KRWDZBQOSA-N 0 0 378.356 2.709 20 5 GFBDRN O=C([O-])C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000833191502 600811299 /nfs/dbraw/zinc/81/12/99/600811299.db2.gz FRWOITSLLKXXMS-UHFFFAOYSA-N 0 0 386.246 2.956 20 5 GFBDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000825473905 603649321 /nfs/dbraw/zinc/64/93/21/603649321.db2.gz VXOXWGGHZHMZGX-CWSCBRNRSA-N 0 0 384.820 2.601 20 5 GFBDRN C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(NC(=O)[O-])CC1 ZINC000828416663 603789399 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GFBDRN COc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000821824149 606706963 /nfs/dbraw/zinc/70/69/63/606706963.db2.gz IDXCJQBWQKEOSC-UHFFFAOYSA-N 0 0 395.301 2.809 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000822128406 606712715 /nfs/dbraw/zinc/71/27/15/606712715.db2.gz BUZDKGKEENTFIX-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821639053 606757060 /nfs/dbraw/zinc/75/70/60/606757060.db2.gz OEYDXBGVPRZTEA-CYBMUJFWSA-N 0 0 396.407 2.591 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCc2ccccc2OC(F)(F)F)c(-c2nn[nH]n2)c1 ZINC000823650884 606801442 /nfs/dbraw/zinc/80/14/42/606801442.db2.gz CQWWDHGPNVFANL-UHFFFAOYSA-N 0 0 395.301 2.723 20 5 GFBDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822978402 606813323 /nfs/dbraw/zinc/81/33/23/606813323.db2.gz JQINZHACFKEIJG-UHFFFAOYSA-N 0 0 386.799 2.677 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1-c1nn[nH]n1 ZINC000820556169 606972279 /nfs/dbraw/zinc/97/22/79/606972279.db2.gz SGEMUGWZCQGEJV-LLVKDONJSA-N 0 0 384.421 2.919 20 5 GFBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000823413990 607081322 /nfs/dbraw/zinc/08/13/22/607081322.db2.gz PRMKAQYUFBERAZ-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN O=[N+]([O-])c1cccc(CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000823648349 607175833 /nfs/dbraw/zinc/17/58/33/607175833.db2.gz VKVQDEJEUROHHT-UHFFFAOYSA-N 0 0 381.352 2.852 20 5 GFBDRN O=C(c1ccc(O)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826473010 607837723 /nfs/dbraw/zinc/83/77/23/607837723.db2.gz GVOWBQWAARVIGT-UHFFFAOYSA-N 0 0 394.391 2.580 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@H](O)c1ccccc1C(F)(F)F ZINC000826499251 607876779 /nfs/dbraw/zinc/87/67/79/607876779.db2.gz BDPLLRQGVGUSHF-ZDUSSCGKSA-N 0 0 395.297 2.906 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nn[nH]n2)c1 ZINC000826498650 607969138 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WAOGCUACVVRDBT-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN O=[N+]([O-])c1c(N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccn21 ZINC000826497661 608442387 /nfs/dbraw/zinc/44/23/87/608442387.db2.gz OYLWEJQWEPXEMD-UHFFFAOYSA-N 0 0 388.391 2.716 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000826248506 609329410 /nfs/dbraw/zinc/32/94/10/609329410.db2.gz LZGOWJQHUXTMKK-UHFFFAOYSA-N 0 0 386.799 2.709 20 5 GFBDRN O=C(Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826454300 609395709 /nfs/dbraw/zinc/39/57/09/609395709.db2.gz RFVWQBVOIRKHQI-UHFFFAOYSA-N 0 0 394.269 2.768 20 5 GFBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260199 609512664 /nfs/dbraw/zinc/51/26/64/609512664.db2.gz AMNZHUAIFYYFAX-UHFFFAOYSA-N 0 0 390.363 2.521 20 5 GFBDRN O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477543 609577631 /nfs/dbraw/zinc/57/76/31/609577631.db2.gz GGXQCRVKHQHLMH-HNNXBMFYSA-N 0 0 397.370 2.522 20 5 GFBDRN 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ZINC000188454613 552445376 /nfs/dbraw/zinc/44/53/76/552445376.db2.gz DFNUTDPYLMLZFY-UHFFFAOYSA-N 0 0 378.182 2.656 20 5 GFBDRN COc1ccc(Br)cc1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188913459 552458366 /nfs/dbraw/zinc/45/83/66/552458366.db2.gz AJKHBYJJVUZGIR-UHFFFAOYSA-N 0 0 394.181 2.943 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000189886465 552482379 /nfs/dbraw/zinc/48/23/79/552482379.db2.gz PKHGSDFFLPTNGN-IIMNLJJBSA-N 0 0 397.225 2.771 20 5 GFBDRN CC[C@@]1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000190597467 552502331 /nfs/dbraw/zinc/50/23/31/552502331.db2.gz SAVINTHQCQEYEX-ZDUSSCGKSA-N 0 0 382.360 2.803 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(F)cc(F)c1Br ZINC000190654695 552504881 /nfs/dbraw/zinc/50/48/81/552504881.db2.gz FDDSTRYYGKZIRY-UHFFFAOYSA-N 0 0 390.144 2.654 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(I)c2)n1 ZINC000191453668 552529194 /nfs/dbraw/zinc/52/91/94/552529194.db2.gz YZBUXFXNIPQJCE-UHFFFAOYSA-N 0 0 386.149 2.668 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(=O)OC)n1 ZINC000191460201 552529353 /nfs/dbraw/zinc/52/93/53/552529353.db2.gz AGRRKCHADVICMW-UHFFFAOYSA-N 0 0 397.185 2.613 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCNC(=O)c1cccc(Br)c1 ZINC000192550480 552566621 /nfs/dbraw/zinc/56/66/21/552566621.db2.gz VCKPAVVHUMYUQL-UHFFFAOYSA-N 0 0 396.245 2.724 20 5 GFBDRN Nc1nccc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)n1 ZINC000192752896 552972888 /nfs/dbraw/zinc/97/28/88/552972888.db2.gz IBNRFEMTZLKDJG-VIFPVBQESA-N 0 0 379.218 2.509 20 5 GFBDRN O=[N+]([O-])c1cccc(OCCOc2c(CO)cc(Br)cc2CO)c1 ZINC000192775705 552973580 /nfs/dbraw/zinc/97/35/80/552973580.db2.gz JUIUWBLTVUTQOW-UHFFFAOYSA-N 0 0 398.209 2.800 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000193119758 552984413 /nfs/dbraw/zinc/98/44/13/552984413.db2.gz AMSFLXVNJKXADB-UHFFFAOYSA-N 0 0 380.447 2.865 20 5 GFBDRN CS[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000193800941 553003620 /nfs/dbraw/zinc/00/36/20/553003620.db2.gz BEQUFMDUOYZKBI-ZETCQYMHSA-N 0 0 394.234 2.989 20 5 GFBDRN COc1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1Br ZINC000194079520 553010964 /nfs/dbraw/zinc/01/09/64/553010964.db2.gz KSDCZAIBRUQIAX-QMMMGPOBSA-N 0 0 397.229 2.899 20 5 GFBDRN CS[C@@H](CO)[C@@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000227060887 553062651 /nfs/dbraw/zinc/06/26/51/553062651.db2.gz BFLOBUYXRVIRPG-HQJQHLMTSA-N 0 0 382.223 2.724 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245750562 553096145 /nfs/dbraw/zinc/09/61/45/553096145.db2.gz DCWFKJAACFLRRD-DAXOMENPSA-N 0 0 395.253 2.974 20 5 GFBDRN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000369557920 563217324 /nfs/dbraw/zinc/21/73/24/563217324.db2.gz DLGDZDAHWOBTNT-HERUPUMHSA-N 0 0 396.241 2.616 20 5 GFBDRN CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294879566 563220300 /nfs/dbraw/zinc/22/03/00/563220300.db2.gz DIHLQHRMFNWVTJ-UHFFFAOYSA-N 0 0 382.360 2.557 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000295039604 563226939 /nfs/dbraw/zinc/22/69/39/563226939.db2.gz WNBIJVRGBGQEPZ-ZETCQYMHSA-N 0 0 376.378 2.829 20 5 GFBDRN Cc1cc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)C2)n(C)n1 ZINC000278123262 563241465 /nfs/dbraw/zinc/24/14/65/563241465.db2.gz YLZBEWGKRCGVPS-NSHDSACASA-N 0 0 395.261 2.875 20 5 GFBDRN Cc1cccc2c1CNCCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420458159 563264417 /nfs/dbraw/zinc/26/44/17/563264417.db2.gz JUPVTDUIPMWCQI-UHFFFAOYSA-N 0 0 381.841 2.855 20 5 GFBDRN CS[C@@H](CO)[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278646691 563264986 /nfs/dbraw/zinc/26/49/86/563264986.db2.gz LVXSUASIRIMEEG-PELKAZGASA-N 0 0 381.376 2.525 20 5 GFBDRN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000371128386 563266002 /nfs/dbraw/zinc/26/60/02/563266002.db2.gz KXZMZYWKDPMEGJ-LLVKDONJSA-N 0 0 385.214 2.629 20 5 GFBDRN CC[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725023 563279797 /nfs/dbraw/zinc/27/97/97/563279797.db2.gz LLYBNDSQEXOZIO-JQWIXIFHSA-N 0 0 393.259 2.593 20 5 GFBDRN CC[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733051 563280447 /nfs/dbraw/zinc/28/04/47/563280447.db2.gz USFWOMGJWWPAOJ-MNOVXSKESA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(c1cc2n(n1)CCC2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000296279300 563281904 /nfs/dbraw/zinc/28/19/04/563281904.db2.gz YYXFRRQNWBNFSZ-UHFFFAOYSA-N 0 0 391.225 2.699 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000420749450 563282999 /nfs/dbraw/zinc/28/29/99/563282999.db2.gz LIKWPYJQRLVVPB-JTQLQIEISA-N 0 0 382.360 2.957 20 5 GFBDRN Cc1csc2c1CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)CC2 ZINC000371635733 563283887 /nfs/dbraw/zinc/28/38/87/563283887.db2.gz TWZAUCRHIKOUKG-UHFFFAOYSA-N 0 0 380.447 2.567 20 5 GFBDRN CCOC(CCNC(=O)c1sc(Br)cc1[N+](=O)[O-])OCC ZINC000279112614 563284208 /nfs/dbraw/zinc/28/42/08/563284208.db2.gz ULNLCWLVEPBJMM-UHFFFAOYSA-N 0 0 381.248 2.938 20 5 GFBDRN CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296362611 563284748 /nfs/dbraw/zinc/28/47/48/563284748.db2.gz SFKGGSDZDTXKRT-KYZUINATSA-N 0 0 383.253 2.826 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC000371826412 563288631 /nfs/dbraw/zinc/28/86/31/563288631.db2.gz IIJBZBOPLQXSEX-VIFPVBQESA-N 0 0 381.797 2.972 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC2(CCOCC2)O1 ZINC000279266785 563289546 /nfs/dbraw/zinc/28/95/46/563289546.db2.gz UTSCSSAVNGSNQI-LLVKDONJSA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(NCCCCn1cc(Br)cn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000279335153 563293237 /nfs/dbraw/zinc/29/32/37/563293237.db2.gz HCGFVKPUKVGZCN-UHFFFAOYSA-N 0 0 385.193 2.903 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279399802 563295602 /nfs/dbraw/zinc/29/56/02/563295602.db2.gz RRWISUQOBBJKJH-OHUAYANFSA-N 0 0 399.241 2.766 20 5 GFBDRN O=C(c1cscc1Br)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296829479 563303554 /nfs/dbraw/zinc/30/35/54/563303554.db2.gz DJEPWPSIURSDDA-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN COC[C@@]1(C(=O)OC)CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000296835208 563304298 /nfs/dbraw/zinc/30/42/98/563304298.db2.gz HRESCRIKVMUEAY-OAHLLOKOSA-N 0 0 391.207 2.553 20 5 GFBDRN CCc1noc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000296917348 563308218 /nfs/dbraw/zinc/30/82/18/563308218.db2.gz XCADVRYUEFLDRG-UHFFFAOYSA-N 0 0 396.201 2.893 20 5 GFBDRN CC(C)(CCC(=O)NC[C@@H](CO)Cc1ccccc1Br)[N+](=O)[O-] ZINC000296961970 563310577 /nfs/dbraw/zinc/31/05/77/563310577.db2.gz YIDRRJVUJGNOGM-LBPRGKRZSA-N 0 0 387.274 2.552 20 5 GFBDRN Cc1ccc(S(=O)(=O)CCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000279994849 563317670 /nfs/dbraw/zinc/31/76/70/563317670.db2.gz RNEAURZFWXRAHJ-UHFFFAOYSA-N 0 0 383.447 2.541 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2cc(Br)sc2C1 ZINC000373316773 563334822 /nfs/dbraw/zinc/33/48/22/563334822.db2.gz JOYCHZUFWIJEAV-UHFFFAOYSA-N 0 0 383.227 2.826 20 5 GFBDRN CCN(C)C(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC000297784013 563335664 /nfs/dbraw/zinc/33/56/64/563335664.db2.gz QVFCFLJHZRUQJF-ZDUSSCGKSA-N 0 0 386.246 2.590 20 5 GFBDRN CC(C)c1nnc(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[nH]1 ZINC000297841207 563337795 /nfs/dbraw/zinc/33/77/95/563337795.db2.gz SCQVINUBPYPHDL-UHFFFAOYSA-N 0 0 383.206 2.921 20 5 GFBDRN C[C@@H]1C[C@]2(CCO1)CN(c1ncc([N+](=O)[O-])cc1Br)C[C@H](C)O2 ZINC000373772897 563350252 /nfs/dbraw/zinc/35/02/52/563350252.db2.gz RRXXYKDFQDFVQS-JRPNMDOOSA-N 0 0 386.246 2.915 20 5 GFBDRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000280873901 563358984 /nfs/dbraw/zinc/35/89/84/563358984.db2.gz ZAJZFWFGXSHFOO-SNVBAGLBSA-N 0 0 399.245 2.656 20 5 GFBDRN Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000374435488 563372706 /nfs/dbraw/zinc/37/27/06/563372706.db2.gz JHTLYSREAZJKCQ-LLVKDONJSA-N 0 0 384.845 2.609 20 5 GFBDRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000281300495 563372696 /nfs/dbraw/zinc/37/26/96/563372696.db2.gz ASBNXPQGOTXGAD-KYZUINATSA-N 0 0 383.177 2.896 20 5 GFBDRN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000374499975 563374286 /nfs/dbraw/zinc/37/42/86/563374286.db2.gz ANSHJYGCCFSPJZ-LBPRGKRZSA-N 0 0 385.833 2.591 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000299143780 563376168 /nfs/dbraw/zinc/37/61/68/563376168.db2.gz QDGTUOGJXRDXNR-CQSZACIVSA-N 0 0 379.214 2.748 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCCc1nc2cc(Cl)ccc2s1 ZINC000299154149 563376490 /nfs/dbraw/zinc/37/64/90/563376490.db2.gz ZZNFUYYOKQZYHM-UHFFFAOYSA-N 0 0 379.829 2.803 20 5 GFBDRN Cc1oc(Br)cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424669787 563386258 /nfs/dbraw/zinc/38/62/58/563386258.db2.gz DBQIXYFPYLVFCF-SNVBAGLBSA-N 0 0 395.213 2.980 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1Oc1ncnc2c1c(Br)nn2C ZINC000301150027 563394310 /nfs/dbraw/zinc/39/43/10/563394310.db2.gz JMRKVLMARUTACJ-UHFFFAOYSA-N 0 0 380.158 2.835 20 5 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398.268 2.568 20 5 GFBDRN CS(=O)(=O)c1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000505124569 565049448 /nfs/dbraw/zinc/04/94/48/565049448.db2.gz KPCSVNPFZQQOAT-UHFFFAOYSA-N 0 0 392.361 2.914 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000584382743 565078249 /nfs/dbraw/zinc/07/82/49/565078249.db2.gz JXDDTMHWRJNQIB-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN Cc1c(NCC(=O)NC(=O)NC2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000584875764 565102816 /nfs/dbraw/zinc/10/28/16/565102816.db2.gz ZSANSNYPODVKSC-UHFFFAOYSA-N 0 0 399.245 2.846 20 5 GFBDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000586772656 565116044 /nfs/dbraw/zinc/11/60/44/565116044.db2.gz UIAALWJFBPXHGK-RDDDGLTNSA-N 0 0 388.751 2.589 20 5 GFBDRN O=C(N1CCCC1)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000588068999 565125064 /nfs/dbraw/zinc/12/50/64/565125064.db2.gz XCXKJSCUIVBAJU-LLVKDONJSA-N 0 0 398.261 2.844 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1Cc2ccccc2CO1 ZINC000588142372 565128655 /nfs/dbraw/zinc/12/86/55/565128655.db2.gz HRULDFYXGDDCFL-UHFFFAOYSA-N 0 0 399.222 2.993 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000588144472 565128698 /nfs/dbraw/zinc/12/86/98/565128698.db2.gz KNRFWGLYCIYTGD-CYBMUJFWSA-N 0 0 384.841 2.611 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC1CCC(OC(F)F)CC1 ZINC000590764650 565203138 /nfs/dbraw/zinc/20/31/38/565203138.db2.gz MZQFVMJVQPHEIK-UHFFFAOYSA-N 0 0 378.397 2.607 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(Sc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000591179603 565218575 /nfs/dbraw/zinc/21/85/75/565218575.db2.gz MWGZYIRTZPBXSK-UHFFFAOYSA-N 0 0 380.447 2.931 20 5 GFBDRN CC(C)(C)CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591325492 565224220 /nfs/dbraw/zinc/22/42/20/565224220.db2.gz BLSNQKJWZBSDSJ-UHFFFAOYSA-N 0 0 384.376 2.643 20 5 GFBDRN CCC1(O)CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000591367119 565226967 /nfs/dbraw/zinc/22/69/67/565226967.db2.gz NBAVWBJLTPPSNN-UHFFFAOYSA-N 0 0 391.209 2.512 20 5 GFBDRN CNC(=O)[C@]1(C(F)(F)F)CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591994871 565246341 /nfs/dbraw/zinc/24/63/41/565246341.db2.gz VERGGVFBRQNJFO-LBPRGKRZSA-N 0 0 396.163 2.862 20 5 GFBDRN C[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000592593447 565284495 /nfs/dbraw/zinc/28/44/95/565284495.db2.gz TVHOVLFEKSVERA-LLVKDONJSA-N 0 0 397.229 2.700 20 5 GFBDRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC(F)F ZINC000592672982 565288403 /nfs/dbraw/zinc/28/84/03/565288403.db2.gz RHDPTNPHJNJMLX-UWVGGRQHSA-N 0 0 375.397 2.668 20 5 GFBDRN C[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000592747198 565292073 /nfs/dbraw/zinc/29/20/73/565292073.db2.gz OEBTVYYOIYKHLH-NSHDSACASA-N 0 0 396.245 2.733 20 5 GFBDRN CC(=O)NCC(C)(C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000593296881 565325589 /nfs/dbraw/zinc/32/55/89/565325589.db2.gz VGUJSZDBQMXCGH-UHFFFAOYSA-N 0 0 397.229 2.745 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOc2c(Br)cccc2C1 ZINC000619420556 565339648 /nfs/dbraw/zinc/33/96/48/565339648.db2.gz FBMTUWOFNJDOOX-UHFFFAOYSA-N 0 0 380.198 2.731 20 5 GFBDRN Nc1c(C(=O)N2CCOc3c(Br)cccc3C2)cccc1[N+](=O)[O-] ZINC000619419506 565339972 /nfs/dbraw/zinc/33/99/72/565339972.db2.gz RVSKIBXTSVFKHU-UHFFFAOYSA-N 0 0 392.209 2.974 20 5 GFBDRN O=C([O-])CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000593752729 565359753 /nfs/dbraw/zinc/35/97/53/565359753.db2.gz YFTJUMIZHXXVKL-UHFFFAOYSA-N 0 0 397.229 2.531 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593789166 565360415 /nfs/dbraw/zinc/36/04/15/565360415.db2.gz BWOMHNUJSCRVHF-UHFFFAOYSA-N 0 0 384.223 2.598 20 5 GFBDRN CCOC(=O)CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594482302 565394173 /nfs/dbraw/zinc/39/41/73/565394173.db2.gz SWGRMPLIJZJTAB-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CNc1ccn(C2CCOCC2)n1 ZINC000594707072 565409879 /nfs/dbraw/zinc/40/98/79/565409879.db2.gz IBZKFKRIEHKHIK-UHFFFAOYSA-N 0 0 381.230 2.939 20 5 GFBDRN CSC[C@H]1CCCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594776289 565419233 /nfs/dbraw/zinc/41/92/33/565419233.db2.gz YKMRXQKTLZHHSM-LBPRGKRZSA-N 0 0 381.479 2.907 20 5 GFBDRN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594870514 565432567 /nfs/dbraw/zinc/43/25/67/565432567.db2.gz LCRPOTVFXBRYMT-RDDDGLTNSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973718 565438064 /nfs/dbraw/zinc/43/80/64/565438064.db2.gz DNZWMVDFEJTNQZ-DGCLKSJQSA-N 0 0 381.479 2.774 20 5 GFBDRN CC1(C)[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1(F)F ZINC000595350338 565466996 /nfs/dbraw/zinc/46/69/96/565466996.db2.gz AEBDUFJWXHBRLE-JTQLQIEISA-N 0 0 399.213 2.927 20 5 GFBDRN C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381392 565471566 /nfs/dbraw/zinc/47/15/66/565471566.db2.gz JNYFQNUYMUZZIP-IAQYHMDHSA-N 0 0 384.841 2.691 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000595394054 565472439 /nfs/dbraw/zinc/47/24/39/565472439.db2.gz CBLSXLYNORWWIV-SECBINFHSA-N 0 0 388.751 2.590 20 5 GFBDRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595404796 565474447 /nfs/dbraw/zinc/47/44/47/565474447.db2.gz NVUVHHDXGDIIMB-CQSZACIVSA-N 0 0 398.213 3.000 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000595415781 565475423 /nfs/dbraw/zinc/47/54/23/565475423.db2.gz NXUUWWFSJXZBTM-IAQYHMDHSA-N 0 0 378.397 2.645 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000595414892 565475610 /nfs/dbraw/zinc/47/56/10/565475610.db2.gz HLKLVISLEJGAPX-ZUZCIYMTSA-N 0 0 378.397 2.645 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@](C)(C(F)F)O1 ZINC000595414347 565476052 /nfs/dbraw/zinc/47/60/52/565476052.db2.gz BYGPBBKXSTWCIS-ISVAXAHUSA-N 0 0 384.788 2.681 20 5 GFBDRN O=C(N1CCCC1)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596065423 565512203 /nfs/dbraw/zinc/51/22/03/565512203.db2.gz GNBFEZCCBHZKMJ-UHFFFAOYSA-N 0 0 383.246 2.695 20 5 GFBDRN CC(C)(C)c1ccc(NC(=O)c2sccc2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000597632151 565568910 /nfs/dbraw/zinc/56/89/10/565568910.db2.gz QGGZFVPCYOREKF-UHFFFAOYSA-N 0 0 383.451 2.854 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000597678005 565569800 /nfs/dbraw/zinc/56/98/00/565569800.db2.gz PZIICHNRMLCGHV-AWEZNQCLSA-N 0 0 387.230 2.939 20 5 GFBDRN C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1CCO ZINC000598066944 565592679 /nfs/dbraw/zinc/59/26/79/565592679.db2.gz HGGCEEPLPHDPON-IAQYHMDHSA-N 0 0 385.258 2.909 20 5 GFBDRN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598099322 565595076 /nfs/dbraw/zinc/59/50/76/565595076.db2.gz BHIMNTGVZYCISP-RNCFNFMXSA-N 0 0 395.213 2.683 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000598150786 565596699 /nfs/dbraw/zinc/59/66/99/565596699.db2.gz LPHDTLRFGMCSAW-UHFFFAOYSA-N 0 0 379.214 2.648 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000598227109 565603833 /nfs/dbraw/zinc/60/38/33/565603833.db2.gz BNADUZDOCVDYST-LBPRGKRZSA-N 0 0 395.213 2.603 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598615381 565630748 /nfs/dbraw/zinc/63/07/48/565630748.db2.gz XSDVEZBFEDWXBR-SKDRFNHKSA-N 0 0 382.360 2.552 20 5 GFBDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598947792 565650059 /nfs/dbraw/zinc/65/00/59/565650059.db2.gz MVKQLMQDKZNKNQ-LLVKDONJSA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598933730 565650430 /nfs/dbraw/zinc/65/04/30/565650430.db2.gz ZRQPRRFDGWWGMU-UHFFFAOYSA-N 0 0 382.467 2.625 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cncc2C1 ZINC000598950329 565651549 /nfs/dbraw/zinc/65/15/49/565651549.db2.gz QQRVOSDHKINVIA-SNVBAGLBSA-N 0 0 379.214 2.607 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000598992113 565652707 /nfs/dbraw/zinc/65/27/07/565652707.db2.gz RWRKCOLVQFQTMW-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN Cn1cc([C@@H]2C[C@@H](Nc3ncc([N+](=O)[O-])cc3Br)CCO2)cn1 ZINC000599105542 565656701 /nfs/dbraw/zinc/65/67/01/565656701.db2.gz DDSVWHPJMUJFRE-GWCFXTLKSA-N 0 0 382.218 2.818 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@@H](n1cccn1)C(F)(F)F ZINC000599118366 565656925 /nfs/dbraw/zinc/65/69/25/565656925.db2.gz VBWQFVOBQWHFCJ-SECBINFHSA-N 0 0 380.124 2.586 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1[N+](=O)[O-] ZINC000599166821 565659133 /nfs/dbraw/zinc/65/91/33/565659133.db2.gz HKKVAGWBIZFQBE-IUIKQTSFSA-N 0 0 379.825 2.646 20 5 GFBDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599225185 565662607 /nfs/dbraw/zinc/66/26/07/565662607.db2.gz FLYDSIIXXRNBSS-LLVKDONJSA-N 0 0 398.257 2.736 20 5 GFBDRN C[C@@H](c1ccc(Cl)cc1)N(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599218782 565662731 /nfs/dbraw/zinc/66/27/31/565662731.db2.gz QAQYIYQYKUTNGA-JTQLQIEISA-N 0 0 384.845 2.896 20 5 GFBDRN C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248568 565664602 /nfs/dbraw/zinc/66/46/02/565664602.db2.gz OHVWUXRYSWPZDS-GAJTVXKRSA-N 0 0 384.845 2.657 20 5 GFBDRN C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599509996 565686359 /nfs/dbraw/zinc/68/63/59/565686359.db2.gz UMPJIGFUPOPSCH-RKDXNWHRSA-N 0 0 383.253 2.683 20 5 GFBDRN O=C(NCCCOC1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599571725 565689482 /nfs/dbraw/zinc/68/94/82/565689482.db2.gz SMCKFBXNBFYSDA-UHFFFAOYSA-N 0 0 387.230 2.673 20 5 GFBDRN C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000599873741 565704577 /nfs/dbraw/zinc/70/45/77/565704577.db2.gz KUKAPJCRRZWMQF-MEDUHNTESA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC(Cc2cccs2)C1 ZINC000600087518 565712911 /nfs/dbraw/zinc/71/29/11/565712911.db2.gz MGMONMJJWMWSLW-UHFFFAOYSA-N 0 0 379.825 2.949 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncc(Br)cc3F)C2)nc1 ZINC000600116803 565714829 /nfs/dbraw/zinc/71/48/29/565714829.db2.gz PEDDBDSFJCEFTQ-LLVKDONJSA-N 0 0 396.220 2.973 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CCF)C1 ZINC000600497283 565732954 /nfs/dbraw/zinc/73/29/54/565732954.db2.gz RIOGCQYNXFMHQQ-LLVKDONJSA-N 0 0 375.194 2.866 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCO[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600493248 565732980 /nfs/dbraw/zinc/73/29/80/565732980.db2.gz GKOIGYPGVGGQJJ-LLVKDONJSA-N 0 0 375.194 2.866 20 5 GFBDRN CSC1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000601480428 565786418 /nfs/dbraw/zinc/78/64/18/565786418.db2.gz ZDRGLQWFSKFWLB-UHFFFAOYSA-N 0 0 395.300 2.873 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)c(F)c1 ZINC000601496351 565786961 /nfs/dbraw/zinc/78/69/61/565786961.db2.gz BSHVIFYYHKGLGT-UHFFFAOYSA-N 0 0 385.442 2.834 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601836065 565805942 /nfs/dbraw/zinc/80/59/42/565805942.db2.gz LAMBJDILNWTRPC-OIBJUYFYSA-N 0 0 397.147 2.600 20 5 GFBDRN Cc1csc(CC2(O)CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)n1 ZINC000602180039 565829099 /nfs/dbraw/zinc/82/90/99/565829099.db2.gz HKPNFGYSKDUJLN-UHFFFAOYSA-N 0 0 381.479 2.939 20 5 GFBDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602627351 565858284 /nfs/dbraw/zinc/85/82/84/565858284.db2.gz ROEMUQLEVCCREQ-CMPLNLGQSA-N 0 0 389.271 2.989 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NC1(c2ccc(Br)cc2)CCCC1 ZINC000603917044 565919940 /nfs/dbraw/zinc/91/99/40/565919940.db2.gz GBUJSUQQAOTKHJ-UHFFFAOYSA-N 0 0 394.229 2.535 20 5 GFBDRN NC(=O)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1Cl ZINC000609350835 566036581 /nfs/dbraw/zinc/03/65/81/566036581.db2.gz PMMOUCYSNILRNX-SNVBAGLBSA-N 0 0 379.829 2.714 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000609673817 566048978 /nfs/dbraw/zinc/04/89/78/566048978.db2.gz WDOZWYJYATZRGU-LLVKDONJSA-N 0 0 382.360 2.635 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610086935 566065638 /nfs/dbraw/zinc/06/56/38/566065638.db2.gz GNXBBMBODWIKQI-NSHDSACASA-N 0 0 388.751 2.508 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](n2ccnc2)C1 ZINC000610667814 566092770 /nfs/dbraw/zinc/09/27/70/566092770.db2.gz ABTHJKQTBDHKQK-CQSZACIVSA-N 0 0 393.241 2.960 20 5 GFBDRN C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611021847 566111404 /nfs/dbraw/zinc/11/14/04/566111404.db2.gz KDFRJWCDVHUQSQ-IAQYHMDHSA-N 0 0 384.841 2.691 20 5 GFBDRN CSc1cc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])ccn1 ZINC000611231033 566123079 /nfs/dbraw/zinc/12/30/79/566123079.db2.gz XCRAOEASDBBARQ-UHFFFAOYSA-N 0 0 378.435 2.541 20 5 GFBDRN O=C1[C@@H](S(=O)(=O)c2ccc(Cl)s2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611383409 566127902 /nfs/dbraw/zinc/12/79/02/566127902.db2.gz HBBNNSMFZGFANI-NSHDSACASA-N 0 0 386.838 2.889 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000611541162 566134932 /nfs/dbraw/zinc/13/49/32/566134932.db2.gz 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Cc1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)cc1 ZINC000822242531 599064842 /nfs/dbraw/zinc/06/48/42/599064842.db2.gz ODZSLRLPADYSKN-ZDUSSCGKSA-N 0 0 380.412 2.559 20 5 GFBDRN O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2nn[nH]n2)c1 ZINC000823650778 599088482 /nfs/dbraw/zinc/08/84/82/599088482.db2.gz AQHRGENLTOYRFL-UHFFFAOYSA-N 0 0 397.786 2.812 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000821983921 599169028 /nfs/dbraw/zinc/16/90/28/599169028.db2.gz KLNNZEZOLCKONO-UHFFFAOYSA-N 0 0 388.384 2.566 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000738357171 599171426 /nfs/dbraw/zinc/17/14/26/599171426.db2.gz DVVXZSAHQDTVQE-CQSZACIVSA-N 0 0 383.387 2.995 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2nn[nH]n2)c1 ZINC000738371691 599173092 /nfs/dbraw/zinc/17/30/92/599173092.db2.gz WTPMSOSNNZMPCO-ZDUSSCGKSA-N 0 0 383.387 2.995 20 5 GFBDRN COc1cccc(CN(C)c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737130619 599255211 /nfs/dbraw/zinc/25/52/11/599255211.db2.gz ITHGPHIGLDCAQF-UHFFFAOYSA-N 0 0 391.391 2.968 20 5 GFBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738233050 599261746 /nfs/dbraw/zinc/26/17/46/599261746.db2.gz CSIKMMUQOKRAKM-UHFFFAOYSA-N 0 0 392.331 2.787 20 5 GFBDRN Cc1c(CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000737211687 598256407 /nfs/dbraw/zinc/25/64/07/598256407.db2.gz NWJYJZNJINVBQH-UHFFFAOYSA-N 0 0 397.414 2.545 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000737221882 598272504 /nfs/dbraw/zinc/27/25/04/598272504.db2.gz QVVTWSLLBRTPKC-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737511356 598339635 /nfs/dbraw/zinc/33/96/35/598339635.db2.gz KCCYQMHLZDJALR-GFCCVEGCSA-N 0 0 388.819 2.812 20 5 GFBDRN COc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1OC ZINC000737072034 598363588 /nfs/dbraw/zinc/36/35/88/598363588.db2.gz IKGCZJJDGMVCQR-UHFFFAOYSA-N 0 0 399.411 2.577 20 5 GFBDRN COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000737042826 598488610 /nfs/dbraw/zinc/48/86/10/598488610.db2.gz SIJOJGDRWVYVAZ-UHFFFAOYSA-N 0 0 385.384 2.592 20 5 GFBDRN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000738168277 598600004 /nfs/dbraw/zinc/60/00/04/598600004.db2.gz XXYZPJJWYCCNLE-UHFFFAOYSA-N 0 0 397.370 2.767 20 5 GFBDRN O=[N+]([O-])c1cccc(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)c1 ZINC000823646793 599501581 /nfs/dbraw/zinc/50/15/81/599501581.db2.gz AJUQFJJYVCUOBO-UHFFFAOYSA-N 0 0 383.318 2.635 20 5 GFBDRN CCOC[C@H]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821368328 599558015 /nfs/dbraw/zinc/55/80/15/599558015.db2.gz TXQJTXAHPANMRP-LBPRGKRZSA-N 0 0 383.412 2.576 20 5 GFBDRN O=C1CCCN1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000823530301 599577498 /nfs/dbraw/zinc/57/74/98/599577498.db2.gz IPZDPSNYRCBQDR-KRWDZBQOSA-N 0 0 393.407 2.551 20 5 GFBDRN 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O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000833307900 604282372 /nfs/dbraw/zinc/28/23/72/604282372.db2.gz SJLHIHOIEWYLJQ-UHFFFAOYSA-N 0 0 378.385 2.656 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000826250173 607703705 /nfs/dbraw/zinc/70/37/05/607703705.db2.gz NZIABGBCUAMOAQ-UHFFFAOYSA-N 0 0 375.348 2.884 20 5 GFBDRN O=C([O-])CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000833225766 604802801 /nfs/dbraw/zinc/80/28/01/604802801.db2.gz PWOHYWFJOFRFED-UHFFFAOYSA-N 0 0 397.431 2.851 20 5 GFBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833240 605900483 /nfs/dbraw/zinc/90/04/83/605900483.db2.gz XBKRHAOTPGAWKT-WOPDTQHZSA-N 0 0 375.385 2.684 20 5 GFBDRN CN(Cc1cccc(-c2nn[nH]n2)c1)c1ncc([N+](=O)[O-])cc1Br ZINC000821613166 606430631 /nfs/dbraw/zinc/43/06/31/606430631.db2.gz ADSKRNWILFCRDG-UHFFFAOYSA-N 0 0 390.201 2.569 20 5 GFBDRN 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ZINC000859521580 662166175 /nfs/dbraw/zinc/16/61/75/662166175.db2.gz HKKGAEQBNLUQHL-UHFFFAOYSA-N 0 0 384.801 2.848 20 5 GFBDRN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860299990 662196546 /nfs/dbraw/zinc/19/65/46/662196546.db2.gz QIYVXHOWKMVGCZ-SECBINFHSA-N 0 0 379.722 2.531 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@H](CCF)C1 ZINC000860823463 662217054 /nfs/dbraw/zinc/21/70/54/662217054.db2.gz WQZFYSUJSWAUEY-JTQLQIEISA-N 0 0 376.182 2.950 20 5 GFBDRN O=C(OCCC[N+](=O)[O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000860921753 662220661 /nfs/dbraw/zinc/22/06/61/662220661.db2.gz WGQPPNABPPUBQC-AWEZNQCLSA-N 0 0 377.224 2.577 20 5 GFBDRN Cn1nc(C2CC2)nc1CC(=O)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000861181258 662233100 /nfs/dbraw/zinc/23/31/00/662233100.db2.gz NEAUPIVTFQUEOL-UHFFFAOYSA-N 0 0 381.186 2.511 20 5 GFBDRN C[C@@]1(Br)C[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000861321024 662238992 /nfs/dbraw/zinc/23/89/92/662238992.db2.gz FSDRRGBSBBTZMD-IINYFYTJSA-N 0 0 381.186 2.506 20 5 GFBDRN C[C@@]1(Br)C[C@@H]1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000861323439 662239914 /nfs/dbraw/zinc/23/99/14/662239914.db2.gz MNABCIAJUGXLNB-BDJLRTHQSA-N 0 0 399.241 2.762 20 5 GFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCN1CC(F)F ZINC000862696941 662298387 /nfs/dbraw/zinc/29/83/87/662298387.db2.gz PQXNJEZMCZZCEY-SNVBAGLBSA-N 0 0 379.766 2.776 20 5 GFBDRN CC(C)(C)N(Cc1ccccc1)C(=O)Cn1nc([N+](=O)[O-])nc1Br ZINC000865389452 662418403 /nfs/dbraw/zinc/41/84/03/662418403.db2.gz SAHUAMWXUIQSGK-UHFFFAOYSA-N 0 0 396.245 2.776 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[S@@](=O)Cc1ccccc1 ZINC000865530567 662427275 /nfs/dbraw/zinc/42/72/75/662427275.db2.gz NCEQEZLMZDALNJ-RUZDIDTESA-N 0 0 376.360 2.708 20 5 GFBDRN O=[N+]([O-])c1cc(CO)c(N2CCc3nccc(Br)c3C2)cc1F ZINC000865901158 662450227 /nfs/dbraw/zinc/45/02/27/662450227.db2.gz MZTCXNFTIFKCPY-UHFFFAOYSA-N 0 0 382.189 2.946 20 5 GFBDRN Cc1nc2c(n1CCO)CC[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])C2 ZINC000865903086 662450338 /nfs/dbraw/zinc/45/03/38/662450338.db2.gz CRIXTBFLBKLPTQ-LLVKDONJSA-N 0 0 395.257 2.824 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CSC[C@H]2C1 ZINC000867804568 662577330 /nfs/dbraw/zinc/57/73/30/662577330.db2.gz UGJSQWZLOPDOMJ-VHSXEESVSA-N 0 0 396.412 2.987 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000867808015 662577983 /nfs/dbraw/zinc/57/79/83/662577983.db2.gz VRCJHNGQDHNCLF-GHMZBOCLSA-N 0 0 376.887 2.930 20 5 GFBDRN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)Cc2cccnc21 ZINC000872307417 662760242 /nfs/dbraw/zinc/76/02/42/662760242.db2.gz UQRUMRJCRILCOE-UHFFFAOYSA-N 0 0 391.225 2.845 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000872615090 662780930 /nfs/dbraw/zinc/78/09/30/662780930.db2.gz ZCLNREZRMKIJPR-GMSGAONNSA-N 0 0 388.389 2.695 20 5 GFBDRN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[C@H](C(F)(F)F)O1 ZINC000872753002 662787905 /nfs/dbraw/zinc/78/79/05/662787905.db2.gz RKCHVJQACKVRFR-NKWVEPMBSA-N 0 0 376.257 2.893 20 5 GFBDRN O=C(NCc1ncc(Cl)s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000873178187 662803149 /nfs/dbraw/zinc/80/31/49/662803149.db2.gz OQDSICMPNNLCMN-UHFFFAOYSA-N 0 0 381.845 2.737 20 5 GFBDRN COC(=O)C12CCC(CC1)N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000876305097 662859420 /nfs/dbraw/zinc/85/94/20/662859420.db2.gz BCHVTLYYHNNFBB-UHFFFAOYSA-N 0 0 383.198 2.668 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2cccc(Br)c21 ZINC000876321890 662859716 /nfs/dbraw/zinc/85/97/16/662859716.db2.gz ZWUBJQCTBDEIIW-UHFFFAOYSA-N 0 0 379.214 2.842 20 5 GFBDRN O=C(CN1CCO[C@H](C(F)(F)F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880048562 662947317 /nfs/dbraw/zinc/94/73/17/662947317.db2.gz RLJUPGFYFXIVNK-LBPRGKRZSA-N 0 0 381.738 2.840 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CSCCS1 ZINC000881864148 663006740 /nfs/dbraw/zinc/00/67/40/663006740.db2.gz LUJGRIDMGFBQHS-LLVKDONJSA-N 0 0 377.285 2.822 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CSCCS1 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382.232 2.739 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3cc(Br)c(F)cc3C2)n1 ZINC000884928899 663079059 /nfs/dbraw/zinc/07/90/59/663079059.db2.gz KVMABLIXCVOYCT-UHFFFAOYSA-N 0 0 397.204 2.911 20 5 GFBDRN CCOCCOCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000885758234 663097864 /nfs/dbraw/zinc/09/78/64/663097864.db2.gz GKKJYGMYCHKRKN-UHFFFAOYSA-N 0 0 395.637 2.794 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000886364865 663108944 /nfs/dbraw/zinc/10/89/44/663108944.db2.gz PUOWLCKETRCETG-ZYHUDNBSSA-N 0 0 399.241 2.700 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2C[C@H]21 ZINC000886409018 663110668 /nfs/dbraw/zinc/11/06/68/663110668.db2.gz GOVYQFLSQGMTBH-KXNHARMFSA-N 0 0 384.841 2.654 20 5 GFBDRN CC[C@@]1(O)CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889715752 663258320 /nfs/dbraw/zinc/25/83/20/663258320.db2.gz JIQINNWIZKSBGH-OAHLLOKOSA-N 0 0 386.246 2.804 20 5 GFBDRN CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] 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381.230 2.888 20 5 GFBDRN CSc1ccc(C(=O)N2CCSC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000191986325 552544881 /nfs/dbraw/zinc/54/48/81/552544881.db2.gz JFTZXHLRLPYMHR-AWEZNQCLSA-N 0 0 378.479 2.981 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000192642426 552568221 /nfs/dbraw/zinc/56/82/21/552568221.db2.gz YKQXTFUWSKASGB-UHFFFAOYSA-N 0 0 388.854 2.686 20 5 GFBDRN CO[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000193924519 553007121 /nfs/dbraw/zinc/00/71/21/553007121.db2.gz VEQZDWCONUASOU-IUCAKERBSA-N 0 0 392.193 2.661 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1ccc(Br)cc1 ZINC000194654028 553026209 /nfs/dbraw/zinc/02/62/09/553026209.db2.gz UTCFCRCGDSBPCM-UHFFFAOYSA-N 0 0 385.239 2.977 20 5 GFBDRN O=C(c1ncccc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194882820 553032954 /nfs/dbraw/zinc/03/29/54/553032954.db2.gz OZWRSIQSOSQHMQ-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN O=C(Nc1cc(Br)c[nH]c1=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195184696 553040021 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O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000296087505 563274595 /nfs/dbraw/zinc/27/45/95/563274595.db2.gz FPHJOQZSJBWGAC-UHFFFAOYSA-N 0 0 388.873 2.954 20 5 GFBDRN CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296155016 563276953 /nfs/dbraw/zinc/27/69/53/563276953.db2.gz GZQHMHYIHOFZPE-MRVPVSSYSA-N 0 0 399.252 2.862 20 5 GFBDRN CC[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000420733049 563280505 /nfs/dbraw/zinc/28/05/05/563280505.db2.gz USFWOMGJWWPAOJ-GHMZBOCLSA-N 0 0 393.259 2.593 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](O)CC12CCC2 ZINC000420733583 563281032 /nfs/dbraw/zinc/28/10/32/563281032.db2.gz IISYJJKOXGUJDZ-SNVBAGLBSA-N 0 0 395.264 2.970 20 5 GFBDRN O=C(NC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1I ZINC000279239641 563289274 /nfs/dbraw/zinc/28/92/74/563289274.db2.gz QGIOTEHLJDLENE-MRVPVSSYSA-N 0 0 392.218 2.682 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccccc1Br ZINC000371897544 563290507 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GFBDRN CON(CC1CCOCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000282321901 563407362 /nfs/dbraw/zinc/40/73/62/563407362.db2.gz ABJSYQRJPFMLDJ-UHFFFAOYSA-N 0 0 391.193 2.927 20 5 GFBDRN CC[C@](C)(C(=O)OC)N(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000425203751 563410721 /nfs/dbraw/zinc/41/07/21/563410721.db2.gz FTXIPGKKKYJSAK-OAHLLOKOSA-N 0 0 390.483 2.707 20 5 GFBDRN CN(Cc1nc(-c2cccnc2)no1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301704343 563410752 /nfs/dbraw/zinc/41/07/52/563410752.db2.gz UZGVLRHXLXUIQL-UHFFFAOYSA-N 0 0 391.185 2.834 20 5 GFBDRN C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C(=O)OC(C)(C)C ZINC000425208534 563411345 /nfs/dbraw/zinc/41/13/45/563411345.db2.gz NADWUSGGNOKXTF-GXFFZTMASA-N 0 0 390.483 2.787 20 5 GFBDRN CN(C[C@@H]1CCC[C@@H]1O)c1ccc(I)cc1[N+](=O)[O-] ZINC000301808492 563412573 /nfs/dbraw/zinc/41/25/73/563412573.db2.gz ATIPJSQHYBAXLN-ZANVPECISA-N 0 0 376.194 2.797 20 5 GFBDRN CCN(CC)C(=O)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301863102 563413909 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GFBDRN Cc1cccnc1C1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000366546460 563813392 /nfs/dbraw/zinc/81/33/92/563813392.db2.gz UXUWLKVYQSZAAU-UHFFFAOYSA-N 0 0 391.225 2.917 20 5 GFBDRN CCc1ccc(OS(=O)(=O)c2cn(C)nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000293506134 563816005 /nfs/dbraw/zinc/81/60/05/563816005.db2.gz OAZPVZKCZUCMMM-UHFFFAOYSA-N 0 0 379.316 2.677 20 5 GFBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3c(F)cccc3Cl)nc2c1 ZINC000443989784 563817735 /nfs/dbraw/zinc/81/77/35/563817735.db2.gz RMEAJFDPSSQWNX-UHFFFAOYSA-N 0 0 384.776 2.742 20 5 GFBDRN Cc1ncsc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393877 563822363 /nfs/dbraw/zinc/82/23/63/563822363.db2.gz WHBUYSQOZUKJEU-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000416393210 563822615 /nfs/dbraw/zinc/82/26/15/563822615.db2.gz SJKCGNXSWFRIMF-PWSUYJOCSA-N 0 0 380.344 2.556 20 5 GFBDRN CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418075 563825739 /nfs/dbraw/zinc/82/57/39/563825739.db2.gz ZOENCDVXHSZYPV-ONGXEEELSA-N 0 0 384.376 2.689 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)C[C@H]1CCCCC1(F)F)CC2 ZINC000416459976 563832332 /nfs/dbraw/zinc/83/23/32/563832332.db2.gz UVSSEZVNXKMUJF-GFCCVEGCSA-N 0 0 375.397 2.503 20 5 GFBDRN C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416474523 563835100 /nfs/dbraw/zinc/83/51/00/563835100.db2.gz HCYPWWZSUSXVEY-CYBMUJFWSA-N 0 0 382.360 2.539 20 5 GFBDRN COC[C@]1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416489994 563838055 /nfs/dbraw/zinc/83/80/55/563838055.db2.gz SITNLGXYAIFRJV-CYBMUJFWSA-N 0 0 382.360 2.661 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000367264722 563838454 /nfs/dbraw/zinc/83/84/54/563838454.db2.gz ORHHFHQCNQFSHN-ZDUSSCGKSA-N 0 0 392.836 2.967 20 5 GFBDRN O=C(NC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000367332908 563840847 /nfs/dbraw/zinc/84/08/47/563840847.db2.gz KEPMCECLMHYNQX-UHFFFAOYSA-N 0 0 395.213 2.744 20 5 GFBDRN COc1cc(S(=O)(=O)N[C@H](C)c2nc3c(s2)CCC3)ccc1[N+](=O)[O-] ZINC000416531565 563844061 /nfs/dbraw/zinc/84/40/61/563844061.db2.gz FFWIGYKGZIYTLW-SECBINFHSA-N 0 0 383.451 2.588 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000416534061 563844675 /nfs/dbraw/zinc/84/46/75/563844675.db2.gz XZCJIUPOIRHWOQ-KOLCDFICSA-N 0 0 382.360 2.802 20 5 GFBDRN O=c1ccc(Br)cn1CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000445468464 563849721 /nfs/dbraw/zinc/84/97/21/563849721.db2.gz DPVPLHWRYSOBKR-UHFFFAOYSA-N 0 0 397.210 2.873 20 5 GFBDRN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593910 563851541 /nfs/dbraw/zinc/85/15/41/563851541.db2.gz PNASSULBIKWRDX-SFYZADRCSA-N 0 0 381.273 2.530 20 5 GFBDRN Cc1nn(C)c2c1N(S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)CCS2 ZINC000368684950 563876889 /nfs/dbraw/zinc/87/68/89/563876889.db2.gz NAMMYZKNZJJCHP-UHFFFAOYSA-N 0 0 382.467 2.555 20 5 GFBDRN CCOC(=O)c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000447328087 563880229 /nfs/dbraw/zinc/88/02/29/563880229.db2.gz YFHIVVLEYUAWCY-QMMMGPOBSA-N 0 0 382.423 2.742 20 5 GFBDRN O=[N+]([O-])c1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)C2)c1 ZINC000369002212 563884147 /nfs/dbraw/zinc/88/41/47/563884147.db2.gz PQHNKBRTQFYUJS-NSHDSACASA-N 0 0 388.808 2.610 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000447947008 563891884 /nfs/dbraw/zinc/89/18/84/563891884.db2.gz ZQDYWGAFANTJRO-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN Cn1c(C(=O)NC(C)(C)COc2ncccc2Br)ccc1[N+](=O)[O-] ZINC000448403247 563896996 /nfs/dbraw/zinc/89/69/96/563896996.db2.gz XISYYIKCHMLECN-UHFFFAOYSA-N 0 0 397.229 2.678 20 5 GFBDRN Cc1cc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)ncc1[N+](=O)[O-] ZINC000470864329 564179436 /nfs/dbraw/zinc/17/94/36/564179436.db2.gz ASFYLFOFFJPGEO-UHFFFAOYSA-N 0 0 380.451 2.629 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCCc2n[nH]cc21 ZINC000505368569 564181288 /nfs/dbraw/zinc/18/12/88/564181288.db2.gz LWWONJZRUASQDL-UHFFFAOYSA-N 0 0 398.160 2.516 20 5 GFBDRN Cc1nc(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ncc1[N+](=O)[O-] ZINC000450268199 564224776 /nfs/dbraw/zinc/22/47/76/564224776.db2.gz CQOZRVVSNIVFOY-LBPRGKRZSA-N 0 0 392.257 2.816 20 5 GFBDRN COc1cc(NCc2cc(I)cc([N+](=O)[O-])c2)nn1C ZINC000564415425 564233794 /nfs/dbraw/zinc/23/37/94/564233794.db2.gz PKPJCASDFJBJAB-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c([N+](=O)[O-])c1 ZINC000539952056 564234801 /nfs/dbraw/zinc/23/48/01/564234801.db2.gz GEPBAQYENGPSDL-UHFFFAOYSA-N 0 0 377.300 2.823 20 5 GFBDRN O=c1ccc(Br)cn1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000450601877 564240797 /nfs/dbraw/zinc/24/07/97/564240797.db2.gz VNDWXPLJHGFCQF-UHFFFAOYSA-N 0 0 379.214 2.599 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000540239695 564243506 /nfs/dbraw/zinc/24/35/06/564243506.db2.gz DETABCHWNQVPOL-LKFCYVNXSA-N 0 0 397.229 2.895 20 5 GFBDRN CC[C@H](CSC)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540322076 564244898 /nfs/dbraw/zinc/24/48/98/564244898.db2.gz FOTWSIYPRXQDMW-SECBINFHSA-N 0 0 383.289 2.777 20 5 GFBDRN Cn1cc(Br)c(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])n1 ZINC000450728686 564245493 /nfs/dbraw/zinc/24/54/93/564245493.db2.gz PNPXJPVIFKDSBC-UHFFFAOYSA-N 0 0 394.229 2.595 20 5 GFBDRN Cc1nc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000450888172 564253395 /nfs/dbraw/zinc/25/33/95/564253395.db2.gz KKWQTIJITBWTJD-GFCCVEGCSA-N 0 0 398.232 2.885 20 5 GFBDRN Cc1cc(N2CCC[C@@H](NC(=O)N(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000450924783 564255789 /nfs/dbraw/zinc/25/57/89/564255789.db2.gz ONRMEJCVXPAQEP-LLVKDONJSA-N 0 0 385.262 2.906 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](CCCO)C1 ZINC000450959383 564256937 /nfs/dbraw/zinc/25/69/37/564256937.db2.gz YBVOXGUXIAMFDD-SNVBAGLBSA-N 0 0 376.194 2.798 20 5 GFBDRN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000450968931 564258415 /nfs/dbraw/zinc/25/84/15/564258415.db2.gz ACMNKQSMLDMROP-UHFFFAOYSA-N 0 0 387.870 2.821 20 5 GFBDRN C[C@@H](O)C(C)(C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000541063964 564264886 /nfs/dbraw/zinc/26/48/86/564264886.db2.gz JDODUKJNTAATFF-MRVPVSSYSA-N 0 0 387.223 2.977 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC000541765097 564287760 /nfs/dbraw/zinc/28/77/60/564287760.db2.gz UDEQOEUMEIZBHN-CYBMUJFWSA-N 0 0 388.804 2.708 20 5 GFBDRN C[C@@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1O ZINC000509310630 564292078 /nfs/dbraw/zinc/29/20/78/564292078.db2.gz MUIHJRBXHFIBAG-AMIZOPFISA-N 0 0 385.207 2.540 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000542217431 564304826 /nfs/dbraw/zinc/30/48/26/564304826.db2.gz SPKCMEFHGJTZMI-UHFFFAOYSA-N 0 0 395.135 2.635 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000475887581 564323608 /nfs/dbraw/zinc/32/36/08/564323608.db2.gz JNIJHLMCIFIJNF-GFCCVEGCSA-N 0 0 377.194 2.736 20 5 GFBDRN COC1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000451611689 564331358 /nfs/dbraw/zinc/33/13/58/564331358.db2.gz LUSRLPLJGYIZNM-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(C(F)(F)F)CC2)c2ncccc12 ZINC000510507789 564336591 /nfs/dbraw/zinc/33/65/91/564336591.db2.gz KSMOAFQYJRVLKK-UHFFFAOYSA-N 0 0 375.328 2.764 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000451681239 564339120 /nfs/dbraw/zinc/33/91/20/564339120.db2.gz NSIUJKLOCALTFB-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000543631792 564357115 /nfs/dbraw/zinc/35/71/15/564357115.db2.gz LHFZBHVKIUDHOW-SECBINFHSA-N 0 0 378.834 2.519 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000476894502 564357674 /nfs/dbraw/zinc/35/76/74/564357674.db2.gz GIOBNXQPDGKQFV-LLVKDONJSA-N 0 0 382.419 2.911 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1SCC(=O)Nc1ccc(F)cc1 ZINC000543849032 564366729 /nfs/dbraw/zinc/36/67/29/564366729.db2.gz GGZPKHHQHVFPLZ-UHFFFAOYSA-N 0 0 384.410 2.868 20 5 GFBDRN COc1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cccc1C(N)=O ZINC000543875253 564367543 /nfs/dbraw/zinc/36/75/43/564367543.db2.gz QNNBLHJKWLHKFJ-UHFFFAOYSA-N 0 0 394.181 2.717 20 5 GFBDRN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000567437936 564372093 /nfs/dbraw/zinc/37/20/93/564372093.db2.gz MLKJGSQTAVBJBW-VXGBXAGGSA-N 0 0 378.182 2.744 20 5 GFBDRN CO[C@H]([C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000913 564379386 /nfs/dbraw/zinc/37/93/86/564379386.db2.gz XGKRXEKPRXEQIY-AMIZOPFISA-N 0 0 382.360 2.705 20 5 GFBDRN Cc1c(Br)c(NC[C@@H](O)CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000544446463 564386156 /nfs/dbraw/zinc/38/61/56/564386156.db2.gz NFONWRMQXKWNJM-ZDUSSCGKSA-N 0 0 380.242 2.888 20 5 GFBDRN O=C(COc1ccsc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000512710447 564408512 /nfs/dbraw/zinc/40/85/12/564408512.db2.gz SOAJFODXMCTGNS-JTQLQIEISA-N 0 0 382.829 2.797 20 5 GFBDRN CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000452484372 564417946 /nfs/dbraw/zinc/41/79/46/564417946.db2.gz MEWLBEKKRJDWQH-ONGXEEELSA-N 0 0 381.173 2.800 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)nc12 ZINC000545407110 564421636 /nfs/dbraw/zinc/42/16/36/564421636.db2.gz RXJCRAVSLORTRV-UHFFFAOYSA-N 0 0 390.197 2.638 20 5 GFBDRN O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000513737103 564436992 /nfs/dbraw/zinc/43/69/92/564436992.db2.gz UUNOQRUGXZVYFM-VIFPVBQESA-N 0 0 391.243 2.511 20 5 GFBDRN Nc1nccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000568897987 564440038 /nfs/dbraw/zinc/44/00/38/564440038.db2.gz AWLRJYDSTKIRIU-LLVKDONJSA-N 0 0 391.225 2.795 20 5 GFBDRN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])cnc3N)s2)cs1 ZINC000546080163 564443875 /nfs/dbraw/zinc/44/38/75/564443875.db2.gz RCHZZVBSCBWCDT-UHFFFAOYSA-N 0 0 375.435 2.995 20 5 GFBDRN CN(C(=O)[C@H]1COc2ccc(Br)cc21)c1ccc([N+](=O)[O-])nc1 ZINC000569049268 564446366 /nfs/dbraw/zinc/44/63/66/564446366.db2.gz PJVPYXFWIFXLKI-LBPRGKRZSA-N 0 0 378.182 2.891 20 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564486607 /nfs/dbraw/zinc/48/66/07/564486607.db2.gz BBHVAAFRPWUKTR-NSHDSACASA-N 0 0 382.360 2.635 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000481051686 564501314 /nfs/dbraw/zinc/50/13/14/564501314.db2.gz CHGWMPJGFBJRQN-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000481270854 564508332 /nfs/dbraw/zinc/50/83/32/564508332.db2.gz WWAOXLYWEZVBDL-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN COc1ccc(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)c([N+](=O)[O-])c1 ZINC000481884701 564527329 /nfs/dbraw/zinc/52/73/29/564527329.db2.gz DSOCLEJGRSDENA-UHFFFAOYSA-N 0 0 384.797 2.993 20 5 GFBDRN COC(=O)c1cnc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000481976961 564530749 /nfs/dbraw/zinc/53/07/49/564530749.db2.gz YIISHNDNDAMFLA-UHFFFAOYSA-N 0 0 383.407 2.821 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000517577588 564536682 /nfs/dbraw/zinc/53/66/82/564536682.db2.gz GUNCOPKCXONECF-AWEZNQCLSA-N 0 0 383.495 2.748 20 5 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CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594604031 565401867 /nfs/dbraw/zinc/40/18/67/565401867.db2.gz WSJLDKZIZHIXTL-GWCFXTLKSA-N 0 0 382.360 2.910 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594819076 565425066 /nfs/dbraw/zinc/42/50/66/565425066.db2.gz NSTYCQQNNKKUAG-ZDUSSCGKSA-N 0 0 382.360 2.763 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000594842320 565428523 /nfs/dbraw/zinc/42/85/23/565428523.db2.gz FKNKNCJTRRSIHW-AWEZNQCLSA-N 0 0 395.264 2.827 20 5 GFBDRN C[C@@H](NC(=O)[C@H](C)Sc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000594901211 565434738 /nfs/dbraw/zinc/43/47/38/565434738.db2.gz GVVAXCJBKRWUBN-BDAKNGLRSA-N 0 0 381.845 2.809 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595415316 565475957 /nfs/dbraw/zinc/47/59/57/565475957.db2.gz LVDJPCFRIKEIHT-OQPBUACISA-N 0 0 384.788 2.681 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(c2ncns2)CC1 ZINC000595515656 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CS(=O)(=O)CC1(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000596442300 565524016 /nfs/dbraw/zinc/52/40/16/565524016.db2.gz BTVZSVVCUVKHPL-UHFFFAOYSA-N 0 0 375.834 2.585 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C(C)(C)C1(F)F ZINC000596513456 565526155 /nfs/dbraw/zinc/52/61/55/565526155.db2.gz XLUVJXOQTXNTRG-CYBMUJFWSA-N 0 0 377.413 2.986 20 5 GFBDRN O=C1[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000596562214 565527688 /nfs/dbraw/zinc/52/76/88/565527688.db2.gz PFVOPHRPRMTUGG-LBPRGKRZSA-N 0 0 383.246 2.520 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2nn(C(C)(C)C)cc2Br)n1 ZINC000596592179 565528428 /nfs/dbraw/zinc/52/84/28/565528428.db2.gz KWVWJIIDIZQQLZ-UHFFFAOYSA-N 0 0 396.205 2.759 20 5 GFBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC12COC2 ZINC000597730555 565572830 /nfs/dbraw/zinc/57/28/30/565572830.db2.gz GCDYRWSOKFGMMN-UHFFFAOYSA-N 0 0 383.191 2.702 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(CCOCCO)C1CCC1 ZINC000597856233 565578698 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565704814 /nfs/dbraw/zinc/70/48/14/565704814.db2.gz MYGFVGPYFBNEGC-SECBINFHSA-N 0 0 395.213 2.649 20 5 GFBDRN C[C@]1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600065965 565713090 /nfs/dbraw/zinc/71/30/90/565713090.db2.gz DKOJFOGVGGSAIB-ORMTXKICSA-N 0 0 396.241 2.848 20 5 GFBDRN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600595539 565738449 /nfs/dbraw/zinc/73/84/49/565738449.db2.gz QIBKHPPPOXRJDO-DGCLKSJQSA-N 0 0 393.241 2.958 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC000601463438 565786306 /nfs/dbraw/zinc/78/63/06/565786306.db2.gz CLXAKHVYRKGJOP-CYBMUJFWSA-N 0 0 386.426 2.866 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H](C(F)F)CC1 ZINC000601798190 565803947 /nfs/dbraw/zinc/80/39/47/565803947.db2.gz GJCROYFJOFZWTL-LBPRGKRZSA-N 0 0 393.184 2.782 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601805479 565805167 /nfs/dbraw/zinc/80/51/67/565805167.db2.gz XRDXBEUBPMBSMI-NSHDSACASA-N 0 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GFBDRN CSc1cccc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 ZINC000609840442 566055312 /nfs/dbraw/zinc/05/53/12/566055312.db2.gz LXRRFMXPFPOWMC-UHFFFAOYSA-N 0 0 381.435 2.525 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032944 566062152 /nfs/dbraw/zinc/06/21/52/566062152.db2.gz YAVBNEAVMWYBOF-UHFFFAOYSA-N 0 0 397.210 2.806 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1SC ZINC000610067570 566063368 /nfs/dbraw/zinc/06/33/68/566063368.db2.gz OINXECNAQFYQDI-LBPRGKRZSA-N 0 0 380.344 2.729 20 5 GFBDRN C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610283431 566075350 /nfs/dbraw/zinc/07/53/50/566075350.db2.gz ITYUBKVDELUGJO-TVQRCGJNSA-N 0 0 394.229 2.697 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610409108 566079676 /nfs/dbraw/zinc/07/96/76/566079676.db2.gz GNQCKLNPZIMWPC-GMSGAONNSA-N 0 0 388.751 2.589 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C 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O=[N+]([O-])c1ccc2nc(NCc3ccc(O)c(F)c3)cc(-c3nn[nH]n3)c2c1 ZINC000823644264 599567862 /nfs/dbraw/zinc/56/78/62/599567862.db2.gz IHTNSFUBYCYATE-UHFFFAOYSA-N 0 0 381.327 2.780 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)c3cccs3)cc(-c3nn[nH]n3)c2c1 ZINC000823644686 599571749 /nfs/dbraw/zinc/57/17/49/599571749.db2.gz KLHWPBJRTVWELQ-AWEZNQCLSA-N 0 0 397.420 2.920 20 5 GFBDRN COc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821772839 607407572 /nfs/dbraw/zinc/40/75/72/607407572.db2.gz RYCOTKIORBNWFB-UHFFFAOYSA-N 0 0 398.379 2.823 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821745249 607412105 /nfs/dbraw/zinc/41/21/05/607412105.db2.gz LYLLWGIRCUCSJS-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000821736407 607418012 /nfs/dbraw/zinc/41/80/12/607418012.db2.gz JCEFFWTYTKJYAY-UHFFFAOYSA-N 0 0 397.391 2.805 20 5 GFBDRN 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O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CC1(Cl)Cl ZINC000826450240 607525087 /nfs/dbraw/zinc/52/50/87/607525087.db2.gz CJAZBEOXOCKOIO-RXMQYKEDSA-N 0 0 377.575 2.561 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cc(F)cc(F)c1 ZINC000826450940 607525455 /nfs/dbraw/zinc/52/54/55/607525455.db2.gz JJSVOPNVRBXXGB-UHFFFAOYSA-N 0 0 380.698 2.959 20 5 GFBDRN O=C([O-])NC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000740612991 602572148 /nfs/dbraw/zinc/57/21/48/602572148.db2.gz KSWSOQCRTUYCQH-INIZCTEOSA-N 0 0 379.413 2.767 20 5 GFBDRN Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826272092 607580471 /nfs/dbraw/zinc/58/04/71/607580471.db2.gz UFHBTGKPMMPUNR-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=C([O-])[C@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 ZINC000833166912 604988418 /nfs/dbraw/zinc/98/84/18/604988418.db2.gz WOOZHYKCMVADET-CQSZACIVSA-N 0 0 384.314 2.836 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000834187110 605448481 /nfs/dbraw/zinc/44/84/81/605448481.db2.gz YHDWAHDKHICUEU-VHDGCEQUSA-N 0 0 387.396 2.513 20 5 GFBDRN O=[N+]([O-])c1cnn(CCSc2nc(-c3ccccc3)ccc2-c2nn[nH]n2)c1 ZINC000823652207 606046851 /nfs/dbraw/zinc/04/68/51/606046851.db2.gz WNGCIZQWPUDEKK-UHFFFAOYSA-N 0 0 394.420 2.826 20 5 GFBDRN O=C1[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000823512586 606106565 /nfs/dbraw/zinc/10/65/65/606106565.db2.gz OZPZHVNFEBBDRT-AWEZNQCLSA-N 0 0 399.798 2.646 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821343287 606221410 /nfs/dbraw/zinc/22/14/10/606221410.db2.gz NKZVUQJJFHXQPQ-UHFFFAOYSA-N 0 0 386.343 2.703 20 5 GFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1noc(Cc2ccccc2)n1 ZINC000820461332 606429996 /nfs/dbraw/zinc/42/99/96/606429996.db2.gz HWPOQWDMIWNAEV-NSHDSACASA-N 0 0 392.379 2.922 20 5 GFBDRN O=C(c1cc(-c2nn[nH]n2)cs1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000823472543 606518671 /nfs/dbraw/zinc/51/86/71/606518671.db2.gz QHGVOPFDKVDKDM-OAHLLOKOSA-N 0 0 388.434 2.724 20 5 GFBDRN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820086986 606537479 /nfs/dbraw/zinc/53/74/79/606537479.db2.gz IVYPGYPBJKYREV-UHFFFAOYSA-N 0 0 395.423 2.656 20 5 GFBDRN CC(C)(NC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819988221 606585887 /nfs/dbraw/zinc/58/58/87/606585887.db2.gz URPIGTDTJBQYBP-UHFFFAOYSA-N 0 0 381.396 2.509 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCc1ccccc1C(F)(F)F ZINC000823625122 606702145 /nfs/dbraw/zinc/70/21/45/606702145.db2.gz PSOVXLBKTIGLEU-UHFFFAOYSA-N 0 0 379.302 2.843 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC000823619817 606712246 /nfs/dbraw/zinc/71/22/46/606712246.db2.gz BOSGXYQATCCNSK-JTQLQIEISA-N 0 0 396.194 2.622 20 5 GFBDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 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WIIIANSVOBKELF-UHFFFAOYSA-N 0 0 382.380 2.506 20 5 GFBDRN Cc1nc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c2ccccn12 ZINC000826323738 608163774 /nfs/dbraw/zinc/16/37/74/608163774.db2.gz POICLHFGPIBNPQ-UHFFFAOYSA-N 0 0 398.770 2.637 20 5 GFBDRN C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824651401 608273565 /nfs/dbraw/zinc/27/35/65/608273565.db2.gz ZIZIHZOSIHADAF-MRVPVSSYSA-N 0 0 390.201 2.527 20 5 GFBDRN CSc1ccc(C(=O)OCc2cccc(-c3nn[nH]n3)c2F)cc1[N+](=O)[O-] ZINC000826230503 608435327 /nfs/dbraw/zinc/43/53/27/608435327.db2.gz WYTRJLGNQRVMLW-UHFFFAOYSA-N 0 0 389.368 2.993 20 5 GFBDRN O=C(CSc1ccccc1[N+](=O)[O-])OCc1cccc(-c2nn[nH]n2)c1F ZINC000826420787 608435417 /nfs/dbraw/zinc/43/54/17/608435417.db2.gz CAJDQWUSXUZVCC-UHFFFAOYSA-N 0 0 389.368 2.750 20 5 GFBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cccc(-c2nn[nH]n2)c1F ZINC000826424256 608445174 /nfs/dbraw/zinc/44/51/74/608445174.db2.gz CPUJHUJJNSBXIV-UHFFFAOYSA-N 0 0 396.338 2.612 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1F)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826466319 608455548 /nfs/dbraw/zinc/45/55/48/608455548.db2.gz XLBYIFWXNZJXIC-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1OC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000826173941 608828266 /nfs/dbraw/zinc/82/82/66/608828266.db2.gz BRJGTFZMFDNORX-UHFFFAOYSA-N 0 0 383.364 2.928 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466020 609353046 /nfs/dbraw/zinc/35/30/46/609353046.db2.gz MHOJJDFCZYLVAY-UHFFFAOYSA-N 0 0 393.281 2.749 20 5 GFBDRN COc1cc(COC(=O)C=Cc2ccccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826180075 609462450 /nfs/dbraw/zinc/46/24/50/609462450.db2.gz RCYQBRJRUFTQJR-VQHVLOKHSA-N 0 0 381.348 2.540 20 5 GFBDRN CON1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000817696559 660205843 /nfs/dbraw/zinc/20/58/43/660205843.db2.gz DOUXDSQKNMMVLT-UHFFFAOYSA-N 0 0 392.637 2.766 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H](n2ccnn2)C1 ZINC000819640174 660265982 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Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000820630918 660301240 /nfs/dbraw/zinc/30/12/40/660301240.db2.gz MWHWURCSCKKUQG-QMMMGPOBSA-N 0 0 385.193 2.879 20 5 GFBDRN O=[N+]([O-])c1c(Br)cccc1Sc1nnnn1C1CCOCC1 ZINC000820658591 660301871 /nfs/dbraw/zinc/30/18/71/660301871.db2.gz PQKCWCMBVMSZNO-UHFFFAOYSA-N 0 0 386.231 2.847 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000822322037 660342945 /nfs/dbraw/zinc/34/29/45/660342945.db2.gz IETYNEFPBYGHKK-CYBMUJFWSA-N 0 0 394.229 2.621 20 5 GFBDRN C[C@@]1(CCOC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@@]1(F)Cl ZINC000822056306 660339651 /nfs/dbraw/zinc/33/96/51/660339651.db2.gz HTTSMCHMWVJHGF-KGLIPLIRSA-N 0 0 379.793 2.860 20 5 GFBDRN C[C@]1(CCOC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@@]1(F)Cl ZINC000822056303 660339674 /nfs/dbraw/zinc/33/96/74/660339674.db2.gz HTTSMCHMWVJHGF-KBPBESRZSA-N 0 0 379.793 2.860 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCn3ccnc32)c1 ZINC000824533211 660396113 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COCC1=CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295097658 563228767 /nfs/dbraw/zinc/22/87/67/563228767.db2.gz GPVOTFBISUFYOF-UHFFFAOYSA-N 0 0 381.237 2.869 20 5 GFBDRN Cc1c([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1C ZINC000295227029 563236734 /nfs/dbraw/zinc/23/67/34/563236734.db2.gz SCWGRJRUYHMYSQ-ZETCQYMHSA-N 0 0 393.252 2.983 20 5 GFBDRN CO[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[C@H]1C ZINC000295233905 563237587 /nfs/dbraw/zinc/23/75/87/563237587.db2.gz ZJDOOLRSRGXVQB-LDYMZIIASA-N 0 0 383.253 2.947 20 5 GFBDRN Cc1c(Br)cc(-c2nc(CC(=O)NC3CC3)no2)cc1[N+](=O)[O-] ZINC000278110885 563240938 /nfs/dbraw/zinc/24/09/38/563240938.db2.gz QEJMMZZFYFZUFU-UHFFFAOYSA-N 0 0 381.186 2.537 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295437592 563247411 /nfs/dbraw/zinc/24/74/11/563247411.db2.gz WIOKVYGWJWSCBU-LLVKDONJSA-N 0 0 376.862 2.728 20 5 GFBDRN C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000419841175 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563388607 /nfs/dbraw/zinc/38/86/07/563388607.db2.gz LCYSEWWLWOZCIH-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCCC1 ZINC000299718968 563390689 /nfs/dbraw/zinc/39/06/89/563390689.db2.gz YFAVNBMSGZKRRM-UHFFFAOYSA-N 0 0 385.214 2.963 20 5 GFBDRN O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000301143231 563393446 /nfs/dbraw/zinc/39/34/46/563393446.db2.gz JQGOMEGYZMTZGH-UHFFFAOYSA-N 0 0 379.214 2.984 20 5 GFBDRN C[C@]1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000301474355 563404316 /nfs/dbraw/zinc/40/43/16/563404316.db2.gz ABSDYHRQEWQAPX-DZGCQCFKSA-N 0 0 378.397 2.944 20 5 GFBDRN Cc1cc(N2CCC[C@H](N3CCNC3=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000375469673 563406284 /nfs/dbraw/zinc/40/62/84/563406284.db2.gz OBEKXJUIJLDWOM-NSHDSACASA-N 0 0 383.246 2.660 20 5 GFBDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301616712 563408901 /nfs/dbraw/zinc/40/89/01/563408901.db2.gz VXBHACBYMPCDQA-JOYOIKCWSA-N 0 0 381.376 2.743 20 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CO[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000302591821 563426854 /nfs/dbraw/zinc/42/68/54/563426854.db2.gz WONCBXNRBJAGKJ-NOZJJQNGSA-N 0 0 382.360 2.750 20 5 GFBDRN Cc1cc(N2CCN(c3cccnn3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302714947 563428414 /nfs/dbraw/zinc/42/84/14/563428414.db2.gz XYCFJFJAHIFNNI-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN CCc1n[nH]c(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)n1 ZINC000302727075 563428845 /nfs/dbraw/zinc/42/88/45/563428845.db2.gz PUCUNVAKVZFJJY-UHFFFAOYSA-N 0 0 381.234 2.817 20 5 GFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc([N+](=O)[O-])cc(Br)c4F)[C@H]1[C@H]3C2 ZINC000376082643 563429048 /nfs/dbraw/zinc/42/90/48/563429048.db2.gz SEOKUPDSFRVKRX-WUENMSDESA-N 0 0 399.216 2.992 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](n2ccnn2)C1 ZINC000425669190 563430873 /nfs/dbraw/zinc/43/08/73/563430873.db2.gz BHXPNISITPJUPN-LBPRGKRZSA-N 0 0 395.217 2.818 20 5 GFBDRN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c(C)n1C ZINC000322250683 563449154 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ZINC000364472921 563754776 /nfs/dbraw/zinc/75/47/76/563754776.db2.gz QEFVYUJKWWMMII-LLVKDONJSA-N 0 0 384.483 2.807 20 5 GFBDRN COC(=O)[C@@]1(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000291731154 563756646 /nfs/dbraw/zinc/75/66/46/563756646.db2.gz MNALWPOHZIWSMN-CYBMUJFWSA-N 0 0 379.221 2.680 20 5 GFBDRN O=C(CN1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642825 563762874 /nfs/dbraw/zinc/76/28/74/563762874.db2.gz COAXVRRMOHNTDF-NWDGAFQWSA-N 0 0 398.257 2.654 20 5 GFBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCn2c(Br)cnc2C1 ZINC000364842892 563765762 /nfs/dbraw/zinc/76/57/62/563765762.db2.gz DJCYIBGLANWKJC-ZZXKWVIFSA-N 0 0 377.198 2.609 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364893642 563768004 /nfs/dbraw/zinc/76/80/04/563768004.db2.gz IMXZSMAUBPUZNS-IINYFYTJSA-N 0 0 382.825 2.747 20 5 GFBDRN C[C@H]([C@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000292029082 563770463 /nfs/dbraw/zinc/77/04/63/563770463.db2.gz KKUOPEROFOQXMV-JGVFFNPUSA-N 0 0 383.253 2.795 20 5 GFBDRN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000365300083 563780288 /nfs/dbraw/zinc/78/02/88/563780288.db2.gz SAYYTUMEZCGOQK-LBPRGKRZSA-N 0 0 380.813 2.948 20 5 GFBDRN Cc1nnsc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000292283303 563781363 /nfs/dbraw/zinc/78/13/63/563781363.db2.gz MMEPXITZSALYIE-UHFFFAOYSA-N 0 0 382.345 2.660 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC(F)(F)C2)c(Br)c1 ZINC000292390294 563785071 /nfs/dbraw/zinc/78/50/71/563785071.db2.gz SDXKPMVEMCLFPN-UHFFFAOYSA-N 0 0 385.186 2.681 20 5 GFBDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CCO2 ZINC000292406295 563785444 /nfs/dbraw/zinc/78/54/44/563785444.db2.gz SEVORYPCTWOADM-VFZGTOFNSA-N 0 0 375.208 2.922 20 5 GFBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000292491919 563788407 /nfs/dbraw/zinc/78/84/07/563788407.db2.gz MSZRORCQDLSHSN-SNVBAGLBSA-N 0 0 386.246 2.640 20 5 GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000292612884 563791560 /nfs/dbraw/zinc/79/15/60/563791560.db2.gz WWLXFJLUAXGWAB-QMMMGPOBSA-N 0 0 392.275 2.701 20 5 GFBDRN O=C(NCc1noc2c1CCCC2)c1cc([N+](=O)[O-])ncc1Br ZINC000366463124 563809180 /nfs/dbraw/zinc/80/91/80/563809180.db2.gz QCFLPRVSZJEJON-UHFFFAOYSA-N 0 0 381.186 2.549 20 5 GFBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@]2(CCCOC2)O1 ZINC000366490867 563810798 /nfs/dbraw/zinc/81/07/98/563810798.db2.gz RKBKVLKZZASVAV-BZNIZROVSA-N 0 0 399.241 2.767 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1c[nH]c2ncccc12 ZINC000443759123 563811679 /nfs/dbraw/zinc/81/16/79/563811679.db2.gz GQAZBUKLBMJIDW-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN CCCN([C@H](C)C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443975171 563817228 /nfs/dbraw/zinc/81/72/28/563817228.db2.gz YPDXPXWZVRPBHD-SNVBAGLBSA-N 0 0 378.834 2.601 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CF)cc(Br)cc1[N+](=O)[O-] ZINC000293533727 563817425 /nfs/dbraw/zinc/81/74/25/563817425.db2.gz NXFQOZIIVXNUPC-JTQLQIEISA-N 0 0 388.193 2.565 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)c(C)cc1[N+](=O)[O-] ZINC000416368620 563818417 /nfs/dbraw/zinc/81/84/17/563818417.db2.gz HRDOLJZRKWLBMV-AWEZNQCLSA-N 0 0 383.495 2.854 20 5 GFBDRN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444274 563829619 /nfs/dbraw/zinc/82/96/19/563829619.db2.gz XTNJYRVYRHRBCB-MWLCHTKSSA-N 0 0 382.360 2.538 20 5 GFBDRN C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000294071178 563831041 /nfs/dbraw/zinc/83/10/41/563831041.db2.gz ADOGZLFFZXLJKO-PVBMHHQDSA-N 0 0 390.259 2.732 20 5 GFBDRN CCOC(=O)[C@H](F)C1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000294296288 563837608 /nfs/dbraw/zinc/83/76/08/563837608.db2.gz UNNKFYXLWWOKHF-CQSZACIVSA-N 0 0 390.820 2.700 20 5 GFBDRN C[C@H]1COCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490020 563838097 /nfs/dbraw/zinc/83/80/97/563838097.db2.gz TWZUXYUJQDWHHU-VHSXEESVSA-N 0 0 382.360 2.565 20 5 GFBDRN COc1c(S(=O)(=O)NC2CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000416506564 563840873 /nfs/dbraw/zinc/84/08/73/563840873.db2.gz JCZUYJJUTOMFOI-UHFFFAOYSA-N 0 0 379.232 2.505 20 5 GFBDRN CCC(C)(C)OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416522872 563842823 /nfs/dbraw/zinc/84/28/23/563842823.db2.gz HEACGQBSOHZHSA-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN COc1cccc2c1C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000416543584 563845755 /nfs/dbraw/zinc/84/57/55/563845755.db2.gz GVCOXJYUOAFFDO-LBPRGKRZSA-N 0 0 382.825 2.703 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCO[C@H]3CCC[C@H]32)c1 ZINC000367559059 563848675 /nfs/dbraw/zinc/84/86/75/563848675.db2.gz ISRDHWFXHXTTHR-NEPJUHHUSA-N 0 0 378.809 2.719 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416597923 563851273 /nfs/dbraw/zinc/85/12/73/563851273.db2.gz GLMQXWVTPMNNMI-KXUCPTDWSA-N 0 0 382.360 2.705 20 5 GFBDRN Cc1nc2sccn2c1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000445759607 563854630 /nfs/dbraw/zinc/85/46/30/563854630.db2.gz NUZLMKMLSQXYJW-UHFFFAOYSA-N 0 0 386.480 2.803 20 5 GFBDRN COC(=O)CCC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446109140 563858897 /nfs/dbraw/zinc/85/88/97/563858897.db2.gz RQXCZVWRPBEKGD-UHFFFAOYSA-N 0 0 387.230 2.748 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000367947427 563860078 /nfs/dbraw/zinc/86/00/78/563860078.db2.gz JJYDVTLHKYZGFJ-CQSZACIVSA-N 0 0 384.845 2.612 20 5 GFBDRN O=C(Nc1ccc(Br)nc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368414327 563870166 /nfs/dbraw/zinc/87/01/66/563870166.db2.gz WHFAEMPBQFXFHC-NSHDSACASA-N 0 0 395.217 2.818 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000446951112 563871174 /nfs/dbraw/zinc/87/11/74/563871174.db2.gz SLTDNZHPORTVAG-SECBINFHSA-N 0 0 386.227 2.792 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000368682471 563876945 /nfs/dbraw/zinc/87/69/45/563876945.db2.gz JHAVRRXEBBHVIA-INIZCTEOSA-N 0 0 382.463 2.564 20 5 GFBDRN CCOC(=O)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000447331908 563880073 /nfs/dbraw/zinc/88/00/73/563880073.db2.gz TYJVYOJQCIHJKH-UHFFFAOYSA-N 0 0 382.423 2.662 20 5 GFBDRN CCOC(=O)c1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000447323048 563880207 /nfs/dbraw/zinc/88/02/07/563880207.db2.gz DCQBQHIYFUACDV-MRVPVSSYSA-N 0 0 382.423 2.742 20 5 GFBDRN CSc1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000368871995 563880537 /nfs/dbraw/zinc/88/05/37/563880537.db2.gz FKEHKYPIVLEWOK-CQSZACIVSA-N 0 0 377.447 2.692 20 5 GFBDRN Cn1c(C(=O)Nc2ccnn2-c2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000448543488 563897741 /nfs/dbraw/zinc/89/77/41/563897741.db2.gz ONLCCTVEIFGSKX-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN COC(=O)c1sccc1S(=O)(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000538012466 564179838 /nfs/dbraw/zinc/17/98/38/564179838.db2.gz AKASIZASRTXHBB-UHFFFAOYSA-N 0 0 382.419 2.503 20 5 GFBDRN CS(=O)(=O)N1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000563322116 564186334 /nfs/dbraw/zinc/18/63/34/564186334.db2.gz SEKHDBNEEPVOCY-LLVKDONJSA-N 0 0 392.275 2.583 20 5 GFBDRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc(OC)c1Br ZINC000538361423 564188977 /nfs/dbraw/zinc/18/89/77/564188977.db2.gz CUDARXWHUUFKHH-UHFFFAOYSA-N 0 0 384.186 2.965 20 5 GFBDRN CCOc1cc(OCc2ccc(S(=O)(=O)N(C)C)s2)ccc1[N+](=O)[O-] ZINC000563535258 564196678 /nfs/dbraw/zinc/19/66/78/564196678.db2.gz QXLWYOJKORVIQZ-UHFFFAOYSA-N 0 0 386.451 2.884 20 5 GFBDRN CCc1nc(C)c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000506123093 564197063 /nfs/dbraw/zinc/19/70/63/564197063.db2.gz QAIAPDBIRMEWME-UHFFFAOYSA-N 0 0 380.451 2.752 20 5 GFBDRN COCCN(C(C)=O)c1nc(COc2c(Cl)cncc2[N+](=O)[O-])cs1 ZINC000506442692 564202122 /nfs/dbraw/zinc/20/21/22/564202122.db2.gz AVOKMFMCYLRXDV-UHFFFAOYSA-N 0 0 386.817 2.678 20 5 GFBDRN C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000538943737 564206552 /nfs/dbraw/zinc/20/65/52/564206552.db2.gz RSHPLEXJRMQQFL-PRHODGIISA-N 0 0 383.253 2.683 20 5 GFBDRN Cc1c(Br)c(N2CCN(C(=O)C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000564284504 564227402 /nfs/dbraw/zinc/22/74/02/564227402.db2.gz PQEJLWULQIPNJT-UHFFFAOYSA-N 0 0 385.262 2.755 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Br)c(=O)[nH]c1C ZINC000507765294 564242806 /nfs/dbraw/zinc/24/28/06/564242806.db2.gz CBUWKGMJNLQZSP-UHFFFAOYSA-N 0 0 396.197 2.705 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2cc(Br)ccc2F)nc1 ZINC000450849698 564251398 /nfs/dbraw/zinc/25/13/98/564251398.db2.gz UHTSORMLPRTMFQ-JTQLQIEISA-N 0 0 384.205 2.576 20 5 GFBDRN Cc1nc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000450888173 564253202 /nfs/dbraw/zinc/25/32/02/564253202.db2.gz KKWQTIJITBWTJD-LBPRGKRZSA-N 0 0 398.232 2.885 20 5 GFBDRN CCO[C@@H]1COC[C@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450895259 564254097 /nfs/dbraw/zinc/25/40/97/564254097.db2.gz IVMAQOHGYXABCP-TZMCWYRMSA-N 0 0 382.214 2.543 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000450890896 564254338 /nfs/dbraw/zinc/25/43/38/564254338.db2.gz XJOOJHGZCLLIJE-VIFPVBQESA-N 0 0 390.234 2.638 20 5 GFBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])N1CCCC1 ZINC000508162279 564256421 /nfs/dbraw/zinc/25/64/21/564256421.db2.gz LUVWBSAVHWXYPH-UHFFFAOYSA-N 0 0 380.198 2.907 20 5 GFBDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894591 564259305 /nfs/dbraw/zinc/25/93/05/564259305.db2.gz ATOLWKVKAQDPKP-YGRLFVJLSA-N 0 0 385.829 2.698 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccccc1Br ZINC000541059014 564265332 /nfs/dbraw/zinc/26/53/32/564265332.db2.gz DBELKQAQVLKWOU-CYBMUJFWSA-N 0 0 382.214 2.549 20 5 GFBDRN O=C(NC[C@H]1CCCCS1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000541269990 564271744 /nfs/dbraw/zinc/27/17/44/564271744.db2.gz MZFICDRJDGRYFW-VXGBXAGGSA-N 0 0 383.495 2.663 20 5 GFBDRN CC(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000509139604 564283741 /nfs/dbraw/zinc/28/37/41/564283741.db2.gz PUXDTFDDAXZQJQ-UHFFFAOYSA-N 0 0 383.447 2.751 20 5 GFBDRN CNS(=O)(=O)c1ccc(N[C@@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474774915 564289600 /nfs/dbraw/zinc/28/96/00/564289600.db2.gz MWDQIGLZSLXDTA-CYBMUJFWSA-N 0 0 383.813 2.702 20 5 GFBDRN CC(=O)NCCN(Cc1ccc(C)s1)c1nc2sccn2c1[N+](=O)[O-] ZINC000509505473 564301951 /nfs/dbraw/zinc/30/19/51/564301951.db2.gz FLXIPQYBSCOXME-UHFFFAOYSA-N 0 0 379.467 2.817 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000566024191 564307059 /nfs/dbraw/zinc/30/70/59/564307059.db2.gz KUQLGPSNMMQILB-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000475643121 564314587 /nfs/dbraw/zinc/31/45/87/564314587.db2.gz ISHCWPMDVNAWJV-GXTWGEPZSA-N 0 0 386.495 2.745 20 5 GFBDRN CC[C@H](C)[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000509831348 564314811 /nfs/dbraw/zinc/31/48/11/564314811.db2.gz ZXFCITCHQSZBSQ-SDBXPKJASA-N 0 0 387.230 2.983 20 5 GFBDRN CCOC[C@H](C)CS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000451465071 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/nfs/dbraw/zinc/76/61/25/564766125.db2.gz OQXHARFBDDKAEL-UHFFFAOYSA-N 0 0 394.225 2.574 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000490455695 564772393 /nfs/dbraw/zinc/77/23/93/564772393.db2.gz XKSPDMJEZHZAOK-LLVKDONJSA-N 0 0 385.442 2.661 20 5 GFBDRN CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000490451668 564772657 /nfs/dbraw/zinc/77/26/57/564772657.db2.gz GUIZRBLOFKHXMQ-UHFFFAOYSA-N 0 0 379.316 2.815 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000490557462 564776450 /nfs/dbraw/zinc/77/64/50/564776450.db2.gz PVRSHWQGUXFGPX-ZBEGNZNMSA-N 0 0 382.463 2.946 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000490580450 564777284 /nfs/dbraw/zinc/77/72/84/564777284.db2.gz PIPSKCZXMXARTE-BDJLRTHQSA-N 0 0 382.463 2.946 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCOc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000460843332 564782136 /nfs/dbraw/zinc/78/21/36/564782136.db2.gz UZMYUVCRWIEWAG-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN Cc1cc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000461630874 564801411 /nfs/dbraw/zinc/80/14/11/564801411.db2.gz MUEDKEWIRYFLJK-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](CO)CC1CCCC1 ZINC000461797985 564805776 /nfs/dbraw/zinc/80/57/76/564805776.db2.gz SSDNLEAUSBUUIY-GFCCVEGCSA-N 0 0 376.862 2.715 20 5 GFBDRN COCCN(Cc1ccc(Br)s1)c1c([N+](=O)[O-])ncn1C ZINC000493570932 564808918 /nfs/dbraw/zinc/80/89/18/564808918.db2.gz CZPXHZZGELFRSS-UHFFFAOYSA-N 0 0 375.248 2.805 20 5 GFBDRN Cc1cc(NC[C@H]2CCCN2S(C)(=O)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461945665 564809789 /nfs/dbraw/zinc/80/97/89/564809789.db2.gz LMCVBNLQKFTCSC-SNVBAGLBSA-N 0 0 381.376 2.758 20 5 GFBDRN CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000494322194 564824108 /nfs/dbraw/zinc/82/41/08/564824108.db2.gz FPRMMQBREPQBOA-ZYHUDNBSSA-N 0 0 383.253 2.826 20 5 GFBDRN NC(=O)c1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556467941 564827020 /nfs/dbraw/zinc/82/70/20/564827020.db2.gz OAUAPYPTBOGCFN-UHFFFAOYSA-N 0 0 378.182 2.637 20 5 GFBDRN CN(Cc1ccco1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556521344 564829144 /nfs/dbraw/zinc/82/91/44/564829144.db2.gz VRLXOBJQOIBCRC-UHFFFAOYSA-N 0 0 382.170 2.547 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2ccc(F)cc2Br)n1 ZINC000582088348 564830261 /nfs/dbraw/zinc/83/02/61/564830261.db2.gz CYENAKAPQFTDLI-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000462568331 564848061 /nfs/dbraw/zinc/84/80/61/564848061.db2.gz XXMBDGDEITWKML-TVQRCGJNSA-N 0 0 378.834 2.504 20 5 GFBDRN CCOC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CC ZINC000462574890 564849348 /nfs/dbraw/zinc/84/93/48/564849348.db2.gz QZRYRAVRHRCRIF-CABZTGNLSA-N 0 0 378.834 2.504 20 5 GFBDRN CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000462675655 564853446 /nfs/dbraw/zinc/85/34/46/564853446.db2.gz JGQGZPWCWYWEDN-LBPRGKRZSA-N 0 0 376.406 2.523 20 5 GFBDRN C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)n1nnnc1C(C)(C)C ZINC000557160584 564856937 /nfs/dbraw/zinc/85/69/37/564856937.db2.gz RNMUGVGWAZRCOR-QMMMGPOBSA-N 0 0 397.233 2.841 20 5 GFBDRN O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000557596186 564869907 /nfs/dbraw/zinc/86/99/07/564869907.db2.gz QEPXIZYMHFOIFR-GFCCVEGCSA-N 0 0 386.191 2.856 20 5 GFBDRN CS(=O)(=O)C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000557642653 564870367 /nfs/dbraw/zinc/87/03/67/564870367.db2.gz CMLMWLKHOSZVJP-LBPRGKRZSA-N 0 0 378.435 2.797 20 5 GFBDRN Cc1c(Br)c(N[C@@H](C(N)=O)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000463733503 564889077 /nfs/dbraw/zinc/88/90/77/564889077.db2.gz DAMVVPSEFRZZMO-GFCCVEGCSA-N 0 0 383.177 2.838 20 5 GFBDRN Cc1cc(N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])ccn1 ZINC000463847819 564891957 /nfs/dbraw/zinc/89/19/57/564891957.db2.gz GWAXSMYWKJRGRY-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN C[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593024 564898367 /nfs/dbraw/zinc/89/83/67/564898367.db2.gz IBZRQJZBWSKJME-YGRLFVJLSA-N 0 0 390.221 2.792 20 5 GFBDRN O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531188658 564903608 /nfs/dbraw/zinc/90/36/08/564903608.db2.gz OBHKDFNYBLCCTE-VIFPVBQESA-N 0 0 396.163 2.724 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCC2)c2ncccc12 ZINC000464416453 564906664 /nfs/dbraw/zinc/90/66/64/564906664.db2.gz CCBUIEIYHVUQPI-UHFFFAOYSA-N 0 0 375.328 2.906 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000558595347 564907777 /nfs/dbraw/zinc/90/77/77/564907777.db2.gz MATBLBHOCJXFFQ-UHFFFAOYSA-N 0 0 389.213 2.614 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000531482074 564911145 /nfs/dbraw/zinc/91/11/45/564911145.db2.gz YFVFLYCEZQJPEE-GHMZBOCLSA-N 0 0 387.230 2.680 20 5 GFBDRN NS(=O)(=O)c1cccc(Sc2nnc(-c3cccs3)o2)c1[N+](=O)[O-] ZINC000498873377 564911176 /nfs/dbraw/zinc/91/11/76/564911176.db2.gz FZRAFEQHEVOOLJ-UHFFFAOYSA-N 0 0 384.420 2.505 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000499057162 564916760 /nfs/dbraw/zinc/91/67/60/564916760.db2.gz SCWPSGQPGKDHLT-UHFFFAOYSA-N 0 0 397.204 2.884 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1Br ZINC000531873868 564922878 /nfs/dbraw/zinc/92/28/78/564922878.db2.gz DDPGYYGLZVJUQF-SNVBAGLBSA-N 0 0 383.198 2.531 20 5 GFBDRN Cc1sc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000559141453 564923993 /nfs/dbraw/zinc/92/39/93/564923993.db2.gz VHPOHOIGGSMUBK-UHFFFAOYSA-N 0 0 395.384 2.900 20 5 GFBDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000499390257 564925643 /nfs/dbraw/zinc/92/56/43/564925643.db2.gz JVVXLHIZUMJROY-UHFFFAOYSA-N 0 0 380.809 2.855 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000559156582 564925675 /nfs/dbraw/zinc/92/56/75/564925675.db2.gz QUAGFPGQSJQAQR-INIZCTEOSA-N 0 0 390.889 2.976 20 5 GFBDRN COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CC1 ZINC000559581680 564935952 /nfs/dbraw/zinc/93/59/52/564935952.db2.gz WJSRMBZUZPHWQB-OAHLLOKOSA-N 0 0 385.214 2.737 20 5 GFBDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466299761 564937567 /nfs/dbraw/zinc/93/75/67/564937567.db2.gz RRZZSRDCDPEJHS-HZMBPMFUSA-N 0 0 385.873 2.812 20 5 GFBDRN O=C(Nc1cc(Br)ccn1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000499920948 564940200 /nfs/dbraw/zinc/94/02/00/564940200.db2.gz MPZGMGIIBDUHPX-UHFFFAOYSA-N 0 0 395.217 2.818 20 5 GFBDRN CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466953511 564950900 /nfs/dbraw/zinc/95/09/00/564950900.db2.gz FYCOSSMXVUKZRU-UHFFFAOYSA-N 0 0 384.435 2.967 20 5 GFBDRN O=C(CN1CCC[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000560182072 564952387 /nfs/dbraw/zinc/95/23/87/564952387.db2.gz CFMPZKMXFGQDMO-GJZGRUSLSA-N 0 0 398.257 2.939 20 5 GFBDRN Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000467070786 564955499 /nfs/dbraw/zinc/95/54/99/564955499.db2.gz QDSPNKWABSVPCU-NSHDSACASA-N 0 0 386.455 2.962 20 5 GFBDRN O=C(NCc1nc2cc(Br)ccc2o1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000560567113 564968317 /nfs/dbraw/zinc/96/83/17/564968317.db2.gz QNCTVPYTLXLWCD-UHFFFAOYSA-N 0 0 393.153 2.529 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3ccc(Cl)c(C)c32)c([N+](=O)[O-])n1 ZINC000533632932 564968522 /nfs/dbraw/zinc/96/85/22/564968522.db2.gz NHFFYDDFXHNGTE-UHFFFAOYSA-N 0 0 384.845 2.915 20 5 GFBDRN NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501081928 564970098 /nfs/dbraw/zinc/97/00/98/564970098.db2.gz BMZLSLJOYYOJFR-PSASIEDQSA-N 0 0 385.218 2.523 20 5 GFBDRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501107777 564970765 /nfs/dbraw/zinc/97/07/65/564970765.db2.gz QVMILENGQXDMQM-TVQRCGJNSA-N 0 0 388.218 2.673 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)NCC2CCC(F)(F)CC2)cc([N+](=O)[O-])c1 ZINC000501200327 564973867 /nfs/dbraw/zinc/97/38/67/564973867.db2.gz YYKFNMLJOZQVLI-UHFFFAOYSA-N 0 0 376.381 2.554 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccnc(-n2cncn2)c1 ZINC000501269255 564975153 /nfs/dbraw/zinc/97/51/53/564975153.db2.gz AWHOHQOUZVZRBK-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN NC(=O)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000467973406 564975982 /nfs/dbraw/zinc/97/59/82/564975982.db2.gz CCGGLKNSVATNSR-OAHLLOKOSA-N 0 0 396.216 2.855 20 5 GFBDRN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCc1ccc(Cl)s1 ZINC000468406312 564983697 /nfs/dbraw/zinc/98/36/97/564983697.db2.gz APUYNFYEXPTDPK-LLVKDONJSA-N 0 0 385.877 2.901 20 5 GFBDRN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc(Br)c1OC ZINC000501753652 564985416 /nfs/dbraw/zinc/98/54/16/564985416.db2.gz QKFSBYYGNUGBLU-UHFFFAOYSA-N 0 0 398.213 2.643 20 5 GFBDRN CSc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000561167914 564986116 /nfs/dbraw/zinc/98/61/16/564986116.db2.gz MSSPFHWTXCZWQT-GXSJLCMTSA-N 0 0 378.372 2.950 20 5 GFBDRN CN(Cc1cc(Br)cn1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561259015 564989263 /nfs/dbraw/zinc/98/92/63/564989263.db2.gz HUTMNVMVONOYLG-UHFFFAOYSA-N 0 0 392.213 2.981 20 5 GFBDRN Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000468698977 564990660 /nfs/dbraw/zinc/99/06/60/564990660.db2.gz RBJQNWKTROBXHC-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN Cc1c(F)cccc1NC(=O)CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000502109586 564992593 /nfs/dbraw/zinc/99/25/93/564992593.db2.gz LGHYABMDAVHBJW-UHFFFAOYSA-N 0 0 398.188 2.995 20 5 GFBDRN C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(Br)c1 ZINC000502352337 564996317 /nfs/dbraw/zinc/99/63/17/564996317.db2.gz LWVMLTJCLDHIAG-JTQLQIEISA-N 0 0 392.213 2.701 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000468981480 565001598 /nfs/dbraw/zinc/00/15/98/565001598.db2.gz NGKUVKYMBMOYMQ-LBPRGKRZSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1c(CNC(=O)NCCCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000503085554 565011376 /nfs/dbraw/zinc/01/13/76/565011376.db2.gz GWGINUDJOOXKKG-UHFFFAOYSA-N 0 0 396.245 2.752 20 5 GFBDRN C[C@H](C(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccc([N+](=O)[O-])cc1F ZINC000469522484 565019567 /nfs/dbraw/zinc/01/95/67/565019567.db2.gz TUYFWZIXOWQVPL-VIFPVBQESA-N 0 0 386.426 2.619 20 5 GFBDRN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])Oc1ccccc1Br ZINC000562240213 565021264 /nfs/dbraw/zinc/02/12/64/565021264.db2.gz RLFADQGNZURZJW-SECBINFHSA-N 0 0 395.213 2.731 20 5 GFBDRN CC(C)(C)OC(=O)CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000503863497 565029785 /nfs/dbraw/zinc/02/97/85/565029785.db2.gz RYJKARAVADADCY-UHFFFAOYSA-N 0 0 378.472 2.837 20 5 GFBDRN NC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000536523001 565039079 /nfs/dbraw/zinc/03/90/79/565039079.db2.gz UHBFULZADXUMEP-HNNXBMFYSA-N 0 0 394.225 2.552 20 5 GFBDRN O=C(NCCNC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000504938406 565046428 /nfs/dbraw/zinc/04/64/28/565046428.db2.gz CZYNSSXJNLCRAE-UHFFFAOYSA-N 0 0 392.209 2.517 20 5 GFBDRN Cc1nnc(CS(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000536893185 565049092 /nfs/dbraw/zinc/04/90/92/565049092.db2.gz LVGOWKRAIRSSPY-UHFFFAOYSA-N 0 0 380.407 2.525 20 5 GFBDRN O=C(N[C@H](CO)c1cccc(F)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000537769913 565062582 /nfs/dbraw/zinc/06/25/82/565062582.db2.gz SAYZCSHHUJQWAD-CQSZACIVSA-N 0 0 383.173 2.960 20 5 GFBDRN CC(=O)Nc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000585750408 565108994 /nfs/dbraw/zinc/10/89/94/565108994.db2.gz FZMKWWYWYOUTFP-UHFFFAOYSA-N 0 0 379.170 2.963 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000586771904 565115691 /nfs/dbraw/zinc/11/56/91/565115691.db2.gz CFKDICZMFWUSFS-MFKMUULPSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000586772040 565116068 /nfs/dbraw/zinc/11/60/68/565116068.db2.gz IUKHEWUYVZAOJB-GMSGAONNSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@H](C(=O)NC1CC1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000587084267 565120930 /nfs/dbraw/zinc/12/09/30/565120930.db2.gz XOQSOQQXGDEMPS-SNVBAGLBSA-N 0 0 387.267 2.691 20 5 GFBDRN COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000588054226 565123783 /nfs/dbraw/zinc/12/37/83/565123783.db2.gz RFAHAZJWVFLYRW-CYBMUJFWSA-N 0 0 396.197 2.785 20 5 GFBDRN Nc1cc(N2CCOc3c(Br)cccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588037154 565123929 /nfs/dbraw/zinc/12/39/29/565123929.db2.gz HPXZRBFAQLQFAJ-UHFFFAOYSA-N 0 0 394.225 2.831 20 5 GFBDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000588783845 565139931 /nfs/dbraw/zinc/13/99/31/565139931.db2.gz XVBWEOZFQVEGHU-GFCCVEGCSA-N 0 0 398.257 2.736 20 5 GFBDRN Cc1ccnc(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1[N+](=O)[O-] ZINC000588844169 565141030 /nfs/dbraw/zinc/14/10/30/565141030.db2.gz WXBZWIHHVGVAJO-GFCCVEGCSA-N 0 0 382.467 2.625 20 5 GFBDRN COCC[C@@H](COC)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000589606540 565167984 /nfs/dbraw/zinc/16/79/84/565167984.db2.gz RMQPBBHYLBTNLE-NSHDSACASA-N 0 0 384.230 2.791 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000615889477 565179358 /nfs/dbraw/zinc/17/93/58/565179358.db2.gz FWIRIAWBFGBNBP-SECBINFHSA-N 0 0 379.157 2.508 20 5 GFBDRN CC1(C)CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000616393224 565199387 /nfs/dbraw/zinc/19/93/87/565199387.db2.gz CLSJPJQCWRSVTM-NSHDSACASA-N 0 0 381.376 2.657 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000591328908 565224856 /nfs/dbraw/zinc/22/48/56/565224856.db2.gz ZJHNXFXZUMDMLC-GXFFZTMASA-N 0 0 382.360 2.552 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000617409680 565236816 /nfs/dbraw/zinc/23/68/16/565236816.db2.gz PJMKQNDFXWMGRP-AWEZNQCLSA-N 0 0 395.209 2.829 20 5 GFBDRN CNC(=O)Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000618346581 565292225 /nfs/dbraw/zinc/29/22/25/565292225.db2.gz UMWGJLGZSRZESI-UHFFFAOYSA-N 0 0 398.238 2.960 20 5 GFBDRN COc1c(S(=O)(=O)N2CC(C)(C)C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000619011875 565325806 /nfs/dbraw/zinc/32/58/06/565325806.db2.gz FRTABDHYIPKZIY-UHFFFAOYSA-N 0 0 393.259 2.705 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOc2ccc(Cl)cc21 ZINC000619467351 565342601 /nfs/dbraw/zinc/34/26/01/565342601.db2.gz BSQAHBRLYYULNQ-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572866 565343803 /nfs/dbraw/zinc/34/38/03/565343803.db2.gz MTMDHDZRLYBISV-BONVTDFDSA-N 0 0 385.829 2.698 20 5 GFBDRN Cc1c(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000619540805 565348009 /nfs/dbraw/zinc/34/80/09/565348009.db2.gz VTPYXPBMDWMFCY-PXWWUCIGSA-N 0 0 384.230 2.900 20 5 GFBDRN Cc1c(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000619540803 565348741 /nfs/dbraw/zinc/34/87/41/565348741.db2.gz VTPYXPBMDWMFCY-DRCTWCGVSA-N 0 0 384.230 2.900 20 5 GFBDRN Cc1sc(S(=O)(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC000593639097 565350434 /nfs/dbraw/zinc/35/04/34/565350434.db2.gz OLYGTXJJTUWFGP-UHFFFAOYSA-N 0 0 390.483 2.707 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC12CCCC2 ZINC000593660513 565354250 /nfs/dbraw/zinc/35/42/50/565354250.db2.gz IDBZSTPAMYGKHP-UHFFFAOYSA-N 0 0 382.214 2.841 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000593731793 565358149 /nfs/dbraw/zinc/35/81/49/565358149.db2.gz FGHLXCCRWHQQPV-UHFFFAOYSA-N 0 0 382.269 2.570 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000619856777 565361245 /nfs/dbraw/zinc/36/12/45/565361245.db2.gz ABJWVIMDNPIGNT-UHFFFAOYSA-N 0 0 377.300 2.714 20 5 GFBDRN CCOC(=O)CCN(C(C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000594482805 565394928 /nfs/dbraw/zinc/39/49/28/565394928.db2.gz ZDIGXTIDFUOIRL-UHFFFAOYSA-N 0 0 392.861 2.909 20 5 GFBDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])CCC2 ZINC000594764289 565417106 /nfs/dbraw/zinc/41/71/06/565417106.db2.gz JKXXOPGQAMDOHN-LLVKDONJSA-N 0 0 382.467 2.707 20 5 GFBDRN Cn1ncc(C2CCC2)c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594871020 565433780 /nfs/dbraw/zinc/43/37/80/565433780.db2.gz UNETVRIYRWLHTK-UHFFFAOYSA-N 0 0 384.845 2.728 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@]23C[C@H]2CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000595079821 565446677 /nfs/dbraw/zinc/44/66/77/565446677.db2.gz ZBLUCFCUADIMBI-RFAUZJTJSA-N 0 0 382.214 2.663 20 5 GFBDRN C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595381391 565471840 /nfs/dbraw/zinc/47/18/40/565471840.db2.gz JNYFQNUYMUZZIP-ABAIWWIYSA-N 0 0 384.841 2.691 20 5 GFBDRN O=[N+]([O-])c1ccn(CCN2CCOC[C@@H]2c2cccc(Br)c2)n1 ZINC000595758626 565491299 /nfs/dbraw/zinc/49/12/99/565491299.db2.gz BPVMRONVQHPKAI-CQSZACIVSA-N 0 0 381.230 2.627 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCc2n[nH]cc2C1 ZINC000596007220 565505777 /nfs/dbraw/zinc/50/57/77/565505777.db2.gz VKUDSDOXOJYREA-UHFFFAOYSA-N 0 0 379.214 2.977 20 5 GFBDRN Nc1ccc(N2CCO[C@H](c3cccc(Br)c3)C2)nc1[N+](=O)[O-] ZINC000596097037 565512742 /nfs/dbraw/zinc/51/27/42/565512742.db2.gz DANFBUIZIXJKNK-ZDUSSCGKSA-N 0 0 379.214 2.912 20 5 GFBDRN O=C(NCCO[C@H]1CC1(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900202 565540900 /nfs/dbraw/zinc/54/09/00/565540900.db2.gz JMRUDTYUIBIWCX-JTQLQIEISA-N 0 0 380.145 2.903 20 5 GFBDRN CCC1(CC)CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[S@]1=O ZINC000597099408 565551723 /nfs/dbraw/zinc/55/17/23/565551723.db2.gz ZRRLUTDWPXTBSP-RUZDIDTESA-N 0 0 388.877 2.985 20 5 GFBDRN COCCC1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597182949 565554095 /nfs/dbraw/zinc/55/40/95/565554095.db2.gz FXOQBGZZGPZABO-UHFFFAOYSA-N 0 0 376.194 2.668 20 5 GFBDRN O=C(NCCC1CSC1)c1ccc([N+](=O)[O-])cc1I ZINC000597788707 565575267 /nfs/dbraw/zinc/57/52/67/565575267.db2.gz DGUQIBZMNDHZSX-UHFFFAOYSA-N 0 0 392.218 2.682 20 5 GFBDRN CCOC(=O)C[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000598043755 565591089 /nfs/dbraw/zinc/59/10/89/565591089.db2.gz UODDTNBSEPTFIS-LLVKDONJSA-N 0 0 380.344 2.931 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000598194745 565601366 /nfs/dbraw/zinc/60/13/66/565601366.db2.gz HMGQBNYAQYCABW-GFCCVEGCSA-N 0 0 397.254 2.658 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598211039 565602833 /nfs/dbraw/zinc/60/28/33/565602833.db2.gz ZBLUDMXPKLRBPF-UHFFFAOYSA-N 0 0 393.241 2.844 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000598279671 565606399 /nfs/dbraw/zinc/60/63/99/565606399.db2.gz VYYMIBSKYDHGSW-JTQLQIEISA-N 0 0 385.214 2.676 20 5 GFBDRN COC(=O)[C@@](C)(CCF)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598287018 565606582 /nfs/dbraw/zinc/60/65/82/565606582.db2.gz SZKGOKDIISKXEI-CQSZACIVSA-N 0 0 378.809 2.748 20 5 GFBDRN CCSC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000598333089 565609795 /nfs/dbraw/zinc/60/97/95/565609795.db2.gz XZROLMQEAQHMRJ-NSHDSACASA-N 0 0 383.495 2.663 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598619653 565629984 /nfs/dbraw/zinc/62/99/84/565629984.db2.gz SVUIJMAAPQEVQB-BMIGLBTASA-N 0 0 378.397 2.645 20 5 GFBDRN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)c2ccc(Br)cc2O1 ZINC000598891409 565648382 /nfs/dbraw/zinc/64/83/82/565648382.db2.gz RIZPPIMEYYLENF-JTQLQIEISA-N 0 0 395.213 2.758 20 5 GFBDRN C[C@H](CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(F)(F)F ZINC000599066589 565654911 /nfs/dbraw/zinc/65/49/11/565654911.db2.gz STLBAOTWSLZLLE-SECBINFHSA-N 0 0 379.360 2.529 20 5 GFBDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599249176 565665169 /nfs/dbraw/zinc/66/51/69/565665169.db2.gz SXHMWYQTFDEUFF-MNOVXSKESA-N 0 0 386.861 2.794 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000599363828 565672993 /nfs/dbraw/zinc/67/29/93/565672993.db2.gz FUFZCNJPFOBVOX-JTQLQIEISA-N 0 0 382.360 2.709 20 5 GFBDRN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000599480525 565683490 /nfs/dbraw/zinc/68/34/90/565683490.db2.gz AIGAQPHHNJDFOI-WDEREUQCSA-N 0 0 398.257 2.877 20 5 GFBDRN COC(=O)[C@](C)(NCc1ccncc1Br)c1cccc([N+](=O)[O-])c1 ZINC000599646475 565694511 /nfs/dbraw/zinc/69/45/11/565694511.db2.gz KXQKVSLEPHZJRR-MRXNPFEDSA-N 0 0 394.225 2.930 20 5 GFBDRN Nc1nc2c(s1)C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000599922349 565705802 /nfs/dbraw/zinc/70/58/02/565705802.db2.gz KWCQNCFNFHZOOR-ZETCQYMHSA-N 0 0 397.254 2.514 20 5 GFBDRN O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599962160 565708175 /nfs/dbraw/zinc/70/81/75/565708175.db2.gz LDWSFVZOBJBBFS-JVXZTZIISA-N 0 0 397.147 2.933 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(CCCF)CC1 ZINC000600075191 565713191 /nfs/dbraw/zinc/71/31/91/565713191.db2.gz AHAREEXQBKPNJS-UHFFFAOYSA-N 0 0 388.237 2.783 20 5 GFBDRN COc1ncc(Br)cc1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000600341245 565723533 /nfs/dbraw/zinc/72/35/33/565723533.db2.gz JXTGAUPYVIBFJA-UHFFFAOYSA-N 0 0 398.217 2.537 20 5 GFBDRN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000600313770 565723919 /nfs/dbraw/zinc/72/39/19/565723919.db2.gz ZTYSTUCDFCSSCK-CYBMUJFWSA-N 0 0 381.841 2.945 20 5 GFBDRN C[C@H]1CC(F)(F)CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600447524 565730483 /nfs/dbraw/zinc/73/04/83/565730483.db2.gz JXSLCKUEHROSFV-VIFPVBQESA-N 0 0 375.759 2.624 20 5 GFBDRN CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600668660 565744224 /nfs/dbraw/zinc/74/42/24/565744224.db2.gz OIKIAXZLMQHXRY-UHFFFAOYSA-N 0 0 378.332 2.562 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000601105852 565767260 /nfs/dbraw/zinc/76/72/60/565767260.db2.gz OTRXKUNVZPIIRL-SSDOTTSWSA-N 0 0 375.273 2.643 20 5 GFBDRN COCc1ncc2c(n1)CCN(c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000601207467 565770889 /nfs/dbraw/zinc/77/08/89/565770889.db2.gz MTZNXFRMTVNBFG-UHFFFAOYSA-N 0 0 379.214 2.856 20 5 GFBDRN O=C(c1cscc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601216179 565772114 /nfs/dbraw/zinc/77/21/14/565772114.db2.gz IVXTZBSRSIVWGN-UHFFFAOYSA-N 0 0 379.825 2.908 20 5 GFBDRN COc1ccc(CNS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000601311918 565776300 /nfs/dbraw/zinc/77/63/00/565776300.db2.gz AAHDOSVLUGBMBG-GFCCVEGCSA-N 0 0 378.397 2.848 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)NCc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC000601342207 565777364 /nfs/dbraw/zinc/77/73/64/565777364.db2.gz TYVZVANOQQUURT-VIFPVBQESA-N 0 0 385.442 2.791 20 5 GFBDRN CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601400498 565781029 /nfs/dbraw/zinc/78/10/29/565781029.db2.gz VHPYSRKFXFLNHW-LLVKDONJSA-N 0 0 388.389 2.697 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC000601463439 565786376 /nfs/dbraw/zinc/78/63/76/565786376.db2.gz CLXAKHVYRKGJOP-ZDUSSCGKSA-N 0 0 386.426 2.866 20 5 GFBDRN C[C@@](CO)(NC(=O)Cc1cscc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601779359 565804101 /nfs/dbraw/zinc/80/41/01/565804101.db2.gz QIXKHIIJFPDPMB-HNNXBMFYSA-N 0 0 399.266 2.985 20 5 GFBDRN O=C([O-])CCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000602064797 565819859 /nfs/dbraw/zinc/81/98/59/565819859.db2.gz IFZBPRXPXQMGKK-UHFFFAOYSA-N 0 0 378.166 2.544 20 5 GFBDRN Cc1nc([C@H]2COCCN2Cc2cc(Br)c([N+](=O)[O-])s2)no1 ZINC000602599437 565856728 /nfs/dbraw/zinc/85/67/28/565856728.db2.gz ONXMWPLRSHFMEB-SNVBAGLBSA-N 0 0 389.231 2.684 20 5 GFBDRN C[C@H]1CSCCN(c2ncnc(N3CCSC[C@H](C)C3)c2[N+](=O)[O-])C1 ZINC000603357530 565900319 /nfs/dbraw/zinc/90/03/19/565900319.db2.gz DJVVOEUUZVXVNY-CHWSQXEVSA-N 0 0 383.543 2.763 20 5 GFBDRN CSc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000603566955 565911965 /nfs/dbraw/zinc/91/19/65/565911965.db2.gz NRSJQPGPDNZZDR-UHFFFAOYSA-N 0 0 376.423 2.915 20 5 GFBDRN COC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000604024654 565921679 /nfs/dbraw/zinc/92/16/79/565921679.db2.gz DZLVIRIZXQNJIC-UHFFFAOYSA-N 0 0 390.845 2.793 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000604030360 565922362 /nfs/dbraw/zinc/92/23/62/565922362.db2.gz SNORVDSKQHDRBR-UONOGXRCSA-N 0 0 386.495 2.578 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCN1Cc2ccccc2C1 ZINC000604483461 565930453 /nfs/dbraw/zinc/93/04/53/565930453.db2.gz PEYBZHMWTCZPTC-UHFFFAOYSA-N 0 0 381.841 2.542 20 5 GFBDRN O=C(CC(F)(F)F)N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000608885775 566026407 /nfs/dbraw/zinc/02/64/07/566026407.db2.gz YUINNZDKYSODQA-UHFFFAOYSA-N 0 0 377.348 2.659 20 5 GFBDRN CO[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccc(Cl)c1 ZINC000610282266 566075019 /nfs/dbraw/zinc/07/50/19/566075019.db2.gz BWWTZMGIQVMRQF-AWEZNQCLSA-N 0 0 385.829 2.695 20 5 GFBDRN CN(c1nccs1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610316262 566076772 /nfs/dbraw/zinc/07/67/72/566076772.db2.gz QODUIJLMALRUSR-UHFFFAOYSA-N 0 0 378.229 2.639 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413545 566081119 /nfs/dbraw/zinc/08/11/19/566081119.db2.gz XHTSCHOUNSIYSG-PELKAZGASA-N 0 0 381.738 2.838 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COc2c1cccc2Cl ZINC000610711802 566093623 /nfs/dbraw/zinc/09/36/23/566093623.db2.gz KRDXFXRJHFXXEL-GFCCVEGCSA-N 0 0 384.797 2.669 20 5 GFBDRN O=C(NCc1ccc(O)c(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610891930 566104228 /nfs/dbraw/zinc/10/42/28/566104228.db2.gz DTUQSNYCPXGATA-UHFFFAOYSA-N 0 0 395.165 2.722 20 5 GFBDRN Cc1cc(=NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c[nH]1 ZINC000610955344 566107669 /nfs/dbraw/zinc/10/76/69/566107669.db2.gz WIWLGLGIJBHMOZ-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000611342940 566128041 /nfs/dbraw/zinc/12/80/41/566128041.db2.gz IGQATJLUUCNBJC-UHFFFAOYSA-N 0 0 376.406 2.524 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCO1 ZINC000611469376 566131183 /nfs/dbraw/zinc/13/11/83/566131183.db2.gz RAJPQQFVQBFCBT-JOYOIKCWSA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000611524250 566134681 /nfs/dbraw/zinc/13/46/81/566134681.db2.gz NIVKQUMAVLQURO-GFCCVEGCSA-N 0 0 381.738 2.763 20 5 GFBDRN Cc1c(Br)c(NCCN2Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000612442098 566162255 /nfs/dbraw/zinc/16/22/55/566162255.db2.gz AVYSSVBXRZIQQE-UHFFFAOYSA-N 0 0 377.242 2.910 20 5 GFBDRN COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613481828 566198584 /nfs/dbraw/zinc/19/85/84/566198584.db2.gz FOXNNUWIRROGFH-NSHDSACASA-N 0 0 390.483 2.565 20 5 GFBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778002 599039898 /nfs/dbraw/zinc/03/98/98/599039898.db2.gz UHXGHHHJKUEXIV-GTNSWQLSSA-N 0 0 384.371 2.880 20 5 GFBDRN CO[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000821678413 599046948 /nfs/dbraw/zinc/04/69/48/599046948.db2.gz NNEHORKLKMGDTK-ZDUSSCGKSA-N 0 0 375.776 2.623 20 5 GFBDRN Cc1ccnc(-c2cccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)c2)n1 ZINC000737435798 599061224 /nfs/dbraw/zinc/06/12/24/599061224.db2.gz CSZTXYKFUXXOCD-UHFFFAOYSA-N 0 0 375.352 2.679 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000823629620 599063068 /nfs/dbraw/zinc/06/30/68/599063068.db2.gz CAQXDNHGCHANAS-OAHLLOKOSA-N 0 0 380.408 2.818 20 5 GFBDRN CN(C(=O)CSc1ccc(-c2nn[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000736739583 599172760 /nfs/dbraw/zinc/17/27/60/599172760.db2.gz ROMJFFVRONECMW-UHFFFAOYSA-N 0 0 388.384 2.669 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000823629989 607331278 /nfs/dbraw/zinc/33/12/78/607331278.db2.gz OWIWECLYHYRNHK-GFCCVEGCSA-N 0 0 376.442 2.632 20 5 GFBDRN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000736635783 598366585 /nfs/dbraw/zinc/36/65/85/598366585.db2.gz ZCLLUGPNYOSVCD-UHFFFAOYSA-N 0 0 393.363 2.907 20 5 GFBDRN COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1cccc(C)c1 ZINC000736894322 598387684 /nfs/dbraw/zinc/38/76/84/598387684.db2.gz URZITYHZQIPSRQ-CQSZACIVSA-N 0 0 396.407 2.527 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738145516 598576707 /nfs/dbraw/zinc/57/67/07/598576707.db2.gz SHEBRQSMYYVDOI-INIZCTEOSA-N 0 0 397.370 2.522 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1OC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737023435 598617372 /nfs/dbraw/zinc/61/73/72/598617372.db2.gz FSXDHWROGBGOCX-UHFFFAOYSA-N 0 0 375.728 2.656 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736300200 598735632 /nfs/dbraw/zinc/73/56/32/598735632.db2.gz VQNVCRZGMKIRKP-OJIASSBASA-N 0 0 376.376 2.766 20 5 GFBDRN C[C@H](c1cccc(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000736200085 598796657 /nfs/dbraw/zinc/79/66/57/598796657.db2.gz RMDRJRBBMHBFNZ-CYBMUJFWSA-N 0 0 395.423 2.912 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCSCc2ccccc2F)c(-c2nn[nH]n2)c1 ZINC000823651754 599303141 /nfs/dbraw/zinc/30/31/41/599303141.db2.gz OWALIKCXIDXIDO-UHFFFAOYSA-N 0 0 375.389 2.654 20 5 GFBDRN C[C@@H](SCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736187796 599329850 /nfs/dbraw/zinc/32/98/50/599329850.db2.gz BYXUZBYWYWASQL-SNVBAGLBSA-N 0 0 384.421 2.868 20 5 GFBDRN O=C(c1ccc(-c2nn[nH]n2)nc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738258632 599375424 /nfs/dbraw/zinc/37/54/24/599375424.db2.gz JHEBOWMSZFLNSF-UHFFFAOYSA-N 0 0 379.380 2.759 20 5 GFBDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820351608 599422178 /nfs/dbraw/zinc/42/21/78/599422178.db2.gz QAEZLMRIKGUMCW-NWDGAFQWSA-N 0 0 381.396 2.896 20 5 GFBDRN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000820385148 599499374 /nfs/dbraw/zinc/49/93/74/599499374.db2.gz PSNOKCRLKQCFMC-JTQLQIEISA-N 0 0 377.364 2.747 20 5 GFBDRN O=[N+]([O-])c1cccc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000823647138 599501973 /nfs/dbraw/zinc/50/19/73/599501973.db2.gz GVWQLJBYRVHGMB-UHFFFAOYSA-N 0 0 392.335 2.843 20 5 GFBDRN C[C@H]1COCCN1c1ccc(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000736294524 599535380 /nfs/dbraw/zinc/53/53/80/599535380.db2.gz VGDHSDKNABHAHS-LBPRGKRZSA-N 0 0 381.396 2.744 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CCc4ccccc4CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643836 599560654 /nfs/dbraw/zinc/56/06/54/599560654.db2.gz CMOGLAAUWQULJL-UHFFFAOYSA-N 0 0 387.403 2.928 20 5 GFBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820571449 599561413 /nfs/dbraw/zinc/56/14/13/599561413.db2.gz YREFBDMKHWELNP-OAHLLOKOSA-N 0 0 393.451 2.654 20 5 GFBDRN O=C1CCCN1C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530756 599578228 /nfs/dbraw/zinc/57/82/28/599578228.db2.gz QVHBWQLOFHQESP-MRXNPFEDSA-N 0 0 393.407 2.551 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822270994 599667320 /nfs/dbraw/zinc/66/73/20/599667320.db2.gz HHZLTFKXVOWRJL-UHFFFAOYSA-N 0 0 383.364 2.709 20 5 GFBDRN O=C([O-])/C=C/c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000739626441 599779218 /nfs/dbraw/zinc/77/92/18/599779218.db2.gz UBSSBRJVILHFCP-GQCTYLIASA-N 0 0 375.425 2.750 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000821745149 607411141 /nfs/dbraw/zinc/41/11/41/607411141.db2.gz HDRDFHBPGVVYIW-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826498328 607451214 /nfs/dbraw/zinc/45/12/14/607451214.db2.gz PVHHBAMUIYPISF-SFHVURJKSA-N 0 0 380.408 2.725 20 5 GFBDRN COc1ccc(-c2ccc(C[NH2+]C3(CC(=O)[O-])CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000832116382 601561160 /nfs/dbraw/zinc/56/11/60/601561160.db2.gz SJDVWTHFFKPSFX-UHFFFAOYSA-N 0 0 390.392 2.977 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740100838 601932149 /nfs/dbraw/zinc/93/21/49/601932149.db2.gz YQIDZJGFDFPEHA-UHFFFAOYSA-N 0 0 390.440 2.839 20 5 GFBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739062720 602537049 /nfs/dbraw/zinc/53/70/49/602537049.db2.gz GTOOZPXMUHRUFV-VXGBXAGGSA-N 0 0 375.385 2.638 20 5 GFBDRN Cc1c(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000826243147 607592234 /nfs/dbraw/zinc/59/22/34/607592234.db2.gz WPRRNEDBOJFSFN-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=C(NCc1ccc(-c2nn[nH]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826441273 607622739 /nfs/dbraw/zinc/62/27/39/607622739.db2.gz WWNOPDVURSVGQD-UHFFFAOYSA-N 0 0 393.407 2.649 20 5 GFBDRN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825479349 604938817 /nfs/dbraw/zinc/93/88/17/604938817.db2.gz MGRBGNHATCQOOR-CABCVRRESA-N 0 0 376.457 2.932 20 5 GFBDRN C[C@]1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1C(=O)[O-] ZINC000833571485 605072073 /nfs/dbraw/zinc/07/20/73/605072073.db2.gz QDWGPFSNKBMDLV-ACJLOTCBSA-N 0 0 377.397 2.516 20 5 GFBDRN CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C(=O)[O-])CC1 ZINC000826917196 605463177 /nfs/dbraw/zinc/46/31/77/605463177.db2.gz ZJGYXEZRDPJFIN-UHFFFAOYSA-N 0 0 389.412 2.999 20 5 GFBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820562982 606143545 /nfs/dbraw/zinc/14/35/45/606143545.db2.gz KVUWGIPMXYSZEW-RNUGCUGFSA-N 0 0 386.437 2.710 20 5 GFBDRN O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)s1 ZINC000823440349 606179647 /nfs/dbraw/zinc/17/96/47/606179647.db2.gz OYIGIUXZPHRVDI-UHFFFAOYSA-N 0 0 398.360 2.848 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000820556456 606195083 /nfs/dbraw/zinc/19/50/83/606195083.db2.gz TYNXVSNVRYFIAY-VIFPVBQESA-N 0 0 386.393 2.600 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nn[nH]n2)c1 ZINC000823651477 606201005 /nfs/dbraw/zinc/20/10/05/606201005.db2.gz LJFZEIPSQBUTCP-NSHDSACASA-N 0 0 386.803 2.514 20 5 GFBDRN C[C@]1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623061 606242667 /nfs/dbraw/zinc/24/26/67/606242667.db2.gz DGXGCEUIYNJSBT-MAUKXSAKSA-N 0 0 383.412 2.676 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822228599 606543208 /nfs/dbraw/zinc/54/32/08/606543208.db2.gz ACNWYTRRDQEJBW-QWHCGFSZSA-N 0 0 396.407 2.728 20 5 GFBDRN O=C1CCCN1Cc1ccc(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)cc1 ZINC000823531107 606646064 /nfs/dbraw/zinc/64/60/64/606646064.db2.gz YRZMVWWFFFQXLW-UHFFFAOYSA-N 0 0 393.407 2.509 20 5 GFBDRN CC(C)C[C@H](C)Oc1cc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccn1 ZINC000820057300 606709120 /nfs/dbraw/zinc/70/91/20/606709120.db2.gz XRZRIKSGBMCNKJ-LBPRGKRZSA-N 0 0 398.427 2.990 20 5 GFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cn(-c2ccccc2)nn1 ZINC000820462330 606728692 /nfs/dbraw/zinc/72/86/92/606728692.db2.gz XTBAYCRDYSQHNY-NSHDSACASA-N 0 0 377.368 2.529 20 5 GFBDRN Cc1ccc(C(=O)OCCCOc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822227431 606942497 /nfs/dbraw/zinc/94/24/97/606942497.db2.gz IKPWIMJEXNKKDC-UHFFFAOYSA-N 0 0 383.364 2.709 20 5 GFBDRN CN(Cc1cc(Br)cn1C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821607653 606950461 /nfs/dbraw/zinc/95/04/61/606950461.db2.gz YFALJBUJPRQKEL-UHFFFAOYSA-N 0 0 392.217 2.512 20 5 GFBDRN O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823421921 606990967 /nfs/dbraw/zinc/99/09/67/606990967.db2.gz KBSSURJFYNZPBA-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN CCS[C@@H](C)c1noc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC000821446673 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/nfs/dbraw/zinc/01/36/83/663013683.db2.gz SROGECGYVHHRLZ-CYBMUJFWSA-N 0 0 388.873 2.994 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)CC[C@H]1CC1(Cl)Cl)C2 ZINC000882019096 663013827 /nfs/dbraw/zinc/01/38/27/663013827.db2.gz JPTGGTZFHXOLLU-NSHDSACASA-N 0 0 379.265 2.867 20 5 GFBDRN O=C1[C@H](Oc2cccc(Br)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000882363165 663025520 /nfs/dbraw/zinc/02/55/20/663025520.db2.gz FYHLHUVMSXHNOP-SECBINFHSA-N 0 0 383.120 2.899 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CF)C1 ZINC000882604648 663033300 /nfs/dbraw/zinc/03/33/00/663033300.db2.gz YFDUBRMCXJOEIE-SECBINFHSA-N 0 0 381.223 2.728 20 5 GFBDRN O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000882661604 663035553 /nfs/dbraw/zinc/03/55/53/663035553.db2.gz NAVYYWDMTHGSIZ-ULQSSITMSA-N 0 0 377.235 2.986 20 5 GFBDRN O=[N+]([O-])c1c(Br)cccc1OS(=O)(=O)CCC[C@H]1CCOC1 ZINC000882837202 663043573 /nfs/dbraw/zinc/04/35/73/663043573.db2.gz BIKKRHHUJBIKIU-JTQLQIEISA-N 0 0 394.243 2.883 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CO[C@H](C2CC2)C1 ZINC000883796696 663060931 /nfs/dbraw/zinc/06/09/31/663060931.db2.gz KNCWJFLXZAKYON-OCCSQVGLSA-N 0 0 384.230 2.724 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCCn2nncc2C1 ZINC000884629620 663073120 /nfs/dbraw/zinc/07/31/20/663073120.db2.gz UJKYPLAJTSZJNS-UHFFFAOYSA-N 0 0 389.213 2.907 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884967412 663080301 /nfs/dbraw/zinc/08/03/01/663080301.db2.gz FFJYXJYXECSWOX-INIZCTEOSA-N 0 0 394.225 2.809 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000885710548 663095949 /nfs/dbraw/zinc/09/59/49/663095949.db2.gz BRJBFNDAYZCBHB-CABZTGNLSA-N 0 0 378.809 2.577 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1COC(=O)c1nn2c(c1Br)CCC2 ZINC000885915582 663101091 /nfs/dbraw/zinc/10/10/91/663101091.db2.gz AEEOAXBOIWINHM-UHFFFAOYSA-N 0 0 396.197 2.866 20 5 GFBDRN Cc1cc2c(cc1Br)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000886284824 663106841 /nfs/dbraw/zinc/10/68/41/663106841.db2.gz MROXUKRPSJIYIS-UHFFFAOYSA-N 0 0 379.214 2.598 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000886366872 663108935 /nfs/dbraw/zinc/10/89/35/663108935.db2.gz ZGJCUEUDOVBDIO-NXEZZACHSA-N 0 0 385.214 2.771 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1CCO ZINC000889721862 663260524 /nfs/dbraw/zinc/26/05/24/663260524.db2.gz KAGYYKWOANVGIC-ZDUSSCGKSA-N 0 0 386.246 2.804 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCOC23CCOCC3)cc1[N+](=O)[O-] ZINC000890439745 663300689 /nfs/dbraw/zinc/30/06/89/663300689.db2.gz IBAWNUUBPYRGCB-AWEZNQCLSA-N 0 0 399.241 2.734 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCn2cc(Br)cn2)c1C ZINC000890951390 663318430 /nfs/dbraw/zinc/31/84/30/663318430.db2.gz GGRPVTKYQBLPRC-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN CNC(=O)[C@@]1(C)CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC000893649933 663418965 /nfs/dbraw/zinc/41/89/65/663418965.db2.gz DTPNOEXTYGGHCP-INIZCTEOSA-N 0 0 393.241 2.868 20 5 GFBDRN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000895065119 663497490 /nfs/dbraw/zinc/49/74/90/663497490.db2.gz DASGOPQLLMSAJL-QWRGUYRKSA-N 0 0 381.841 2.667 20 5 GFBDRN CNC(=O)C1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895534119 663518144 /nfs/dbraw/zinc/51/81/44/663518144.db2.gz FJKNSJNFKQRNMV-UHFFFAOYSA-N 0 0 378.187 2.639 20 5 GFBDRN Cc1c(Br)c(N2CCOC[C@@H]2C[C@@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000896888860 663580630 /nfs/dbraw/zinc/58/06/30/663580630.db2.gz VFNQESGHVKJDKA-RYUDHWBXSA-N 0 0 386.246 2.693 20 5 GFBDRN CCOCCOC1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897321932 663600535 /nfs/dbraw/zinc/60/05/35/663600535.db2.gz XQOJXBYQLACAGK-UHFFFAOYSA-N 0 0 381.187 2.918 20 5 GFBDRN CC(C)OC[C@@H](CO)N(C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897571287 663612010 /nfs/dbraw/zinc/61/20/10/663612010.db2.gz MZCAHMVLGMLIKG-MRVPVSSYSA-N 0 0 383.203 2.899 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897828004 663621695 /nfs/dbraw/zinc/62/16/95/663621695.db2.gz OEKQJWGCNQQCCF-SSDOTTSWSA-N 0 0 399.227 2.547 20 5 GFBDRN C[C@@H]1CN=C(N2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC2)S1 ZINC000900844138 663722595 /nfs/dbraw/zinc/72/25/95/663722595.db2.gz RYMXZFSMEKPIPP-SECBINFHSA-N 0 0 386.836 2.636 20 5 GFBDRN O=C(N[C@@H]1CCc2ncc(Br)n2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000900923925 663725394 /nfs/dbraw/zinc/72/53/94/663725394.db2.gz QEIVJTSELVLZAB-SECBINFHSA-N 0 0 399.632 2.952 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC000900936221 663727275 /nfs/dbraw/zinc/72/72/75/663727275.db2.gz ZTPWJCZVYYDKTR-JTQLQIEISA-N 0 0 379.214 2.607 20 5 GFBDRN Cc1c(Br)ccc(OCc2cn(C[C@@H]3CCOC3)nn2)c1[N+](=O)[O-] ZINC000901666271 663741207 /nfs/dbraw/zinc/74/12/07/663741207.db2.gz GVSKAHMYBSHFFR-NSHDSACASA-N 0 0 397.229 2.873 20 5 GFBDRN COC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901867130 663748564 /nfs/dbraw/zinc/74/85/64/663748564.db2.gz ZZXDSLHRAISZFZ-OAHLLOKOSA-N 0 0 387.230 2.671 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000902967189 663769981 /nfs/dbraw/zinc/76/99/81/663769981.db2.gz QNZCQRRBQQQDKW-GFCCVEGCSA-N 0 0 394.229 2.853 20 5 GFBDRN O=C(N1CCc2c1cccc2[N+](=O)[O-])C1(n2cc(Br)cn2)CC1 ZINC000903477420 663785286 /nfs/dbraw/zinc/78/52/86/663785286.db2.gz BERYCNRUSZNDIW-UHFFFAOYSA-N 0 0 377.198 2.632 20 5 GFBDRN Cc1nn(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1Br ZINC000905838468 663895749 /nfs/dbraw/zinc/89/57/49/663895749.db2.gz QYXTYKGJBYCDFH-UHFFFAOYSA-N 0 0 383.202 2.725 20 5 GFBDRN O=C(NC[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000906373135 663942550 /nfs/dbraw/zinc/94/25/50/663942550.db2.gz RGXRMMKPYRGLMV-GFCCVEGCSA-N 0 0 399.241 2.815 20 5 GFBDRN Cn1cc(COC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(Br)n1 ZINC000910020243 664188978 /nfs/dbraw/zinc/18/89/78/664188978.db2.gz AHTHYVTUHMBQIP-OLZOCXBDSA-N 0 0 380.198 2.938 20 5 GFBDRN CC(=O)N[C@@](C)(C(=O)OCc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000910220560 664200623 /nfs/dbraw/zinc/20/06/23/664200623.db2.gz LWVPKSLDVFYTNC-OAHLLOKOSA-N 0 0 387.230 2.951 20 5 GFBDRN CC(=O)N[C@](C)(C(=O)OCc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000910220556 664200680 /nfs/dbraw/zinc/20/06/80/664200680.db2.gz LWVPKSLDVFYTNC-HNNXBMFYSA-N 0 0 387.230 2.951 20 5 GFBDRN O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911471132 664245894 /nfs/dbraw/zinc/24/58/94/664245894.db2.gz YCSOQOSSOABGJX-VIFPVBQESA-N 0 0 377.558 2.610 20 5 GFBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)NCC=C(Cl)Cl)cc1OC ZINC000911963378 664263916 /nfs/dbraw/zinc/26/39/16/664263916.db2.gz KHTVDEVRNUJQSH-UHFFFAOYSA-N 0 0 379.196 2.677 20 5 GFBDRN Cc1ccc(CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000917892691 664492098 /nfs/dbraw/zinc/49/20/98/664492098.db2.gz GHLMTDWXIJOBQI-UHFFFAOYSA-N 0 0 389.227 2.780 20 5 GFBDRN O=[N+]([O-])c1ccc(NC(=S)NCCCS(=O)(=O)c2ccccc2)cc1 ZINC000921143783 664538047 /nfs/dbraw/zinc/53/80/47/664538047.db2.gz PBSJUYDTZMTANC-UHFFFAOYSA-N 0 0 379.463 2.745 20 5 GFBDRN CC(=O)NCCCCCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000922657517 664609884 /nfs/dbraw/zinc/60/98/84/664609884.db2.gz SAKOYVYPNDQXEB-UHFFFAOYSA-N 0 0 379.232 2.882 20 5 GFBDRN COCc1nn(C)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1Br ZINC000922780510 664614355 /nfs/dbraw/zinc/61/43/55/664614355.db2.gz IODTZJRIQKFRSP-UHFFFAOYSA-N 0 0 384.186 2.594 20 5 GFBDRN O=C(NCc1cnc(Cl)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000923694579 664636105 /nfs/dbraw/zinc/63/61/05/664636105.db2.gz GHXKWYNSYWCAEW-UHFFFAOYSA-N 0 0 381.845 2.737 20 5 GFBDRN CCS(=O)(CC)=NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000925888801 664676851 /nfs/dbraw/zinc/67/68/51/664676851.db2.gz NUHUZZXOTVZKAD-UHFFFAOYSA-N 0 0 396.206 2.847 20 5 GFBDRN CC(C)[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000926065871 664680592 /nfs/dbraw/zinc/68/05/92/664680592.db2.gz CRNBTAQEOLDWAH-IBGZPJMESA-N 0 0 396.206 2.846 20 5 GFBDRN COC(=O)C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000928175166 664725203 /nfs/dbraw/zinc/72/52/03/664725203.db2.gz NAZSOZQYCNZJCM-GHMZBOCLSA-N 0 0 386.857 2.998 20 5 GFBDRN CCN1CCC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1=O ZINC000928869858 664741176 /nfs/dbraw/zinc/74/11/76/664741176.db2.gz ZKLPEWHSVKUNNA-SECBINFHSA-N 0 0 378.187 2.781 20 5 GFBDRN CCCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000929272129 664749205 /nfs/dbraw/zinc/74/92/05/664749205.db2.gz WYOJTKBSJCEASZ-ZDUSSCGKSA-N 0 0 391.287 2.756 20 5 GFBDRN CN(C)C(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930668245 664775573 /nfs/dbraw/zinc/77/55/73/664775573.db2.gz XBXLVYFPKARVEY-LBPRGKRZSA-N 0 0 385.262 2.593 20 5 GFBDRN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC000931755862 664804332 /nfs/dbraw/zinc/80/43/32/664804332.db2.gz GUBVOBQXKNNKTD-GXFFZTMASA-N 0 0 387.230 2.558 20 5 GFBDRN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2c2ncc(Br)cn2)n1 ZINC000932521511 664824398 /nfs/dbraw/zinc/82/43/98/664824398.db2.gz DRXBTSPCXKWNLT-LBPRGKRZSA-N 0 0 381.234 2.571 20 5 GFBDRN Cc1ccc(Br)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000935689431 664981834 /nfs/dbraw/zinc/98/18/34/664981834.db2.gz LBIWMNXTAVVCRP-UHFFFAOYSA-N 0 0 394.229 2.735 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935926529 664998503 /nfs/dbraw/zinc/99/85/03/664998503.db2.gz BUYWXXRFEHEXBZ-XNCJUZBTSA-N 0 0 385.701 2.761 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000935964821 665001682 /nfs/dbraw/zinc/00/16/82/665001682.db2.gz IQZPOPMCGPMWGN-QMMMGPOBSA-N 0 0 385.193 2.879 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)cnc1Cl ZINC001165014966 721759939 /nfs/dbraw/zinc/75/99/39/721759939.db2.gz KUPMPOCWPCINEV-BNOWGMLFSA-N 0 0 389.786 2.818 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000007701266 209129629 /nfs/dbraw/zinc/12/96/29/209129629.db2.gz NRXOGJFWPPBSAN-ZDUSSCGKSA-N 0 0 387.421 2.523 20 5 GFBDRN COC(=O)/C=C/c1ccc(N[C@H]2CS(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000359870164 206266057 /nfs/dbraw/zinc/26/60/57/206266057.db2.gz LPDDKMJGAFCQMB-HEWZJLJBSA-N 0 0 388.401 2.722 20 5 GFBDRN C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000359980376 206274695 /nfs/dbraw/zinc/27/46/95/206274695.db2.gz YUJPANJWYGBPIH-AWEZNQCLSA-N 0 0 378.388 2.696 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000014326773 207019800 /nfs/dbraw/zinc/01/98/00/207019800.db2.gz RBYVMGOPXRBPBO-UHFFFAOYSA-N 0 0 376.438 2.563 20 5 GFBDRN O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000019994407 551115127 /nfs/dbraw/zinc/11/51/27/551115127.db2.gz NHHOZZPMTIDQHF-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN CS(=O)(=O)Nc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000029161026 551126139 /nfs/dbraw/zinc/12/61/39/551126139.db2.gz CPPJKQFUZJSPII-UHFFFAOYSA-N 0 0 381.435 2.697 20 5 GFBDRN NC(=O)c1ccc(CNc2ccc(I)cc2[N+](=O)[O-])cc1 ZINC000051282006 551162858 /nfs/dbraw/zinc/16/28/58/551162858.db2.gz CTKJPWRNISZWPL-UHFFFAOYSA-N 0 0 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GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000298691199 563364122 /nfs/dbraw/zinc/36/41/22/563364122.db2.gz SLYSWNXMZFKMCD-UHFFFAOYSA-N 0 0 377.706 2.908 20 5 GFBDRN CSCC[C@H]1NC(=O)N(Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000424089835 563370064 /nfs/dbraw/zinc/37/00/64/563370064.db2.gz BBFQHXWLFAYBJM-SNVBAGLBSA-N 0 0 388.243 2.531 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCC(F)(F)C1 ZINC000281299697 563372665 /nfs/dbraw/zinc/37/26/65/563372665.db2.gz AOXMSALBFZHBJN-VIFPVBQESA-N 0 0 375.759 2.530 20 5 GFBDRN CC(C)(O)CONC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000299072997 563374326 /nfs/dbraw/zinc/37/43/26/563374326.db2.gz UMVGATYMFNPPJX-UHFFFAOYSA-N 0 0 389.195 2.520 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000299124605 563375006 /nfs/dbraw/zinc/37/50/06/563375006.db2.gz AQQBWUKUHSFHDQ-GFCCVEGCSA-N 0 0 379.214 2.817 20 5 GFBDRN Cc1nc(CN(C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)no1 ZINC000374549742 563376062 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GFBDRN NS(=O)(=O)c1cc(NCc2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000301213016 563396514 /nfs/dbraw/zinc/39/65/14/563396514.db2.gz YBLZKBMCGIJHAW-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN C[C@@H]1CN=C(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)S1 ZINC000301370652 563401659 /nfs/dbraw/zinc/40/16/59/563401659.db2.gz VCJLUBBOVUADKL-SNVBAGLBSA-N 0 0 385.287 2.971 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H]1CCC[C@@H](O)C1 ZINC000301388114 563402088 /nfs/dbraw/zinc/40/20/88/563402088.db2.gz DSDZROSOGBBAHQ-NXEZZACHSA-N 0 0 382.360 2.851 20 5 GFBDRN O=C(C1CCCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301576466 563407657 /nfs/dbraw/zinc/40/76/57/563407657.db2.gz YUFUHZZZLAETFK-UHFFFAOYSA-N 0 0 397.273 2.981 20 5 GFBDRN Cc1nc(NCCNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000301668084 563409800 /nfs/dbraw/zinc/40/98/00/563409800.db2.gz XQRDAUGGQASAJS-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN CC(C)(C)C(=O)N1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301713764 563411019 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C[C@@]1(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1F ZINC000425384522 563419837 /nfs/dbraw/zinc/41/98/37/563419837.db2.gz NQQUYTDSIWAOMD-QMTHXVAHSA-N 0 0 385.398 2.571 20 5 GFBDRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000375905438 563422768 /nfs/dbraw/zinc/42/27/68/563422768.db2.gz XRMBRFQVXCNZBA-UHFFFAOYSA-N 0 0 382.829 2.672 20 5 GFBDRN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425495572 563425812 /nfs/dbraw/zinc/42/58/12/563425812.db2.gz SUFGKGVGNFLYHA-CYBMUJFWSA-N 0 0 385.262 2.593 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000375990857 563426513 /nfs/dbraw/zinc/42/65/13/563426513.db2.gz ZBDBXMGHKCPEPK-NFAWXSAZSA-N 0 0 388.873 2.952 20 5 GFBDRN CS(=O)(=O)CCCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000425656681 563429929 /nfs/dbraw/zinc/42/99/29/563429929.db2.gz FEJPEPZDLDOQNS-UHFFFAOYSA-N 0 0 383.348 2.560 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000376236722 563434164 /nfs/dbraw/zinc/43/41/64/563434164.db2.gz JQLOUOJXMADOBE-JVXZTZIISA-N 0 0 384.763 2.890 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000325338302 563453946 /nfs/dbraw/zinc/45/39/46/563453946.db2.gz HYXYVNYAAVTXCI-VIFPVBQESA-N 0 0 378.834 2.565 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2cccc(Br)c2)n1 ZINC000427397415 563466847 /nfs/dbraw/zinc/46/68/47/563466847.db2.gz VWNPUEGQSSHBKY-JTQLQIEISA-N 0 0 397.229 2.771 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(CCO)Cc1cc(Br)cs1 ZINC000427588561 563469848 /nfs/dbraw/zinc/46/98/48/563469848.db2.gz UBLUZGLNGOEUPM-UHFFFAOYSA-N 0 0 399.266 2.982 20 5 GFBDRN CC[C@@H]1CN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000427738867 563472996 /nfs/dbraw/zinc/47/29/96/563472996.db2.gz BFSLSUXWYCVBLR-CYBMUJFWSA-N 0 0 387.889 2.567 20 5 GFBDRN CCCn1nc2c(cc1=O)CN(c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000377837372 563488030 /nfs/dbraw/zinc/48/80/30/563488030.db2.gz LZNPOTXDMXGYID-UHFFFAOYSA-N 0 0 393.241 2.887 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCSCCCO ZINC000284739982 563489122 /nfs/dbraw/zinc/48/91/22/563489122.db2.gz HIWGGBAIWODMKB-UHFFFAOYSA-N 0 0 377.260 2.511 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000378403165 563505240 /nfs/dbraw/zinc/50/52/40/563505240.db2.gz NLUDCUYBYLEPKJ-SNVBAGLBSA-N 0 0 385.207 2.929 20 5 GFBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395267 563518654 /nfs/dbraw/zinc/51/86/54/563518654.db2.gz ARQMGEUBHUDAHQ-GXTWGEPZSA-N 0 0 384.274 2.652 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000386069679 563518691 /nfs/dbraw/zinc/51/86/91/563518691.db2.gz CNDUQYWGQZLKOL-AWEZNQCLSA-N 0 0 376.862 2.776 20 5 GFBDRN CO[C@H](C)CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285456291 563521602 /nfs/dbraw/zinc/52/16/02/563521602.db2.gz PJCALLXULXNGBM-SNVBAGLBSA-N 0 0 386.246 2.850 20 5 GFBDRN Cc1c(N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000429795895 563522923 /nfs/dbraw/zinc/52/29/23/563522923.db2.gz MEKYSTHFVQJRHD-GFCCVEGCSA-N 0 0 394.229 2.617 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000285501879 563524435 /nfs/dbraw/zinc/52/44/35/563524435.db2.gz FCQQOPMEFNZTPJ-VXGBXAGGSA-N 0 0 378.809 2.719 20 5 GFBDRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000392375651 563527032 /nfs/dbraw/zinc/52/70/32/563527032.db2.gz ILZPTVHZPBMSCJ-UHFFFAOYSA-N 0 0 389.161 2.836 20 5 GFBDRN O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000430151400 563536818 /nfs/dbraw/zinc/53/68/18/563536818.db2.gz BWMLBEYUOFVAQC-CYBMUJFWSA-N 0 0 393.237 2.938 20 5 GFBDRN CO[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000286240478 563552782 /nfs/dbraw/zinc/55/27/82/563552782.db2.gz CXXOXCHVVPNXCU-QMMMGPOBSA-N 0 0 392.193 2.615 20 5 GFBDRN C[C@H](N[C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000431077112 563553086 /nfs/dbraw/zinc/55/30/86/563553086.db2.gz NDMMUPQOSJGBSV-UWVGGRQHSA-N 0 0 394.229 2.825 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCc3c(Br)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000332037373 563572699 /nfs/dbraw/zinc/57/26/99/563572699.db2.gz WFYYMJDUFSXKMT-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN O=C(NCC[C@@H](O)C(F)(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000410054088 563579577 /nfs/dbraw/zinc/57/95/77/563579577.db2.gz XROWNIKRPQGLIO-LLVKDONJSA-N 0 0 375.328 2.761 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2COCC[C@@H]21 ZINC000332316508 563592830 /nfs/dbraw/zinc/59/28/30/563592830.db2.gz HMPUGDFZYVQMTC-WFASDCNBSA-N 0 0 383.242 2.927 20 5 GFBDRN CC[C@@H](CSC)N(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000288535413 563646587 /nfs/dbraw/zinc/64/65/87/563646587.db2.gz HCNKYCWRLPPHQV-ZDUSSCGKSA-N 0 0 387.889 2.507 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000435968055 563661551 /nfs/dbraw/zinc/66/15/51/563661551.db2.gz VRKPIJOKQGKRAP-CMPLNLGQSA-N 0 0 378.182 2.744 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC000436451876 563670624 /nfs/dbraw/zinc/67/06/24/563670624.db2.gz JSLBYTZRSAJLKY-UHFFFAOYSA-N 0 0 386.495 2.746 20 5 GFBDRN O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000412823249 563670640 /nfs/dbraw/zinc/67/06/40/563670640.db2.gz GUJLSKNLIGTRFW-GXSJLCMTSA-N 0 0 379.157 2.636 20 5 GFBDRN O=C(NCc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1)c1ccc(Br)cc1 ZINC000350349879 563670825 /nfs/dbraw/zinc/67/08/25/563670825.db2.gz YYGVKGKLWWNKTH-UHFFFAOYSA-N 0 0 392.169 2.665 20 5 GFBDRN CN(Cc1cnn(C)c1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289553037 563678929 /nfs/dbraw/zinc/67/89/29/563678929.db2.gz DLIWGOYHYKERIL-UHFFFAOYSA-N 0 0 386.193 2.565 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437131056 563689801 /nfs/dbraw/zinc/68/98/01/563689801.db2.gz YWDAHVZCUVVPJO-UHFFFAOYSA-N 0 0 383.735 2.974 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2csnn2)c([N+](=O)[O-])c1 ZINC000413546861 563696825 /nfs/dbraw/zinc/69/68/25/563696825.db2.gz CPXPTKBYMLGJGB-SNVBAGLBSA-N 0 0 385.471 2.650 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2noc(-c3cc4c(s3)CCS(=O)(=O)C4)n2)cc1 ZINC000361258296 563697688 /nfs/dbraw/zinc/69/76/88/563697688.db2.gz OMTUNDPLJPFETB-UHFFFAOYSA-N 0 0 377.403 2.844 20 5 GFBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccsc1Cl)OCCO2 ZINC000437690178 563698011 /nfs/dbraw/zinc/69/80/11/563698011.db2.gz YJANZBYLUDIHID-UHFFFAOYSA-N 0 0 376.799 2.882 20 5 GFBDRN CCCN1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1=O ZINC000413772320 563705876 /nfs/dbraw/zinc/70/58/76/563705876.db2.gz WYCVOTFPUHDPGX-SNVBAGLBSA-N 0 0 384.230 2.863 20 5 GFBDRN CCOC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290833517 563723619 /nfs/dbraw/zinc/72/36/19/563723619.db2.gz UTHWLTAVVQGJQA-SNVBAGLBSA-N 0 0 380.825 2.825 20 5 GFBDRN O=C(NCCC1=CCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290870868 563724273 /nfs/dbraw/zinc/72/42/73/563724273.db2.gz SNPLWSHVXGTTAD-UHFFFAOYSA-N 0 0 382.214 2.912 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000291117415 563731947 /nfs/dbraw/zinc/73/19/47/563731947.db2.gz LCNXVLVJXLWTIZ-SNVBAGLBSA-N 0 0 393.248 2.693 20 5 GFBDRN C[S@](=O)C1(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000440569463 563745403 /nfs/dbraw/zinc/74/54/03/563745403.db2.gz RWCOMNJOPVNIIK-QFIPXVFZSA-N 0 0 384.255 2.650 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000364480344 563754680 /nfs/dbraw/zinc/75/46/80/563754680.db2.gz DWXDTODWBYPFOZ-GXTWGEPZSA-N 0 0 397.225 2.568 20 5 GFBDRN O=C(Nc1cccc(Br)n1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364889964 563767609 /nfs/dbraw/zinc/76/76/09/563767609.db2.gz SPGBPYMFXNQVJH-JTQLQIEISA-N 0 0 395.217 2.818 20 5 GFBDRN CCOCc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2Br)no1 ZINC000291997009 563768185 /nfs/dbraw/zinc/76/81/85/563768185.db2.gz UZKBSSXXTFFXMA-MRVPVSSYSA-N 0 0 399.201 2.768 20 5 GFBDRN CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443136654 563793351 /nfs/dbraw/zinc/79/33/51/563793351.db2.gz XQARHXOJVCIFDY-NSHDSACASA-N 0 0 385.269 2.977 20 5 GFBDRN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293070800 563799549 /nfs/dbraw/zinc/79/95/49/563799549.db2.gz RVHBMWUNKHGHFS-CYBMUJFWSA-N 0 0 390.845 2.748 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CCO)C1CCCCC1 ZINC000443316401 563800604 /nfs/dbraw/zinc/80/06/04/563800604.db2.gz PCOONKVHHURGAC-CYBMUJFWSA-N 0 0 376.862 2.858 20 5 GFBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000443508530 563807488 /nfs/dbraw/zinc/80/74/88/563807488.db2.gz KZGBHSIFYXCYNF-NSHDSACASA-N 0 0 380.857 2.985 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000293445882 563812731 /nfs/dbraw/zinc/81/27/31/563812731.db2.gz VKYWEVBULBGYNJ-GFCCVEGCSA-N 0 0 391.287 2.614 20 5 GFBDRN Cc1cccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1Cl ZINC000443987906 563817780 /nfs/dbraw/zinc/81/77/80/563817780.db2.gz YNXHPEGVQZOSAV-UHFFFAOYSA-N 0 0 380.813 2.911 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293682966 563821253 /nfs/dbraw/zinc/82/12/53/563821253.db2.gz VSQBTCYAZHPZRQ-NSHDSACASA-N 0 0 380.388 2.870 20 5 GFBDRN Cc1ncc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416390612 563822000 /nfs/dbraw/zinc/82/20/00/563822000.db2.gz NGCLKPKOZNLSQB-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN CCOCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000293798942 563824198 /nfs/dbraw/zinc/82/41/98/563824198.db2.gz DEJKNIBAGORTKH-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@H]1CF ZINC000294063978 563830843 /nfs/dbraw/zinc/83/08/43/563830843.db2.gz MGJGYWHJHZODEQ-VIFPVBQESA-N 0 0 378.141 2.774 20 5 GFBDRN CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455214 563830966 /nfs/dbraw/zinc/83/09/66/563830966.db2.gz KDIPOEGOOQNNTP-BXKDBHETSA-N 0 0 382.360 2.707 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000416472723 563834269 /nfs/dbraw/zinc/83/42/69/563834269.db2.gz NUZBKCSEXWTTLZ-OPRDCNLKSA-N 0 0 382.360 2.800 20 5 GFBDRN CCOC1CC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416487453 563837310 /nfs/dbraw/zinc/83/73/10/563837310.db2.gz LIEIOQRGRQYMKQ-UHFFFAOYSA-N 0 0 382.360 2.802 20 5 GFBDRN O=C(NCCNC(=O)c1ccccc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444862116 563838303 /nfs/dbraw/zinc/83/83/03/563838303.db2.gz VJKDIFRBJAZQEV-UHFFFAOYSA-N 0 0 398.238 2.579 20 5 GFBDRN C[C@H](C(=O)N1CCn2c(Br)cnc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000367266593 563838620 /nfs/dbraw/zinc/83/86/20/563838620.db2.gz IAMIWHRYQUXISE-VIFPVBQESA-N 0 0 397.204 2.839 20 5 GFBDRN C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)nc1Cl ZINC000294371181 563840448 /nfs/dbraw/zinc/84/04/48/563840448.db2.gz ORMITEGERYMIBD-SSDOTTSWSA-N 0 0 377.710 2.736 20 5 GFBDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444995466 563841264 /nfs/dbraw/zinc/84/12/64/563841264.db2.gz HLCDXUKJJPLTJS-UHFFFAOYSA-N 0 0 378.142 2.587 20 5 GFBDRN CCC(=O)N[C@@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000445187524 563845132 /nfs/dbraw/zinc/84/51/32/563845132.db2.gz QFVPZYOCNHJDKA-MRVPVSSYSA-N 0 0 390.259 2.550 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000416569345 563849960 /nfs/dbraw/zinc/84/99/60/563849960.db2.gz LEDVSYPRYAOPFZ-SECBINFHSA-N 0 0 378.472 2.563 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000367671215 563851745 /nfs/dbraw/zinc/85/17/45/563851745.db2.gz UPRNQCMMIUPJSE-HUUCEWRRSA-N 0 0 399.241 2.686 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ncsc3C2)c(C(F)(F)F)c1 ZINC000445706274 563852470 /nfs/dbraw/zinc/85/24/70/563852470.db2.gz BTKGYEDRJBQICX-UHFFFAOYSA-N 0 0 393.368 2.817 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000416631481 563855302 /nfs/dbraw/zinc/85/53/02/563855302.db2.gz LEHFERNMQKMOTQ-UHFFFAOYSA-N 0 0 388.858 2.764 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)C(C)C ZINC000416630542 563855723 /nfs/dbraw/zinc/85/57/23/563855723.db2.gz UHODYLYBKYYJRF-YPMHNXCESA-N 0 0 384.376 2.687 20 5 GFBDRN CC1(C)CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000368448551 563871221 /nfs/dbraw/zinc/87/12/21/563871221.db2.gz BPOFWKKRQZPKBK-OAHLLOKOSA-N 0 0 386.246 2.917 20 5 GFBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000368852365 563880093 /nfs/dbraw/zinc/88/00/93/563880093.db2.gz DXXZAPXOZTXAPC-ZDUSSCGKSA-N 0 0 383.788 2.762 20 5 GFBDRN CCOC(=O)c1nnc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000447329531 563880129 /nfs/dbraw/zinc/88/01/29/563880129.db2.gz LPEUIXKOOBWJBM-QMMMGPOBSA-N 0 0 382.423 2.742 20 5 GFBDRN O=C(Cc1ccccc1Br)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368922636 563882124 /nfs/dbraw/zinc/88/21/24/563882124.db2.gz ZPWOPGBKNTXFSN-ZDUSSCGKSA-N 0 0 393.241 2.960 20 5 GFBDRN CC(C)=CCSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000447692749 563884889 /nfs/dbraw/zinc/88/48/89/563884889.db2.gz IEEQSKCWLOXQMK-UHFFFAOYSA-N 0 0 385.511 2.589 20 5 GFBDRN NS(=O)(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000448101244 563893520 /nfs/dbraw/zinc/89/35/20/563893520.db2.gz NCDSKLUHSBYRGH-UHFFFAOYSA-N 0 0 376.312 2.840 20 5 GFBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc(OC)c1Br ZINC000538310782 564187459 /nfs/dbraw/zinc/18/74/59/564187459.db2.gz SAKMXVFBOQPWQM-UHFFFAOYSA-N 0 0 384.186 2.965 20 5 GFBDRN CCOC(=O)[C@@H](C)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000471237219 564189611 /nfs/dbraw/zinc/18/96/11/564189611.db2.gz MJUGUFAHPJUSMQ-SECBINFHSA-N 0 0 385.214 2.914 20 5 GFBDRN Cc1nccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1Br ZINC000563469358 564192026 /nfs/dbraw/zinc/19/20/26/564192026.db2.gz OFCIAQQJQUQDMS-UHFFFAOYSA-N 0 0 376.170 2.611 20 5 GFBDRN COc1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000538882108 564203695 /nfs/dbraw/zinc/20/36/95/564203695.db2.gz HSDHAUBZMIZFPM-CYBMUJFWSA-N 0 0 395.209 2.829 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472700482 564230545 /nfs/dbraw/zinc/23/05/45/564230545.db2.gz QQKAOUTXVTUGGT-NSHDSACASA-N 0 0 396.368 2.687 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000564604569 564240731 /nfs/dbraw/zinc/24/07/31/564240731.db2.gz UZQRRDVASSSAPA-LBPRGKRZSA-N 0 0 386.495 2.652 20 5 GFBDRN CCOC(=O)c1sc(Sc2ncc(C(=O)OC)cc2[N+](=O)[O-])nc1C ZINC000450648321 564242380 /nfs/dbraw/zinc/24/23/80/564242380.db2.gz YCHZTZVTGHBVFT-UHFFFAOYSA-N 0 0 383.407 2.869 20 5 GFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(=O)NCCc1ccccc1 ZINC000450818327 564249368 /nfs/dbraw/zinc/24/93/68/564249368.db2.gz AHDJQUXQYADGSU-NSHDSACASA-N 0 0 393.241 2.912 20 5 GFBDRN Cc1cc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)ncc1[N+](=O)[O-] ZINC000450885344 564253346 /nfs/dbraw/zinc/25/33/46/564253346.db2.gz BNRMTJSXYAPRTG-LBPRGKRZSA-N 0 0 398.232 2.885 20 5 GFBDRN O=C1CC[C@H](N2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892000 564254232 /nfs/dbraw/zinc/25/42/32/564254232.db2.gz MGLQMRLMIJJURC-LBPRGKRZSA-N 0 0 387.267 2.692 20 5 GFBDRN COc1cc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1NC(C)=O ZINC000541173920 564267994 /nfs/dbraw/zinc/26/79/94/564267994.db2.gz ZCAUUGLRPVSMRT-UHFFFAOYSA-N 0 0 385.423 2.770 20 5 GFBDRN O=C(NC[C@@H]1CCCCS1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000541269988 564271831 /nfs/dbraw/zinc/27/18/31/564271831.db2.gz MZFICDRJDGRYFW-RYUDHWBXSA-N 0 0 383.495 2.663 20 5 GFBDRN Cc1c(Br)c(=O)n(CCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000541290791 564273534 /nfs/dbraw/zinc/27/35/34/564273534.db2.gz MAIMEEQLLHSINA-UHFFFAOYSA-N 0 0 398.188 2.995 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474305939 564274528 /nfs/dbraw/zinc/27/45/28/564274528.db2.gz OJMJBFWZTOOBSB-GFCCVEGCSA-N 0 0 384.797 2.669 20 5 GFBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CCCS(=O)(=O)C1 ZINC000565357088 564276674 /nfs/dbraw/zinc/27/66/74/564276674.db2.gz PYAKJRIBGNKWBJ-SSDOTTSWSA-N 0 0 389.302 2.633 20 5 GFBDRN CCC(=O)N1CC[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000474773752 564289622 /nfs/dbraw/zinc/28/96/22/564289622.db2.gz MWKYLBIRVKITMR-NSHDSACASA-N 0 0 393.241 2.750 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000541803226 564290085 /nfs/dbraw/zinc/29/00/85/564290085.db2.gz GYXRLGWTLGFXBM-ZDUSSCGKSA-N 0 0 381.226 2.821 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[C@@H](O)C3)cc2[N+](=O)[O-])n1 ZINC000509312307 564292715 /nfs/dbraw/zinc/29/27/15/564292715.db2.gz ZUXBKLXFKHGXFF-RNCFNFMXSA-N 0 0 379.463 2.964 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[S@@](=O)C3)cc2[N+](=O)[O-])n1 ZINC000474969924 564295639 /nfs/dbraw/zinc/29/56/39/564295639.db2.gz QAVZBBWTZDIGEZ-JPQMIFPKSA-N 0 0 397.503 2.762 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000475080861 564299529 /nfs/dbraw/zinc/29/95/29/564299529.db2.gz WJEMCRGCAKWMKA-JTQLQIEISA-N 0 0 384.223 2.644 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCOC[C@H]1CCOC1 ZINC000542195537 564304270 /nfs/dbraw/zinc/30/42/70/564304270.db2.gz JCWWJTSYQRSEMH-GFCCVEGCSA-N 0 0 388.873 2.900 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542218708 564305115 /nfs/dbraw/zinc/30/51/15/564305115.db2.gz TZNHRKQFQJQISX-AOOOYVTPSA-N 0 0 386.246 2.617 20 5 GFBDRN Cc1c(Br)c(=O)n(CC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000542219264 564305142 /nfs/dbraw/zinc/30/51/42/564305142.db2.gz JFYCVKMIJXQSIM-QFIPXVFZSA-N 0 0 385.239 2.635 20 5 GFBDRN CCc1oc(C(=O)OC)cc1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000542220719 564305257 /nfs/dbraw/zinc/30/52/57/564305257.db2.gz ULNTWWHKZDECMH-UHFFFAOYSA-N 0 0 399.197 2.818 20 5 GFBDRN COC(=O)[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccccc1 ZINC000542506100 564316539 /nfs/dbraw/zinc/31/65/39/564316539.db2.gz LPOGIRPJPHYCFG-GFCCVEGCSA-N 0 0 394.225 2.851 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000451699995 564341240 /nfs/dbraw/zinc/34/12/40/564341240.db2.gz WMOSMQSIOSPLCV-LBPRGKRZSA-N 0 0 393.259 2.512 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000451775145 564350430 /nfs/dbraw/zinc/35/04/30/564350430.db2.gz CQHWYLBPFOZFFP-NXEZZACHSA-N 0 0 382.360 2.955 20 5 GFBDRN COc1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000543621377 564356517 /nfs/dbraw/zinc/35/65/17/564356517.db2.gz OEKCWHOPFKMDLY-UHFFFAOYSA-N 0 0 384.841 2.820 20 5 GFBDRN COc1ccc(NC(=O)c2cncc(I)c2)cc1[N+](=O)[O-] ZINC000543856287 564366502 /nfs/dbraw/zinc/36/65/02/564366502.db2.gz CKENDJZRSOEUMQ-UHFFFAOYSA-N 0 0 399.144 2.855 20 5 GFBDRN CO[C@@H]([C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000916 564379175 /nfs/dbraw/zinc/37/91/75/564379175.db2.gz XGKRXEKPRXEQIY-SDBXPKJASA-N 0 0 382.360 2.705 20 5 GFBDRN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000477806160 564388735 /nfs/dbraw/zinc/38/87/35/564388735.db2.gz KIJKBEXMGIFYED-SECBINFHSA-N 0 0 382.218 2.561 20 5 GFBDRN CC(C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)C ZINC000512183859 564394414 /nfs/dbraw/zinc/39/44/14/564394414.db2.gz UIZMUSKAMKDOFN-LBPRGKRZSA-N 0 0 392.861 2.893 20 5 GFBDRN CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000544710073 564395406 /nfs/dbraw/zinc/39/54/06/564395406.db2.gz RPWCUJUGHRTSPO-GXTWGEPZSA-N 0 0 387.230 2.590 20 5 GFBDRN CCOC(=O)c1nnsc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000512362221 564399488 /nfs/dbraw/zinc/39/94/88/564399488.db2.gz QMNSHOINXMEGAN-QMMMGPOBSA-N 0 0 382.423 2.742 20 5 GFBDRN CSc1cccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000452621624 564423234 /nfs/dbraw/zinc/42/32/34/564423234.db2.gz JJVCWWBTFYBNLS-UHFFFAOYSA-N 0 0 377.344 2.511 20 5 GFBDRN O=[N+]([O-])c1cnn(Cc2nc(Cc3ccc(F)c(Br)c3)no2)c1 ZINC000545670877 564429886 /nfs/dbraw/zinc/42/98/86/564429886.db2.gz RSUYKXAFEKOJFM-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(F)F ZINC000452842826 564433937 /nfs/dbraw/zinc/43/39/37/564433937.db2.gz DVZQYQZUASEPDE-ZCFIWIBFSA-N 0 0 384.120 2.973 20 5 GFBDRN CCCc1nc(C)c(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000513820699 564440200 /nfs/dbraw/zinc/44/02/00/564440200.db2.gz UYPQIUGXQXFHHB-UHFFFAOYSA-N 0 0 383.451 2.968 20 5 GFBDRN CCO[C@H]1COCC[C@@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000546053322 564442140 /nfs/dbraw/zinc/44/21/40/564442140.db2.gz LKKXJSFHAHJUJA-ZFWWWQNUSA-N 0 0 396.241 2.933 20 5 GFBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(I)c(O)c1 ZINC000546159720 564446643 /nfs/dbraw/zinc/44/66/43/564446643.db2.gz FWFNMNXWJMWFFD-UHFFFAOYSA-N 0 0 398.156 2.835 20 5 GFBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000569274983 564456071 /nfs/dbraw/zinc/45/60/71/564456071.db2.gz VZTMBBYPMKWHLD-UHFFFAOYSA-N 0 0 385.239 2.977 20 5 GFBDRN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000480201206 564463129 /nfs/dbraw/zinc/46/31/29/564463129.db2.gz PIHGQWPVBCYYFY-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000480195235 564463379 /nfs/dbraw/zinc/46/33/79/564463379.db2.gz BQKZDEGSBNSQEE-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(=O)[nH]1 ZINC000480204543 564464304 /nfs/dbraw/zinc/46/43/04/564464304.db2.gz YPQKMHIYKKRGQN-UHFFFAOYSA-N 0 0 377.300 2.823 20 5 GFBDRN O=c1ccc(Br)cn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546938334 564474291 /nfs/dbraw/zinc/47/42/91/564474291.db2.gz DGBLOOBWLNKOGB-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ncccn3)no2)c(I)c1 ZINC000547022837 564477186 /nfs/dbraw/zinc/47/71/86/564477186.db2.gz RHAMGGYCBKFNRB-UHFFFAOYSA-N 0 0 395.116 2.706 20 5 GFBDRN CC[C@@H](C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379052 564477444 /nfs/dbraw/zinc/47/74/44/564477444.db2.gz FVRPAYXDBWKJFE-KOLCDFICSA-N 0 0 378.834 2.504 20 5 GFBDRN CCCC[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(=O)OC ZINC000480546300 564477462 /nfs/dbraw/zinc/47/74/62/564477462.db2.gz BKEYLADFGOGTCH-CQSZACIVSA-N 0 0 390.483 2.669 20 5 GFBDRN CS(=O)(=O)c1ccc(NCc2noc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000569768187 564477663 /nfs/dbraw/zinc/47/76/63/564477663.db2.gz BRHIJCUSZLUUKJ-UHFFFAOYSA-N 0 0 380.407 2.722 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)O[C@]3(CCCOC3)C2)ncc1[N+](=O)[O-] ZINC000481127987 564504169 /nfs/dbraw/zinc/50/41/69/564504169.db2.gz ZTCWMBSQQNXINU-ZUZCIYMTSA-N 0 0 386.246 2.835 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@H]1C1CCC1 ZINC000516869720 564514495 /nfs/dbraw/zinc/51/44/95/564514495.db2.gz NNNDIDPLWOTRHP-HNNXBMFYSA-N 0 0 383.242 2.927 20 5 GFBDRN COC(=O)c1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000481727657 564520459 /nfs/dbraw/zinc/52/04/59/564520459.db2.gz VOIHTGRRNFESCM-UHFFFAOYSA-N 0 0 383.154 2.667 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000481928924 564527746 /nfs/dbraw/zinc/52/77/46/564527746.db2.gz TTWCTWFUSOZWTC-UHFFFAOYSA-N 0 0 375.332 2.774 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000570951547 564528647 /nfs/dbraw/zinc/52/86/47/564528647.db2.gz BVAGNUBASJVOKT-NSHDSACASA-N 0 0 385.442 2.918 20 5 GFBDRN CN(Cc1ccc(Br)cc1Cl)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000482346956 564541001 /nfs/dbraw/zinc/54/10/01/564541001.db2.gz BTEMVHYXJIJGEX-UHFFFAOYSA-N 0 0 387.621 2.866 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000517870013 564543259 /nfs/dbraw/zinc/54/32/59/564543259.db2.gz QSNJPERJPAZLPR-UHFFFAOYSA-N 0 0 375.878 2.709 20 5 GFBDRN Cc1c(CN(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cnn1C ZINC000548399452 564550973 /nfs/dbraw/zinc/55/09/73/564550973.db2.gz GFLPEQGQFXNVNG-UHFFFAOYSA-N 0 0 381.230 2.980 20 5 GFBDRN C[C@@H](Cc1cnn(C)c1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455403467 564552890 /nfs/dbraw/zinc/55/28/90/564552890.db2.gz PRPHSKOUNFUWMB-VIFPVBQESA-N 0 0 382.218 2.844 20 5 GFBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000483380374 564566093 /nfs/dbraw/zinc/56/60/93/564566093.db2.gz GPBXQGPZUXQSMF-MRVWCRGKSA-N 0 0 387.230 2.588 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000483399667 564566381 /nfs/dbraw/zinc/56/63/81/564566381.db2.gz WIBKZPAGLALARI-UHFFFAOYSA-N 0 0 382.167 2.673 20 5 GFBDRN C[C@@H]1CO[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571961857 564574555 /nfs/dbraw/zinc/57/45/55/564574555.db2.gz PQDQXSLXSQYKLF-ZJUUUORDSA-N 0 0 376.194 2.809 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@](C)(C(F)(F)F)O1 ZINC000549513359 564596812 /nfs/dbraw/zinc/59/68/12/564596812.db2.gz YCCQABMUZVCIKB-NSHDSACASA-N 0 0 388.389 2.777 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1[N+](=O)[O-] ZINC000456273182 564598182 /nfs/dbraw/zinc/59/81/82/564598182.db2.gz HTMPFGKBNIVCHF-NSHDSACASA-N 0 0 397.204 2.956 20 5 GFBDRN CC(C)[C@]1(CO)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000549556711 564598482 /nfs/dbraw/zinc/59/84/82/564598482.db2.gz OOEMLTVHDKFLTL-OAHLLOKOSA-N 0 0 376.862 2.667 20 5 GFBDRN Cc1c(Br)c(N2CCC([C@H]3NC(=O)C3(C)C)CC2)ncc1[N+](=O)[O-] ZINC000549659281 564601495 /nfs/dbraw/zinc/60/14/95/564601495.db2.gz OWCHUPCVEMZOMQ-CYBMUJFWSA-N 0 0 397.273 2.802 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000572744171 564607955 /nfs/dbraw/zinc/60/79/55/564607955.db2.gz KOZSWJZEZGFOMO-UHFFFAOYSA-N 0 0 392.209 2.965 20 5 GFBDRN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000521148249 564621231 /nfs/dbraw/zinc/62/12/31/564621231.db2.gz XFPQMLDFRHCJMW-UHFFFAOYSA-N 0 0 392.213 2.998 20 5 GFBDRN Cc1cc(Br)c2c(c1)CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])CC2 ZINC000573265076 564630379 /nfs/dbraw/zinc/63/03/79/564630379.db2.gz QRJFKQLEMPVKIN-UHFFFAOYSA-N 0 0 391.225 2.672 20 5 GFBDRN Cc1c(Br)c(N2CCC(Oc3cnccn3)CC2)ncc1[N+](=O)[O-] ZINC000486009987 564635258 /nfs/dbraw/zinc/63/52/58/564635258.db2.gz XZRCOUNGDNCVBV-UHFFFAOYSA-N 0 0 394.229 2.899 20 5 GFBDRN O=[N+]([O-])c1cnn(CCNc2cc(C(F)(F)F)c(Br)cn2)c1 ZINC000573440386 564637669 /nfs/dbraw/zinc/63/76/69/564637669.db2.gz LGUFEMNGVVWEAF-UHFFFAOYSA-N 0 0 380.124 2.502 20 5 GFBDRN Cc1c(Br)cc(C(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000457132636 564649549 /nfs/dbraw/zinc/64/95/49/564649549.db2.gz AMMDPTHJFNJUHL-UHFFFAOYSA-N 0 0 380.202 2.846 20 5 GFBDRN O=C(NCCc1cccs1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551713110 564661540 /nfs/dbraw/zinc/66/15/40/564661540.db2.gz XUEDDOFGMUGPDL-UHFFFAOYSA-N 0 0 398.238 2.716 20 5 GFBDRN CC1(C)CC(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551753228 564662506 /nfs/dbraw/zinc/66/25/06/564662506.db2.gz RPQHYWFLPZISAG-UHFFFAOYSA-N 0 0 384.230 2.848 20 5 GFBDRN Cn1ccnc1[C@@H](NCc1n[nH]cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000552058710 564675330 /nfs/dbraw/zinc/67/53/30/564675330.db2.gz XMJQWJUFQAZSKX-AWEZNQCLSA-N 0 0 391.229 2.693 20 5 GFBDRN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000524283470 564680312 /nfs/dbraw/zinc/68/03/12/564680312.db2.gz JBZNPNNZVFGMGT-UHFFFAOYSA-N 0 0 399.226 2.525 20 5 GFBDRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000524623164 564684632 /nfs/dbraw/zinc/68/46/32/564684632.db2.gz CXVRKNJESKSIFO-AWEZNQCLSA-N 0 0 383.495 2.700 20 5 GFBDRN Cc1ncc(S(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000487352332 564684655 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1CC(F)F ZINC000553658956 564730872 /nfs/dbraw/zinc/73/08/72/564730872.db2.gz ALJMSLDYUUTUNU-NSHDSACASA-N 0 0 393.184 2.782 20 5 GFBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn(C)c1=O ZINC000489185180 564732219 /nfs/dbraw/zinc/73/22/19/564732219.db2.gz GKUOZHLGYINRDX-UHFFFAOYSA-N 0 0 380.198 2.546 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000489199948 564732648 /nfs/dbraw/zinc/73/26/48/564732648.db2.gz YQHIUXJFFCOLLL-LBPRGKRZSA-N 0 0 388.511 2.896 20 5 GFBDRN COC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000580529870 564763289 /nfs/dbraw/zinc/76/32/89/564763289.db2.gz JSWHTYIQOAVOIY-UHFFFAOYSA-N 0 0 394.181 2.720 20 5 GFBDRN CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000490452099 564772509 /nfs/dbraw/zinc/77/25/09/564772509.db2.gz IQUVWJWIJFLASP-UHFFFAOYSA-N 0 0 379.316 2.815 20 5 GFBDRN CN(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921788 564777397 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CC(C)SCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588134419 565127427 /nfs/dbraw/zinc/12/74/27/565127427.db2.gz QHNMMIVPNHCAGB-UHFFFAOYSA-N 0 0 383.289 2.777 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000614857940 565136937 /nfs/dbraw/zinc/13/69/37/565136937.db2.gz OHHNJXCWKYCUNK-ZDUSSCGKSA-N 0 0 382.360 2.635 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000588847101 565140292 /nfs/dbraw/zinc/14/02/92/565140292.db2.gz KOLBGCWWTKWSCU-LBPRGKRZSA-N 0 0 384.841 2.840 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972833 565146747 /nfs/dbraw/zinc/14/67/47/565146747.db2.gz IAKJKJUZJVHTMQ-GFCCVEGCSA-N 0 0 387.889 2.542 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000615889483 565179674 /nfs/dbraw/zinc/17/96/74/565179674.db2.gz FWIRIAWBFGBNBP-VIFPVBQESA-N 0 0 379.157 2.508 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000590556046 565191895 /nfs/dbraw/zinc/19/18/95/565191895.db2.gz DFDNXRJKYZZIJF-SNVBAGLBSA-N 0 0 382.170 2.639 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000590761485 565202311 /nfs/dbraw/zinc/20/23/11/565202311.db2.gz CORUKWCPGFVQCZ-ZJUUUORDSA-N 0 0 382.360 2.955 20 5 GFBDRN C[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326603 565223416 /nfs/dbraw/zinc/22/34/16/565223416.db2.gz VYFFUTKNPTYHOP-NXEZZACHSA-N 0 0 382.360 2.707 20 5 GFBDRN CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591324488 565223719 /nfs/dbraw/zinc/22/37/19/565223719.db2.gz BKHMNVAIBUKKLF-SNVBAGLBSA-N 0 0 382.360 2.661 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CCC[C@H](OC(F)F)C1 ZINC000591366471 565226892 /nfs/dbraw/zinc/22/68/92/565226892.db2.gz HALFYKXEGCYXKM-ZETCQYMHSA-N 0 0 399.135 2.802 20 5 GFBDRN CO[C@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000591366487 565227013 /nfs/dbraw/zinc/22/70/13/565227013.db2.gz NPTBJROOCJFFDX-VIFPVBQESA-N 0 0 377.182 2.600 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](O)C(F)(F)F ZINC000591786698 565239979 /nfs/dbraw/zinc/23/99/79/565239979.db2.gz XKONPOJNXYBRDO-LHLIQPBNSA-N 0 0 385.136 2.707 20 5 GFBDRN C[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000591995068 565245807 /nfs/dbraw/zinc/24/58/07/565245807.db2.gz ONNAIMSBJZQBKC-SECBINFHSA-N 0 0 389.193 2.742 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCC[C@@]1(O)CCCOC1 ZINC000593520559 565338303 /nfs/dbraw/zinc/33/83/03/565338303.db2.gz ZWXSAGCWWQBKPK-ZDUSSCGKSA-N 0 0 392.193 2.543 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619457771 565342372 /nfs/dbraw/zinc/34/23/72/565342372.db2.gz HWOSNMMSFJXQFL-MLGOLLRUSA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1noc([C@H]2C[C@H](O)CN2c2cc(C)c([N+](=O)[O-])cc2Br)n1 ZINC000619745257 565357566 /nfs/dbraw/zinc/35/75/66/565357566.db2.gz WNAIGRPFAWYURC-TVQRCGJNSA-N 0 0 383.202 2.669 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000594471087 565392580 /nfs/dbraw/zinc/39/25/80/565392580.db2.gz FFQSCZHOAWOYFY-UHFFFAOYSA-N 0 0 397.197 2.695 20 5 GFBDRN C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594477276 565393758 /nfs/dbraw/zinc/39/37/58/565393758.db2.gz LEPMVBRKCOWTRQ-VIFPVBQESA-N 0 0 378.834 2.504 20 5 GFBDRN Cc1cnc(OC2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)nc1 ZINC000594592331 565401875 /nfs/dbraw/zinc/40/18/75/565401875.db2.gz VBGGLPGPTMAYQW-UHFFFAOYSA-N 0 0 394.229 2.899 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595377835 565470475 /nfs/dbraw/zinc/47/04/75/565470475.db2.gz NPFNMSIPSBKZIX-AMIZOPFISA-N 0 0 383.253 2.541 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c1C ZINC000595398858 565474023 /nfs/dbraw/zinc/47/40/23/565474023.db2.gz AJBAACOCHBHXMG-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595407298 565474965 /nfs/dbraw/zinc/47/49/65/565474965.db2.gz LWOCISFLTMIPSO-ZBEGNZNMSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415943 565475771 /nfs/dbraw/zinc/47/57/71/565475771.db2.gz SVCSLBDVXHVDNE-ZDUSSCGKSA-N 0 0 384.788 2.601 20 5 GFBDRN O=[N+]([O-])c1cnn(CCN2CCOC[C@@H]2c2cccc(Br)c2)c1 ZINC000595761251 565491353 /nfs/dbraw/zinc/49/13/53/565491353.db2.gz LXCUFZJRTLUIJZ-OAHLLOKOSA-N 0 0 381.230 2.627 20 5 GFBDRN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595823615 565492634 /nfs/dbraw/zinc/49/26/34/565492634.db2.gz PFIFKQARGRFMHG-CYBMUJFWSA-N 0 0 385.262 2.545 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000596119794 565514033 /nfs/dbraw/zinc/51/40/33/565514033.db2.gz CCIBHIZUFIENFN-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN O=c1[nH]ccc(NC[C@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000596209534 565515141 /nfs/dbraw/zinc/51/51/41/565515141.db2.gz HCLXQGPENOKAPK-LLVKDONJSA-N 0 0 382.214 2.721 20 5 GFBDRN Cc1nccnc1N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596221176 565515388 /nfs/dbraw/zinc/51/53/88/565515388.db2.gz AQKLTQXLTBQOFJ-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN CS(=O)(=O)N1CC[C@@H](COc2ccc([N+](=O)[O-])cc2-c2cccs2)C1 ZINC000596248285 565517083 /nfs/dbraw/zinc/51/70/83/565517083.db2.gz WNFYGCRZSYENTB-GFCCVEGCSA-N 0 0 382.463 2.984 20 5 GFBDRN CC(C)(C)OCCCNc1c(I)cncc1[N+](=O)[O-] ZINC000596467340 565525172 /nfs/dbraw/zinc/52/51/72/565525172.db2.gz WZBPCCXZNUXMIP-UHFFFAOYSA-N 0 0 379.198 2.633 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C(C)(C)C1(F)F ZINC000596513457 565525936 /nfs/dbraw/zinc/52/59/36/565525936.db2.gz XLUVJXOQTXNTRG-ZDUSSCGKSA-N 0 0 377.413 2.986 20 5 GFBDRN CNC(=O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000597250799 565558120 /nfs/dbraw/zinc/55/81/20/565558120.db2.gz ZWDGMQQBUNMGIN-UHFFFAOYSA-N 0 0 382.214 2.795 20 5 GFBDRN C[C@@H]1CN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000089 565588057 /nfs/dbraw/zinc/58/80/57/565588057.db2.gz XNSKQWDYPPQQJL-NWDGAFQWSA-N 0 0 387.889 2.566 20 5 GFBDRN CCc1[nH]nc(C(=O)Nc2cnc(OC)c(Br)c2C)c1[N+](=O)[O-] ZINC000598020132 565589214 /nfs/dbraw/zinc/58/92/14/565589214.db2.gz FKHRKXOFRHATLK-UHFFFAOYSA-N 0 0 384.190 2.607 20 5 GFBDRN CSc1cccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c1[N+](=O)[O-] ZINC000598204010 565601548 /nfs/dbraw/zinc/60/15/48/565601548.db2.gz HWZBGRSNKMQJBM-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000598231516 565603710 /nfs/dbraw/zinc/60/37/10/565603710.db2.gz UAVKDTWITNEOLG-OAHLLOKOSA-N 0 0 392.209 2.966 20 5 GFBDRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)s1 ZINC000598555915 565625628 /nfs/dbraw/zinc/62/56/28/565625628.db2.gz IZHDMTNZWWHUIN-SECBINFHSA-N 0 0 381.435 2.919 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623283 565630473 /nfs/dbraw/zinc/63/04/73/565630473.db2.gz VPXFKLIAKUYHIO-QMMMGPOBSA-N 0 0 399.213 2.989 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC2(F)F)c(Br)c1 ZINC000598622563 565630678 /nfs/dbraw/zinc/63/06/78/565630678.db2.gz PPXVLPJPQQDUAE-SSDOTTSWSA-N 0 0 385.186 2.681 20 5 GFBDRN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC000598891326 565648361 /nfs/dbraw/zinc/64/83/61/565648361.db2.gz MOMJUQYEJKPVMG-QMMMGPOBSA-N 0 0 381.186 2.519 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2ccc(F)c(Br)c2C1 ZINC000598940362 565650453 /nfs/dbraw/zinc/65/04/53/565650453.db2.gz RPNFIXMMJXYDLD-UHFFFAOYSA-N 0 0 396.216 2.716 20 5 GFBDRN Cn1cc([C@H]2C[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])CCO2)cn1 ZINC000599107416 565656325 /nfs/dbraw/zinc/65/63/25/565656325.db2.gz JJFUAQXXGMCRBT-DGCLKSJQSA-N 0 0 382.218 2.818 20 5 GFBDRN C[C@@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599221450 565662726 /nfs/dbraw/zinc/66/27/26/565662726.db2.gz YVVHYYOAESIXFF-JTQLQIEISA-N 0 0 384.845 2.896 20 5 GFBDRN CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599355825 565672096 /nfs/dbraw/zinc/67/20/96/565672096.db2.gz HPHFLPSDZLAPJG-UHFFFAOYSA-N 0 0 386.861 2.829 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599420809 565678146 /nfs/dbraw/zinc/67/81/46/565678146.db2.gz FLHHYZAOWTXHPT-GHMZBOCLSA-N 0 0 390.483 2.645 20 5 GFBDRN CN(C(=O)CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000599633242 565694143 /nfs/dbraw/zinc/69/41/43/565694143.db2.gz OMYKINWBDMUELL-UHFFFAOYSA-N 0 0 398.257 2.878 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599850201 565704392 /nfs/dbraw/zinc/70/43/92/565704392.db2.gz SMTKMCZMTFTKCB-OHUAYANFSA-N 0 0 399.241 2.766 20 5 GFBDRN C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000599873738 565704528 /nfs/dbraw/zinc/70/45/28/565704528.db2.gz KUKAPJCRRZWMQF-BZNIZROVSA-N 0 0 399.241 2.767 20 5 GFBDRN CCOC[C@@H]1CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCO1 ZINC000600409642 565728422 /nfs/dbraw/zinc/72/84/22/565728422.db2.gz HBWNNJWDTPHIIF-LBPRGKRZSA-N 0 0 387.230 2.543 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600483516 565731945 /nfs/dbraw/zinc/73/19/45/565731945.db2.gz HSDIQYHJRPEDML-UXGGDIESSA-N 0 0 376.356 2.739 20 5 GFBDRN COC[C@@]1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCO1 ZINC000600809302 565750798 /nfs/dbraw/zinc/75/07/98/565750798.db2.gz OOHQMOSENDAMJT-OAHLLOKOSA-N 0 0 387.230 2.543 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(Cc2ccsc2)CC1 ZINC000601100746 565767333 /nfs/dbraw/zinc/76/73/33/565767333.db2.gz GIELLGOOOCSXAI-UHFFFAOYSA-N 0 0 375.376 2.731 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000601166426 565769060 /nfs/dbraw/zinc/76/90/60/565769060.db2.gz NNBPKNFBCSHKKH-SSDOTTSWSA-N 0 0 375.273 2.786 20 5 GFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(Br)cnn1C ZINC000601746638 565801918 /nfs/dbraw/zinc/80/19/18/565801918.db2.gz SVOOUYCWNHQEPZ-LBPRGKRZSA-N 0 0 395.257 2.976 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601836057 565805837 /nfs/dbraw/zinc/80/58/37/565805837.db2.gz KRTNUKOGGQALMI-WCBMZHEXSA-N 0 0 398.790 2.970 20 5 GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](C(F)F)CC1 ZINC000601973688 565811816 /nfs/dbraw/zinc/81/18/16/565811816.db2.gz ITQYPYUKISFZMH-ZANVPECISA-N 0 0 377.775 2.931 20 5 GFBDRN CC(=O)N(C)C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602449602 565848488 /nfs/dbraw/zinc/84/84/88/565848488.db2.gz DWDKZGRUIGFORR-UHFFFAOYSA-N 0 0 376.276 2.862 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602682636 565862169 /nfs/dbraw/zinc/86/21/69/565862169.db2.gz NJGWEEKHOQMADW-SECBINFHSA-N 0 0 397.316 2.818 20 5 GFBDRN CC1(C)[C@H](N2CCOCC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000603400491 565902177 /nfs/dbraw/zinc/90/21/77/565902177.db2.gz YMOKQEJUYGRKTF-QWHCGFSZSA-N 0 0 385.262 2.664 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1snc(OC)c1Br ZINC000603413867 565903673 /nfs/dbraw/zinc/90/36/73/565903673.db2.gz XCERYVWRADXUAZ-UHFFFAOYSA-N 0 0 376.236 2.959 20 5 GFBDRN O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NCc1cccc([N+](=O)[O-])c1 ZINC000604470591 565929168 /nfs/dbraw/zinc/92/91/68/565929168.db2.gz BHYSDHCYLCEIKD-UHFFFAOYSA-N 0 0 388.854 2.541 20 5 GFBDRN CN(Cc1ccccc1Br)C(=O)CCNc1ccc([N+](=O)[O-])cn1 ZINC000609513094 566041439 /nfs/dbraw/zinc/04/14/39/566041439.db2.gz URCMAXPWDPXCCZ-UHFFFAOYSA-N 0 0 393.241 2.635 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@H]1C(F)(F)F ZINC000610047471 566062100 /nfs/dbraw/zinc/06/21/00/566062100.db2.gz GYABDZATXNBHQA-PELKAZGASA-N 0 0 382.722 2.805 20 5 GFBDRN C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263217 566073789 /nfs/dbraw/zinc/07/37/89/566073789.db2.gz AWTRJLBNMJJKDJ-SECBINFHSA-N 0 0 382.269 2.522 20 5 GFBDRN CO[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccc(Cl)c1 ZINC000610282267 566075190 /nfs/dbraw/zinc/07/51/90/566075190.db2.gz BWWTZMGIQVMRQF-CQSZACIVSA-N 0 0 385.829 2.695 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000610338279 566078507 /nfs/dbraw/zinc/07/85/07/566078507.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ncc(Br)cn1 ZINC000433008803 563600141 /nfs/dbraw/zinc/60/01/41/563600141.db2.gz ZVXQHBCMPJEBCI-SNVBAGLBSA-N 0 0 394.229 2.745 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ncc(Br)cn1 ZINC000433005721 563600484 /nfs/dbraw/zinc/60/04/84/563600484.db2.gz CPOPSCNSOSQTDD-JTQLQIEISA-N 0 0 394.229 2.745 20 5 GFBDRN O=C(CN1CC[C@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300226 563609375 /nfs/dbraw/zinc/60/93/75/563609375.db2.gz SODYTRCIFFGZCH-AWEZNQCLSA-N 0 0 398.257 2.675 20 5 GFBDRN CC1(C)CN=C(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)S1 ZINC000287820262 563619257 /nfs/dbraw/zinc/61/92/57/563619257.db2.gz KVKUKLKCZJKPSJ-UHFFFAOYSA-N 0 0 378.483 2.603 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H](C)[S@]1=O ZINC000288113622 563629527 /nfs/dbraw/zinc/62/95/27/563629527.db2.gz XOCBAUBTHQOIED-BHMTWIQISA-N 0 0 378.372 2.985 20 5 GFBDRN CCC[C@@]1(CO)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000288283699 563636865 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563830897 /nfs/dbraw/zinc/83/08/97/563830897.db2.gz HRKZXYOITCYUTR-LLVKDONJSA-N 0 0 382.360 2.851 20 5 GFBDRN C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457193 563831560 /nfs/dbraw/zinc/83/15/60/563831560.db2.gz XBPOKOHQYIHVCK-VHSXEESVSA-N 0 0 382.360 2.707 20 5 GFBDRN CC1(C)CC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416470412 563833602 /nfs/dbraw/zinc/83/36/02/563833602.db2.gz HDWFPYAOYZBLSI-JTQLQIEISA-N 0 0 382.360 2.850 20 5 GFBDRN COC[C@H]1CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000294240350 563835376 /nfs/dbraw/zinc/83/53/76/563835376.db2.gz GKLNVGJPVIMXHT-SECBINFHSA-N 0 0 385.207 2.948 20 5 GFBDRN CCC[C@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000416481314 563835769 /nfs/dbraw/zinc/83/57/69/563835769.db2.gz BWTZFRUEYHOLDN-ZDUSSCGKSA-N 0 0 382.360 2.851 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000416496121 563838623 /nfs/dbraw/zinc/83/86/23/563838623.db2.gz 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O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368126671 563864532 /nfs/dbraw/zinc/86/45/32/563864532.db2.gz SNHYXFWVLRTRLQ-MRVPVSSYSA-N 0 0 380.202 2.759 20 5 GFBDRN O=C(Nc1cccc2c1OCC(=O)N2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000368234690 563866775 /nfs/dbraw/zinc/86/67/75/563866775.db2.gz CUUOZOQJMRHFPG-UHFFFAOYSA-N 0 0 392.165 2.941 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@H](C(=O)N(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417071358 563866957 /nfs/dbraw/zinc/86/69/57/563866957.db2.gz HOLXDNRXKRJDDO-JTQLQIEISA-N 0 0 399.245 2.608 20 5 GFBDRN Cc1cc(=O)[nH]cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446937685 563870250 /nfs/dbraw/zinc/87/02/50/563870250.db2.gz FOPUVEYTEROJKS-UHFFFAOYSA-N 0 0 377.300 2.823 20 5 GFBDRN Cc1csc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000446970411 563871661 /nfs/dbraw/zinc/87/16/61/563871661.db2.gz AIGOGXSXRGEFLX-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN CO[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030431 563872705 /nfs/dbraw/zinc/87/27/05/563872705.db2.gz UVVAUOUDJABNFJ-NWDGAFQWSA-N 0 0 382.360 2.705 20 5 GFBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl ZINC000368852364 563879961 /nfs/dbraw/zinc/87/99/61/563879961.db2.gz DXXZAPXOZTXAPC-CYBMUJFWSA-N 0 0 383.788 2.762 20 5 GFBDRN CCNC(=O)C(C)(C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000448057283 563893663 /nfs/dbraw/zinc/89/36/63/563893663.db2.gz BHPLFIBEWUVUAF-UHFFFAOYSA-N 0 0 395.257 2.902 20 5 GFBDRN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nn(C)cc1Br ZINC000449482753 564189129 /nfs/dbraw/zinc/18/91/29/564189129.db2.gz CXXDNKLHHAZFHL-SNVBAGLBSA-N 0 0 396.245 2.598 20 5 GFBDRN COc1cccc(C(=O)NCCCCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000471284920 564191695 /nfs/dbraw/zinc/19/16/95/564191695.db2.gz ATCYFDOKJRHOPT-UHFFFAOYSA-N 0 0 397.229 2.773 20 5 GFBDRN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(Br)c1 ZINC000506600551 564205495 /nfs/dbraw/zinc/20/54/95/564205495.db2.gz LFFANGBZTXOXDX-GFCCVEGCSA-N 0 0 396.197 2.720 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000563814699 564207773 /nfs/dbraw/zinc/20/77/73/564207773.db2.gz RMZMTAPOAGKLLN-MEDUHNTESA-N 0 0 386.857 2.750 20 5 GFBDRN Cc1nc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC000450273681 564224672 /nfs/dbraw/zinc/22/46/72/564224672.db2.gz HPHFXUWIPRZWLQ-LBPRGKRZSA-N 0 0 392.257 2.816 20 5 GFBDRN O=C(Nc1cncnc1-n1cccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000539664020 564225245 /nfs/dbraw/zinc/22/52/45/564225245.db2.gz WCXSYWYREWXJHW-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450300684 564225838 /nfs/dbraw/zinc/22/58/38/564225838.db2.gz HCOITOYNQZDFPA-UHFFFAOYSA-N 0 0 394.229 2.627 20 5 GFBDRN COc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000472753206 564232812 /nfs/dbraw/zinc/23/28/12/564232812.db2.gz PXRGJHBOUOOTHU-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN Cn1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc(Cl)c1=O ZINC000472905551 564236265 /nfs/dbraw/zinc/23/62/65/564236265.db2.gz BDRJIYKOIARQMS-UHFFFAOYSA-N 0 0 386.589 2.962 20 5 GFBDRN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000473122203 564239956 /nfs/dbraw/zinc/23/99/56/564239956.db2.gz LHQLFLHJDUDBFV-RYUDHWBXSA-N 0 0 384.458 2.797 20 5 GFBDRN CN1c2ccc(Br)cc2N(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1(C)C ZINC000473555573 564249767 /nfs/dbraw/zinc/24/97/67/564249767.db2.gz SVMUWHIVVDCJPH-UHFFFAOYSA-N 0 0 394.229 2.956 20 5 GFBDRN Cc1nc(NC[C@H](CO)Cc2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000450852702 564252174 /nfs/dbraw/zinc/25/21/74/564252174.db2.gz ZWWYYSIDXAQIRO-LLVKDONJSA-N 0 0 398.232 2.885 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@]2(C(F)(F)F)CCOC2)cc1[N+](=O)[O-] ZINC000508085805 564252422 /nfs/dbraw/zinc/25/24/22/564252422.db2.gz BAAVNZLORMCCCD-LLVKDONJSA-N 0 0 388.751 2.556 20 5 GFBDRN COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000541156933 564267548 /nfs/dbraw/zinc/26/75/48/564267548.db2.gz VKEWAPZWLKRADA-UHFFFAOYSA-N 0 0 383.813 2.915 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(F)cc2c1OCOC2 ZINC000474346037 564274914 /nfs/dbraw/zinc/27/49/14/564274914.db2.gz BBHWIAVJBSVSFA-UHFFFAOYSA-N 0 0 385.145 2.573 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1noc(Cc2ccccc2)n1 ZINC000474360135 564276214 /nfs/dbraw/zinc/27/62/14/564276214.db2.gz ZHUGQEUFHKUGPJ-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN COC(=O)c1ccc(Br)cc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000509084582 564281886 /nfs/dbraw/zinc/28/18/86/564281886.db2.gz RNQXKNIUBRJWRV-UHFFFAOYSA-N 0 0 381.182 2.662 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOc2ncc(Br)cc21 ZINC000541643272 564285218 /nfs/dbraw/zinc/28/52/18/564285218.db2.gz YCCZYDLHWMBWEB-UHFFFAOYSA-N 0 0 382.145 2.931 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000541760535 564288201 /nfs/dbraw/zinc/28/82/01/564288201.db2.gz JANIDPFBCHYKQY-AWEZNQCLSA-N 0 0 388.804 2.540 20 5 GFBDRN Cn1c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2n(C)c1=O ZINC000474790448 564289576 /nfs/dbraw/zinc/28/95/76/564289576.db2.gz MFIDOAKSRJUZMJ-UHFFFAOYSA-N 0 0 378.186 2.686 20 5 GFBDRN C[C@H]1Oc2ccc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2NC1=O ZINC000542101689 564301477 /nfs/dbraw/zinc/30/14/77/564301477.db2.gz JMJDWUUACHUKNN-SSDOTTSWSA-N 0 0 383.407 2.523 20 5 GFBDRN NC(=O)c1ccnc(N[C@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000566041844 564307584 /nfs/dbraw/zinc/30/75/84/564307584.db2.gz CHFPWEONNSVJCB-LBPRGKRZSA-N 0 0 392.213 2.809 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000509926495 564318509 /nfs/dbraw/zinc/31/85/09/564318509.db2.gz GYAYMHFSHMMENO-JTQLQIEISA-N 0 0 379.214 2.700 20 5 GFBDRN NC(=O)c1ccc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])o1 ZINC000476161175 564328333 /nfs/dbraw/zinc/32/83/33/564328333.db2.gz PFEJEAOWSNZFPA-UHFFFAOYSA-N 0 0 391.181 2.631 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1SCCc2ccccc21 ZINC000542970645 564334566 /nfs/dbraw/zinc/33/45/66/564334566.db2.gz QQMFMOPRXJKIGI-HNNXBMFYSA-N 0 0 379.463 2.685 20 5 GFBDRN O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000543026779 564335536 /nfs/dbraw/zinc/33/55/36/564335536.db2.gz XFVXLAHPBYQERG-AWEZNQCLSA-N 0 0 390.193 2.503 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000543145913 564339402 /nfs/dbraw/zinc/33/94/02/564339402.db2.gz NCOVCXXYPPDQDY-UHFFFAOYSA-N 0 0 394.225 2.578 20 5 GFBDRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000476639587 564349448 /nfs/dbraw/zinc/34/94/48/564349448.db2.gz XXVFKBOUPKMEMN-UHFFFAOYSA-N 0 0 396.197 2.501 20 5 GFBDRN CC(C)(CO)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000566924418 564349638 /nfs/dbraw/zinc/34/96/38/564349638.db2.gz QBTYFBPUNKMEKJ-OAHLLOKOSA-N 0 0 385.258 2.813 20 5 GFBDRN CCOC(=O)C1(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000477096771 564364412 /nfs/dbraw/zinc/36/44/12/564364412.db2.gz CRXOXTXBRGCVKV-UHFFFAOYSA-N 0 0 376.456 2.543 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000511333271 564368012 /nfs/dbraw/zinc/36/80/12/564368012.db2.gz KQSGIKFSUCPJED-UHFFFAOYSA-N 0 0 380.813 2.683 20 5 GFBDRN Cc1ccc(CSCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)cc1 ZINC000543901534 564368581 /nfs/dbraw/zinc/36/85/81/564368581.db2.gz NAJJBEIVEYYZNG-UHFFFAOYSA-N 0 0 381.479 2.896 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1F ZINC000544077573 564373107 /nfs/dbraw/zinc/37/31/07/564373107.db2.gz GTKKTKRIKUIKPJ-UHFFFAOYSA-N 0 0 398.188 2.914 20 5 GFBDRN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Br)cn1 ZINC000477798658 564388305 /nfs/dbraw/zinc/38/83/05/564388305.db2.gz GXUCQEBTEOXXNW-QMMMGPOBSA-N 0 0 394.181 2.972 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)OC)ns1 ZINC000567991817 564399745 /nfs/dbraw/zinc/39/97/45/564399745.db2.gz AHNXAISSJRMLPW-UHFFFAOYSA-N 0 0 382.423 2.987 20 5 GFBDRN O=c1ccn(Cc2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] ZINC000544904286 564402929 /nfs/dbraw/zinc/40/29/29/564402929.db2.gz QICXLTNRIGSCSM-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=c1ccc(Br)cn1CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000544933302 564404560 /nfs/dbraw/zinc/40/45/60/564404560.db2.gz JVZJEMMUVQZTNM-UHFFFAOYSA-N 0 0 391.181 2.812 20 5 GFBDRN COc1ccc(OCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000512925723 564415815 /nfs/dbraw/zinc/41/58/15/564415815.db2.gz MWUNAHAWEHTNRC-UHFFFAOYSA-N 0 0 386.451 2.949 20 5 GFBDRN Cc1cnc(NCCCNS(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000513083025 564419631 /nfs/dbraw/zinc/41/96/31/564419631.db2.gz MVUDHDHITUTCFD-UHFFFAOYSA-N 0 0 384.845 2.732 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c(=O)c1Br ZINC000513338532 564426714 /nfs/dbraw/zinc/42/67/14/564426714.db2.gz MZVYSVJJCOALBI-UHFFFAOYSA-N 0 0 380.198 2.773 20 5 GFBDRN Nc1ccc(-c2noc(-c3cc(I)c[nH]3)n2)cc1[N+](=O)[O-] ZINC000545551031 564427446 /nfs/dbraw/zinc/42/74/46/564427446.db2.gz QCDKIVOORHMLOW-UHFFFAOYSA-N 0 0 397.132 2.827 20 5 GFBDRN COc1ccc(Cc2nc(Cn3cc(Br)cn3)no2)cc1[N+](=O)[O-] ZINC000545741401 564431639 /nfs/dbraw/zinc/43/16/39/564431639.db2.gz 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565517606 /nfs/dbraw/zinc/51/76/06/565517606.db2.gz CYJGHBGBZCHQGE-UHFFFAOYSA-N 0 0 389.271 2.905 20 5 GFBDRN CN(c1ccccc1)[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596518457 565525990 /nfs/dbraw/zinc/52/59/90/565525990.db2.gz XMCOFXZSEWAMBC-ZDUSSCGKSA-N 0 0 381.479 2.775 20 5 GFBDRN C[C@@](CO)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000597747685 565574314 /nfs/dbraw/zinc/57/43/14/565574314.db2.gz HCFJEHLJIQVUHN-HNNXBMFYSA-N 0 0 387.223 2.512 20 5 GFBDRN CC(C)(C)N1C[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000598381050 565611665 /nfs/dbraw/zinc/61/16/65/565611665.db2.gz HGEBCMXTSKYTFP-SNVBAGLBSA-N 0 0 398.257 2.734 20 5 GFBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598427091 565617118 /nfs/dbraw/zinc/61/71/18/565617118.db2.gz GMGPLGRLQPNZKK-LBPRGKRZSA-N 0 0 393.241 2.916 20 5 GFBDRN CCOC(=O)C12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598445760 565618843 /nfs/dbraw/zinc/61/88/43/565618843.db2.gz FWUHKBYUWMBDBB-UHFFFAOYSA-N 0 0 383.198 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/nfs/dbraw/zinc/65/66/59/565656659.db2.gz FBKYPFOSEKSHJS-SNVBAGLBSA-N 0 0 381.186 2.511 20 5 GFBDRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599091661 565657072 /nfs/dbraw/zinc/65/70/72/565657072.db2.gz LBBDSKWRBAPBKB-NSHDSACASA-N 0 0 395.213 2.985 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)n1 ZINC000599321436 565670242 /nfs/dbraw/zinc/67/02/42/565670242.db2.gz APRFUECGEQUGRL-UHFFFAOYSA-N 0 0 391.236 2.777 20 5 GFBDRN CCC(O)(CC)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599507832 565687012 /nfs/dbraw/zinc/68/70/12/565687012.db2.gz UBFPEEMQFHCINO-UHFFFAOYSA-N 0 0 395.275 2.529 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@]1(C2CCCC2)CCNC1=O ZINC000599917554 565705583 /nfs/dbraw/zinc/70/55/83/565705583.db2.gz SIWYHZBWIZUHJN-INIZCTEOSA-N 0 0 396.241 2.992 20 5 GFBDRN Cc1sc(S(=O)(=O)[N-]c2ccccc2[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000600664064 565743243 /nfs/dbraw/zinc/74/32/43/565743243.db2.gz SMIGVVGDEMJWDA-NSHDSACASA-N 0 0 381.435 2.717 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600748772 565748046 /nfs/dbraw/zinc/74/80/46/565748046.db2.gz VMZDTQVRSUSSPV-CQSZACIVSA-N 0 0 387.223 2.728 20 5 GFBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1C[C@@H]2C[C@H]1CO2 ZINC000600778352 565749559 /nfs/dbraw/zinc/74/95/59/565749559.db2.gz WNZSYVJQCVZYDG-UWVGGRQHSA-N 0 0 383.191 2.701 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCc3cc(F)cc(Br)c3C2)c1[N+](=O)[O-] ZINC000600793597 565750474 /nfs/dbraw/zinc/75/04/74/565750474.db2.gz QAEIVRJPPHSSME-UHFFFAOYSA-N 0 0 383.177 2.726 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(Cc2cccs2)CC1 ZINC000601100242 565767455 /nfs/dbraw/zinc/76/74/55/565767455.db2.gz JHAGUUDZVWXOSS-UHFFFAOYSA-N 0 0 375.376 2.731 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000601245538 565772283 /nfs/dbraw/zinc/77/22/83/565772283.db2.gz HKZFUUOBQNDVEU-SNVBAGLBSA-N 0 0 381.376 2.624 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000602311056 565838426 /nfs/dbraw/zinc/83/84/26/565838426.db2.gz XILXUENMWLAKKG-JIMOISOXSA-N 0 0 377.198 2.615 20 5 GFBDRN Cn1cc(Br)c(=NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC000602352444 565841481 /nfs/dbraw/zinc/84/14/81/565841481.db2.gz MEUPEIPVFAMTBM-UHFFFAOYSA-N 0 0 379.214 2.573 20 5 GFBDRN COC(=O)[C@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000602818941 565868824 /nfs/dbraw/zinc/86/88/24/565868824.db2.gz OJRWMOXENKFPQX-OAHLLOKOSA-N 0 0 387.223 2.813 20 5 GFBDRN CNC(=O)C1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000603552934 565911613 /nfs/dbraw/zinc/91/16/13/565911613.db2.gz ZBSFKUKGBOHZIR-UHFFFAOYSA-N 0 0 393.241 2.868 20 5 GFBDRN CCS(=O)(=O)Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000604187183 565925378 /nfs/dbraw/zinc/92/53/78/565925378.db2.gz LXNBSJMAXFWCAD-UHFFFAOYSA-N 0 0 385.423 2.679 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000609127632 566031431 /nfs/dbraw/zinc/03/14/31/566031431.db2.gz OMYSDPGBMNTMKO-LBPRGKRZSA-N 0 0 393.241 2.705 20 5 GFBDRN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)Sc1ccc(Br)cc1 ZINC000609463998 566040059 /nfs/dbraw/zinc/04/00/59/566040059.db2.gz NVFNVTBTDOUQRD-MRVPVSSYSA-N 0 0 384.259 2.574 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610086620 566065727 /nfs/dbraw/zinc/06/57/27/566065727.db2.gz VSWJXFJRSDQHSW-LLVKDONJSA-N 0 0 388.751 2.508 20 5 GFBDRN CC[C@](C)(NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000610247410 566072786 /nfs/dbraw/zinc/07/27/86/566072786.db2.gz IQNRCDFOEVJFMM-ZDUSSCGKSA-N 0 0 379.360 2.633 20 5 GFBDRN CSc1ccncc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610543886 566086340 /nfs/dbraw/zinc/08/63/40/566086340.db2.gz DWCBFLQNYJYINS-UHFFFAOYSA-N 0 0 378.435 2.541 20 5 GFBDRN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570034 566088006 /nfs/dbraw/zinc/08/80/06/566088006.db2.gz SSQIYMXBMHFCCL-UHFFFAOYSA-N 0 0 392.165 2.941 20 5 GFBDRN CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610955881 566107529 /nfs/dbraw/zinc/10/75/29/566107529.db2.gz GNJCWUSEWUQDLE-SNVBAGLBSA-N 0 0 382.360 2.661 20 5 GFBDRN CCN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611083910 566113182 /nfs/dbraw/zinc/11/31/82/566113182.db2.gz NUAKPHCFZJFCMG-SECBINFHSA-N 0 0 382.269 2.616 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000611469282 566131143 /nfs/dbraw/zinc/13/11/43/566131143.db2.gz CEIWMRIXESAAAZ-JOYOIKCWSA-N 0 0 382.360 2.850 20 5 GFBDRN CCOC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613477000 566198918 /nfs/dbraw/zinc/19/89/18/566198918.db2.gz PQVGPFJTSKNGMD-LBPRGKRZSA-N 0 0 390.483 2.709 20 5 GFBDRN C[C@@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040153 598884913 /nfs/dbraw/zinc/88/49/13/598884913.db2.gz NPGLLGIFWKCLCY-JTQLQIEISA-N 0 0 387.327 2.538 20 5 GFBDRN C[C@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736040154 598884962 /nfs/dbraw/zinc/88/49/62/598884962.db2.gz NPGLLGIFWKCLCY-SNVBAGLBSA-N 0 0 387.327 2.538 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H](Cn2cccn2)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738370774 599044989 /nfs/dbraw/zinc/04/49/89/599044989.db2.gz QGFRIVYXMFZZAU-QGZVFWFLSA-N 0 0 376.380 2.825 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[nH]n3)cc2)c2ccncc21 ZINC000823640016 599049296 /nfs/dbraw/zinc/04/92/96/599049296.db2.gz PJBXCHOSONQEHH-UHFFFAOYSA-N 0 0 377.364 2.814 20 5 GFBDRN COc1cc(-c2nn[nH]n2)cc(Cl)c1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000737025796 599180181 /nfs/dbraw/zinc/18/01/81/599180181.db2.gz NJFHJTWNDNUKHF-UHFFFAOYSA-N 0 0 389.755 2.965 20 5 GFBDRN COc1cccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737141847 599231133 /nfs/dbraw/zinc/23/11/33/599231133.db2.gz ZNOPEWKJHSZQIA-ZDUSSCGKSA-N 0 0 395.423 2.864 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCCOc3ccc(F)cc3)cc(-c3nn[nH]n3)c2c1 ZINC000738366897 599271466 /nfs/dbraw/zinc/27/14/66/599271466.db2.gz JWGAMDGDPSRPLD-UHFFFAOYSA-N 0 0 395.354 2.953 20 5 GFBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823031569 607327494 /nfs/dbraw/zinc/32/74/94/607327494.db2.gz DTDVHSKYIRCAFM-UHFFFAOYSA-N 0 0 392.734 2.585 20 5 GFBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736739036 598311406 /nfs/dbraw/zinc/31/14/06/598311406.db2.gz HESLVRAHDSIDEM-UHFFFAOYSA-N 0 0 388.384 2.669 20 5 GFBDRN O=[N+]([O-])c1cnc(Nc2ccc(OCC(F)(F)F)cc2)c(-c2nn[nH]n2)c1 ZINC000738374256 598498454 /nfs/dbraw/zinc/49/84/54/598498454.db2.gz LYYRXWVKOZHMSL-UHFFFAOYSA-N 0 0 381.274 2.855 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737619979 598551836 /nfs/dbraw/zinc/55/18/36/598551836.db2.gz YNRWMPYJAOFXSN-UHFFFAOYSA-N 0 0 392.379 2.831 20 5 GFBDRN O=C(OCCCOc1ccc(-c2nn[nH]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738221643 598583900 /nfs/dbraw/zinc/58/39/00/598583900.db2.gz LOSUSBJNCCIBAC-UHFFFAOYSA-N 0 0 387.327 2.540 20 5 GFBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737841542 598599651 /nfs/dbraw/zinc/59/96/51/598599651.db2.gz LNOSQBLRPZDWKI-UHFFFAOYSA-N 0 0 385.359 2.745 20 5 GFBDRN O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1)N1CCCC1 ZINC000738266870 598673350 /nfs/dbraw/zinc/67/33/50/598673350.db2.gz AOTRBFWTCHJVLP-UHFFFAOYSA-N 0 0 380.364 2.803 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@](O)(c2ccccc2)C(F)(F)F)c(-c2nn[nH]n2)c1 ZINC000738368224 598676576 /nfs/dbraw/zinc/67/65/76/598676576.db2.gz AVNDLJCQFYZWNE-HNNXBMFYSA-N 0 0 394.313 2.637 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000738235374 598710204 /nfs/dbraw/zinc/71/02/04/598710204.db2.gz KVQUIQLCSWHGQB-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN O=[N+]([O-])c1cccc(OCCn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000738370591 598802665 /nfs/dbraw/zinc/80/26/65/598802665.db2.gz WENMRUCAPIQSTI-UHFFFAOYSA-N 0 0 377.364 2.717 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737262322 599324178 /nfs/dbraw/zinc/32/41/78/599324178.db2.gz DOWYPAARAJDBPP-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1ccc(OC(F)F)c(NCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738366102 599327070 /nfs/dbraw/zinc/32/70/70/599327070.db2.gz CJIVPMDWLFTXJX-UHFFFAOYSA-N 0 0 392.322 2.867 20 5 GFBDRN C[C@](O)(CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000820467306 599568279 /nfs/dbraw/zinc/56/82/79/599568279.db2.gz DILKICIRFZQDJO-KRWDZBQOSA-N 0 0 397.420 2.704 20 5 GFBDRN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000477832839 600316786 /nfs/dbraw/zinc/31/67/86/600316786.db2.gz DYUIQGCKWHMAQD-NOLJZWGESA-N 0 0 389.408 2.611 20 5 GFBDRN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000740098800 600365943 /nfs/dbraw/zinc/36/59/43/600365943.db2.gz ZKQFJKVFVMXSLN-GFCCVEGCSA-N 0 0 378.385 2.656 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000826254091 607443748 /nfs/dbraw/zinc/44/37/48/607443748.db2.gz TYTFGUJOAPDSBX-UHFFFAOYSA-N 0 0 375.291 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ZINC000826211299 607966503 /nfs/dbraw/zinc/96/65/03/607966503.db2.gz WZPZMWKTMHDHQJ-UHFFFAOYSA-N 0 0 384.396 2.837 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000826497897 607987375 /nfs/dbraw/zinc/98/73/75/607987375.db2.gz YAMOQGMFVIWDSX-UHFFFAOYSA-N 0 0 376.380 2.705 20 5 GFBDRN CC(=O)c1ccc(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000824024451 608051725 /nfs/dbraw/zinc/05/17/25/608051725.db2.gz FNIXRIQKGAWIHA-SFHVURJKSA-N 0 0 394.391 2.555 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(F)c1 ZINC000826498473 608052906 /nfs/dbraw/zinc/05/29/06/608052906.db2.gz WNJVQPVQDPAIDN-OAHLLOKOSA-N 0 0 388.334 2.631 20 5 GFBDRN C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824391826 608123452 /nfs/dbraw/zinc/12/34/52/608123452.db2.gz KYISIXBATKUYKY-ZUZCIYMTSA-N 0 0 395.379 2.840 20 5 GFBDRN CC(C)(C)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)no1 ZINC000824129709 608159048 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2.919 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCSCC(F)(F)F)cc1Cl ZINC000809829750 659946072 /nfs/dbraw/zinc/94/60/72/659946072.db2.gz LTNYXOFVEDYFJN-UHFFFAOYSA-N 0 0 396.771 2.961 20 5 GFBDRN CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809832268 659946736 /nfs/dbraw/zinc/94/67/36/659946736.db2.gz IIJAFZREPQONDS-RNCFNFMXSA-N 0 0 380.825 2.559 20 5 GFBDRN CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)C1 ZINC000809843576 659948414 /nfs/dbraw/zinc/94/84/14/659948414.db2.gz OAOVGJXJIOAZMM-VIFPVBQESA-N 0 0 382.269 2.616 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@@H](C(F)F)C2)c1 ZINC000810003517 659956047 /nfs/dbraw/zinc/95/60/47/659956047.db2.gz ADYPNXUUKQROFR-LLVKDONJSA-N 0 0 398.147 2.665 20 5 GFBDRN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000810015112 659956316 /nfs/dbraw/zinc/95/63/16/659956316.db2.gz ICSICZMTEKAHOA-LBPRGKRZSA-N 0 0 396.296 2.757 20 5 GFBDRN C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000810356507 659970437 /nfs/dbraw/zinc/97/04/37/659970437.db2.gz TUJPWESZORUCIB-JTQLQIEISA-N 0 0 384.230 2.944 20 5 GFBDRN CC(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810375136 659970942 /nfs/dbraw/zinc/97/09/42/659970942.db2.gz RTUAMCAEEZVJMV-JTQLQIEISA-N 0 0 384.230 2.800 20 5 GFBDRN O=C(OCCc1cnc2c(Br)cnn2c1)c1cccc([N+](=O)[O-])c1 ZINC000811163761 660002374 /nfs/dbraw/zinc/00/23/74/660002374.db2.gz ZUQIIGOKHIUREE-UHFFFAOYSA-N 0 0 391.181 2.800 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(NCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000811851455 660016894 /nfs/dbraw/zinc/01/68/94/660016894.db2.gz ZKYWBJLJJWQWLQ-UHFFFAOYSA-N 0 0 386.162 2.652 20 5 GFBDRN Cc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000811868406 660017059 /nfs/dbraw/zinc/01/70/59/660017059.db2.gz YKAZCCYHYXXAPZ-UWVGGRQHSA-N 0 0 377.260 2.678 20 5 GFBDRN O=C(NOC/C=C/Cl)c1ccc([N+](=O)[O-])cc1I ZINC000812404918 660026466 /nfs/dbraw/zinc/02/64/66/660026466.db2.gz MDHVLQLOUMFTRM-DAFODLJHSA-N 0 0 382.541 2.613 20 5 GFBDRN Cn1nc2c(c1CNC(=O)c1cc([N+](=O)[O-])ccc1Br)CCCC2 ZINC000812557088 660030224 /nfs/dbraw/zinc/03/02/24/660030224.db2.gz LPZHIKPQIWPCNF-UHFFFAOYSA-N 0 0 393.241 2.900 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813018303 660040428 /nfs/dbraw/zinc/04/04/28/660040428.db2.gz QURVEYFSBAWPNJ-NXEZZACHSA-N 0 0 395.264 2.987 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCOC[C@@H](C3CCC3)C2)c1 ZINC000813759666 660063420 /nfs/dbraw/zinc/06/34/20/660063420.db2.gz RALHOHGUUQCRST-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)c[nH]1 ZINC000814530883 660088234 /nfs/dbraw/zinc/08/82/34/660088234.db2.gz ITXDKUJZWXZQFO-UHFFFAOYSA-N 0 0 383.154 2.829 20 5 GFBDRN Cn1ncc(CCCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])n1 ZINC000814896893 660098125 /nfs/dbraw/zinc/09/81/25/660098125.db2.gz KJQJJLZCONFICC-UHFFFAOYSA-N 0 0 391.229 2.501 20 5 GFBDRN CC(C)C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815012462 660101245 /nfs/dbraw/zinc/10/12/45/660101245.db2.gz IMNQLRWWSMFXFL-JTQLQIEISA-N 0 0 380.825 2.823 20 5 GFBDRN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815014747 660101470 /nfs/dbraw/zinc/10/14/70/660101470.db2.gz ACXHYRWPPIZOQW-SSDOTTSWSA-N 0 0 391.808 2.902 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCOC[C@H]1c1ccco1 ZINC000815015353 660101629 /nfs/dbraw/zinc/10/16/29/660101629.db2.gz GFTZFBKEVLKAPF-LBPRGKRZSA-N 0 0 390.776 2.743 20 5 GFBDRN C[C@H](O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000815016092 660101631 /nfs/dbraw/zinc/10/16/31/660101631.db2.gz YDNLJKSRFUXPIY-VIFPVBQESA-N 0 0 388.804 2.919 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000815017408 660101852 /nfs/dbraw/zinc/10/18/52/660101852.db2.gz KOPAAEVVJVRREX-LBPRGKRZSA-N 0 0 392.767 2.538 20 5 GFBDRN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000815030534 660104262 /nfs/dbraw/zinc/10/42/62/660104262.db2.gz OPQAAXQCMXBSAH-TVQRCGJNSA-N 0 0 394.852 2.805 20 5 GFBDRN COC[C@@H]1CCCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815033143 660104615 /nfs/dbraw/zinc/10/46/15/660104615.db2.gz AFMHFWMJVCPCQQ-SNVBAGLBSA-N 0 0 380.825 2.825 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000815038470 660105720 /nfs/dbraw/zinc/10/57/20/660105720.db2.gz JLIKWNFPBAOQJC-NSHDSACASA-N 0 0 391.852 2.683 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000815062692 660108501 /nfs/dbraw/zinc/10/85/01/660108501.db2.gz NHHCAEVCVRZEDM-OAHLLOKOSA-N 0 0 376.862 2.776 20 5 GFBDRN Cc1nccnc1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815078262 660110132 /nfs/dbraw/zinc/11/01/32/660110132.db2.gz UEGGKKMJADDCKX-UHFFFAOYSA-N 0 0 391.236 2.521 20 5 GFBDRN Cn1cc(Br)c(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000816031106 660140897 /nfs/dbraw/zinc/14/08/97/660140897.db2.gz MXRWBNJPKNLTDH-GFCCVEGCSA-N 0 0 395.213 2.527 20 5 GFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC000816903900 660171967 /nfs/dbraw/zinc/17/19/67/660171967.db2.gz SHJUCTHLIPHFIG-UHFFFAOYSA-N 0 0 382.825 2.593 20 5 GFBDRN CC[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000817146486 660183430 /nfs/dbraw/zinc/18/34/30/660183430.db2.gz QGZZOXNHPJZBLU-NXEZZACHSA-N 0 0 393.259 2.593 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC(F)(F)C(F)(F)C1 ZINC000841540373 661294665 /nfs/dbraw/zinc/29/46/65/661294665.db2.gz YXOCESYUCHUAGP-UHFFFAOYSA-N 0 0 380.678 2.662 20 5 GFBDRN COC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841555495 661299499 /nfs/dbraw/zinc/29/94/99/661299499.db2.gz HKWBTOBXEWCNSO-SECBINFHSA-N 0 0 397.236 2.522 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H](C)O1 ZINC000841561867 661301800 /nfs/dbraw/zinc/30/18/00/661301800.db2.gz ZPDMLZVBDCOTLR-HRDYMLBCSA-N 0 0 383.253 2.993 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nnc(C2CC2)s1 ZINC000841566328 661304017 /nfs/dbraw/zinc/30/40/17/661304017.db2.gz 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CC(C)O[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000845639290 661485045 /nfs/dbraw/zinc/48/50/45/661485045.db2.gz SHLYUCVSOUWQQB-LLVKDONJSA-N 0 0 378.397 2.985 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845650828 661485167 /nfs/dbraw/zinc/48/51/67/661485167.db2.gz KILAXFNIMSOHAL-KGLIPLIRSA-N 0 0 395.840 2.893 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCC1(CO)CCC1 ZINC000845743090 661495251 /nfs/dbraw/zinc/49/52/51/661495251.db2.gz GULIAQGEEWFVOG-UHFFFAOYSA-N 0 0 382.360 2.853 20 5 GFBDRN C[C@H](c1nccc(N)n1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846894749 661569267 /nfs/dbraw/zinc/56/92/67/661569267.db2.gz GOQOROJRWKORPP-SECBINFHSA-N 0 0 378.230 2.849 20 5 GFBDRN CC[C@@H](COCC1CC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849419780 661720462 /nfs/dbraw/zinc/72/04/62/661720462.db2.gz OVWFBLPZJIIYTJ-JTQLQIEISA-N 0 0 380.825 2.871 20 5 GFBDRN COc1c(S(=O)(=O)N[C@@H]2C=CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000849428250 661722930 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Cc1ccc(N)cc1S(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000851775781 661831571 /nfs/dbraw/zinc/83/15/71/661831571.db2.gz VYKXXUBYOAZBNM-INIZCTEOSA-N 0 0 379.463 2.922 20 5 GFBDRN CNS(=O)(=O)c1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000851820797 661834687 /nfs/dbraw/zinc/83/46/87/661834687.db2.gz IBUZSMWYHRDNJZ-UHFFFAOYSA-N 0 0 383.857 2.788 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3COC[C@H]3C2)c(Cl)cc1Cl ZINC000851833170 661836691 /nfs/dbraw/zinc/83/66/91/661836691.db2.gz KHNADCAFABBVEB-RKDXNWHRSA-N 0 0 381.237 2.559 20 5 GFBDRN COC(=O)[C@@](C)(NCc1onc(C)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000851842009 661838054 /nfs/dbraw/zinc/83/80/54/661838054.db2.gz OFXYBVDQPFBUJG-HNNXBMFYSA-N 0 0 398.213 2.832 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@]1(C)CO ZINC000851850620 661838836 /nfs/dbraw/zinc/83/88/36/661838836.db2.gz REEAZPUYLNUQFB-ISVAXAHUSA-N 0 0 383.253 2.541 20 5 GFBDRN CO[C@H](CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 ZINC000852021926 661849569 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O=C(NCC[S@](=O)CC(F)(F)F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855265670 661979082 /nfs/dbraw/zinc/97/90/82/661979082.db2.gz BYQTVQIMARSRKB-QHCPKHFHSA-N 0 0 393.170 2.942 20 5 GFBDRN CSc1cccc(C(=O)N2CCn3ncc(Br)c3C2)c1[N+](=O)[O-] ZINC000856011367 662015697 /nfs/dbraw/zinc/01/56/97/662015697.db2.gz GNSPVSUJELESAL-UHFFFAOYSA-N 0 0 397.254 2.932 20 5 GFBDRN COc1cc(C(=O)NCC2SCCS2)c([N+](=O)[O-])cc1OC(F)F ZINC000856167968 662023572 /nfs/dbraw/zinc/02/35/72/662023572.db2.gz WKVMDDATEQVRSC-UHFFFAOYSA-N 0 0 380.394 2.741 20 5 GFBDRN O=C(NCC[C@H]1CC1(Cl)Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000856890226 662050011 /nfs/dbraw/zinc/05/00/11/662050011.db2.gz ACOBRIZXBKWANT-JTQLQIEISA-N 0 0 376.244 2.722 20 5 GFBDRN O=C(OCCSCc1nccs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000857052534 662061177 /nfs/dbraw/zinc/06/11/77/662061177.db2.gz NDVSXOPTRSPVEB-UHFFFAOYSA-N 0 0 382.419 2.913 20 5 GFBDRN CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857677075 662086373 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CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000861301976 662238424 /nfs/dbraw/zinc/23/84/24/662238424.db2.gz JBWUNIXVPXIDRF-KYZUINATSA-N 0 0 377.134 2.534 20 5 GFBDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000861944353 662264735 /nfs/dbraw/zinc/26/47/35/662264735.db2.gz QUVPMVFBZGZQSK-DTORHVGOSA-N 0 0 375.759 2.936 20 5 GFBDRN O=C1[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000863360068 662322729 /nfs/dbraw/zinc/32/27/29/662322729.db2.gz XTVLQFXTZGVEEC-VIFPVBQESA-N 0 0 383.120 2.899 20 5 GFBDRN Cc1nccn1C[C@H](C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864942904 662392047 /nfs/dbraw/zinc/39/20/47/662392047.db2.gz NNSPIYWICUFAIH-LLVKDONJSA-N 0 0 395.257 2.857 20 5 GFBDRN CCC[C@](C)(NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC ZINC000864975172 662393271 /nfs/dbraw/zinc/39/32/71/662393271.db2.gz MRMNXGGYADNLAR-HNNXBMFYSA-N 0 0 387.230 2.748 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1Cl ZINC000866076932 662459455 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O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000867792105 662575920 /nfs/dbraw/zinc/57/59/20/662575920.db2.gz NBMYQYZNHDUQHK-UHFFFAOYSA-N 0 0 392.209 2.585 20 5 GFBDRN Cc1ccc(CN(CCO)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000867951974 662589028 /nfs/dbraw/zinc/58/90/28/662589028.db2.gz RBOOHQMAFXWXBP-UHFFFAOYSA-N 0 0 397.225 2.822 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCOC2 ZINC000868155001 662596805 /nfs/dbraw/zinc/59/68/05/662596805.db2.gz LIKIIYLNIJWTKV-INIZCTEOSA-N 0 0 383.242 2.929 20 5 GFBDRN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869226633 662636300 /nfs/dbraw/zinc/63/63/00/662636300.db2.gz YBNHDVMVVUAADG-LBPRGKRZSA-N 0 0 384.274 2.889 20 5 GFBDRN O=C(O[C@@H]1CCN(C2CCC2)C1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000869494786 662649107 /nfs/dbraw/zinc/64/91/07/662649107.db2.gz ZDFDFEITIKYNFS-SECBINFHSA-N 0 0 389.227 2.729 20 5 GFBDRN O=C(O[C@H]1CCN(C2CCC2)C1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000869494788 662649149 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GFBDRN Cn1cc(CN2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])n1 ZINC000876643981 662864118 /nfs/dbraw/zinc/86/41/18/662864118.db2.gz RWHQTQUHUMDIQU-AWEZNQCLSA-N 0 0 381.230 2.664 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccnc3Br)C2)nc1 ZINC000876753473 662865853 /nfs/dbraw/zinc/86/58/53/662865853.db2.gz LCDJVTXZTOGYAY-LBPRGKRZSA-N 0 0 378.230 2.834 20 5 GFBDRN O=C1OCCN1C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877555067 662878751 /nfs/dbraw/zinc/87/87/51/662878751.db2.gz SRVLAODJVVBPJV-SECBINFHSA-N 0 0 390.259 2.693 20 5 GFBDRN Cc1ccnc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Br ZINC000877576284 662879363 /nfs/dbraw/zinc/87/93/63/662879363.db2.gz IFTKYCABYDKYKY-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN O=C(NCCc1ccns1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000881502684 662995922 /nfs/dbraw/zinc/99/59/22/662995922.db2.gz RBQINPMXGAOPHL-UHFFFAOYSA-N 0 0 375.328 2.965 20 5 GFBDRN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881861755 663006644 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GFBDRN CC[C@H]1C(=O)NCCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000886534007 663113647 /nfs/dbraw/zinc/11/36/47/663113647.db2.gz YISYZMDNHGKHBC-VIFPVBQESA-N 0 0 378.187 2.781 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000887805333 663162230 /nfs/dbraw/zinc/16/22/30/663162230.db2.gz JJJOSBNWSFEXQC-WCQYABFASA-N 0 0 399.241 2.625 20 5 GFBDRN C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000889715949 663258328 /nfs/dbraw/zinc/25/83/28/663258328.db2.gz KZDKBVCTGWIAIH-XHDPSFHLSA-N 0 0 384.230 2.535 20 5 GFBDRN C[C@H](O)C[C@H]1CCCN1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726804 663261402 /nfs/dbraw/zinc/26/14/02/663261402.db2.gz YJVVZTOFZPKYFX-GXFFZTMASA-N 0 0 386.246 2.802 20 5 GFBDRN COCCN(CC(F)F)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889729136 663261628 /nfs/dbraw/zinc/26/16/28/663261628.db2.gz IUTJGFVYMZHTGW-UHFFFAOYSA-N 0 0 396.188 2.780 20 5 GFBDRN CC(C)(C)[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000891356318 663337037 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CCCCNC(=O)[C@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439113447 563717491 /nfs/dbraw/zinc/71/74/91/563717491.db2.gz FIVGXYWDKFHWEU-CYBMUJFWSA-N 0 0 385.873 2.988 20 5 GFBDRN C[C@]1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])OCCc2sccc21 ZINC000290774889 563721437 /nfs/dbraw/zinc/72/14/37/563721437.db2.gz VSZZJRQZBWCSJC-MRXNPFEDSA-N 0 0 382.463 2.960 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1 ZINC000291492882 563745333 /nfs/dbraw/zinc/74/53/33/563745333.db2.gz MWRXSSYKSAQNSI-UHFFFAOYSA-N 0 0 388.251 2.838 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000291994881 563768345 /nfs/dbraw/zinc/76/83/45/563768345.db2.gz SGSPHINZQTYRDX-LLVKDONJSA-N 0 0 388.251 2.696 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOc2c(Br)cccc21 ZINC000442240254 563770123 /nfs/dbraw/zinc/77/01/23/563770123.db2.gz MVAHQKVBBQFEAW-UHFFFAOYSA-N 0 0 399.222 2.945 20 5 GFBDRN CSc1ccc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000365251439 563778477 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Cc1csc(NC(=O)CSCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000443485475 563806834 /nfs/dbraw/zinc/80/68/34/563806834.db2.gz ONWYIMWRMWQXMO-UHFFFAOYSA-N 0 0 380.451 2.979 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CCOCC(F)(F)C1 ZINC000366502374 563811573 /nfs/dbraw/zinc/81/15/73/563811573.db2.gz XPXBIRLLJWNQOS-UHFFFAOYSA-N 0 0 383.120 2.604 20 5 GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000293707416 563822460 /nfs/dbraw/zinc/82/24/60/563822460.db2.gz AULIJVYPSYSROJ-JTQLQIEISA-N 0 0 386.246 2.640 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CCOC3)c(C(F)(F)F)c1 ZINC000366964917 563825964 /nfs/dbraw/zinc/82/59/64/563825964.db2.gz YKOSCSKOXOXULL-CYBMUJFWSA-N 0 0 380.344 2.557 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000367129858 563832339 /nfs/dbraw/zinc/83/23/39/563832339.db2.gz WYBYGPCDZZSRED-UHFFFAOYSA-N 0 0 376.166 2.956 20 5 GFBDRN CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416473458 563834309 /nfs/dbraw/zinc/83/43/09/563834309.db2.gz OZBOWLOHFXQTHS-ZYHUDNBSSA-N 0 0 382.360 2.538 20 5 GFBDRN COC[C@@H]1CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000294240353 563835056 /nfs/dbraw/zinc/83/50/56/563835056.db2.gz GKLNVGJPVIMXHT-VIFPVBQESA-N 0 0 385.207 2.948 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccncn3)C2)c(Cl)c1 ZINC000367190849 563835344 /nfs/dbraw/zinc/83/53/44/563835344.db2.gz HFGJEAHUZDZQHM-LLVKDONJSA-N 0 0 382.829 2.607 20 5 GFBDRN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000367248911 563837709 /nfs/dbraw/zinc/83/77/09/563837709.db2.gz PYCRHBTVNVBGEG-CHWSQXEVSA-N 0 0 383.246 2.732 20 5 GFBDRN CO[C@H]([C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498636 563839469 /nfs/dbraw/zinc/83/94/69/563839469.db2.gz XYSMMIQEXJCSBS-AMIZOPFISA-N 0 0 382.360 2.705 20 5 GFBDRN COCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416521964 563842872 /nfs/dbraw/zinc/84/28/72/563842872.db2.gz IGEHCXKAQSEEOH-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000367642891 563851174 /nfs/dbraw/zinc/85/11/74/563851174.db2.gz JRBBODHCLBLCLI-WQZURDFPSA-N 0 0 395.253 2.782 20 5 GFBDRN COC1([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000416620094 563854456 /nfs/dbraw/zinc/85/44/56/563854456.db2.gz RFLAFLVSWDZEHK-VIFPVBQESA-N 0 0 393.259 2.593 20 5 GFBDRN COC(=O)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445986884 563856328 /nfs/dbraw/zinc/85/63/28/563856328.db2.gz ZKTPCIHTLPWWMI-UHFFFAOYSA-N 0 0 399.241 2.702 20 5 GFBDRN Cc1ncccc1OC[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416670617 563859982 /nfs/dbraw/zinc/85/99/82/563859982.db2.gz LWCCMPYCSSQPIW-LBPRGKRZSA-N 0 0 383.451 2.592 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000447926384 563890617 /nfs/dbraw/zinc/89/06/17/563890617.db2.gz AVLDQRIWWHTGET-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000538041567 564180549 /nfs/dbraw/zinc/18/05/49/564180549.db2.gz NNRQNWBLMKRPDJ-OTYXRUKQSA-N 0 0 397.229 2.597 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449528253 564190123 /nfs/dbraw/zinc/19/01/23/564190123.db2.gz OECTZGAIRFEUOR-CYBMUJFWSA-N 0 0 378.397 2.595 20 5 GFBDRN O=C(NCc1nc(CO)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505868924 564191574 /nfs/dbraw/zinc/19/15/74/564191574.db2.gz JXGSACJTRFCCHL-UHFFFAOYSA-N 0 0 376.419 2.597 20 5 GFBDRN CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000471882958 564206155 /nfs/dbraw/zinc/20/61/55/564206155.db2.gz CSWMAIOEIHZNPX-JTQLQIEISA-N 0 0 378.472 2.691 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000563891961 564211812 /nfs/dbraw/zinc/21/18/12/564211812.db2.gz ANSQDUDXWCQWJF-UHFFFAOYSA-N 0 0 380.809 2.855 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)NCc2ccsc2)cc([N+](=O)[O-])c1C ZINC000564080653 564219555 /nfs/dbraw/zinc/21/95/55/564219555.db2.gz NOFFFBPGUCOFDO-UHFFFAOYSA-N 0 0 384.435 2.620 20 5 GFBDRN Cn1ncc(Br)c1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450186304 564220827 /nfs/dbraw/zinc/22/08/27/564220827.db2.gz VXMAUTUFOOABKG-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN CS(=O)(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000472744563 564233062 /nfs/dbraw/zinc/23/30/62/564233062.db2.gz CALUWQABOKMBOY-UHFFFAOYSA-N 0 0 384.797 2.669 20 5 GFBDRN Cc1ccsc1[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000539989607 564236191 /nfs/dbraw/zinc/23/61/91/564236191.db2.gz TWRHTDFETVMOOO-CYBMUJFWSA-N 0 0 382.463 2.513 20 5 GFBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)c(Br)c1 ZINC000507717890 564241262 /nfs/dbraw/zinc/24/12/62/564241262.db2.gz INDYOSUKPVPVGQ-SSDOTTSWSA-N 0 0 383.177 2.965 20 5 GFBDRN COC(=O)c1cnc(NCc2nc(C)c(Br)s2)c([N+](=O)[O-])c1 ZINC000450621306 564242177 /nfs/dbraw/zinc/24/21/77/564242177.db2.gz ZWFMAOYXWKQCSQ-UHFFFAOYSA-N 0 0 387.215 2.916 20 5 GFBDRN COC(=O)c1csc(S(=O)(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000540213990 564242845 /nfs/dbraw/zinc/24/28/45/564242845.db2.gz SATRADVYRPGHIW-UHFFFAOYSA-N 0 0 382.419 2.503 20 5 GFBDRN CO[C@@H]1COCC[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450691114 564244334 /nfs/dbraw/zinc/24/43/34/564244334.db2.gz IAALZJLKAADKAX-ZUZCIYMTSA-N 0 0 396.241 2.791 20 5 GFBDRN COC(=O)c1cc(NCc2nn(C)cc2Br)cc(C)c1[N+](=O)[O-] ZINC000450724563 564245662 /nfs/dbraw/zinc/24/56/62/564245662.db2.gz GNZYLVQXSOWUPC-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN Cc1ccc(Br)cc1-c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000508652872 564269497 /nfs/dbraw/zinc/26/94/97/564269497.db2.gz QQJXGAQSLACJCN-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(=O)Nc2cnccc21 ZINC000541262041 564271590 /nfs/dbraw/zinc/27/15/90/564271590.db2.gz RQROBPUWAGPDHX-UHFFFAOYSA-N 0 0 378.797 2.721 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N(CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000541289971 564273502 /nfs/dbraw/zinc/27/35/02/564273502.db2.gz CZOKDCZBWNLFPL-UHFFFAOYSA-N 0 0 388.262 2.720 20 5 GFBDRN CCOC(=O)C[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000541312265 564273881 /nfs/dbraw/zinc/27/38/81/564273881.db2.gz JANUJTFODRTQFS-QMMMGPOBSA-N 0 0 399.252 2.864 20 5 GFBDRN O=C1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CN1c1ccc(F)cc1 ZINC000541579164 564283999 /nfs/dbraw/zinc/28/39/99/564283999.db2.gz YGRLTYQXSGICEK-LLVKDONJSA-N 0 0 381.161 2.719 20 5 GFBDRN O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474920685 564293076 /nfs/dbraw/zinc/29/30/76/564293076.db2.gz FXNNDUITHMUZDO-ZDUSSCGKSA-N 0 0 379.210 2.691 20 5 GFBDRN O=C(Nc1ccncc1Br)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000541883004 564293450 /nfs/dbraw/zinc/29/34/50/564293450.db2.gz BNMHWIOVFGJTDP-UHFFFAOYSA-N 0 0 377.198 2.764 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCN1CCCCC1=O ZINC000542216659 564304718 /nfs/dbraw/zinc/30/47/18/564304718.db2.gz XXQXFLJIMRAOMY-UHFFFAOYSA-N 0 0 385.873 2.859 20 5 GFBDRN CC(C)(C)n1cnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000542247944 564307042 /nfs/dbraw/zinc/30/70/42/564307042.db2.gz MSZBMIUFJCJLNY-UHFFFAOYSA-N 0 0 382.218 2.885 20 5 GFBDRN Cc1c(Br)c(NCCC(=O)Nc2ccccc2)ncc1[N+](=O)[O-] ZINC000542508236 564316236 /nfs/dbraw/zinc/31/62/36/564316236.db2.gz YJZZLWWZNQNZJC-UHFFFAOYSA-N 0 0 379.214 2.923 20 5 GFBDRN COc1c(C(=O)N(C)Cc2cc(Br)cn2C)cccc1[N+](=O)[O-] ZINC000476329070 564334939 /nfs/dbraw/zinc/33/49/39/564334939.db2.gz GQIIGZATONWQCL-UHFFFAOYSA-N 0 0 382.214 2.977 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000543118591 564338606 /nfs/dbraw/zinc/33/86/06/564338606.db2.gz ZQWWKGLXIAMSKA-UKRRQHHQSA-N 0 0 386.495 2.501 20 5 GFBDRN Cn1ccnc1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000451693506 564340808 /nfs/dbraw/zinc/34/08/08/564340808.db2.gz YIFPSXVBVLCKJW-ZDUSSCGKSA-N 0 0 384.845 2.754 20 5 GFBDRN Cc1c(Br)c(N2CCN(c3ccc(F)cn3)CC2)ncc1[N+](=O)[O-] ZINC000543437621 564350212 /nfs/dbraw/zinc/35/02/12/564350212.db2.gz ZXWAVHWJSRCFPC-UHFFFAOYSA-N 0 0 396.220 2.921 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000451775152 564350683 /nfs/dbraw/zinc/35/06/83/564350683.db2.gz CQHWYLBPFOZFFP-ZJUUUORDSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000451812447 564354241 /nfs/dbraw/zinc/35/42/41/564354241.db2.gz HBHHPUIHPISIBB-UHFFFAOYSA-N 0 0 380.825 2.601 20 5 GFBDRN COCCO[C@@H]1C[C@H](CO)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000567119249 564358142 /nfs/dbraw/zinc/35/81/42/564358142.db2.gz BMEDMLCFHCPZQK-CMPLNLGQSA-N 0 0 379.240 2.752 20 5 GFBDRN Cn1cc(Br)c(=O)c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1 ZINC000543688824 564359942 /nfs/dbraw/zinc/35/99/42/564359942.db2.gz MDLWZWVCNTUZHX-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCOc2cccc(F)c2C1 ZINC000511152927 564360753 /nfs/dbraw/zinc/36/07/53/564360753.db2.gz UKWGPPBEWUKTDS-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN COc1ccccc1OCCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000544076071 564373536 /nfs/dbraw/zinc/37/35/36/564373536.db2.gz RZMYVJFJOVJUJH-UHFFFAOYSA-N 0 0 383.198 2.915 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000544673152 564393348 /nfs/dbraw/zinc/39/33/48/564393348.db2.gz VRGFTBGJUIDHST-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3c(F)ccc(Br)c3C2)c1[N+](=O)[O-] ZINC000452193728 564399349 /nfs/dbraw/zinc/39/93/49/564399349.db2.gz NWIOEIKVWXHPGT-UHFFFAOYSA-N 0 0 397.204 2.980 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(CCc3ccccc3Br)no2)c1 ZINC000545030442 564407080 /nfs/dbraw/zinc/40/70/80/564407080.db2.gz FIFHXCMDCCQPLW-UHFFFAOYSA-N 0 0 392.213 2.965 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000478900107 564418269 /nfs/dbraw/zinc/41/82/69/564418269.db2.gz TUHSAIRMGLBQPZ-KOLCDFICSA-N 0 0 382.360 2.955 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000568539198 564423339 /nfs/dbraw/zinc/42/33/39/564423339.db2.gz WKFBLMQBBGRMQA-UHFFFAOYSA-N 0 0 379.291 2.973 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccsc3s2)cc1[N+](=O)[O-] ZINC000513471560 564430222 /nfs/dbraw/zinc/43/02/22/564430222.db2.gz OILDRSJNAMIRFT-UHFFFAOYSA-N 0 0 383.432 2.922 20 5 GFBDRN CNc1ccc(-c2nc(Cn3cc(Br)cn3)no2)cc1[N+](=O)[O-] ZINC000545739590 564431804 /nfs/dbraw/zinc/43/18/04/564431804.db2.gz YKBQWBQCKVWOJW-UHFFFAOYSA-N 0 0 379.174 2.694 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452846821 564434319 /nfs/dbraw/zinc/43/43/19/564434319.db2.gz MPJLVJYBZXEHMK-NSHDSACASA-N 0 0 379.214 2.721 20 5 GFBDRN CNc1c(C(=O)N=c2cc3ccc(Br)cn3[nH]2)cccc1[N+](=O)[O-] ZINC000513759813 564437630 /nfs/dbraw/zinc/43/76/30/564437630.db2.gz DONANPFZPPICEN-UHFFFAOYSA-N 0 0 390.197 2.721 20 5 GFBDRN Cc1sc(S(=O)(=O)NC2CC(OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545934387 564438700 /nfs/dbraw/zinc/43/87/00/564438700.db2.gz VWVZSYDRCAMKQE-UHFFFAOYSA-N 0 0 382.463 2.991 20 5 GFBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513838778 564440296 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CCN(Cc1cccc(Br)c1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000569739420 564477062 /nfs/dbraw/zinc/47/70/62/564477062.db2.gz MCCXGMDYWXQFIM-UHFFFAOYSA-N 0 0 393.241 2.878 20 5 GFBDRN CCc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000515378970 564477662 /nfs/dbraw/zinc/47/76/62/564477662.db2.gz BYHGTFFQKUERLY-HNNXBMFYSA-N 0 0 383.495 2.800 20 5 GFBDRN CCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000515378971 564477785 /nfs/dbraw/zinc/47/77/85/564477785.db2.gz BYHGTFFQKUERLY-OAHLLOKOSA-N 0 0 383.495 2.800 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCc1nc(Cn2cc(Br)cn2)no1 ZINC000547175102 564479453 /nfs/dbraw/zinc/47/94/53/564479453.db2.gz IJUTUEQSYVYMDP-UHFFFAOYSA-N 0 0 393.201 2.640 20 5 GFBDRN COc1cccc(Cl)c1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000480706388 564483251 /nfs/dbraw/zinc/48/32/51/564483251.db2.gz GAVGFEXNDZWIDS-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1ccc(I)cc1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000480954511 564497537 /nfs/dbraw/zinc/49/75/37/564497537.db2.gz 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NC(=O)c1ccccc1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560130861 564950641 /nfs/dbraw/zinc/95/06/41/564950641.db2.gz VFVFVRMSHVHVOS-UHFFFAOYSA-N 0 0 378.182 2.637 20 5 GFBDRN C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122120 564954934 /nfs/dbraw/zinc/95/49/34/564954934.db2.gz IDAMJNDLYOKFPT-SNVBAGLBSA-N 0 0 378.435 2.509 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000467079260 564955431 /nfs/dbraw/zinc/95/54/31/564955431.db2.gz MGRXPYOXCTWJIZ-UHFFFAOYSA-N 0 0 376.485 2.592 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467264349 564959918 /nfs/dbraw/zinc/95/99/18/564959918.db2.gz MLHXWLONBQZKQQ-AWEZNQCLSA-N 0 0 381.479 2.518 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H](C)COc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467405110 564962771 /nfs/dbraw/zinc/96/27/71/564962771.db2.gz DVCHEOLJQMJGIT-QMMMGPOBSA-N 0 0 392.405 2.989 20 5 GFBDRN NC(=O)[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000501073277 564969242 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565050585 /nfs/dbraw/zinc/05/05/85/565050585.db2.gz PSUZIPZOPLOTHM-QMMMGPOBSA-N 0 0 399.252 2.862 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470633829 565051942 /nfs/dbraw/zinc/05/19/42/565051942.db2.gz FLJZBMQIDOZAEO-UHFFFAOYSA-N 0 0 382.764 2.741 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000584339917 565076774 /nfs/dbraw/zinc/07/67/74/565076774.db2.gz KTQBBTGETGUHMO-UHFFFAOYSA-N 0 0 390.458 2.793 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000614573241 565120486 /nfs/dbraw/zinc/12/04/86/565120486.db2.gz RAZWLALMDZVFEO-SKDRFNHKSA-N 0 0 375.244 2.920 20 5 GFBDRN CN(Cc1cc(Br)ccc1F)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589567987 565167072 /nfs/dbraw/zinc/16/70/72/565167072.db2.gz DOPDKTWRYXOFGO-UHFFFAOYSA-N 0 0 383.177 2.627 20 5 GFBDRN COCC(=O)N1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000616055162 565187373 /nfs/dbraw/zinc/18/73/73/565187373.db2.gz SQTGOTZMABDPHZ-UHFFFAOYSA-N 0 0 386.246 2.715 20 5 GFBDRN O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000590435588 565188079 /nfs/dbraw/zinc/18/80/79/565188079.db2.gz ZLEBHJLJMPYFBM-CABZTGNLSA-N 0 0 397.147 2.933 20 5 GFBDRN O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000590430735 565188229 /nfs/dbraw/zinc/18/82/29/565188229.db2.gz MPCLTTWOTUFVEO-JVXZTZIISA-N 0 0 397.147 2.933 20 5 GFBDRN CC(C)(NC(=O)CCn1cc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000590454984 565189647 /nfs/dbraw/zinc/18/96/47/565189647.db2.gz DQJWHKFDSVDPOZ-UHFFFAOYSA-N 0 0 381.230 2.995 20 5 GFBDRN O=C(Nc1ccc(-n2cncn2)cn1)c1ccc([N+](=O)[O-])cc1Br ZINC000616634724 565205357 /nfs/dbraw/zinc/20/53/57/565205357.db2.gz UYJGVWOEOZOQPM-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000591331051 565225349 /nfs/dbraw/zinc/22/53/49/565225349.db2.gz ISNGONNAZYQIPU-PELKAZGASA-N 0 0 381.237 2.701 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CCC[C@@H](OC(F)F)C1 ZINC000591366470 565227414 /nfs/dbraw/zinc/22/74/14/565227414.db2.gz HALFYKXEGCYXKM-SSDOTTSWSA-N 0 0 399.135 2.802 20 5 GFBDRN CCC1(CC)CN(c2c(Br)cncc2[N+](=O)[O-])CCS1(=O)=O ZINC000591823318 565240938 /nfs/dbraw/zinc/24/09/38/565240938.db2.gz JREOPCQOPGGMIN-UHFFFAOYSA-N 0 0 392.275 2.546 20 5 GFBDRN CCc1nn(C)c(NCc2cc(OC)c(O)cc2Br)c1[N+](=O)[O-] ZINC000591999428 565246313 /nfs/dbraw/zinc/24/63/13/565246313.db2.gz PSQCHUJMXXYNME-UHFFFAOYSA-N 0 0 385.218 2.980 20 5 GFBDRN COc1ccc(Br)cc1C1(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000592825038 565299928 /nfs/dbraw/zinc/29/99/28/565299928.db2.gz ZKLOPPALBLNKFD-UHFFFAOYSA-N 0 0 381.186 2.508 20 5 GFBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)CC[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000618701632 565311950 /nfs/dbraw/zinc/31/19/50/565311950.db2.gz KPHMCNJWFNQMBO-CYBMUJFWSA-N 0 0 382.360 2.602 20 5 GFBDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCCn1cc(Br)cn1 ZINC000593144985 565316242 /nfs/dbraw/zinc/31/62/42/565316242.db2.gz KHUJAFWWJQDBMA-UHFFFAOYSA-N 0 0 399.220 2.832 20 5 GFBDRN CCc1nc(S(=O)(=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])sc1C ZINC000593209540 565320583 /nfs/dbraw/zinc/32/05/83/565320583.db2.gz BEGFFDPGMXEQMN-UHFFFAOYSA-N 0 0 383.451 2.725 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(CSC)c1 ZINC000619498681 565345035 /nfs/dbraw/zinc/34/50/35/565345035.db2.gz CTCWTORSMQKLBK-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN CC(=O)NC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000619540879 565347965 /nfs/dbraw/zinc/34/79/65/565347965.db2.gz CMCMVQPWCXDUCE-UHFFFAOYSA-N 0 0 399.245 2.798 20 5 GFBDRN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)ccc1I ZINC000619600405 565351658 /nfs/dbraw/zinc/35/16/58/565351658.db2.gz UVZIESFIYVRMGU-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(F)C1 ZINC000619777298 565358834 /nfs/dbraw/zinc/35/88/34/565358834.db2.gz JXWDEYDKDVEDDT-UHFFFAOYSA-N 0 0 378.141 2.692 20 5 GFBDRN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCS3(=O)=O)n2)cc1[N+](=O)[O-] ZINC000593956043 565370894 /nfs/dbraw/zinc/37/08/94/565370894.db2.gz XJZQCCAYWBUDHJ-ZDUSSCGKSA-N 0 0 381.435 2.542 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCCC[C@@H]2CO)c1 ZINC000594016807 565372138 /nfs/dbraw/zinc/37/21/38/565372138.db2.gz IQJNVKMYMVDGRP-CYBMUJFWSA-N 0 0 390.221 2.936 20 5 GFBDRN CCN(c1cnn(C)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594465689 565390394 /nfs/dbraw/zinc/39/03/94/565390394.db2.gz FFDQRNSPZSRFKG-UHFFFAOYSA-N 0 0 379.225 2.850 20 5 GFBDRN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000594476475 565392974 /nfs/dbraw/zinc/39/29/74/565392974.db2.gz COMHEFILSPZARH-SECBINFHSA-N 0 0 378.834 2.504 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488674 565396190 /nfs/dbraw/zinc/39/61/90/565396190.db2.gz UDRXNRCHFSXPRR-GXFFZTMASA-N 0 0 382.360 2.682 20 5 GFBDRN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000594779571 565420893 /nfs/dbraw/zinc/42/08/93/565420893.db2.gz KBNAZKFIWLMYTA-JTQLQIEISA-N 0 0 382.360 2.576 20 5 GFBDRN C[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957719 565438174 /nfs/dbraw/zinc/43/81/74/565438174.db2.gz ULFCNGGMAWERMJ-QPUJVOFHSA-N 0 0 399.192 2.587 20 5 GFBDRN CC1(C)[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1(F)F ZINC000595351316 565467622 /nfs/dbraw/zinc/46/76/22/565467622.db2.gz RENCHYCTXMOOQG-JTQLQIEISA-N 0 0 399.213 2.927 20 5 GFBDRN C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383033 565471761 /nfs/dbraw/zinc/47/17/61/565471761.db2.gz YAYWQKYTLOSXAZ-XHDPSFHLSA-N 0 0 384.841 2.691 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595394795 565472265 /nfs/dbraw/zinc/47/22/65/565472265.db2.gz IQMLIJKWXBJDGE-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN Cc1sc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595397755 565473708 /nfs/dbraw/zinc/47/37/08/565473708.db2.gz XTDOVSYESWMXME-APPZFPTMSA-N 0 0 388.389 2.695 20 5 GFBDRN CN(CC1=CCSC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595397593 565473778 /nfs/dbraw/zinc/47/37/78/565473778.db2.gz KZVAYUAXMDIQQT-UHFFFAOYSA-N 0 0 393.284 2.651 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595414922 565475911 /nfs/dbraw/zinc/47/59/11/565475911.db2.gz IHFGWMNJBUYVAU-MEBBXXQBSA-N 0 0 378.397 2.590 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595414923 565476152 /nfs/dbraw/zinc/47/61/52/565476152.db2.gz IHFGWMNJBUYVAU-ZUZCIYMTSA-N 0 0 378.397 2.590 20 5 GFBDRN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2cc(Br)ccc21 ZINC000595766354 565491565 /nfs/dbraw/zinc/49/15/65/565491565.db2.gz TVVRFGMJZZFEON-ZDUSSCGKSA-N 0 0 395.257 2.713 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000595921943 565498610 /nfs/dbraw/zinc/49/86/10/565498610.db2.gz ZMJHQPRVFUDVAS-PSLIRLAXSA-N 0 0 377.775 2.931 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000596467823 565525215 /nfs/dbraw/zinc/52/52/15/565525215.db2.gz UYTTWHVNLKOMPU-UHFFFAOYSA-N 0 0 393.241 2.658 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1cc([C@H]2CCCO2)[nH][nH]1 ZINC000597841224 565577488 /nfs/dbraw/zinc/57/74/88/565577488.db2.gz FCZUIKOCULDRJA-GFCCVEGCSA-N 0 0 382.829 2.976 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000597886711 565579306 /nfs/dbraw/zinc/57/93/06/565579306.db2.gz UZSZUYIVDQPVLO-UHFFFAOYSA-N 0 0 386.495 2.652 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000598193509 565600902 /nfs/dbraw/zinc/60/09/02/565600902.db2.gz AUJSEMGTNUOXLS-NSHDSACASA-N 0 0 397.254 2.809 20 5 GFBDRN O=C(N=c1ccn(C2CCOCC2)[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598237799 565604497 /nfs/dbraw/zinc/60/44/97/565604497.db2.gz ZYOHMRGPWKMECI-UHFFFAOYSA-N 0 0 395.213 2.580 20 5 GFBDRN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598438457 565618255 /nfs/dbraw/zinc/61/82/55/565618255.db2.gz XBKBBCGNEUQNSO-NSHDSACASA-N 0 0 398.257 2.734 20 5 GFBDRN Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c(C)c1[N+](=O)[O-] ZINC000598711896 565637316 /nfs/dbraw/zinc/63/73/16/565637316.db2.gz HKHCYWQGSDFQOE-DEOSSOPVSA-N 0 0 382.463 2.891 20 5 GFBDRN CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccc(Br)cc2O1 ZINC000598894411 565649245 /nfs/dbraw/zinc/64/92/45/565649245.db2.gz XFKPXCOXPZCHQF-UHFFFAOYSA-N 0 0 395.213 2.758 20 5 GFBDRN C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599117671 565656975 /nfs/dbraw/zinc/65/69/75/565656975.db2.gz LZPYONADOYBXMC-QWRGUYRKSA-N 0 0 377.413 2.573 20 5 GFBDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599249177 565664806 /nfs/dbraw/zinc/66/48/06/565664806.db2.gz SXHMWYQTFDEUFF-QWRGUYRKSA-N 0 0 386.861 2.794 20 5 GFBDRN CCC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OCC ZINC000599367992 565672949 /nfs/dbraw/zinc/67/29/49/565672949.db2.gz QFFNCCYGOOBTTD-NSHDSACASA-N 0 0 395.275 2.841 20 5 GFBDRN CC(C)CC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599410373 565677395 /nfs/dbraw/zinc/67/73/95/565677395.db2.gz IXPUCEJAJLMIJL-JTQLQIEISA-N 0 0 384.376 2.689 20 5 GFBDRN COC(=O)C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000600104566 565714069 /nfs/dbraw/zinc/71/40/69/565714069.db2.gz WQLUYIOONHEEFQ-SNVBAGLBSA-N 0 0 385.214 2.676 20 5 GFBDRN O=C(NC[C@@H]1CCCN1CC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600256501 565719759 /nfs/dbraw/zinc/71/97/59/565719759.db2.gz SAHINILAOQGYNI-NSHDSACASA-N 0 0 392.200 2.817 20 5 GFBDRN CCC(F)(F)C(C)(C)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000600390601 565726651 /nfs/dbraw/zinc/72/66/51/565726651.db2.gz CRZNIKPOZVSYGM-UHFFFAOYSA-N 0 0 378.397 2.800 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CC(Cc3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000600759470 565747853 /nfs/dbraw/zinc/74/78/53/565747853.db2.gz ZJPSPRMYGBPMRJ-UHFFFAOYSA-N 0 0 379.214 2.704 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2cscc2Cl)CC1 ZINC000600997358 565762852 /nfs/dbraw/zinc/76/28/52/565762852.db2.gz XQHGAHQCWBNFBY-UHFFFAOYSA-N 0 0 385.854 2.969 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC(Cc2nccs2)CC1 ZINC000601496650 565787097 /nfs/dbraw/zinc/78/70/97/565787097.db2.gz HWOQETZHJDQHBD-UHFFFAOYSA-N 0 0 381.479 2.836 20 5 GFBDRN CC1(F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000601513135 565789152 /nfs/dbraw/zinc/78/91/52/565789152.db2.gz YTOYRGSHCPTHOQ-UHFFFAOYSA-N 0 0 381.223 2.870 20 5 GFBDRN Cc1nn(C)c(C(=O)N(C)Cc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000601701415 565798629 /nfs/dbraw/zinc/79/86/29/565798629.db2.gz NFBUFIQXRJTGRG-UHFFFAOYSA-N 0 0 385.193 2.811 20 5 GFBDRN Cn1ncc(Br)c1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601747164 565801870 /nfs/dbraw/zinc/80/18/70/565801870.db2.gz XLFZXRCQRYGZKG-UHFFFAOYSA-N 0 0 393.241 2.829 20 5 GFBDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602470220 565849635 /nfs/dbraw/zinc/84/96/35/565849635.db2.gz XQQZYEJIGJOVAA-HTQZYQBOSA-N 0 0 385.305 2.672 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCOC3(CCOCC3)C2)cc1Br ZINC000602484429 565851027 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COc1ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000760617945 655988289 /nfs/dbraw/zinc/98/82/89/655988289.db2.gz QAAYNBHBSNLBJO-UHFFFAOYSA-N 0 0 388.741 2.933 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1cncc(Br)c1 ZINC000761318136 656011064 /nfs/dbraw/zinc/01/10/64/656011064.db2.gz KGAPIZJGPXAKIZ-UHFFFAOYSA-N 0 0 397.181 2.997 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nnc(-c2cccc(F)c2)o1 ZINC000761847548 656022719 /nfs/dbraw/zinc/02/27/19/656022719.db2.gz AVGAFHQSYUJYTK-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN COC(=O)c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762074305 656030285 /nfs/dbraw/zinc/03/02/85/656030285.db2.gz OHYYTUYXUYJLKR-UHFFFAOYSA-N 0 0 381.138 2.758 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCSC[C@H]1C ZINC000762552633 656048640 /nfs/dbraw/zinc/04/86/40/656048640.db2.gz LFNMPCBSIZGCSW-LLVKDONJSA-N 0 0 384.479 2.828 20 5 GFBDRN CCOC(=O)[C@H](C)[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000763204854 656075628 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CCN1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000765736907 656149840 /nfs/dbraw/zinc/14/98/40/656149840.db2.gz CYBJROKCYSVMDX-VXGBXAGGSA-N 0 0 375.878 2.660 20 5 GFBDRN O=C(OC[C@@H]1CCCOC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000765922134 656154688 /nfs/dbraw/zinc/15/46/88/656154688.db2.gz AHNPLIVMTHQPNT-SECBINFHSA-N 0 0 391.161 2.783 20 5 GFBDRN CC[C@H](C)C(=O)COC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000766150915 656163006 /nfs/dbraw/zinc/16/30/06/656163006.db2.gz HLXXZDSNCPZUHB-QMMMGPOBSA-N 0 0 391.161 2.971 20 5 GFBDRN COC(=O)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)c1cc(Cl)cc(Cl)c1 ZINC000766661567 656178510 /nfs/dbraw/zinc/17/85/10/656178510.db2.gz LUWJXORHXKBBKF-LBPRGKRZSA-N 0 0 388.163 2.706 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000766670410 656178650 /nfs/dbraw/zinc/17/86/50/656178650.db2.gz QDVHBEQFHSRDRC-GFCCVEGCSA-N 0 0 385.467 2.729 20 5 GFBDRN Cc1nn2cc(S(=O)(=O)Oc3cccc(C)c3[N+](=O)[O-])cnc2c1Cl ZINC000766839213 656185793 /nfs/dbraw/zinc/18/57/93/656185793.db2.gz LABWYUKLOXDDFR-UHFFFAOYSA-N 0 0 382.785 2.675 20 5 GFBDRN O=C(c1ccco1)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768140112 656233042 /nfs/dbraw/zinc/23/30/42/656233042.db2.gz BLTZXUNAKNDLML-UHFFFAOYSA-N 0 0 394.225 2.908 20 5 GFBDRN CCOC(=O)[C@@H]1CSCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768230180 656235342 /nfs/dbraw/zinc/23/53/42/656235342.db2.gz SACVWFJNTICDAM-ZDUSSCGKSA-N 0 0 389.271 2.838 20 5 GFBDRN C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814358 656252546 /nfs/dbraw/zinc/25/25/46/656252546.db2.gz QVHQBQYUZANUGF-GXTWGEPZSA-N 0 0 381.479 2.770 20 5 GFBDRN COC(=O)C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768843958 656255496 /nfs/dbraw/zinc/25/54/96/656255496.db2.gz ZJSCRRJWRWWPIX-SNVBAGLBSA-N 0 0 382.419 2.512 20 5 GFBDRN NC(=O)[C@H]1c2ccccc2CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769190340 656266798 /nfs/dbraw/zinc/26/67/98/656266798.db2.gz SWIAKTPUZADPEV-MRXNPFEDSA-N 0 0 390.237 2.942 20 5 GFBDRN NC(=O)CN(Cc1ccccc1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769398676 656273837 /nfs/dbraw/zinc/27/38/37/656273837.db2.gz AJQGAAHORCCJPH-UHFFFAOYSA-N 0 0 378.226 2.845 20 5 GFBDRN O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000769837537 656294353 /nfs/dbraw/zinc/29/43/53/656294353.db2.gz BDQOIDXYYQQAOM-UHFFFAOYSA-N 0 0 398.144 2.687 20 5 GFBDRN O=C(O[C@@H]1Cc2ccccc2C1=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769837745 656294444 /nfs/dbraw/zinc/29/44/44/656294444.db2.gz SBPGJSXGJVHIJX-GFCCVEGCSA-N 0 0 377.150 2.717 20 5 GFBDRN CNC(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000769892308 656297353 /nfs/dbraw/zinc/29/73/53/656297353.db2.gz JTTYXAIGRQCPOI-UHFFFAOYSA-N 0 0 384.797 2.684 20 5 GFBDRN COC(=O)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000772052964 656371452 /nfs/dbraw/zinc/37/14/52/656371452.db2.gz VPOPNVNZCHQEMT-GFCCVEGCSA-N 0 0 388.163 2.706 20 5 GFBDRN O=C(CNC(=O)c1ccccc1)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773354292 656419490 /nfs/dbraw/zinc/41/94/90/656419490.db2.gz KJGBZKZTXABAEY-UHFFFAOYSA-N 0 0 393.193 2.831 20 5 GFBDRN O=C(CCCNC(=O)C1CC1)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773396982 656443617 /nfs/dbraw/zinc/44/36/17/656443617.db2.gz YTNVSFKLJBUQKZ-UHFFFAOYSA-N 0 0 385.214 2.707 20 5 GFBDRN CC(C)CC(=O)NCCC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773442568 656447632 /nfs/dbraw/zinc/44/76/32/656447632.db2.gz QGURBLGTUOEOOJ-UHFFFAOYSA-N 0 0 387.230 2.953 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000841494726 661274175 /nfs/dbraw/zinc/27/41/75/661274175.db2.gz GODHBHKNPNGJEY-OAHLLOKOSA-N 0 0 384.841 2.877 20 5 GFBDRN Cc1csc2ncc(C(=O)OCc3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n12 ZINC000776325222 656730092 /nfs/dbraw/zinc/73/00/92/656730092.db2.gz SFFHYJLLZHBQAE-UHFFFAOYSA-N 0 0 379.781 2.983 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000776406257 656738060 /nfs/dbraw/zinc/73/80/60/656738060.db2.gz WSCBNAOXKARIRU-TVQRCGJNSA-N 0 0 385.214 2.771 20 5 GFBDRN CC1(C)C[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000841528150 661291208 /nfs/dbraw/zinc/29/12/08/661291208.db2.gz REVSYBCGANARNZ-VIFPVBQESA-N 0 0 380.825 2.871 20 5 GFBDRN CSc1cccc(C(=O)NCCC2N=NC(=S)N2C2CC2)c1[N+](=O)[O-] ZINC000777138727 656812871 /nfs/dbraw/zinc/81/28/71/656812871.db2.gz ISKIVEOLHVKCMP-UHFFFAOYSA-N 0 0 379.467 2.504 20 5 GFBDRN CC(C)[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000778008071 656851876 /nfs/dbraw/zinc/85/18/76/656851876.db2.gz ASKPFPHLCKWCPJ-CYBMUJFWSA-N 0 0 382.360 2.750 20 5 GFBDRN C[C@@H](Sc1nnnn1C1CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000778334647 656875904 /nfs/dbraw/zinc/87/59/04/656875904.db2.gz QSVGRBXEFGKWFQ-MRVPVSSYSA-N 0 0 383.817 2.794 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2COC3(CCCC3)O2)c1 ZINC000779926359 656966065 /nfs/dbraw/zinc/96/60/65/656966065.db2.gz SZEUOLITMTWQMW-LLVKDONJSA-N 0 0 390.845 2.521 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=S)N=NC1C ZINC000780544280 657013292 /nfs/dbraw/zinc/01/32/92/657013292.db2.gz PAEFBEXWQQMULQ-UHFFFAOYSA-N 0 0 381.483 2.716 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1Oc1cc([N+](=O)[O-])ccc1I ZINC000780593946 657015615 /nfs/dbraw/zinc/01/56/15/657015615.db2.gz LPMTYVNMDDDEAN-UHFFFAOYSA-N 0 0 390.093 2.633 20 5 GFBDRN Nc1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000782061204 657098593 /nfs/dbraw/zinc/09/85/93/657098593.db2.gz NEHDJGWKHQKXRD-CQSZACIVSA-N 0 0 394.225 2.793 20 5 GFBDRN Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCCO ZINC000782261774 657121825 /nfs/dbraw/zinc/12/18/25/657121825.db2.gz RZILXBSYUJOXPB-UHFFFAOYSA-N 0 0 386.813 2.729 20 5 GFBDRN C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000783324690 657222132 /nfs/dbraw/zinc/22/21/32/657222132.db2.gz RLMIBLXTXBJCBT-SNVBAGLBSA-N 0 0 381.182 2.823 20 5 GFBDRN O=[N+]([O-])c1cnn(CCNC(=S)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000783749398 657259144 /nfs/dbraw/zinc/25/91/44/657259144.db2.gz SVCSHGRPJZEIBQ-UHFFFAOYSA-N 0 0 375.332 2.677 20 5 GFBDRN CCOC(=O)c1ccc(C(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)cc1 ZINC000783984001 657279457 /nfs/dbraw/zinc/27/94/57/657279457.db2.gz CPBHSJWBTYMVMG-UHFFFAOYSA-N 0 0 396.197 2.922 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC23CCC(CC2)C3)cc1Br ZINC000784417022 657307451 /nfs/dbraw/zinc/30/74/51/657307451.db2.gz GQLAYTJHHWEGDG-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)CCc1ccccc1 ZINC000784479455 657312573 /nfs/dbraw/zinc/31/25/73/657312573.db2.gz ZSZQVKPLTXSHTP-AWEZNQCLSA-N 0 0 384.841 2.520 20 5 GFBDRN COCCSCCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000784490523 657314108 /nfs/dbraw/zinc/31/41/08/657314108.db2.gz YLYTZRHMEHDTHA-UHFFFAOYSA-N 0 0 379.232 2.679 20 5 GFBDRN CS(=O)(=O)c1ccc(NC[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000784826556 657327429 /nfs/dbraw/zinc/32/74/29/657327429.db2.gz QXMSQSOCMYGALF-HNNXBMFYSA-N 0 0 388.804 2.936 20 5 GFBDRN O=Cc1ccc(OS(=O)(=O)c2cnccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000785466233 657365910 /nfs/dbraw/zinc/36/59/10/657365910.db2.gz MHJLFPGQJNQRDP-UHFFFAOYSA-N 0 0 376.268 2.589 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000785450670 657366082 /nfs/dbraw/zinc/36/60/82/657366082.db2.gz IZOIYVFRJVXZGZ-MRVPVSSYSA-N 0 0 390.234 2.741 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000785533651 657373236 /nfs/dbraw/zinc/37/32/36/657373236.db2.gz YQEBJESRIOQOFT-UFGOTCBOSA-N 0 0 376.862 2.727 20 5 GFBDRN O=C(CSCC(F)(F)F)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786471631 657432055 /nfs/dbraw/zinc/43/20/55/657432055.db2.gz WEDPDCMMZDNMKG-UHFFFAOYSA-N 0 0 377.300 2.984 20 5 GFBDRN CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CCC1 ZINC000788684050 657773651 /nfs/dbraw/zinc/77/36/51/657773651.db2.gz ZUULADZYXNQXBN-UHFFFAOYSA-N 0 0 389.455 2.684 20 5 GFBDRN CCC[C@@H](CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)OCC ZINC000788711691 657777711 /nfs/dbraw/zinc/77/77/11/657777711.db2.gz XQSVYFVXNNDCQS-NSHDSACASA-N 0 0 392.861 2.814 20 5 GFBDRN COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCc1ncc(Br)s1 ZINC000788995394 657806780 /nfs/dbraw/zinc/80/67/80/657806780.db2.gz YZULCXYHSFOAQR-UHFFFAOYSA-N 0 0 388.199 2.762 20 5 GFBDRN COCn1nc(C)c(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000790022639 657911997 /nfs/dbraw/zinc/91/19/97/657911997.db2.gz PJELXYQQJVWWBW-UHFFFAOYSA-N 0 0 389.817 2.742 20 5 GFBDRN CCc1[nH]nc(C(=O)OCc2cc3c(cc2Br)OCO3)c1[N+](=O)[O-] ZINC000790073938 657925416 /nfs/dbraw/zinc/92/54/16/657925416.db2.gz OLVOXMCJSVRBCQ-UHFFFAOYSA-N 0 0 398.169 2.729 20 5 GFBDRN O=c1[nH]c(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000790085866 657926553 /nfs/dbraw/zinc/92/65/53/657926553.db2.gz FTCROIRRZHSUBL-UHFFFAOYSA-N 0 0 397.356 2.705 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000790378432 657963122 /nfs/dbraw/zinc/96/31/22/657963122.db2.gz JGFKKMQLUWQCPY-WCQYABFASA-N 0 0 395.264 2.808 20 5 GFBDRN C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 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563535076 /nfs/dbraw/zinc/53/50/76/563535076.db2.gz CZUSRGIEKYBNRF-GHMZBOCLSA-N 0 0 379.463 2.700 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430313283 563540875 /nfs/dbraw/zinc/54/08/75/563540875.db2.gz FRLSVDZXWIRWMA-SECBINFHSA-N 0 0 384.230 2.863 20 5 GFBDRN Cc1c(NC(=O)C(=O)NCCc2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000430309084 563540971 /nfs/dbraw/zinc/54/09/71/563540971.db2.gz VMGQUEUBQXCXRZ-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000430307382 563541235 /nfs/dbraw/zinc/54/12/35/563541235.db2.gz VABJASRXRGARDT-PHIMTYICSA-N 0 0 396.241 2.863 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000430341454 563541600 /nfs/dbraw/zinc/54/16/00/563541600.db2.gz IDUFHBFIHAVKMH-WCBMZHEXSA-N 0 0 384.230 2.861 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430325160 563541625 /nfs/dbraw/zinc/54/16/25/563541625.db2.gz ROMHJXOJZSWZIT-NSHDSACASA-N 0 0 396.241 2.863 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000408083678 563543514 /nfs/dbraw/zinc/54/35/14/563543514.db2.gz YAZMPGYDYSGAAE-RKDXNWHRSA-N 0 0 389.271 2.647 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286036310 563546576 /nfs/dbraw/zinc/54/65/76/563546576.db2.gz BJRVWEISUOUNJM-GWCFXTLKSA-N 0 0 378.372 2.706 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[S@](C)=O ZINC000286179936 563551773 /nfs/dbraw/zinc/55/17/73/563551773.db2.gz UUPUZAFDDUQDIT-PPRQPISWSA-N 0 0 377.260 2.505 20 5 GFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000286227133 563552939 /nfs/dbraw/zinc/55/29/39/563552939.db2.gz DKMZWPXUZURAGD-LLVKDONJSA-N 0 0 398.135 2.684 20 5 GFBDRN COC(=O)CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431170134 563555593 /nfs/dbraw/zinc/55/55/93/563555593.db2.gz BFJLGUGWMDVBJR-UHFFFAOYSA-N 0 0 385.214 2.773 20 5 GFBDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431498320 563561520 /nfs/dbraw/zinc/56/15/20/563561520.db2.gz ZSNUYKZZGFGVHF-ZDUSSCGKSA-N 0 0 399.241 2.815 20 5 GFBDRN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1nncn1C ZINC000286560266 563565451 /nfs/dbraw/zinc/56/54/51/563565451.db2.gz VCZYIHLJQLCEQD-GFCCVEGCSA-N 0 0 382.218 2.613 20 5 GFBDRN C[C@H](CNc1ccc(I)cc1[N+](=O)[O-])c1nncn1C ZINC000286566617 563566177 /nfs/dbraw/zinc/56/61/77/563566177.db2.gz FTFCNJXHIGPAOF-MRVPVSSYSA-N 0 0 387.181 2.544 20 5 GFBDRN CN([C@@H]1CCSC1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000286640607 563568431 /nfs/dbraw/zinc/56/84/31/563568431.db2.gz ZWBBWFBQUQUEHX-SSDOTTSWSA-N 0 0 399.263 2.622 20 5 GFBDRN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)sc1C ZINC000332096954 563576401 /nfs/dbraw/zinc/57/64/01/563576401.db2.gz PVHIKHOBQQBEIY-UHFFFAOYSA-N 0 0 379.463 2.933 20 5 GFBDRN CS(=O)(=O)C1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000286867668 563578350 /nfs/dbraw/zinc/57/83/50/563578350.db2.gz HBIPXBZQISHQEQ-UHFFFAOYSA-N 0 0 375.834 2.727 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2cc(Br)ccn2)cc1[N+](=O)[O-] ZINC000432278064 563578465 /nfs/dbraw/zinc/57/84/65/563578465.db2.gz WSPKSNIQTYYLBW-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN CC(C)OC[C@H](CO)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000432584512 563587683 /nfs/dbraw/zinc/58/76/83/563587683.db2.gz PGFCVZYDWZEZRM-LBPRGKRZSA-N 0 0 376.862 2.585 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000332391530 563596940 /nfs/dbraw/zinc/59/69/40/563596940.db2.gz ZQZFEEWRPYBMBM-SWLSCSKDSA-N 0 0 388.873 2.810 20 5 GFBDRN O=C(CN1CC[C@@H](O)C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433300228 563609467 /nfs/dbraw/zinc/60/94/67/563609467.db2.gz SODYTRCIFFGZCH-CQSZACIVSA-N 0 0 398.257 2.675 20 5 GFBDRN CCC[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC ZINC000433443841 563612963 /nfs/dbraw/zinc/61/29/63/563612963.db2.gz ODJFDIJOTSICCD-JTQLQIEISA-N 0 0 378.834 2.506 20 5 GFBDRN CCOC(=O)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000433462862 563613090 /nfs/dbraw/zinc/61/30/90/563613090.db2.gz MIAVXLMZMKCSDW-UHFFFAOYSA-N 0 0 376.456 2.509 20 5 GFBDRN CCOC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000433762760 563620115 /nfs/dbraw/zinc/62/01/15/563620115.db2.gz ALWHRUSEBHVXQI-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000288062561 563627629 /nfs/dbraw/zinc/62/76/29/563627629.db2.gz GBKVPXLEONCVNF-LLVKDONJSA-N 0 0 382.218 2.521 20 5 GFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4ccc([N+](=O)[O-])cc4Br)[C@H]1[C@H]3C2 ZINC000288390636 563640862 /nfs/dbraw/zinc/64/08/62/563640862.db2.gz KTDSUBTUGPEXSH-FGBYBXMZSA-N 0 0 381.226 2.853 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1CC(F)F ZINC000288488594 563644561 /nfs/dbraw/zinc/64/45/61/563644561.db2.gz SAQACGZQCDBEOC-GFCCVEGCSA-N 0 0 377.775 2.856 20 5 GFBDRN CO[C@]1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCOC1 ZINC000435322938 563647430 /nfs/dbraw/zinc/64/74/30/563647430.db2.gz IIMLGIWWSVUXKY-AWEZNQCLSA-N 0 0 388.218 2.593 20 5 GFBDRN CO[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000435324919 563648006 /nfs/dbraw/zinc/64/80/06/563648006.db2.gz XSVHEFIUSRULCT-STQMWFEESA-N 0 0 388.218 2.543 20 5 GFBDRN COCC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000412466335 563658922 /nfs/dbraw/zinc/65/89/22/563658922.db2.gz DKABIBPNYQPABF-SECBINFHSA-N 0 0 392.193 2.602 20 5 GFBDRN CCN(c1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000435899170 563660190 /nfs/dbraw/zinc/66/01/90/563660190.db2.gz XNPBMXKVNLSAAO-UHFFFAOYSA-N 0 0 386.227 2.968 20 5 GFBDRN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc2cc(Cl)ccc2s1 ZINC000435967546 563661362 /nfs/dbraw/zinc/66/13/62/563661362.db2.gz OHTCWDJWKPEERI-UHFFFAOYSA-N 0 0 378.797 2.683 20 5 GFBDRN COc1cccc(-c2nc(Cn3cc(Br)cn3)no2)c1[N+](=O)[O-] ZINC000350220022 563669600 /nfs/dbraw/zinc/66/96/00/563669600.db2.gz VLEAXYRVLZOVMR-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN Cc1nn(CC(=O)Nc2c(F)cc(F)cc2Br)cc1[N+](=O)[O-] ZINC000436472873 563670979 /nfs/dbraw/zinc/67/09/79/563670979.db2.gz BHBCMOWVMGXHFY-UHFFFAOYSA-N 0 0 375.129 2.779 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N(CCO)C1CCOCC1 ZINC000436463585 563671164 /nfs/dbraw/zinc/67/11/64/563671164.db2.gz KEFPWQIUDFTYDL-UHFFFAOYSA-N 0 0 396.241 2.883 20 5 GFBDRN NC(=O)CCCCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000350411408 563671650 /nfs/dbraw/zinc/67/16/50/563671650.db2.gz WXFYOQPIYNSEES-UHFFFAOYSA-N 0 0 383.202 2.529 20 5 GFBDRN Cc1c(Br)c(=O)n(CCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000412996977 563678514 /nfs/dbraw/zinc/67/85/14/563678514.db2.gz GLZGPRHFBMEOKY-GFCCVEGCSA-N 0 0 375.219 2.761 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(CS(=O)(=O)C2CC2)no1 ZINC000350983087 563679880 /nfs/dbraw/zinc/67/98/80/563679880.db2.gz DJKKVQAXQYNGOL-QMMMGPOBSA-N 0 0 387.801 2.848 20 5 GFBDRN CCC[C@@]1(CO)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289736919 563685274 /nfs/dbraw/zinc/68/52/74/563685274.db2.gz FOGLJBHTNHIQTQ-CQSZACIVSA-N 0 0 380.825 2.561 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289782006 563686757 /nfs/dbraw/zinc/68/67/57/563686757.db2.gz HENLBCYMXROKBP-LLVKDONJSA-N 0 0 391.236 2.734 20 5 GFBDRN O=C(NCC1(O)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000361018174 563696056 /nfs/dbraw/zinc/69/60/56/563696056.db2.gz KUVRCGJLGMLJTN-UHFFFAOYSA-N 0 0 391.221 2.617 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC(C)(C)S(C)(=O)=O ZINC000413516742 563696196 /nfs/dbraw/zinc/69/61/96/563696196.db2.gz GEXJFBIJQDTPKF-UHFFFAOYSA-N 0 0 378.834 2.660 20 5 GFBDRN O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290139791 563699342 /nfs/dbraw/zinc/69/93/42/563699342.db2.gz BMDQKBMVPHJPOL-JTQLQIEISA-N 0 0 382.214 2.768 20 5 GFBDRN Cc1ncsc1C(=O)N1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000361812811 563701220 /nfs/dbraw/zinc/70/12/20/563701220.db2.gz JEFZBRXWDVYROV-UHFFFAOYSA-N 0 0 381.845 2.761 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000361945321 563702018 /nfs/dbraw/zinc/70/20/18/563702018.db2.gz QLAJYQWRTJMYKJ-UHFFFAOYSA-N 0 0 384.845 2.848 20 5 GFBDRN COCc1nc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cs1 ZINC000290270330 563703327 /nfs/dbraw/zinc/70/33/27/563703327.db2.gz BXHFTBKCDMCYJV-UHFFFAOYSA-N 0 0 392.256 2.952 20 5 GFBDRN Cc1nnc(CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000290558773 563714154 /nfs/dbraw/zinc/71/41/54/563714154.db2.gz YYCIFEGSZUNMCM-UHFFFAOYSA-N 0 0 386.231 2.881 20 5 GFBDRN CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290634089 563716322 /nfs/dbraw/zinc/71/63/22/563716322.db2.gz CWBGHKGVPHLFAM-PRHODGIISA-N 0 0 383.253 2.683 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000290692090 563718404 /nfs/dbraw/zinc/71/84/04/563718404.db2.gz HWCREKPTGBXQQZ-VIFPVBQESA-N 0 0 378.809 2.767 20 5 GFBDRN CCc1cccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000414148782 563720910 /nfs/dbraw/zinc/72/09/10/563720910.db2.gz SDNCDKOEYJJJPJ-CYBMUJFWSA-N 0 0 397.225 2.521 20 5 GFBDRN O=[N+]([O-])c1nn(Cc2nc(CCc3ccccc3)no2)cc1Br ZINC000439278366 563721057 /nfs/dbraw/zinc/72/10/57/563721057.db2.gz WLAKNISWEPOLGN-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1OCC[NH+](C)C ZINC000414385678 563732251 /nfs/dbraw/zinc/73/22/51/563732251.db2.gz FSZQPLPUPCLQIV-UHFFFAOYSA-N 0 0 385.467 2.706 20 5 GFBDRN Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363942596 563737879 /nfs/dbraw/zinc/73/78/79/563737879.db2.gz VLHAPZNHZVPVCF-ZDUSSCGKSA-N 0 0 384.845 2.816 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000291346077 563739500 /nfs/dbraw/zinc/73/95/00/563739500.db2.gz VTUDWACDTQNXNC-AULYBMBSSA-N 0 0 379.214 2.616 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000440669362 563746707 /nfs/dbraw/zinc/74/67/07/563746707.db2.gz FGKADFAROCVNAA-UHFFFAOYSA-N 0 0 391.783 2.917 20 5 GFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291617068 563749926 /nfs/dbraw/zinc/74/99/26/563749926.db2.gz CPKDMKPEUJCOAS-NXEZZACHSA-N 0 0 377.775 2.525 20 5 GFBDRN C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440834588 563751076 /nfs/dbraw/zinc/75/10/76/563751076.db2.gz ALMZWDIWHHGEDY-ZDUSSCGKSA-N 0 0 382.269 2.570 20 5 GFBDRN Cc1cc(COC(=O)c2cc3c(s2)CCS(=O)(=O)C3)ccc1[N+](=O)[O-] ZINC000364709380 563761835 /nfs/dbraw/zinc/76/18/35/563761835.db2.gz UVHIVZUUEOMQMY-UHFFFAOYSA-N 0 0 381.431 2.793 20 5 GFBDRN O=C(CN1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642832 563762745 /nfs/dbraw/zinc/76/27/45/563762745.db2.gz COAXVRRMOHNTDF-VXGBXAGGSA-N 0 0 398.257 2.654 20 5 GFBDRN CC[NH+](CC)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000441811183 563764210 /nfs/dbraw/zinc/76/42/10/563764210.db2.gz MAKVNWBXHGVSFA-UHFFFAOYSA-N 0 0 384.285 2.912 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(C)sc32)cc1[N+](=O)[O-] ZINC000365015914 563771386 /nfs/dbraw/zinc/77/13/86/563771386.db2.gz RWVQSFXFFRCGLK-GFCCVEGCSA-N 0 0 383.451 2.724 20 5 GFBDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000292160398 563776697 /nfs/dbraw/zinc/77/66/97/563776697.db2.gz FHJLHBUKKXKYKS-UHFFFAOYSA-N 0 0 377.710 2.830 20 5 GFBDRN Cc1ccn(C2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000365544951 563786752 /nfs/dbraw/zinc/78/67/52/563786752.db2.gz AAGFCYGIJDQADT-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)CCC2CCOCC2)c(Br)c1 ZINC000292484147 563788544 /nfs/dbraw/zinc/78/85/44/563788544.db2.gz QVKDXYVPXCZAPP-UHFFFAOYSA-N 0 0 394.243 2.883 20 5 GFBDRN CC(C)c1ncc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000443078423 563790273 /nfs/dbraw/zinc/79/02/73/563790273.db2.gz GYWOZAJGMNCDGP-UHFFFAOYSA-N 0 0 384.845 2.982 20 5 GFBDRN CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000292659143 563792954 /nfs/dbraw/zinc/79/29/54/563792954.db2.gz VEQZDWCONUASOU-BDAKNGLRSA-N 0 0 392.193 2.661 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292741994 563794412 /nfs/dbraw/zinc/79/44/12/563794412.db2.gz HJBYKSZSRKQYEP-INIZCTEOSA-N 0 0 387.889 2.663 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000292827512 563796390 /nfs/dbraw/zinc/79/63/90/563796390.db2.gz OLGOQJTWDDBDKA-SNVBAGLBSA-N 0 0 381.357 2.942 20 5 GFBDRN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC000292833413 563796564 /nfs/dbraw/zinc/79/65/64/563796564.db2.gz PADFAHCCMWBGME-GFCCVEGCSA-N 0 0 390.845 2.748 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000443951813 563816300 /nfs/dbraw/zinc/81/63/00/563816300.db2.gz ZHNDIWXJDNVAHY-LLVKDONJSA-N 0 0 377.260 2.761 20 5 GFBDRN CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418071 563825858 /nfs/dbraw/zinc/82/58/58/563825858.db2.gz ZOENCDVXHSZYPV-GXSJLCMTSA-N 0 0 384.376 2.689 20 5 GFBDRN CC(C)(C)C[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416436807 563828813 /nfs/dbraw/zinc/82/88/13/563828813.db2.gz JNPMYRYFPLENCU-JTQLQIEISA-N 0 0 384.376 2.689 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cncc(Br)c1 ZINC000444641101 563834835 /nfs/dbraw/zinc/83/48/35/563834835.db2.gz FKTHLPQOXBSHLR-UHFFFAOYSA-N 0 0 376.170 2.559 20 5 GFBDRN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1c(Br)cncc1[N+](=O)[O-] ZINC000367248912 563837555 /nfs/dbraw/zinc/83/75/55/563837555.db2.gz PYCRHBTVNVBGEG-OLZOCXBDSA-N 0 0 383.246 2.732 20 5 GFBDRN NC(=O)Cc1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000444856926 563838571 /nfs/dbraw/zinc/83/85/71/563838571.db2.gz KHTZACBSZOASQJ-UHFFFAOYSA-N 0 0 384.211 2.699 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000416510576 563840960 /nfs/dbraw/zinc/84/09/60/563840960.db2.gz VAWXWJCCWGZENY-ZWNOBZJWSA-N 0 0 386.426 2.994 20 5 GFBDRN CC(C)CN(Cc1cnn(C)c1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416521057 563842134 /nfs/dbraw/zinc/84/21/34/563842134.db2.gz MZGVIXCGGAHVGQ-UHFFFAOYSA-N 0 0 386.861 2.829 20 5 GFBDRN C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416532117 563844030 /nfs/dbraw/zinc/84/40/30/563844030.db2.gz FPWJKPYBZDSHQR-LLVKDONJSA-N 0 0 381.479 2.763 20 5 GFBDRN O=C(Nc1ccc(-n2cncn2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445268370 563847832 /nfs/dbraw/zinc/84/78/32/563847832.db2.gz YQTUZROUGRKKES-UHFFFAOYSA-N 0 0 395.198 2.647 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2cccc(Br)c2)n1 ZINC000445581902 563850887 /nfs/dbraw/zinc/85/08/87/563850887.db2.gz DQDZBOWMQKOYJX-UHFFFAOYSA-N 0 0 378.186 2.926 20 5 GFBDRN C[C@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416594169 563851573 /nfs/dbraw/zinc/85/15/73/563851573.db2.gz WHNMJJBRJKRXGR-SECBINFHSA-N 0 0 376.456 2.540 20 5 GFBDRN Cc1sc(S(=O)(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000416594158 563851619 /nfs/dbraw/zinc/85/16/19/563851619.db2.gz WHKKQCBISAKLBZ-VIFPVBQESA-N 0 0 390.483 2.848 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000416651272 563858243 /nfs/dbraw/zinc/85/82/43/563858243.db2.gz QZFYYAZPKHOVJM-UHFFFAOYSA-N 0 0 388.389 2.697 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000416657110 563858748 /nfs/dbraw/zinc/85/87/48/563858748.db2.gz NDZYNFDRMQBCNK-LBPRGKRZSA-N 0 0 385.442 2.661 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCCc3cc[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC000367973808 563860965 /nfs/dbraw/zinc/86/09/65/563860965.db2.gz QEZNBLCTCHBLQB-UHFFFAOYSA-N 0 0 383.813 2.799 20 5 GFBDRN COC(C)(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040153 563872989 /nfs/dbraw/zinc/87/29/89/563872989.db2.gz RCYRLJPLAQRSFW-VIFPVBQESA-N 0 0 395.275 2.839 20 5 GFBDRN CS(=O)(=O)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Cl ZINC000447682136 563884261 /nfs/dbraw/zinc/88/42/61/563884261.db2.gz VVTTXOUZVKFOAK-UHFFFAOYSA-N 0 0 380.813 2.562 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000447938478 563891085 /nfs/dbraw/zinc/89/10/85/563891085.db2.gz BAQKAUNCXFJSSO-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000447942514 563891944 /nfs/dbraw/zinc/89/19/44/563891944.db2.gz MUKWZIFYKVESKY-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN CNC(=O)C(C)(C)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000448104480 563893488 /nfs/dbraw/zinc/89/34/88/563893488.db2.gz GCKLLOAXHLIGRK-UHFFFAOYSA-N 0 0 381.230 2.512 20 5 GFBDRN Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000470788456 564177859 /nfs/dbraw/zinc/17/78/59/564177859.db2.gz FRYUFJRJQIHRSD-UHFFFAOYSA-N 0 0 384.845 2.650 20 5 GFBDRN Cc1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)n1 ZINC000537942946 564178406 /nfs/dbraw/zinc/17/84/06/564178406.db2.gz VVAVADVKEPMEFF-UHFFFAOYSA-N 0 0 376.423 2.559 20 5 GFBDRN CC[C@H]1[C@@H](CO)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421064 564185461 /nfs/dbraw/zinc/18/54/61/564185461.db2.gz KTAQWWGWKPJMJQ-RISCZKNCSA-N 0 0 390.221 2.792 20 5 GFBDRN Cc1ccc(NC(=O)Cn2c(C)ccc([N+](=O)[O-])c2=O)c(Br)c1 ZINC000471534842 564197781 /nfs/dbraw/zinc/19/77/81/564197781.db2.gz ASPRDUVCXSNZNQ-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN COC(=O)c1cc(NCc2c([N+](=O)[O-])ncn2C)c(C)cc1Br ZINC000506219225 564199136 /nfs/dbraw/zinc/19/91/36/564199136.db2.gz LENRGCCYDXNBRO-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc([N+](=O)[O-])c(C)n2)nc1 ZINC000471621899 564200779 /nfs/dbraw/zinc/20/07/79/564200779.db2.gz YAFVSRKLZMVRCN-UHFFFAOYSA-N 0 0 382.467 2.875 20 5 GFBDRN CCc1[nH]nc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1Br ZINC000563858763 564209921 /nfs/dbraw/zinc/20/99/21/564209921.db2.gz FWSJAKJKGHAJHD-UHFFFAOYSA-N 0 0 379.174 2.771 20 5 GFBDRN Cn1ncc(Br)c1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000450000083 564213759 /nfs/dbraw/zinc/21/37/59/564213759.db2.gz RHRDHKSTHUCCFW-AWEZNQCLSA-N 0 0 397.254 2.979 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC(C2CCC2)C1 ZINC000507070461 564218165 /nfs/dbraw/zinc/21/81/65/564218165.db2.gz PRHZBZWQDZIDCY-UHFFFAOYSA-N 0 0 382.214 2.554 20 5 GFBDRN CC[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)OCCc2ccccc21 ZINC000564353575 564229909 /nfs/dbraw/zinc/22/99/09/564229909.db2.gz BHLQCCRKHXMCOD-MRXNPFEDSA-N 0 0 382.463 2.813 20 5 GFBDRN COC(=O)CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000472707604 564231820 /nfs/dbraw/zinc/23/18/20/564231820.db2.gz AVUJCJVLBVXNIT-UHFFFAOYSA-N 0 0 390.483 2.757 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000472758106 564232660 /nfs/dbraw/zinc/23/26/60/564232660.db2.gz WVWFMTHYVVXWAG-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CN(CCc1cnccn1)c1ccc(I)cc1[N+](=O)[O-] ZINC000540023843 564237258 /nfs/dbraw/zinc/23/72/58/564237258.db2.gz CFJKYVXNJXAGHF-UHFFFAOYSA-N 0 0 384.177 2.668 20 5 GFBDRN Cc1c(Br)c(NC[C@@H](O)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000450568419 564239902 /nfs/dbraw/zinc/23/99/02/564239902.db2.gz NNWAJPXLGPYADQ-LBPRGKRZSA-N 0 0 384.205 2.637 20 5 GFBDRN C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000450821669 564249619 /nfs/dbraw/zinc/24/96/19/564249619.db2.gz NRLXSDGXBPMETP-NSHDSACASA-N 0 0 393.241 2.912 20 5 GFBDRN Cc1c(Br)c(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000450873980 564252179 /nfs/dbraw/zinc/25/21/79/564252179.db2.gz DILZFLPIHHQIJW-OIBJUYFYSA-N 0 0 384.152 2.810 20 5 GFBDRN NS(=O)(=O)c1cccc(N[C@H]2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000450867888 564252279 /nfs/dbraw/zinc/25/22/79/564252279.db2.gz VOFFZWNPUMQBGP-CMPLNLGQSA-N 0 0 383.451 2.636 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c(F)c1 ZINC000541290427 564273577 /nfs/dbraw/zinc/27/35/77/564273577.db2.gz LVOLPSSGQHIFHS-UHFFFAOYSA-N 0 0 398.188 2.914 20 5 GFBDRN CC(C)[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000541348843 564275988 /nfs/dbraw/zinc/27/59/88/564275988.db2.gz GOIQORHVXFRMGA-NSHDSACASA-N 0 0 378.472 2.838 20 5 GFBDRN CC(C)CCC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474356610 564276387 /nfs/dbraw/zinc/27/63/87/564276387.db2.gz RTNCLNIGERLTRQ-NSHDSACASA-N 0 0 388.262 2.850 20 5 GFBDRN O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Br ZINC000509142761 564283650 /nfs/dbraw/zinc/28/36/50/564283650.db2.gz XXKSBLKSGSDZSE-UHFFFAOYSA-N 0 0 399.222 2.770 20 5 GFBDRN CCOC(=O)C1([S@](C)=O)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451206042 564286177 /nfs/dbraw/zinc/28/61/77/564286177.db2.gz BXGGUDGTCTYIHC-VWLOTQADSA-N 0 0 388.873 2.524 20 5 GFBDRN CCO[C@H](C)c1noc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000474784048 564289382 /nfs/dbraw/zinc/28/93/82/564289382.db2.gz NUMWWVFNRAHVKP-MRVPVSSYSA-N 0 0 386.206 2.869 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000541808042 564289626 /nfs/dbraw/zinc/28/96/26/564289626.db2.gz BLWJIRGDGIMWPC-UHFFFAOYSA-N 0 0 398.217 2.638 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1 ZINC000541801972 564289805 /nfs/dbraw/zinc/28/98/05/564289805.db2.gz QXQMLDJLZMMVKF-DEOSSOPVSA-N 0 0 382.463 2.891 20 5 GFBDRN O=C(NCCOC(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000474921755 564293995 /nfs/dbraw/zinc/29/39/95/564293995.db2.gz AWTVONYKYHCBDY-UHFFFAOYSA-N 0 0 376.209 2.802 20 5 GFBDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862392 564299684 /nfs/dbraw/zinc/29/96/84/564299684.db2.gz XFXFYGANGWQKON-NXEZZACHSA-N 0 0 379.385 2.831 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000542229473 564305446 /nfs/dbraw/zinc/30/54/46/564305446.db2.gz BZSGZXUZPWWDGG-ZDUSSCGKSA-N 0 0 386.495 2.794 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000509853527 564315693 /nfs/dbraw/zinc/31/56/93/564315693.db2.gz MLWHQAVXYLIKEY-UHFFFAOYSA-N 0 0 386.246 2.700 20 5 GFBDRN Cc1c(Br)c(NCCCc2nnc3ccccn32)ncc1[N+](=O)[O-] ZINC000542509042 564316388 /nfs/dbraw/zinc/31/63/88/564316388.db2.gz GYPPINJEYNPJPY-UHFFFAOYSA-N 0 0 391.229 2.570 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000510480765 564335392 /nfs/dbraw/zinc/33/53/92/564335392.db2.gz UWZBCUDSNKSFQZ-UHFFFAOYSA-N 0 0 398.257 2.798 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000510692071 564344108 /nfs/dbraw/zinc/34/41/08/564344108.db2.gz YIWJMXQNPHHBLC-VHSXEESVSA-N 0 0 388.193 2.611 20 5 GFBDRN CN([C@@H](CO)c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451748548 564347680 /nfs/dbraw/zinc/34/76/80/564347680.db2.gz YROLEBQYNGCYIL-INIZCTEOSA-N 0 0 384.841 2.743 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000476670080 564350149 /nfs/dbraw/zinc/35/01/49/564350149.db2.gz ZESOOQREALQCCJ-VIFPVBQESA-N 0 0 384.223 2.644 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000451792417 564352151 /nfs/dbraw/zinc/35/21/51/564352151.db2.gz TUJQLHGEMMZJBR-UHFFFAOYSA-N 0 0 377.831 2.500 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C(F)F)c(Br)c1 ZINC000511020179 564353826 /nfs/dbraw/zinc/35/38/26/564353826.db2.gz WLBVJSIYTUISQX-SECBINFHSA-N 0 0 385.186 2.776 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1scnc1C1CC1 ZINC000477088169 564364323 /nfs/dbraw/zinc/36/43/23/564364323.db2.gz XSBQXHDNZRDSFY-UHFFFAOYSA-N 0 0 380.813 2.951 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1F)N=c1cc2ccc(Br)cn2[nH]1 ZINC000511306287 564366389 /nfs/dbraw/zinc/36/63/89/564366389.db2.gz NHZPUUZMKZAANV-UHFFFAOYSA-N 0 0 393.172 2.747 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000511293125 564366660 /nfs/dbraw/zinc/36/66/60/564366660.db2.gz ZPNVLEDCHXKEQN-LLVKDONJSA-N 0 0 389.271 2.606 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Sc1ccc(Br)cc1 ZINC000511714403 564380194 /nfs/dbraw/zinc/38/01/94/564380194.db2.gz UHSHUXLPJIWLFJ-QMMMGPOBSA-N 0 0 385.243 2.991 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000567781539 564388205 /nfs/dbraw/zinc/38/82/05/564388205.db2.gz IGDNHGSJOGRMKH-ICBMNTSNSA-N 0 0 388.511 2.515 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000477965326 564391749 /nfs/dbraw/zinc/39/17/49/564391749.db2.gz MDZJWCJGPSBTQL-NRUUGDAUSA-N 0 0 384.230 2.839 20 5 GFBDRN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)cn1 ZINC000512255145 564396287 /nfs/dbraw/zinc/39/62/87/564396287.db2.gz WSRRJDBSVLGKDV-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN Cc1nc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])sc1Br ZINC000452393960 564413040 /nfs/dbraw/zinc/41/30/40/564413040.db2.gz CIXVRIOMMPQDAD-UHFFFAOYSA-N 0 0 388.247 2.899 20 5 GFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccncc1Br ZINC000479015802 564421554 /nfs/dbraw/zinc/42/15/54/564421554.db2.gz FCINMHVEFHBVMY-UHFFFAOYSA-N 0 0 379.214 2.881 20 5 GFBDRN O=C(Cc1cc[nH]c(=O)c1Br)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568581330 564424671 /nfs/dbraw/zinc/42/46/71/564424671.db2.gz KIVVRFLVYWZFEQ-UHFFFAOYSA-N 0 0 392.209 2.585 20 5 GFBDRN CN(C(=O)c1cc2c(c(Br)c1)OCO2)c1ccc([N+](=O)[O-])nc1 ZINC000568691489 564430458 /nfs/dbraw/zinc/43/04/58/564430458.db2.gz FSOYENNRKCPVFW-UHFFFAOYSA-N 0 0 380.154 2.758 20 5 GFBDRN CCn1c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)nc2cc(Br)ccc21 ZINC000479216822 564431857 /nfs/dbraw/zinc/43/18/57/564431857.db2.gz ZNJNEQNRMZGXHP-UHFFFAOYSA-N 0 0 392.213 2.985 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCCC1(F)F ZINC000452826291 564433500 /nfs/dbraw/zinc/43/35/00/564433500.db2.gz YQTBDCOSBLLEPJ-SECBINFHSA-N 0 0 375.759 2.530 20 5 GFBDRN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1C ZINC000513737259 564437031 /nfs/dbraw/zinc/43/70/31/564437031.db2.gz YPHDRZUMXLBPMH-UHFFFAOYSA-N 0 0 382.170 2.735 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)o1 ZINC000546093466 564445150 /nfs/dbraw/zinc/44/51/50/564445150.db2.gz DHXZINDIGJEKFF-UHFFFAOYSA-N 0 0 375.200 2.771 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)nc12 ZINC000546121663 564445556 /nfs/dbraw/zinc/44/55/56/564445556.db2.gz CQBPCJRVHDILEP-UHFFFAOYSA-N 0 0 392.213 2.614 20 5 GFBDRN CS(=O)(=O)c1ccsc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514180552 564446839 /nfs/dbraw/zinc/44/68/39/564446839.db2.gz WOYSZJNGAMDYCC-UHFFFAOYSA-N 0 0 392.361 2.914 20 5 GFBDRN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000569158414 564451664 /nfs/dbraw/zinc/45/16/64/564451664.db2.gz UQCNDWOTDBVPOZ-SECBINFHSA-N 0 0 384.285 2.909 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(-c3cc(F)cc(Br)c3)no2)c1 ZINC000546273454 564452357 /nfs/dbraw/zinc/45/23/57/564452357.db2.gz JMZPFUDHCRTVAG-UHFFFAOYSA-N 0 0 382.149 2.986 20 5 GFBDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479952745 564456328 /nfs/dbraw/zinc/45/63/28/564456328.db2.gz WZKSRJGZIZXOAO-VXGBXAGGSA-N 0 0 375.878 2.603 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1(C(F)(F)F)CCOCC1 ZINC000514896035 564460783 /nfs/dbraw/zinc/46/07/83/564460783.db2.gz WJGIKIJJEDIFTG-UHFFFAOYSA-N 0 0 382.360 2.601 20 5 GFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)Oc1ccc(Br)cc1 ZINC000546796154 564469009 /nfs/dbraw/zinc/46/90/09/564469009.db2.gz QOUAHFUNLGEWEK-SECBINFHSA-N 0 0 395.213 2.532 20 5 GFBDRN O=C(Nc1ccsc1Cl)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000515099020 564469219 /nfs/dbraw/zinc/46/92/19/564469219.db2.gz WWCJJAVHGOUBTD-UHFFFAOYSA-N 0 0 381.797 2.669 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nc12 ZINC000546822797 564469998 /nfs/dbraw/zinc/46/99/98/564469998.db2.gz DXVHACCAGGCNQQ-UHFFFAOYSA-N 0 0 379.170 2.836 20 5 GFBDRN CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(F)F ZINC000453787404 564472083 /nfs/dbraw/zinc/47/20/83/564472083.db2.gz IDMDAAUYFXQSNK-MRVPVSSYSA-N 0 0 394.172 2.764 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000453831905 564474745 /nfs/dbraw/zinc/47/47/45/564474745.db2.gz HIVPXLGQLVEKKE-GFCCVEGCSA-N 0 0 382.214 2.615 20 5 GFBDRN CCS(=O)(=O)c1ccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])s1 ZINC000480505724 564475627 /nfs/dbraw/zinc/47/56/27/564475627.db2.gz JMEQAHCJASNLLQ-UHFFFAOYSA-N 0 0 384.435 2.849 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1C ZINC000480727761 564485122 /nfs/dbraw/zinc/48/51/22/564485122.db2.gz KVGUXQVFBHSHEW-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000480902258 564494643 /nfs/dbraw/zinc/49/46/43/564494643.db2.gz UKNHDKCNRACEHC-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN Cc1ccc(C[C@H](CO)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Br ZINC000454331711 564506734 /nfs/dbraw/zinc/50/67/34/564506734.db2.gz SSXWUBDLNWUQQW-LBPRGKRZSA-N 0 0 396.241 2.575 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000481461880 564512291 /nfs/dbraw/zinc/51/22/91/564512291.db2.gz BXRRLFLAZWJXFC-LLVKDONJSA-N 0 0 391.232 2.914 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1ccc(F)cc1Br ZINC000481696088 564519810 /nfs/dbraw/zinc/51/98/10/564519810.db2.gz NHHYMQUMSTVDLZ-UHFFFAOYSA-N 0 0 385.193 2.660 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2cc(Br)cc(F)c2C1 ZINC000517050071 564522764 /nfs/dbraw/zinc/52/27/64/564522764.db2.gz ZQZYYPRWMBIJPG-UHFFFAOYSA-N 0 0 395.188 2.904 20 5 GFBDRN C[C@H](NC(=O)NCc1nn(C)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000455115302 564537928 /nfs/dbraw/zinc/53/79/28/564537928.db2.gz WUMLFXMFXPWBOD-VIFPVBQESA-N 0 0 382.218 2.651 20 5 GFBDRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000518408277 564553523 /nfs/dbraw/zinc/55/35/23/564553523.db2.gz PFOAWEWFBYPWFM-CQSZACIVSA-N 0 0 398.257 2.749 20 5 GFBDRN CCn1c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)nc2cc(Br)ccc21 ZINC000483041672 564557066 /nfs/dbraw/zinc/55/70/66/564557066.db2.gz CPKKZXCODMTXGS-UHFFFAOYSA-N 0 0 392.213 2.985 20 5 GFBDRN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)n1cncn1 ZINC000571608604 564558934 /nfs/dbraw/zinc/55/89/34/564558934.db2.gz RPBSLTSLTDFPFX-QMMMGPOBSA-N 0 0 379.174 2.532 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H]1C ZINC000571651020 564560537 /nfs/dbraw/zinc/56/05/37/564560537.db2.gz ZOEJVAGLGBPHQZ-MWLCHTKSSA-N 0 0 385.214 2.689 20 5 GFBDRN COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000519036189 564568674 /nfs/dbraw/zinc/56/86/74/564568674.db2.gz NOVHMCOIYSQNIM-UHFFFAOYSA-N 0 0 380.447 2.901 20 5 GFBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000519074692 564569677 /nfs/dbraw/zinc/56/96/77/564569677.db2.gz OOUTYFSMKFUMRL-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN Cc1cc(Br)cc2c1N(C(=O)c1cc([N+](=O)[O-])nn1C)CCC2 ZINC000483993945 564579944 /nfs/dbraw/zinc/57/99/44/564579944.db2.gz LFLXEMSGVLNHJS-UHFFFAOYSA-N 0 0 379.214 2.992 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548950036 564582346 /nfs/dbraw/zinc/58/23/46/564582346.db2.gz DFWAGGXRIHCBHB-PRHODGIISA-N 0 0 383.202 2.586 20 5 GFBDRN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000456134289 564590310 /nfs/dbraw/zinc/59/03/10/564590310.db2.gz LKVQLNBDOVIDJV-OLZOCXBDSA-N 0 0 385.214 2.819 20 5 GFBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520038198 564595921 /nfs/dbraw/zinc/59/59/21/564595921.db2.gz OUGDQWZWYRUYID-SECBINFHSA-N 0 0 380.198 2.819 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456326195 564600291 /nfs/dbraw/zinc/60/02/91/564600291.db2.gz OLHNHIWRKKRFIX-NTZNESFSSA-N 0 0 383.242 2.980 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456344539 564601230 /nfs/dbraw/zinc/60/12/30/564601230.db2.gz XHJLELOJUKYUGV-ZLDLUXBVSA-N 0 0 397.269 2.909 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456348522 564601845 /nfs/dbraw/zinc/60/18/45/564601845.db2.gz ZHVAUUNPUDOXFL-WZRBSPASSA-N 0 0 383.242 2.980 20 5 GFBDRN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000456445602 564607537 /nfs/dbraw/zinc/60/75/37/564607537.db2.gz SMLJOKINDRSKFU-YPMHNXCESA-N 0 0 385.214 2.819 20 5 GFBDRN COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000520746524 564612293 /nfs/dbraw/zinc/61/22/93/564612293.db2.gz FXLZOIIUEGPFOR-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1c(NS(=O)(=O)N2CC[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000485396244 564613864 /nfs/dbraw/zinc/61/38/64/564613864.db2.gz KJIGMABTJIIDIO-MRVPVSSYSA-N 0 0 378.248 2.664 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)ncc1[N+](=O)[O-] ZINC000521685463 564634023 /nfs/dbraw/zinc/63/40/23/564634023.db2.gz BMWPMRDTIIJICS-NXEZZACHSA-N 0 0 392.275 2.828 20 5 GFBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000456822998 564635893 /nfs/dbraw/zinc/63/58/93/564635893.db2.gz ZFFRACDPCPVEQH-IUODEOHRSA-N 0 0 380.447 2.601 20 5 GFBDRN C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1[N+](=O)[O-] ZINC000486120777 564640516 /nfs/dbraw/zinc/64/05/16/564640516.db2.gz NQBLJXKFVVJIAA-SECBINFHSA-N 0 0 380.198 2.878 20 5 GFBDRN Cc1ccoc1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000551178779 564641170 /nfs/dbraw/zinc/64/11/70/564641170.db2.gz UBQQLYGGUNTIQR-UHFFFAOYSA-N 0 0 396.197 2.822 20 5 GFBDRN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551664790 564659709 /nfs/dbraw/zinc/65/97/09/564659709.db2.gz TXLCIJFEUFIQJX-UHFFFAOYSA-N 0 0 383.202 2.725 20 5 GFBDRN CN(Cc1ccc(Br)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523287493 564663884 /nfs/dbraw/zinc/66/38/84/564663884.db2.gz JVWREXWVEGFAPT-UHFFFAOYSA-N 0 0 381.230 2.948 20 5 GFBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ncc(Br)cn1 ZINC000486733265 564664628 /nfs/dbraw/zinc/66/46/28/564664628.db2.gz JSJXOYZKMZCQLH-QMMMGPOBSA-N 0 0 383.177 2.706 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000487103061 564676158 /nfs/dbraw/zinc/67/61/58/564676158.db2.gz LWHIHDCZBYAGRA-JTQLQIEISA-N 0 0 384.435 2.791 20 5 GFBDRN CC[C@@](C)(NCc1cc(I)cc([N+](=O)[O-])c1)C(=O)OC ZINC000574503731 564676164 /nfs/dbraw/zinc/67/61/64/564676164.db2.gz NULZINSSKIVWNN-CYBMUJFWSA-N 0 0 392.193 2.631 20 5 GFBDRN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000574756152 564688363 /nfs/dbraw/zinc/68/83/63/564688363.db2.gz OHRQFYVHTHYXFB-LVUSLIMOSA-N 0 0 394.280 2.696 20 5 GFBDRN CNS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000552590002 564695877 /nfs/dbraw/zinc/69/58/77/564695877.db2.gz QDBYVOLNJBSOGG-UHFFFAOYSA-N 0 0 387.776 2.548 20 5 GFBDRN CCn1cc([C@H]2C[S@](=O)CCN2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000488237091 564708548 /nfs/dbraw/zinc/70/85/48/564708548.db2.gz RMPIICMCZXGQRQ-PUAOIOHZSA-N 0 0 382.873 2.770 20 5 GFBDRN CCc1ccc(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1Cl ZINC000553234485 564712756 /nfs/dbraw/zinc/71/27/56/564712756.db2.gz PFVSJBMQMAGELY-UHFFFAOYSA-N 0 0 383.813 2.710 20 5 GFBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000488813855 564720757 /nfs/dbraw/zinc/72/07/57/564720757.db2.gz IOTPWLPWIRKMSU-YGRLFVJLSA-N 0 0 387.230 2.623 20 5 GFBDRN COCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000488822503 564721351 /nfs/dbraw/zinc/72/13/51/564721351.db2.gz SVGPIZNIEZVXIZ-WCQYABFASA-N 0 0 388.873 2.993 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553574375 564727764 /nfs/dbraw/zinc/72/77/64/564727764.db2.gz IJDRHBQKTVLPHL-AWEZNQCLSA-N 0 0 384.841 2.959 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000553603992 564729348 /nfs/dbraw/zinc/72/93/48/564729348.db2.gz CSEKKMVKZPBXNY-APPZFPTMSA-N 0 0 384.152 2.749 20 5 GFBDRN COCC1(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000554340337 564757890 /nfs/dbraw/zinc/75/78/90/564757890.db2.gz RFTCZXRNSQQKSU-UHFFFAOYSA-N 0 0 387.230 2.591 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490139795 564764468 /nfs/dbraw/zinc/76/44/68/564764468.db2.gz OIJQOKRFYSZOKH-AWEZNQCLSA-N 0 0 376.862 2.714 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000490410330 564770165 /nfs/dbraw/zinc/77/01/65/564770165.db2.gz GRSZFZRRNIMVKU-LBPRGKRZSA-N 0 0 382.360 2.634 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000554725031 564771952 /nfs/dbraw/zinc/77/19/52/564771952.db2.gz XLBYMNCZGHZKEF-OAHLLOKOSA-N 0 0 385.804 2.903 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1nnc(C(C)C)s1 ZINC000490474170 564773207 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GFBDRN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000581576014 564809185 /nfs/dbraw/zinc/80/91/85/564809185.db2.gz NMPJQGWFUNJUSW-NSHDSACASA-N 0 0 381.479 2.665 20 5 GFBDRN COc1cc(Cc2noc(-c3nn(C)cc3Br)n2)ccc1[N+](=O)[O-] ZINC000556308329 564818126 /nfs/dbraw/zinc/81/81/26/564818126.db2.gz MEBUVCMEEDHMHE-UHFFFAOYSA-N 0 0 394.185 2.740 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2ccc(Br)cc2C1 ZINC000556534647 564829910 /nfs/dbraw/zinc/82/99/10/564829910.db2.gz TZQVROFDBLNKEZ-UHFFFAOYSA-N 0 0 378.226 2.577 20 5 GFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462523229 564845377 /nfs/dbraw/zinc/84/53/77/564845377.db2.gz DDKSPLZGHIFDTO-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN O=C(NCc1nc2cc(Br)ccc2o1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000556906159 564845396 /nfs/dbraw/zinc/84/53/96/564845396.db2.gz YJOFFGVDJMABNI-UHFFFAOYSA-N 0 0 393.153 2.529 20 5 GFBDRN CCNC(=O)NC1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000557159082 564856835 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375.219 2.862 20 5 GFBDRN CN(CCc1cccc(Br)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000463618950 564885646 /nfs/dbraw/zinc/88/56/46/564885646.db2.gz AKIGLNVLDFEGBU-UHFFFAOYSA-N 0 0 379.214 2.881 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccsc3C2)c2ncccc12 ZINC000464201668 564898608 /nfs/dbraw/zinc/89/86/08/564898608.db2.gz UMICZLUQHVKRLK-UHFFFAOYSA-N 0 0 375.431 2.952 20 5 GFBDRN CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498583763 564903407 /nfs/dbraw/zinc/90/34/07/564903407.db2.gz MMFNAZLNYMFZNT-NXEZZACHSA-N 0 0 385.136 2.789 20 5 GFBDRN Cc1nc(C)c(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464418151 564906601 /nfs/dbraw/zinc/90/66/01/564906601.db2.gz GFTQMFVIYRCGJD-UHFFFAOYSA-N 0 0 378.435 2.695 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000558580888 564906831 /nfs/dbraw/zinc/90/68/31/564906831.db2.gz PULLICOWOLGLOJ-GFCCVEGCSA-N 0 0 380.198 2.949 20 5 GFBDRN CCOC(=O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000531506381 564912577 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388.873 2.994 20 5 GFBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc2cc(Br)ccc2[nH]1 ZINC000748104125 655787530 /nfs/dbraw/zinc/78/75/30/655787530.db2.gz STEDDLYGPZJJJU-UHFFFAOYSA-N 0 0 379.170 2.892 20 5 GFBDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)OCCn1ccc([N+](=O)[O-])n1 ZINC000748120829 655787848 /nfs/dbraw/zinc/78/78/48/655787848.db2.gz BCCFRCGNMCLOQA-UHFFFAOYSA-N 0 0 384.179 2.532 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)Cc1ccsc1 ZINC000748273248 655789350 /nfs/dbraw/zinc/78/93/50/655789350.db2.gz GOPWPOIHONNCHY-LLVKDONJSA-N 0 0 385.467 2.881 20 5 GFBDRN C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000749055230 655799179 /nfs/dbraw/zinc/79/91/79/655799179.db2.gz JHJOVASYQUIZAH-JTQLQIEISA-N 0 0 381.182 2.823 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CCn2cccn2)cc1Br ZINC000749096214 655799985 /nfs/dbraw/zinc/79/99/85/655799985.db2.gz GXJILNJHNLVETH-UHFFFAOYSA-N 0 0 397.229 2.867 20 5 GFBDRN CS(=O)(=O)Cc1cccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000749108532 655800574 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GFBDRN CCC(O)(CC)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472191475 564215827 /nfs/dbraw/zinc/21/58/27/564215827.db2.gz KNSFFJMRTBUVAX-UHFFFAOYSA-N 0 0 395.275 2.577 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCOc1ncccc1Cl ZINC000472299984 564219917 /nfs/dbraw/zinc/21/99/17/564219917.db2.gz PQXNOPGVXUAVLH-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN O=C(NCC1(c2ccc(Br)cc2)CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507459206 564229620 /nfs/dbraw/zinc/22/96/20/564229620.db2.gz IJYBFWZGKTYAOS-UHFFFAOYSA-N 0 0 379.214 2.932 20 5 GFBDRN CNc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539990509 564236146 /nfs/dbraw/zinc/23/61/46/564236146.db2.gz LCYBQHLLGQZRJO-AWEZNQCLSA-N 0 0 394.225 2.862 20 5 GFBDRN CC(C)NC(=O)c1ccc(NCc2nn(C)cc2Br)c([N+](=O)[O-])c1 ZINC000450730893 564245686 /nfs/dbraw/zinc/24/56/86/564245686.db2.gz YBQBPNQSOSWTMI-UHFFFAOYSA-N 0 0 396.245 2.841 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000450864997 564252367 /nfs/dbraw/zinc/25/23/67/564252367.db2.gz RJOFDVPADVVDEW-GXFFZTMASA-N 0 0 383.451 2.636 20 5 GFBDRN Cn1ccnc1[C@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450952513 564255766 /nfs/dbraw/zinc/25/57/66/564255766.db2.gz UJOQJQBISQYPEF-CMPLNLGQSA-N 0 0 382.218 2.818 20 5 GFBDRN CCOC(=O)c1cnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000508145105 564256352 /nfs/dbraw/zinc/25/63/52/564256352.db2.gz GFPFNMNDFUTSHK-UHFFFAOYSA-N 0 0 397.185 2.520 20 5 GFBDRN O=C(Cc1ccc(Br)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000540882828 564259157 /nfs/dbraw/zinc/25/91/57/564259157.db2.gz QYWMTNGEGVNRIY-UHFFFAOYSA-N 0 0 376.210 2.880 20 5 GFBDRN CO[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000541115267 564266684 /nfs/dbraw/zinc/26/66/84/564266684.db2.gz ZBEMQYZXAFOCFS-AWEZNQCLSA-N 0 0 385.829 2.695 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1nc2cccnc2[nH]1 ZINC000565144421 564267494 /nfs/dbraw/zinc/26/74/94/564267494.db2.gz AEFMAVGMLPJGPT-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000541169455 564268076 /nfs/dbraw/zinc/26/80/76/564268076.db2.gz HBTNGMXLEFJXTO-AWEZNQCLSA-N 0 0 390.193 2.503 20 5 GFBDRN O=C(NC[C@H]1CCCCS1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000541269984 564271692 /nfs/dbraw/zinc/27/16/92/564271692.db2.gz MZFICDRJDGRYFW-NEPJUHHUSA-N 0 0 383.495 2.663 20 5 GFBDRN Cc1ccnc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC000509266421 564291111 /nfs/dbraw/zinc/29/11/11/564291111.db2.gz DUOXZDJDRSLNBK-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN COCCCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000509588331 564304818 /nfs/dbraw/zinc/30/48/18/564304818.db2.gz ZHFZMDZKPGDQHK-UHFFFAOYSA-N 0 0 386.451 2.550 20 5 GFBDRN Cc1c(Br)c(=O)n(CC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000542219263 564305230 /nfs/dbraw/zinc/30/52/30/564305230.db2.gz JFYCVKMIJXQSIM-JOCHJYFZSA-N 0 0 385.239 2.635 20 5 GFBDRN Cn1cc(Br)cc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1=O ZINC000542234689 564305802 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GFBDRN Cc1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000543119199 564338025 /nfs/dbraw/zinc/33/80/25/564338025.db2.gz QLYMSDQJJZUUDH-GFCCVEGCSA-N 0 0 397.225 2.576 20 5 GFBDRN CS(=O)(=O)N1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000566695253 564338479 /nfs/dbraw/zinc/33/84/79/564338479.db2.gz CETRGJLMFRYFRQ-NSHDSACASA-N 0 0 381.376 2.840 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000543452645 564351667 /nfs/dbraw/zinc/35/16/67/564351667.db2.gz LWJDVVOHZUUMIH-UHFFFAOYSA-N 0 0 396.197 2.800 20 5 GFBDRN Cc1cc(Cl)ccc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543508470 564353471 /nfs/dbraw/zinc/35/34/71/564353471.db2.gz HKEVAOFWNCIDOS-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000543680563 564359167 /nfs/dbraw/zinc/35/91/67/564359167.db2.gz VGHJJIILMQSPHJ-HNNXBMFYSA-N 0 0 383.495 2.854 20 5 GFBDRN CN(CCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000477179100 564368051 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Cc1c(Br)c(=O)n(Cc2nc(-c3cccs3)n[nH]2)cc1[N+](=O)[O-] ZINC000544081989 564374194 /nfs/dbraw/zinc/37/41/94/564374194.db2.gz RQVUVNSIXDDCHF-UHFFFAOYSA-N 0 0 396.226 2.722 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000451968889 564374378 /nfs/dbraw/zinc/37/43/78/564374378.db2.gz VAWXWJCCWGZENY-MFKMUULPSA-N 0 0 386.426 2.994 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(CCO)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452008371 564381001 /nfs/dbraw/zinc/38/10/01/564381001.db2.gz OTHAIPUGMFRVGB-ZYHUDNBSSA-N 0 0 376.862 2.728 20 5 GFBDRN Cc1c(Br)c(NCCC(=O)NCc2ccccc2)ncc1[N+](=O)[O-] ZINC000544396655 564385176 /nfs/dbraw/zinc/38/51/76/564385176.db2.gz IUFZXVMEKCFGSW-UHFFFAOYSA-N 0 0 393.241 2.601 20 5 GFBDRN CCc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000567769360 564387690 /nfs/dbraw/zinc/38/76/90/564387690.db2.gz ALQQECCEZSCFMM-INIZCTEOSA-N 0 0 383.495 2.800 20 5 GFBDRN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Br)cn1 ZINC000477798640 564388136 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CCC(C)(C)NC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478891305 564418024 /nfs/dbraw/zinc/41/80/24/564418024.db2.gz BXBKCNPPWGYITN-UHFFFAOYSA-N 0 0 392.193 2.883 20 5 GFBDRN CC(C)(O)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000479059259 564424078 /nfs/dbraw/zinc/42/40/78/564424078.db2.gz TVDMUNIBFMMGQU-UHFFFAOYSA-N 0 0 387.223 2.978 20 5 GFBDRN O=C(NCC1(CF)CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000452789299 564431502 /nfs/dbraw/zinc/43/15/02/564431502.db2.gz ACWBPMFVYCYPTP-UHFFFAOYSA-N 0 0 381.223 2.915 20 5 GFBDRN CCO[C@H]1COCC[C@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000546053320 564442223 /nfs/dbraw/zinc/44/22/23/564442223.db2.gz LKKXJSFHAHJUJA-HIFRSBDPSA-N 0 0 396.241 2.933 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])[nH]3)nc12 ZINC000546116782 564445856 /nfs/dbraw/zinc/44/58/56/564445856.db2.gz HGYWFSHVZORXNF-UHFFFAOYSA-N 0 0 392.213 2.614 20 5 GFBDRN C[C@H](O)C1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000569173435 564451868 /nfs/dbraw/zinc/45/18/68/564451868.db2.gz SNGNQSAXBXVXBJ-JTQLQIEISA-N 0 0 390.221 2.792 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000479924811 564455223 /nfs/dbraw/zinc/45/52/23/564455223.db2.gz NRCHVQYGLHHTCV-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN O=C(CNC(=O)c1ccc(F)cc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000569339006 564460155 /nfs/dbraw/zinc/46/01/55/564460155.db2.gz YQCSPKHDZPBISI-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN CS[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000515087577 564468994 /nfs/dbraw/zinc/46/89/94/564468994.db2.gz JGCQSXLMHWLISA-QMMMGPOBSA-N 0 0 387.464 2.574 20 5 GFBDRN Nc1nccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000569707567 564474756 /nfs/dbraw/zinc/47/47/56/564474756.db2.gz GGCVNKSYYAMLBB-UMSPYCQHSA-N 0 0 391.225 2.841 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1ncnn1-c1ccccc1 ZINC000480512221 564476546 /nfs/dbraw/zinc/47/65/46/564476546.db2.gz OIDNGIHKZKPMRF-UHFFFAOYSA-N 0 0 375.186 2.945 20 5 GFBDRN CN(C)c1cccnc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569750086 564477038 /nfs/dbraw/zinc/47/70/38/564477038.db2.gz RONUNWBIIUGOTI-UHFFFAOYSA-N 0 0 379.214 2.748 20 5 GFBDRN Cc1csc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000480564808 564477399 /nfs/dbraw/zinc/47/73/99/564477399.db2.gz SJNDFQOZIKIGPQ-UHFFFAOYSA-N 0 0 388.854 2.822 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCc1noc(Cn2cc(Br)cn2)n1 ZINC000547082922 564477753 /nfs/dbraw/zinc/47/77/53/564477753.db2.gz KDHFSKLDEMILRY-UHFFFAOYSA-N 0 0 393.201 2.640 20 5 GFBDRN Cc1c(Br)c(N(CCCO)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000481038718 564501607 /nfs/dbraw/zinc/50/16/07/564501607.db2.gz QOVWUEJXVYRVJU-UHFFFAOYSA-N 0 0 381.230 2.845 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2ccc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000481063004 564502193 /nfs/dbraw/zinc/50/21/93/564502193.db2.gz WEGFWGHMTAJFEZ-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)ncc1[N+](=O)[O-] ZINC000481127985 564504272 /nfs/dbraw/zinc/50/42/72/564504272.db2.gz ZTCWMBSQQNXINU-BONVTDFDSA-N 0 0 386.246 2.835 20 5 GFBDRN NC(=O)c1cccc(NCCCCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000516591596 564505892 /nfs/dbraw/zinc/50/58/92/564505892.db2.gz DOOFCCMSDCGOEL-UHFFFAOYSA-N 0 0 382.218 2.545 20 5 GFBDRN Cc1ccc(C[C@@H](CO)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Br ZINC000454331709 564506247 /nfs/dbraw/zinc/50/62/47/564506247.db2.gz SSXWUBDLNWUQQW-GFCCVEGCSA-N 0 0 396.241 2.575 20 5 GFBDRN Nc1nccc(C(=O)N[C@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000547764188 564510613 /nfs/dbraw/zinc/51/06/13/564510613.db2.gz BXNFGYAWSJYWEB-LBPRGKRZSA-N 0 0 377.198 2.582 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000481463668 564512272 /nfs/dbraw/zinc/51/22/72/564512272.db2.gz HZDXDVAADAKTOP-VIFPVBQESA-N 0 0 397.261 2.975 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1NC1CC1 ZINC000481808023 564524358 /nfs/dbraw/zinc/52/43/58/564524358.db2.gz GTLKHGQTWOHOKE-UHFFFAOYSA-N 0 0 380.202 2.917 20 5 GFBDRN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571187282 564540091 /nfs/dbraw/zinc/54/00/91/564540091.db2.gz WIFIVMZCVFKCNY-ZANVPECISA-N 0 0 384.230 2.991 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482546328 564545840 /nfs/dbraw/zinc/54/58/40/564545840.db2.gz ANCJTPOBNBYMNB-SECBINFHSA-N 0 0 384.223 2.644 20 5 GFBDRN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518200510 564547870 /nfs/dbraw/zinc/54/78/70/564547870.db2.gz QNGOQLOFYZIVOF-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000483119582 564559111 /nfs/dbraw/zinc/55/91/11/564559111.db2.gz KFUMKAVFMGURFE-CYBMUJFWSA-N 0 0 397.200 2.830 20 5 GFBDRN COc1c(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000483628807 564571916 /nfs/dbraw/zinc/57/19/16/564571916.db2.gz RRCYUBJXFGBLFT-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cncc(I)c1 ZINC000548746146 564573286 /nfs/dbraw/zinc/57/32/86/564573286.db2.gz WCPFAWBYMHDHBR-UHFFFAOYSA-N 0 0 397.172 2.567 20 5 GFBDRN CCN(C)C(=O)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000456063105 564586867 /nfs/dbraw/zinc/58/68/67/564586867.db2.gz ZWXUFMAXQRXYPA-HNNXBMFYSA-N 0 0 387.889 2.959 20 5 GFBDRN C[C@@H](C(=O)N(C)CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000572519752 564598794 /nfs/dbraw/zinc/59/87/94/564598794.db2.gz LWGRPUBRNJEZND-SNVBAGLBSA-N 0 0 399.220 2.955 20 5 GFBDRN CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1n1cccn1 ZINC000549684162 564601425 /nfs/dbraw/zinc/60/14/25/564601425.db2.gz JRZUKMAELLIENP-UPJWGTAASA-N 0 0 382.218 2.779 20 5 GFBDRN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000549751155 564605183 /nfs/dbraw/zinc/60/51/83/564605183.db2.gz SKDQLRQWLRGWAM-UHFFFAOYSA-N 0 0 376.423 2.559 20 5 GFBDRN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000549818411 564606733 /nfs/dbraw/zinc/60/67/33/564606733.db2.gz DJFOLCQBUPTIML-UHFFFAOYSA-N 0 0 395.198 2.851 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2nccn21 ZINC000456437975 564607734 /nfs/dbraw/zinc/60/77/34/564607734.db2.gz XHLYRDGTXLYABW-ZANVPECISA-N 0 0 379.214 2.919 20 5 GFBDRN CC1(C)C[C@H](O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000456548869 564617386 /nfs/dbraw/zinc/61/73/86/564617386.db2.gz ZKWPDKGYWQRKHC-CYBMUJFWSA-N 0 0 385.258 2.909 20 5 GFBDRN COC(=O)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000521058598 564618543 /nfs/dbraw/zinc/61/85/43/564618543.db2.gz PHKRUSAADRKVFP-SNVBAGLBSA-N 0 0 385.214 2.676 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](COCC2CC2)C1 ZINC000485553733 564619490 /nfs/dbraw/zinc/61/94/90/564619490.db2.gz AQGMFSNCHIOKLS-OAHLLOKOSA-N 0 0 399.241 2.625 20 5 GFBDRN Cc1[nH]n(C)c2nnc(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)c1-2 ZINC000550325822 564620682 /nfs/dbraw/zinc/62/06/82/564620682.db2.gz UIVRPOGFZZOGLA-UHFFFAOYSA-N 0 0 393.201 2.836 20 5 GFBDRN CCn1cc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000456699758 564625490 /nfs/dbraw/zinc/62/54/90/564625490.db2.gz UWZKKSITQAFRBN-SNVBAGLBSA-N 0 0 381.230 2.994 20 5 GFBDRN O=C(Cn1cc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485874478 564628963 /nfs/dbraw/zinc/62/89/63/564628963.db2.gz XJSPXJSWTZLKAO-UHFFFAOYSA-N 0 0 391.128 2.794 20 5 GFBDRN Cc1sc(NC(=O)Cn2cnc([N+](=O)[O-])n2)nc1-c1cccc(Cl)c1 ZINC000573228390 564629136 /nfs/dbraw/zinc/62/91/36/564629136.db2.gz OSBHPCCMQJMZFO-UHFFFAOYSA-N 0 0 378.801 2.910 20 5 GFBDRN COCCO[C@H]1COCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000486031651 564636738 /nfs/dbraw/zinc/63/67/38/564636738.db2.gz WLZPYHQXYONEPC-OCCSQVGLSA-N 0 0 375.219 2.590 20 5 GFBDRN COC(=O)CCc1nnc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000486205552 564643588 /nfs/dbraw/zinc/64/35/88/564643588.db2.gz SGUOXYYBOIUZJS-UHFFFAOYSA-N 0 0 382.423 2.526 20 5 GFBDRN C[C@](NC(=O)c1sc(Br)cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000486348859 564648882 /nfs/dbraw/zinc/64/88/82/564648882.db2.gz RNOXDFSFOPELJN-CQSZACIVSA-N 0 0 398.238 2.549 20 5 GFBDRN O=C(CCNC(=O)c1ccco1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551667428 564659859 /nfs/dbraw/zinc/65/98/59/564659859.db2.gz FYMMORIOKCKAMO-UHFFFAOYSA-N 0 0 382.170 2.709 20 5 GFBDRN C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cccs1 ZINC000523121863 564662020 /nfs/dbraw/zinc/66/20/20/564662020.db2.gz ZHTNLMKXQHYXFE-NSHDSACASA-N 0 0 379.463 2.806 20 5 GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000486827336 564667525 /nfs/dbraw/zinc/66/75/25/564667525.db2.gz QUGKIECNLLHJBH-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)cc([N+](=O)[O-])c1C ZINC000523872052 564674205 /nfs/dbraw/zinc/67/42/05/564674205.db2.gz VFMUJPUFFPQBNL-UHFFFAOYSA-N 0 0 384.435 2.620 20 5 GFBDRN COc1ccc(C[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000525184352 564695199 /nfs/dbraw/zinc/69/51/99/564695199.db2.gz ZLAJAGGLGQSJKA-JTQLQIEISA-N 0 0 386.451 2.583 20 5 GFBDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539294 564725106 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O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000554725023 564771910 /nfs/dbraw/zinc/77/19/10/564771910.db2.gz XLBYMNCZGHZKEF-HNNXBMFYSA-N 0 0 385.804 2.903 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1OCCc2sccc21 ZINC000490510330 564775028 /nfs/dbraw/zinc/77/50/28/564775028.db2.gz RYRKIDHRVURECV-PSLIRLAXSA-N 0 0 386.426 2.776 20 5 GFBDRN CCC(CC)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000490548835 564776891 /nfs/dbraw/zinc/77/68/91/564776891.db2.gz NMUZZWOQXBUCCA-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN O=c1ccc(C2CC2)nn1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581160034 564790668 /nfs/dbraw/zinc/79/06/68/564790668.db2.gz JFQFVLJWMXAADK-UHFFFAOYSA-N 0 0 397.172 2.682 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000461638902 564802133 /nfs/dbraw/zinc/80/21/33/564802133.db2.gz ZQWIVHOPGARDTJ-UHFFFAOYSA-N 0 0 376.170 2.559 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)Cc1ccccc1Cl)CCO2 ZINC000581457759 564803131 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QZRIHFYGCGMFSW-UHFFFAOYSA-N 0 0 388.384 2.566 20 5 GFBDRN Cc1cc(F)ccc1N1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737271182 599231594 /nfs/dbraw/zinc/23/15/94/599231594.db2.gz SRHIAHQUNBRUMS-ZDUSSCGKSA-N 0 0 398.402 2.698 20 5 GFBDRN C[C@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820508669 607263688 /nfs/dbraw/zinc/26/36/88/607263688.db2.gz UWMSRTSWOVQJDE-QMMMGPOBSA-N 0 0 375.291 2.971 20 5 GFBDRN Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCNc1ccc([N+](=O)[O-])cc1 ZINC000737407395 599260450 /nfs/dbraw/zinc/26/04/50/599260450.db2.gz APOLKRAAZIVZHV-UHFFFAOYSA-N 0 0 390.407 2.577 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CCc4sccc4C3)cc(-c3nn[nH]n3)c2c1 ZINC000738368035 599266424 /nfs/dbraw/zinc/26/64/24/599266424.db2.gz YYABMUQZXWQYIV-UHFFFAOYSA-N 0 0 379.405 2.947 20 5 GFBDRN O=[N+]([O-])c1cc(F)cc(OCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)c1 ZINC000823634747 607327744 /nfs/dbraw/zinc/32/77/44/607327744.db2.gz LFABJLIOWSSPPL-UHFFFAOYSA-N 0 0 383.299 2.543 20 5 GFBDRN CN(CC(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821593659 607328758 /nfs/dbraw/zinc/32/87/58/607328758.db2.gz DJTVTCGMDJZXGG-UHFFFAOYSA-N 0 0 387.787 2.503 20 5 GFBDRN CN(CC(=O)Nc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821593825 607328820 /nfs/dbraw/zinc/32/88/20/607328820.db2.gz LUDPBBQISOVIDI-UHFFFAOYSA-N 0 0 387.787 2.503 20 5 GFBDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000735660588 598278719 /nfs/dbraw/zinc/27/87/19/598278719.db2.gz DOHGKORGBYIMEX-UHFFFAOYSA-N 0 0 398.427 2.696 20 5 GFBDRN CCNc1ccc(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000736581767 598281449 /nfs/dbraw/zinc/28/14/49/598281449.db2.gz NVZSOPGMFJCROX-UHFFFAOYSA-N 0 0 385.359 2.622 20 5 GFBDRN Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737511831 598339655 /nfs/dbraw/zinc/33/96/55/598339655.db2.gz PEUYNYSYFLDDMJ-CYBMUJFWSA-N 0 0 388.819 2.812 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000737409296 598368206 /nfs/dbraw/zinc/36/82/06/598368206.db2.gz COKFRHAOHXLUCC-UHFFFAOYSA-N 0 0 383.387 2.549 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000738359374 598467894 /nfs/dbraw/zinc/46/78/94/598467894.db2.gz PZFDYICWWYRACA-AWEZNQCLSA-N 0 0 394.313 2.939 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCSCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738368066 598512128 /nfs/dbraw/zinc/51/21/28/598512128.db2.gz ZWAPARCLNVYRRC-UHFFFAOYSA-N 0 0 387.421 2.966 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738145518 598576819 /nfs/dbraw/zinc/57/68/19/598576819.db2.gz SHEBRQSMYYVDOI-MRXNPFEDSA-N 0 0 397.370 2.522 20 5 GFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736140190 598747531 /nfs/dbraw/zinc/74/75/31/598747531.db2.gz ZPLFYOUCKZCGSY-ZETCQYMHSA-N 0 0 385.775 2.873 20 5 GFBDRN O=[N+]([O-])c1cnc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c(-c2nn[nH]n2)c1 ZINC000823651219 599298453 /nfs/dbraw/zinc/29/84/53/599298453.db2.gz INFPYUVJCANPJM-UHFFFAOYSA-N 0 0 384.356 2.850 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[nH]n2)c1 ZINC000738370267 599306661 /nfs/dbraw/zinc/30/66/61/599306661.db2.gz TUHRPVPXSAKADZ-GFCCVEGCSA-N 0 0 396.194 2.622 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCc3nccn3C(F)F)cc(-c3nn[nH]n3)c2c1 ZINC000823644100 599501823 /nfs/dbraw/zinc/50/18/23/599501823.db2.gz FRHXVLBAZWDDDQ-UHFFFAOYSA-N 0 0 387.310 2.527 20 5 GFBDRN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313312 599538380 /nfs/dbraw/zinc/53/83/80/599538380.db2.gz CRPQHGHQAAWZAU-LBPRGKRZSA-N 0 0 380.408 2.930 20 5 GFBDRN Cc1ccccc1[C@H](O)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822351048 599553334 /nfs/dbraw/zinc/55/33/34/599553334.db2.gz KGAOAMVYBYZOEH-QGZVFWFLSA-N 0 0 391.391 2.777 20 5 GFBDRN Cc1noc(C)c1C[C@@H](C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822523753 599567790 /nfs/dbraw/zinc/56/77/90/599567790.db2.gz UHFNNJBFWHHZLK-SECBINFHSA-N 0 0 394.395 2.971 20 5 GFBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820570408 599569742 /nfs/dbraw/zinc/56/97/42/599569742.db2.gz JGUSSNSJFOESQG-ZDUSSCGKSA-N 0 0 397.414 2.797 20 5 GFBDRN Cc1ccc(Oc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)nn1 ZINC000822267421 599589026 /nfs/dbraw/zinc/58/90/26/599589026.db2.gz SGUJWJVBGPTXNP-UHFFFAOYSA-N 0 0 391.351 2.804 20 5 GFBDRN Cc1c(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)cccc1[N+](=O)[O-] ZINC000826236461 607428313 /nfs/dbraw/zinc/42/83/13/607428313.db2.gz MZWAKUMKFNOXJE-UHFFFAOYSA-N 0 0 384.421 2.815 20 5 GFBDRN CCNc1ccc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825481330 607446667 /nfs/dbraw/zinc/44/66/67/607446667.db2.gz WWMGXCOBMCFFPG-UHFFFAOYSA-N 0 0 393.407 2.626 20 5 GFBDRN CC[NH+](CC)CC1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829671851 600810914 /nfs/dbraw/zinc/81/09/14/600810914.db2.gz PJNCGLXVLJJGMW-UHFFFAOYSA-N 0 0 380.401 2.759 20 5 GFBDRN CCC1CCC([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC000829107585 601494221 /nfs/dbraw/zinc/49/42/21/601494221.db2.gz ONNTVRKWEDCXOE-UHFFFAOYSA-N 0 0 379.413 2.555 20 5 GFBDRN Cc1cccc(OCC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826299905 607522763 /nfs/dbraw/zinc/52/27/63/607522763.db2.gz AQECOFHTJHOZHV-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN O=C(Cc1noc2ccccc12)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826423882 607523602 /nfs/dbraw/zinc/52/36/02/607523602.db2.gz LEEIMDHCKLGDJF-UHFFFAOYSA-N 0 0 399.754 2.751 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000826451025 607525610 /nfs/dbraw/zinc/52/56/10/607525610.db2.gz MRZPQQCTEOEHKK-UHFFFAOYSA-N 0 0 389.715 2.589 20 5 GFBDRN Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570804804 602321227 /nfs/dbraw/zinc/32/12/27/602321227.db2.gz CRVALCOVCVCXPK-UHFFFAOYSA-N 0 0 377.441 2.683 20 5 GFBDRN COc1cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739861717 602533999 /nfs/dbraw/zinc/53/39/99/602533999.db2.gz ZUPWESJHWUABRF-JTQLQIEISA-N 0 0 389.355 2.637 20 5 GFBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739062515 602536656 /nfs/dbraw/zinc/53/66/56/602536656.db2.gz GTOOZPXMUHRUFV-NEPJUHHUSA-N 0 0 375.385 2.638 20 5 GFBDRN Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829881048 603724802 /nfs/dbraw/zinc/72/48/02/603724802.db2.gz PHPRZESRFICFPD-MLGOLLRUSA-N 0 0 378.429 2.600 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000834187100 605448324 /nfs/dbraw/zinc/44/83/24/605448324.db2.gz YHDWAHDKHICUEU-BPLDGKMQSA-N 0 0 387.396 2.513 20 5 GFBDRN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000833815938 605598316 /nfs/dbraw/zinc/59/83/16/605598316.db2.gz XXEZHXIQLHRCBW-UKRRQHHQSA-N 0 0 387.440 2.863 20 5 GFBDRN O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000826459474 607769970 /nfs/dbraw/zinc/76/99/70/607769970.db2.gz LFTPNGBSIPKEPP-UHFFFAOYSA-N 0 0 394.376 2.546 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3cc2-c2nn[nH]n2)cc1 ZINC000823639929 606031228 /nfs/dbraw/zinc/03/12/28/606031228.db2.gz MFKVGXVQNZVSSC-UHFFFAOYSA-N 0 0 376.380 2.847 20 5 GFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820562983 606143405 /nfs/dbraw/zinc/14/34/05/606143405.db2.gz KVUWGIPMXYSZEW-YBOJIHHZSA-N 0 0 386.437 2.710 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000823629656 606198685 /nfs/dbraw/zinc/19/86/85/606198685.db2.gz DIZHXLCASGIFJY-SWLSCSKDSA-N 0 0 386.437 2.929 20 5 GFBDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000822665652 606408297 /nfs/dbraw/zinc/40/82/97/606408297.db2.gz VHVZMERUOCVIQW-UHFFFAOYSA-N 0 0 390.359 3.000 20 5 GFBDRN Cc1ccnc(NC2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1[N+](=O)[O-] ZINC000822373818 606481355 /nfs/dbraw/zinc/48/13/55/606481355.db2.gz DBPDIXGJDMVFDX-UHFFFAOYSA-N 0 0 380.412 2.559 20 5 GFBDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000823103596 606510401 /nfs/dbraw/zinc/51/04/01/606510401.db2.gz JDJXLPMDFSHXAA-UHFFFAOYSA-N 0 0 390.306 2.558 20 5 GFBDRN CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913877 606588430 /nfs/dbraw/zinc/58/84/30/606588430.db2.gz LLKFYBRVOINBRI-BLLLJJGKSA-N 0 0 396.407 2.810 20 5 GFBDRN O=[N+]([O-])c1cc(NCc2ccnc(OCC(F)(F)F)c2)ccc1-c1nn[nH]n1 ZINC000823634158 606645153 /nfs/dbraw/zinc/64/51/53/606645153.db2.gz BGYXWZFTXBZVQI-UHFFFAOYSA-N 0 0 395.301 2.723 20 5 GFBDRN O=[N+]([O-])c1cc(NCc2cnn(Cc3ccccc3)c2)ccc1-c1nn[nH]n1 ZINC000823635514 606645477 /nfs/dbraw/zinc/64/54/77/606645477.db2.gz ZNDOXWSAWNALJX-UHFFFAOYSA-N 0 0 376.380 2.632 20 5 GFBDRN CN(Cc1cccc(C(F)(F)F)c1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821613384 606699419 /nfs/dbraw/zinc/69/94/19/606699419.db2.gz 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563575768 /nfs/dbraw/zinc/57/57/68/563575768.db2.gz PYPUBHLGPYFWKL-UHFFFAOYSA-N 0 0 392.256 2.829 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CC[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000432133851 563575797 /nfs/dbraw/zinc/57/57/97/563575797.db2.gz QKHYEPGSLFEVCV-LBPRGKRZSA-N 0 0 381.841 2.890 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(Br)ccn1 ZINC000432276424 563578602 /nfs/dbraw/zinc/57/86/02/563578602.db2.gz YAABSFQNAHOULD-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN O=C(NCc1cn2ccsc2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432691742 563590803 /nfs/dbraw/zinc/59/08/03/563590803.db2.gz BSIBDXHGYNHCMN-UHFFFAOYSA-N 0 0 381.211 2.997 20 5 GFBDRN CCCCOC[C@@H](O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000432733955 563591681 /nfs/dbraw/zinc/59/16/81/563591681.db2.gz MJEHSDBGTYTOJX-LLVKDONJSA-N 0 0 395.193 2.756 20 5 GFBDRN O=C1CCc2cc([N+](=O)[O-])c(NCCCn3cc(Br)cn3)cc2N1 ZINC000288165327 563631888 /nfs/dbraw/zinc/63/18/88/563631888.db2.gz IABGIRLQGZMIFM-UHFFFAOYSA-N 0 0 394.229 2.941 20 5 GFBDRN O=C(N[C@H]1CCCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000288484204 563644875 /nfs/dbraw/zinc/64/48/75/563644875.db2.gz RRXGABQRAQSIIV-NSHDSACASA-N 0 0 398.257 2.994 20 5 GFBDRN Cc1c(NC(=O)NCC[C@H](C)[S@@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000435330184 563648090 /nfs/dbraw/zinc/64/80/90/563648090.db2.gz SBACFEHHAQQQEX-QSIZCVBASA-N 0 0 392.275 2.944 20 5 GFBDRN Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Br)c1=O ZINC000412170720 563649642 /nfs/dbraw/zinc/64/96/42/563649642.db2.gz KMIUTHJIRLRKNA-QWHCGFSZSA-N 0 0 392.209 2.798 20 5 GFBDRN COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000412933927 563675451 /nfs/dbraw/zinc/67/54/51/563675451.db2.gz NZTLWXWZKUUMPD-HNNXBMFYSA-N 0 0 385.214 2.773 20 5 GFBDRN CCn1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289599987 563680060 /nfs/dbraw/zinc/68/00/60/563680060.db2.gz UVXGGLOZZRTXGC-UHFFFAOYSA-N 0 0 386.193 2.706 20 5 GFBDRN CNS(=O)(=O)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000413034419 563680854 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CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000362704711 563708375 /nfs/dbraw/zinc/70/83/75/563708375.db2.gz JRGBGNRZNGVWHZ-AWEZNQCLSA-N 0 0 381.523 2.970 20 5 GFBDRN CC(C)(CN1CCOCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000413951424 563711809 /nfs/dbraw/zinc/71/18/09/563711809.db2.gz CAFQJQCLCRBFCM-UHFFFAOYSA-N 0 0 387.889 2.567 20 5 GFBDRN CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290634092 563716345 /nfs/dbraw/zinc/71/63/45/563716345.db2.gz CWBGHKGVPHLFAM-QPUJVOFHSA-N 0 0 383.253 2.683 20 5 GFBDRN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290653341 563716793 /nfs/dbraw/zinc/71/67/93/563716793.db2.gz FDHRMFBWWNCBPR-ZETCQYMHSA-N 0 0 391.808 2.902 20 5 GFBDRN C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000290696819 563718584 /nfs/dbraw/zinc/71/85/84/563718584.db2.gz FTRJTEZVTIHJHL-VIFPVBQESA-N 0 0 384.230 2.991 20 5 GFBDRN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290750314 563719594 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2.778 20 5 GFBDRN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365198029 563776923 /nfs/dbraw/zinc/77/69/23/563776923.db2.gz PKVJBKMUKYZGAW-JOYOIKCWSA-N 0 0 383.223 2.807 20 5 GFBDRN C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000292258572 563779955 /nfs/dbraw/zinc/77/99/55/563779955.db2.gz KLTHYZIVCPMXAA-VFZGTOFNSA-N 0 0 375.208 2.922 20 5 GFBDRN Cc1ccc(Br)nc1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365293023 563780350 /nfs/dbraw/zinc/78/03/50/563780350.db2.gz TXLGDHMJMOAXLQ-NSHDSACASA-N 0 0 394.229 2.735 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC(F)(F)[C@@H](CO)C1 ZINC000292269597 563780827 /nfs/dbraw/zinc/78/08/27/563780827.db2.gz IRDMFPAYBNZING-MRVPVSSYSA-N 0 0 398.147 2.653 20 5 GFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN([C@H]2CCSC2)CC1 ZINC000365790756 563793474 /nfs/dbraw/zinc/79/34/74/563793474.db2.gz UVKFKLDIXZCUBF-LBPRGKRZSA-N 0 0 387.864 2.580 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](CO)Cc3ccccc32)ccc1Cl ZINC000366313765 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381.357 2.857 20 5 GFBDRN Cc1nn(CCC(=O)N[C@H](c2nccs2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000293891478 563827600 /nfs/dbraw/zinc/82/76/00/563827600.db2.gz JKQNAYVVADVACG-LLVKDONJSA-N 0 0 377.348 2.675 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC1)OCCCO2 ZINC000294063336 563830893 /nfs/dbraw/zinc/83/08/93/563830893.db2.gz LAWQRVNBOCACKU-UHFFFAOYSA-N 0 0 385.214 2.727 20 5 GFBDRN CS[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000294157669 563832286 /nfs/dbraw/zinc/83/22/86/563832286.db2.gz ANPRMVNHQXAVSX-SECBINFHSA-N 0 0 392.218 2.777 20 5 GFBDRN CO[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000416474377 563835227 /nfs/dbraw/zinc/83/52/27/563835227.db2.gz QWIVKKSRJKDPAG-SKDRFNHKSA-N 0 0 382.360 2.659 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCc1nccs1 ZINC000416481883 563835967 /nfs/dbraw/zinc/83/59/67/563835967.db2.gz CWOAWMNYZZAWCI-UHFFFAOYSA-N 0 0 395.384 2.981 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[C@@H]1CCOC1 ZINC000416492881 563838778 /nfs/dbraw/zinc/83/87/78/563838778.db2.gz BQVZWLORSFCZQV-SNVBAGLBSA-N 0 0 382.360 2.709 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cc(Br)cnc1Cl ZINC000294374862 563840304 /nfs/dbraw/zinc/84/03/04/563840304.db2.gz HKXYOMXHGAPQRQ-UHFFFAOYSA-N 0 0 389.593 2.736 20 5 GFBDRN C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416532119 563843840 /nfs/dbraw/zinc/84/38/40/563843840.db2.gz FPWJKPYBZDSHQR-NSHDSACASA-N 0 0 381.479 2.763 20 5 GFBDRN NC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000445187493 563845233 /nfs/dbraw/zinc/84/52/33/563845233.db2.gz NIMWAYDKPMNYMS-UHFFFAOYSA-N 0 0 388.174 2.909 20 5 GFBDRN COc1cccc2c1C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000416550398 563846810 /nfs/dbraw/zinc/84/68/10/563846810.db2.gz QTVDGJNQDXIDNI-LLVKDONJSA-N 0 0 382.825 2.703 20 5 GFBDRN CC(C)(CCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[N+](=O)[O-] ZINC000294576327 563847282 /nfs/dbraw/zinc/84/72/82/563847282.db2.gz UTPDHIRBKKHRQY-UHFFFAOYSA-N 0 0 375.256 2.873 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416560412 563848342 /nfs/dbraw/zinc/84/83/42/563848342.db2.gz MTEGFCJAPVTRKF-UHFFFAOYSA-N 0 0 383.495 2.717 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cn2ccsc2n1 ZINC000445681060 563852113 /nfs/dbraw/zinc/85/21/13/563852113.db2.gz BMBSLDUVIZFRHX-UHFFFAOYSA-N 0 0 395.238 2.925 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000445733719 563853281 /nfs/dbraw/zinc/85/32/81/563853281.db2.gz LPTOGNQDCMXPFI-KXUCPTDWSA-N 0 0 393.259 2.544 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)[C@H](C)O1 ZINC000445745110 563853730 /nfs/dbraw/zinc/85/37/30/563853730.db2.gz RAUHISYISUITKL-BBBLOLIVSA-N 0 0 393.259 2.544 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2C[C@H]3CCCC[C@H]32)c1 ZINC000368012418 563861188 /nfs/dbraw/zinc/86/11/88/563861188.db2.gz RZZHSUARFUNELK-BXKDBHETSA-N 0 0 375.244 2.920 20 5 GFBDRN COc1cccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000446358600 563863258 /nfs/dbraw/zinc/86/32/58/563863258.db2.gz YIMZUWQUPHNCIO-UHFFFAOYSA-N 0 0 394.225 2.662 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CC1 ZINC000447634457 563883496 /nfs/dbraw/zinc/88/34/96/563883496.db2.gz QGLUWUNWCGPLFN-UHFFFAOYSA-N 0 0 384.479 2.875 20 5 GFBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000447942515 563891856 /nfs/dbraw/zinc/89/18/56/563891856.db2.gz MUKWZIFYKVESKY-CQSZACIVSA-N 0 0 388.511 2.744 20 5 GFBDRN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nn(C)cc1Br ZINC000449482752 564188835 /nfs/dbraw/zinc/18/88/35/564188835.db2.gz CXXDNKLHHAZFHL-JTQLQIEISA-N 0 0 396.245 2.598 20 5 GFBDRN Nc1c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cccc1[N+](=O)[O-] ZINC000506665731 564208287 /nfs/dbraw/zinc/20/82/87/564208287.db2.gz PUKQJRNQDLQZPU-NSHDSACASA-N 0 0 396.172 2.942 20 5 GFBDRN CCO[C@@H](C)c1noc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)n1 ZINC000507621394 564235182 /nfs/dbraw/zinc/23/51/82/564235182.db2.gz XXDRNSOOHWNMPT-VIFPVBQESA-N 0 0 387.439 2.771 20 5 GFBDRN COc1ccccc1[C@@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000539989575 564235813 /nfs/dbraw/zinc/23/58/13/564235813.db2.gz ABDUAWZZPZEGAP-CQSZACIVSA-N 0 0 395.209 2.829 20 5 GFBDRN CNC(=O)c1cccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000507627639 564236047 /nfs/dbraw/zinc/23/60/47/564236047.db2.gz QQADEQFFSUMGFN-UHFFFAOYSA-N 0 0 380.447 2.650 20 5 GFBDRN COc1ccc([C@@H](OC)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000540069754 564239246 /nfs/dbraw/zinc/23/92/46/564239246.db2.gz IYVNRUXALYYFDY-BMIGLBTASA-N 0 0 386.451 2.719 20 5 GFBDRN CO[C@H]1COCC[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450691112 564244858 /nfs/dbraw/zinc/24/48/58/564244858.db2.gz IAALZJLKAADKAX-BONVTDFDSA-N 0 0 396.241 2.791 20 5 GFBDRN CC[C@H](CSC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000540321458 564245175 /nfs/dbraw/zinc/24/51/75/564245175.db2.gz RURYVPRFAXYBBT-MRVPVSSYSA-N 0 0 383.289 2.777 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nn(C)cc1Br ZINC000450730459 564245720 /nfs/dbraw/zinc/24/57/20/564245720.db2.gz WOBRZBMKTIEIGG-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN Cc1nn(C)c(NC[C@H](CO)Cc2cccc(Br)c2C)c1[N+](=O)[O-] ZINC000450888453 564253142 /nfs/dbraw/zinc/25/31/42/564253142.db2.gz MPNNPXVQVNMZGJ-GFCCVEGCSA-N 0 0 397.273 2.971 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CCc3ccncc32)cc1[N+](=O)[O-] ZINC000540697656 564255129 /nfs/dbraw/zinc/25/51/29/564255129.db2.gz GTPZCHMTKBVRFU-UHFFFAOYSA-N 0 0 398.238 2.812 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000473859249 564255491 /nfs/dbraw/zinc/25/54/91/564255491.db2.gz OCKOLEHQOCZAHT-TVQRCGJNSA-N 0 0 396.172 2.883 20 5 GFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccncc2Br)cc1OC ZINC000541068332 564265194 /nfs/dbraw/zinc/26/51/94/564265194.db2.gz XWYNNKNXWQPGJL-UHFFFAOYSA-N 0 0 396.197 2.834 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1C(F)(F)F ZINC000541113548 564266975 /nfs/dbraw/zinc/26/69/75/564266975.db2.gz ILZQUTUEZVVNLW-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN CCOC(=O)C1([S@](C)=O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451207166 564286495 /nfs/dbraw/zinc/28/64/95/564286495.db2.gz JAVZAEWNHHKJFT-VWLOTQADSA-N 0 0 388.873 2.524 20 5 GFBDRN Cc1cccc(C(=O)NCCNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000474771305 564289222 /nfs/dbraw/zinc/28/92/22/564289222.db2.gz GWDMTQDQUPHLDE-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN O=C(CN1Cc2ccccc2C1=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000565671347 564291202 /nfs/dbraw/zinc/29/12/02/564291202.db2.gz QRNMDKVGXLKXKW-UHFFFAOYSA-N 0 0 390.193 2.952 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465780 564300197 /nfs/dbraw/zinc/30/01/97/564300197.db2.gz TZVBJDZLNBTHKD-DGCLKSJQSA-N 0 0 395.257 2.534 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000542104368 564301467 /nfs/dbraw/zinc/30/14/67/564301467.db2.gz TYNXZPFUAHIVKZ-UHFFFAOYSA-N 0 0 384.154 2.831 20 5 GFBDRN COc1ccc(S(=O)(=O)NC[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000451611578 564331388 /nfs/dbraw/zinc/33/13/88/564331388.db2.gz JDSYYJVZGFZARL-NSHDSACASA-N 0 0 380.447 2.771 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451655587 564336236 /nfs/dbraw/zinc/33/62/36/564336236.db2.gz RGLIIFVVCNNLHW-SECBINFHSA-N 0 0 390.767 2.884 20 5 GFBDRN CCOC(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000543166662 564340764 /nfs/dbraw/zinc/34/07/64/564340764.db2.gz MBEGHYPEQJAICM-SECBINFHSA-N 0 0 378.834 2.519 20 5 GFBDRN Cn1ccnc1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000451693405 564341071 /nfs/dbraw/zinc/34/10/71/564341071.db2.gz YIFPSXVBVLCKJW-CYBMUJFWSA-N 0 0 384.845 2.754 20 5 GFBDRN CC(C)(CO)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000566924415 564349498 /nfs/dbraw/zinc/34/94/98/564349498.db2.gz QBTYFBPUNKMEKJ-HNNXBMFYSA-N 0 0 385.258 2.813 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451775148 564350488 /nfs/dbraw/zinc/35/04/88/564350488.db2.gz CQHWYLBPFOZFFP-UWVGGRQHSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1c(Br)c(NCCn2cnc3ccccc32)ncc1[N+](=O)[O-] ZINC000543450941 564351259 /nfs/dbraw/zinc/35/12/59/564351259.db2.gz JISOECJLXWNXDZ-UHFFFAOYSA-N 0 0 376.214 2.944 20 5 GFBDRN C[C@@H](O)C[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000544027597 564371339 /nfs/dbraw/zinc/37/13/39/564371339.db2.gz DMXPPQKUDFRVSB-RKDXNWHRSA-N 0 0 387.223 2.977 20 5 GFBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 ZINC000451971142 564374235 /nfs/dbraw/zinc/37/42/35/564374235.db2.gz UHOZDVHCZCVCIE-KBPBESRZSA-N 0 0 378.372 2.765 20 5 GFBDRN COCCCn1cnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511841121 564384198 /nfs/dbraw/zinc/38/41/98/564384198.db2.gz XJUMZEKZRBEETN-UHFFFAOYSA-N 0 0 385.833 2.607 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3c(C)ccc(Cl)c32)c([N+](=O)[O-])n1 ZINC000452060548 564387903 /nfs/dbraw/zinc/38/79/03/564387903.db2.gz MYSAGHMKNQKZQJ-UHFFFAOYSA-N 0 0 384.845 2.915 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)c1cccc(Cl)c1F ZINC000544598149 564389690 /nfs/dbraw/zinc/38/96/90/564389690.db2.gz CFZMVUNQHPOYLB-CYBMUJFWSA-N 0 0 388.804 2.708 20 5 GFBDRN COC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000452083378 564389713 /nfs/dbraw/zinc/38/97/13/564389713.db2.gz LJTWFEGIMUDPMM-GFCCVEGCSA-N 0 0 376.862 2.994 20 5 GFBDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000478110150 564395212 /nfs/dbraw/zinc/39/52/12/564395212.db2.gz LJVOGPVEOXFPHH-UHFFFAOYSA-N 0 0 393.241 2.895 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000478499221 564405138 /nfs/dbraw/zinc/40/51/38/564405138.db2.gz DLQIHBWCJDSTFO-UHFFFAOYSA-N 0 0 396.172 2.796 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(Cc2ccc(Br)c(F)c2)no1 ZINC000545144198 564410009 /nfs/dbraw/zinc/41/00/09/564410009.db2.gz IFCYYWIOUROVPK-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000478885151 564417121 /nfs/dbraw/zinc/41/71/21/564417121.db2.gz QYKITLXGNOIBHD-MWLCHTKSSA-N 0 0 382.360 2.955 20 5 GFBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H](O)C(F)F ZINC000452486528 564417976 /nfs/dbraw/zinc/41/79/76/564417976.db2.gz ZGYSSYMKXDLEIJ-WDEREUQCSA-N 0 0 381.173 2.800 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000478912899 564419205 /nfs/dbraw/zinc/41/92/05/564419205.db2.gz WAOZOOVJWYJTCT-MWLCHTKSSA-N 0 0 382.360 2.955 20 5 GFBDRN O=C(NCC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000452807429 564432386 /nfs/dbraw/zinc/43/23/86/564432386.db2.gz OTCZKONUUIOLBC-UHFFFAOYSA-N 0 0 375.194 2.853 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(c1ncc(I)cn1)C2 ZINC000545916030 564437765 /nfs/dbraw/zinc/43/77/65/564437765.db2.gz FBHJYRNUGPXGAG-UHFFFAOYSA-N 0 0 382.161 2.552 20 5 GFBDRN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452943725 564439061 /nfs/dbraw/zinc/43/90/61/564439061.db2.gz RJLWGIYSQVMCJR-HIFRSBDPSA-N 0 0 383.242 2.884 20 5 GFBDRN COCCO[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000514067096 564446120 /nfs/dbraw/zinc/44/61/20/564446120.db2.gz GSLIFWVQTUJNTO-GFCCVEGCSA-N 0 0 387.230 2.625 20 5 GFBDRN O=C(CN1CCO[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000514209710 564447562 /nfs/dbraw/zinc/44/75/62/564447562.db2.gz XEZXBBCKHFYXJY-ZIAGYGMSSA-N 0 0 384.230 2.549 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCc1nc(Cn2cc(Br)cn2)no1 ZINC000546448610 564456441 /nfs/dbraw/zinc/45/64/41/564456441.db2.gz SORONSFZDHABOK-UHFFFAOYSA-N 0 0 379.174 2.597 20 5 GFBDRN CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000514922511 564462074 /nfs/dbraw/zinc/46/20/74/564462074.db2.gz SVGVURRSDVQHJG-RISCZKNCSA-N 0 0 384.479 2.583 20 5 GFBDRN CC(C)O[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000569572111 564469812 /nfs/dbraw/zinc/46/98/12/564469812.db2.gz WEOSDWKHNNNCNH-LLVKDONJSA-N 0 0 382.360 2.802 20 5 GFBDRN Cn1ccc(CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])n1 ZINC000546887277 564472555 /nfs/dbraw/zinc/47/25/55/564472555.db2.gz OAWNOLWPXFFEBI-UHFFFAOYSA-N 0 0 376.214 2.716 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000480446578 564474524 /nfs/dbraw/zinc/47/45/24/564474524.db2.gz YTLKCJPBCMKTQQ-UHFFFAOYSA-N 0 0 399.213 2.989 20 5 GFBDRN O=C(N[C@@H]1CCC[C@@H]1F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000569731789 564475828 /nfs/dbraw/zinc/47/58/28/564475828.db2.gz YLLBXRYLJHTXAR-WDEREUQCSA-N 0 0 378.141 2.820 20 5 GFBDRN Cn1ccnc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000547146728 564478495 /nfs/dbraw/zinc/47/84/95/564478495.db2.gz RBIUIWHDEMTRJT-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)c3cc(Cl)ccc3F)C2)cc1 ZINC000569948462 564485192 /nfs/dbraw/zinc/48/51/92/564485192.db2.gz NWBZERGBFDFTHP-UHFFFAOYSA-N 0 0 386.788 2.839 20 5 GFBDRN C[C@H](NC(=O)NCc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000454354911 564507534 /nfs/dbraw/zinc/50/75/34/564507534.db2.gz FEYAUVAQMJOWJU-VIFPVBQESA-N 0 0 382.218 2.651 20 5 GFBDRN COCCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000481247564 564507618 /nfs/dbraw/zinc/50/76/18/564507618.db2.gz WZFGDLCTVNFWOU-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1Br ZINC000547725553 564508652 /nfs/dbraw/zinc/50/86/52/564508652.db2.gz XFLWGKHMZMKRRM-UHFFFAOYSA-N 0 0 382.170 2.735 20 5 GFBDRN CC(C)(C)c1csc(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)n1 ZINC000517092842 564524061 /nfs/dbraw/zinc/52/40/61/564524061.db2.gz KDUZXPURUPYTIV-UHFFFAOYSA-N 0 0 384.483 2.651 20 5 GFBDRN O=C(NC1(CF)CCC1)c1ccc([N+](=O)[O-])cc1I ZINC000571090519 564535481 /nfs/dbraw/zinc/53/54/81/564535481.db2.gz SRGHNTUQHPXJGJ-UHFFFAOYSA-N 0 0 378.141 2.821 20 5 GFBDRN CCN(Cc1ccccc1Br)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000482413491 564542835 /nfs/dbraw/zinc/54/28/35/564542835.db2.gz JPOMTSRRAFEBIA-UHFFFAOYSA-N 0 0 394.225 2.568 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000518365319 564551341 /nfs/dbraw/zinc/55/13/41/564551341.db2.gz 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ZINC000520311073 564601916 /nfs/dbraw/zinc/60/19/16/564601916.db2.gz MFELJDJIXHAWJR-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456400712 564605718 /nfs/dbraw/zinc/60/57/18/564605718.db2.gz HNHYWJOVDNSHMA-SFYZADRCSA-N 0 0 391.243 2.880 20 5 GFBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000485519523 564618583 /nfs/dbraw/zinc/61/85/83/564618583.db2.gz KEUDHHDQQHRPMT-VIFPVBQESA-N 0 0 386.246 2.733 20 5 GFBDRN Cn1cccc1C(=O)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000573138247 564624399 /nfs/dbraw/zinc/62/43/99/564624399.db2.gz LUCRNIDLBHVQQB-UHFFFAOYSA-N 0 0 391.181 2.901 20 5 GFBDRN CSc1cccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1[N+](=O)[O-] ZINC000485733331 564624686 /nfs/dbraw/zinc/62/46/86/564624686.db2.gz RVVXYQRJLZMFNH-UHFFFAOYSA-N 0 0 398.491 2.911 20 5 GFBDRN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485761068 564625081 /nfs/dbraw/zinc/62/50/81/564625081.db2.gz VTRBNCSZADYKFN-VXNVDRBHSA-N 0 0 391.243 2.833 20 5 GFBDRN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OC ZINC000550642242 564628034 /nfs/dbraw/zinc/62/80/34/564628034.db2.gz UYPYRGWRRYPSPH-SDBXPKJASA-N 0 0 387.230 2.983 20 5 GFBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000486018290 564635838 /nfs/dbraw/zinc/63/58/38/564635838.db2.gz OZBFTGZQACIHHE-UHFFFAOYSA-N 0 0 382.203 2.648 20 5 GFBDRN CSc1cccc(C(=O)N(C)c2cccc(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000486418397 564651543 /nfs/dbraw/zinc/65/15/43/564651543.db2.gz LKMALJLFELOSKQ-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552122080 564678071 /nfs/dbraw/zinc/67/80/71/564678071.db2.gz HSKXMOUDTSUEJU-UHFFFAOYSA-N 0 0 392.209 2.965 20 5 GFBDRN COc1ccc(Cl)c(S(=O)(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524290197 564679648 /nfs/dbraw/zinc/67/96/48/564679648.db2.gz QTRKAHJWAKJHSM-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000487291049 564681532 /nfs/dbraw/zinc/68/15/32/564681532.db2.gz KWQVDFYFZRKMNH-LLVKDONJSA-N 0 0 379.214 2.694 20 5 GFBDRN CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000487296905 564681536 /nfs/dbraw/zinc/68/15/36/564681536.db2.gz PIRDATXIZBMTPT-UHFFFAOYSA-N 0 0 386.817 2.751 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000574665137 564683147 /nfs/dbraw/zinc/68/31/47/564683147.db2.gz QPQTXRYUASMLMZ-DOMZBBRYSA-N 0 0 386.857 2.746 20 5 GFBDRN CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000487431548 564687690 /nfs/dbraw/zinc/68/76/90/564687690.db2.gz QWOLZZUGVWEINS-GFCCVEGCSA-N 0 0 393.241 2.917 20 5 GFBDRN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000524856571 564688897 /nfs/dbraw/zinc/68/88/97/564688897.db2.gz ULFDRURNGZJRAA-UHFFFAOYSA-N 0 0 382.825 2.924 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000525307849 564697937 /nfs/dbraw/zinc/69/79/37/564697937.db2.gz ICDCTQWVKPPDRB-UHFFFAOYSA-N 0 0 393.755 2.723 20 5 GFBDRN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000525381737 564700188 /nfs/dbraw/zinc/70/01/88/564700188.db2.gz YWVFHBPAHQHDKT-YPMHNXCESA-N 0 0 382.463 2.895 20 5 GFBDRN CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000488689627 564717521 /nfs/dbraw/zinc/71/75/21/564717521.db2.gz RGQWSZBTWSKEBB-LBPRGKRZSA-N 0 0 382.360 2.544 20 5 GFBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000488813853 564720736 /nfs/dbraw/zinc/72/07/36/564720736.db2.gz IOTPWLPWIRKMSU-IINYFYTJSA-N 0 0 387.230 2.623 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000488973511 564725146 /nfs/dbraw/zinc/72/51/46/564725146.db2.gz AIQZETBEYIZQLY-WBIUFABUSA-N 0 0 386.857 2.748 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(NCc3cc(F)c(F)cc3Br)nn21 ZINC000553729446 564733239 /nfs/dbraw/zinc/73/32/39/564733239.db2.gz PWRANUMNWYNSFB-UHFFFAOYSA-N 0 0 384.140 2.712 20 5 GFBDRN CCNC(=O)C1(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000489312721 564734900 /nfs/dbraw/zinc/73/49/00/564734900.db2.gz HBGWPEAGBKEHRX-UHFFFAOYSA-N 0 0 398.257 2.702 20 5 GFBDRN CN(CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br)CC(F)F ZINC000527259010 564735668 /nfs/dbraw/zinc/73/56/68/564735668.db2.gz KACYGZOPTCHAEP-UHFFFAOYSA-N 0 0 380.189 2.626 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000490506237 564774066 /nfs/dbraw/zinc/77/40/66/564774066.db2.gz WDZNDDWGOAMRHV-BZNIZROVSA-N 0 0 382.463 2.946 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CS(=O)(=O)CC2CC2)c1 ZINC000580807644 564774842 /nfs/dbraw/zinc/77/48/42/564774842.db2.gz QWMCTLFJBCPTLV-UHFFFAOYSA-N 0 0 381.191 2.524 20 5 GFBDRN CCc1cnc(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)s1 ZINC000580850505 564776466 /nfs/dbraw/zinc/77/64/66/564776466.db2.gz LAERXMMWTZOGJF-UHFFFAOYSA-N 0 0 376.467 2.945 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1sccc1C ZINC000555286066 564789018 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C[C@@H]1CCN(C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150552 564824070 /nfs/dbraw/zinc/82/40/70/564824070.db2.gz MMQZSJIVYQTLAE-SECBINFHSA-N 0 0 382.269 2.616 20 5 GFBDRN COCC[C@@H](C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000556831552 564842921 /nfs/dbraw/zinc/84/29/21/564842921.db2.gz UJIXLKBYPDUJFF-SECBINFHSA-N 0 0 392.193 2.602 20 5 GFBDRN C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000462543851 564846208 /nfs/dbraw/zinc/84/62/08/564846208.db2.gz BHENFLFPPUCXAX-JTQLQIEISA-N 0 0 396.296 2.912 20 5 GFBDRN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000462896482 564862051 /nfs/dbraw/zinc/86/20/51/564862051.db2.gz OFUKARCDYQRXNV-AWEZNQCLSA-N 0 0 385.829 2.695 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000558072203 564890994 /nfs/dbraw/zinc/89/09/94/564890994.db2.gz SVDBOJZMFHCJII-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN CS(=O)(=O)NC[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498851633 564910681 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GFBDRN CC[S@](=O)[C@H]1CCC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271417876 655080562 /nfs/dbraw/zinc/08/05/62/655080562.db2.gz QLBMCUSMMWFFKT-IMXIGIQMSA-N 0 0 380.513 2.552 20 5 GFBDRN Cc1c(NC(=O)C(=O)NCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000106971953 655116262 /nfs/dbraw/zinc/11/62/62/655116262.db2.gz AIUYKWWHMCRVLG-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN CCOCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000107490544 655121569 /nfs/dbraw/zinc/12/15/69/655121569.db2.gz JKORRJXFQFWRLM-UHFFFAOYSA-N 0 0 392.193 2.698 20 5 GFBDRN CC(C)N(CCS(C)(=O)=O)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272965788 655126756 /nfs/dbraw/zinc/12/67/56/655126756.db2.gz GNKZNBKLOIKBHD-UHFFFAOYSA-N 0 0 394.902 2.622 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CCCO)CC1 ZINC000273021575 655127820 /nfs/dbraw/zinc/12/78/20/655127820.db2.gz SEZYKNHISMLPDF-UHFFFAOYSA-N 0 0 376.862 2.730 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(CCCO)CC2)c1 ZINC000273059301 655129112 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C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](c2ccc(F)cc2)O1 ZINC000173423561 655171464 /nfs/dbraw/zinc/17/14/64/655171464.db2.gz ASGMWMRIEJDSMH-GXFFZTMASA-N 0 0 386.426 2.946 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839594789 661094455 /nfs/dbraw/zinc/09/44/55/661094455.db2.gz YGKBWYBZICPIMP-GFCCVEGCSA-N 0 0 391.287 2.756 20 5 GFBDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839601820 661094896 /nfs/dbraw/zinc/09/48/96/661094896.db2.gz UAQSBLPZQGULIM-PRHODGIISA-N 0 0 381.738 2.838 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCc1ccc(Cl)cc1Cl ZINC000173990547 655188601 /nfs/dbraw/zinc/18/86/01/655188601.db2.gz OZZAZBRUFANCMJ-UHFFFAOYSA-N 0 0 384.219 2.812 20 5 GFBDRN O=C(OC[C@@H]1CC1(Cl)Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000113491935 655211130 /nfs/dbraw/zinc/21/11/30/655211130.db2.gz TYAJVMHIAPATOA-DTWKUNHWSA-N 0 0 377.180 2.529 20 5 GFBDRN C[C@H]1CN=C(N2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)S1 ZINC000839519476 661089851 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NC(=O)CCCOC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000177058841 655266434 /nfs/dbraw/zinc/26/64/34/655266434.db2.gz GNYAHWHWUKXCRP-UHFFFAOYSA-N 0 0 387.179 2.510 20 5 GFBDRN C[C@@H]1SCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000118441462 655276439 /nfs/dbraw/zinc/27/64/39/655276439.db2.gz NWAAVDIRQMHWSF-IUCAKERBSA-N 0 0 395.300 2.872 20 5 GFBDRN CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119036062 655287478 /nfs/dbraw/zinc/28/74/78/655287478.db2.gz UUDDQGBETDXSTG-UHFFFAOYSA-N 0 0 389.842 2.779 20 5 GFBDRN O=C(NC1CCOCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000119046879 655287739 /nfs/dbraw/zinc/28/77/39/655287739.db2.gz SYPMEBYSPOCZBI-UHFFFAOYSA-N 0 0 385.207 2.996 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000177813366 655289196 /nfs/dbraw/zinc/28/91/96/655289196.db2.gz UVFZPILXHUVKCE-NSHDSACASA-N 0 0 379.218 2.623 20 5 GFBDRN COCCCNC(=O)[C@H](C)Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000119171792 655291760 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2.531 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1noc(-c2ccccc2)n1 ZINC000120179733 655330506 /nfs/dbraw/zinc/33/05/06/655330506.db2.gz IHPQAWXNXNWNNM-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN CC(C)(C)c1nc(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)cs1 ZINC000120212322 655331412 /nfs/dbraw/zinc/33/14/12/655331412.db2.gz QGSCRTZPSIKKBV-UHFFFAOYSA-N 0 0 375.497 2.931 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000120253305 655332692 /nfs/dbraw/zinc/33/26/92/655332692.db2.gz CPVMTHRJMSULRY-IUODEOHRSA-N 0 0 383.242 2.927 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)F)C2CC2)ccc1Br ZINC000120433078 655335819 /nfs/dbraw/zinc/33/58/19/655335819.db2.gz BBEFAVXKFSNDHX-UHFFFAOYSA-N 0 0 385.186 2.776 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)c(Cl)cc1Cl ZINC000289250796 655344893 /nfs/dbraw/zinc/34/48/93/655344893.db2.gz AYLKMWVMUFASBO-CMPLNLGQSA-N 0 0 381.237 2.844 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000121128040 655347879 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Cn1nccc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000375369775 563401957 /nfs/dbraw/zinc/40/19/57/563401957.db2.gz ZGVRCZCFZNILIG-IAQYHMDHSA-N 0 0 394.229 2.523 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301421940 563403130 /nfs/dbraw/zinc/40/31/30/563403130.db2.gz CYTWGOQCRZQCKI-CHWSQXEVSA-N 0 0 387.527 2.956 20 5 GFBDRN COc1ccc(CNS(=O)(=O)CCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000425158275 563406662 /nfs/dbraw/zinc/40/66/62/563406662.db2.gz QJACYHCFRKZHKP-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN O=C1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CN1c1ccccc1 ZINC000301541838 563406726 /nfs/dbraw/zinc/40/67/26/563406726.db2.gz OEEHROOFLNABSB-JTQLQIEISA-N 0 0 377.198 2.970 20 5 GFBDRN CC(C)(CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000301561064 563407119 /nfs/dbraw/zinc/40/71/19/563407119.db2.gz UICKMDFFQVZJQT-UHFFFAOYSA-N 0 0 385.320 2.757 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375521643 563407944 /nfs/dbraw/zinc/40/79/44/563407944.db2.gz DMVZHCAJCCPJTR-JSGCOSHPSA-N 0 0 397.229 2.536 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000425188131 563409286 /nfs/dbraw/zinc/40/92/86/563409286.db2.gz AOKIBAYLSOTNBM-UHFFFAOYSA-N 0 0 376.381 2.576 20 5 GFBDRN COc1ccc(OC)c([C@H](O)CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000301840132 563413003 /nfs/dbraw/zinc/41/30/03/563413003.db2.gz OQBCRLHAQPHOHZ-CYBMUJFWSA-N 0 0 398.213 2.915 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CCCN(CC(F)F)CC2)cc1Cl ZINC000301861702 563414130 /nfs/dbraw/zinc/41/41/30/563414130.db2.gz AGOAHQLRDJKGQL-UHFFFAOYSA-N 0 0 377.775 2.812 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CCC(OC2CCOCC2)CC1 ZINC000301841068 563414282 /nfs/dbraw/zinc/41/42/82/563414282.db2.gz BKYMCALLODGHEU-UHFFFAOYSA-N 0 0 386.246 2.917 20 5 GFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000282534107 563414641 /nfs/dbraw/zinc/41/46/41/563414641.db2.gz CTRMABOJCGXLIM-UHFFFAOYSA-N 0 0 382.295 2.602 20 5 GFBDRN O=c1[nH]c2ccccc2n1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301905734 563415573 /nfs/dbraw/zinc/41/55/73/563415573.db2.gz YTJAEUMTKXXIQF-UHFFFAOYSA-N 0 0 378.186 2.507 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000375709571 563415592 /nfs/dbraw/zinc/41/55/92/563415592.db2.gz AWCBJUCOGKLBFW-LLVKDONJSA-N 0 0 382.829 2.607 20 5 GFBDRN C[C@H]1Cc2ccccc2N1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301942886 563416608 /nfs/dbraw/zinc/41/66/08/563416608.db2.gz XQJBEYDDQAUHNT-NSHDSACASA-N 0 0 381.479 2.923 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCN(c3sccc3[N+](=O)[O-])CC2)cc1C ZINC000302006025 563418310 /nfs/dbraw/zinc/41/83/10/563418310.db2.gz VJXYXUMPSRGOQA-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCO[C@@H]2CCC[C@@H]21 ZINC000375815684 563418969 /nfs/dbraw/zinc/41/89/69/563418969.db2.gz PZVIXBAIEFDIMF-GXTWGEPZSA-N 0 0 376.381 2.739 20 5 GFBDRN O=C([C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000302032157 563419142 /nfs/dbraw/zinc/41/91/42/563419142.db2.gz NSJSDWYHEGBEEY-LLVKDONJSA-N 0 0 388.251 2.977 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(Br)cs1 ZINC000302070378 563419912 /nfs/dbraw/zinc/41/99/12/563419912.db2.gz DWKCMIUXFYPRQD-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425400817 563421052 /nfs/dbraw/zinc/42/10/52/563421052.db2.gz GGTRQUWPONZPCT-ZJUUUORDSA-N 0 0 379.276 2.611 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(NCc3cc(Br)cc4c3OCC4)nn21 ZINC000302173102 563422660 /nfs/dbraw/zinc/42/26/60/563422660.db2.gz NCCBCQJXAWTVKA-UHFFFAOYSA-N 0 0 390.197 2.947 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ncn(-c3ccccc3)n2)s1 ZINC000302198271 563422728 /nfs/dbraw/zinc/42/27/28/563422728.db2.gz UCWVFGOASRSNKD-UHFFFAOYSA-N 0 0 382.448 2.792 20 5 GFBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462076 563423691 /nfs/dbraw/zinc/42/36/91/563423691.db2.gz VYMIYRTVPOTUSC-SWLSCSKDSA-N 0 0 384.274 2.652 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425496664 563425598 /nfs/dbraw/zinc/42/55/98/563425598.db2.gz VMJJHHHYEFEWNM-ZDUSSCGKSA-N 0 0 391.287 2.756 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302718703 563428511 /nfs/dbraw/zinc/42/85/11/563428511.db2.gz KNPOCSMSBDWYHO-CYBMUJFWSA-N 0 0 387.527 2.815 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000425812648 563438632 /nfs/dbraw/zinc/43/86/32/563438632.db2.gz OTGKKDAQMWJLMJ-QWHCGFSZSA-N 0 0 382.214 2.601 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000319255570 563444887 /nfs/dbraw/zinc/44/48/87/563444887.db2.gz CADBXLOIYLKIHH-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN Cc1c(N[C@H]2CCN(C3CCOCC3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000376587811 563447532 /nfs/dbraw/zinc/44/75/32/563447532.db2.gz SRMMPVUVLALQKG-ZDUSSCGKSA-N 0 0 398.257 2.858 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCO[C@H](c2ccccc2)C1 ZINC000326364112 563455260 /nfs/dbraw/zinc/45/52/60/563455260.db2.gz XVRHHNGEIQYHDL-AWEZNQCLSA-N 0 0 392.209 2.966 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1cccs1 ZINC000326804180 563455664 /nfs/dbraw/zinc/45/56/64/563455664.db2.gz CYUHRQJDQHBHMS-GFCCVEGCSA-N 0 0 384.435 2.873 20 5 GFBDRN COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000326867143 563456540 /nfs/dbraw/zinc/45/65/40/563456540.db2.gz XKONKKTXSKKBDB-LLVKDONJSA-N 0 0 390.845 2.663 20 5 GFBDRN CN(c1nnc(-c2ccccc2)s1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376953433 563459346 /nfs/dbraw/zinc/45/93/46/563459346.db2.gz FQJAWNHPQSRWGU-UHFFFAOYSA-N 0 0 382.448 3.000 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(Br)cc32)n1 ZINC000427322852 563465699 /nfs/dbraw/zinc/46/56/99/563465699.db2.gz HDAANEFHFCRRIR-UHFFFAOYSA-N 0 0 381.186 2.613 20 5 GFBDRN COC(=O)CCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284336136 563470776 /nfs/dbraw/zinc/47/07/76/563470776.db2.gz CGBUPPIAIGDOEQ-UHFFFAOYSA-N 0 0 385.214 2.585 20 5 GFBDRN COc1cc(OC)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1Br ZINC000428110764 563482989 /nfs/dbraw/zinc/48/29/89/563482989.db2.gz IKXIQNSYGSSIRI-UHFFFAOYSA-N 0 0 385.174 2.658 20 5 GFBDRN COC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H](C)O1 ZINC000284687197 563486225 /nfs/dbraw/zinc/48/62/25/563486225.db2.gz NNKLKTCFNHCPIJ-SKDRFNHKSA-N 0 0 387.230 2.542 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000377871718 563489226 /nfs/dbraw/zinc/48/92/26/563489226.db2.gz YUTDBHTXSFEBTC-HNNXBMFYSA-N 0 0 379.825 2.552 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cccc1[N+](=O)[O-] ZINC000285016795 563498661 /nfs/dbraw/zinc/49/86/61/563498661.db2.gz CQHLJWZYJWSETF-SWLSCSKDSA-N 0 0 386.235 2.884 20 5 GFBDRN CC[C@]1(C)COCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000330639759 563514726 /nfs/dbraw/zinc/51/47/26/563514726.db2.gz PPSKFVIOAWFPGB-CYBMUJFWSA-N 0 0 393.259 2.547 20 5 GFBDRN COCC1(C)CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000330654470 563516169 /nfs/dbraw/zinc/51/61/69/563516169.db2.gz MYIVENOZFWRMFD-UHFFFAOYSA-N 0 0 376.862 2.994 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000285501847 563524496 /nfs/dbraw/zinc/52/44/96/563524496.db2.gz FCQQOPMEFNZTPJ-NWDGAFQWSA-N 0 0 378.809 2.719 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331052530 563532996 /nfs/dbraw/zinc/53/29/96/563532996.db2.gz YWBVGENNYVDQQS-IINYFYTJSA-N 0 0 378.372 2.991 20 5 GFBDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000331073673 563533886 /nfs/dbraw/zinc/53/38/86/563533886.db2.gz UICPFZDSXISMKH-MFKMUULPSA-N 0 0 386.246 2.556 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286093947 563548545 /nfs/dbraw/zinc/54/85/45/563548545.db2.gz FBCYLLSHDXIXAJ-PWSUYJOCSA-N 0 0 380.750 2.810 20 5 GFBDRN C[C@@]12CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000286111470 563549011 /nfs/dbraw/zinc/54/90/11/563549011.db2.gz 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ZINC000409733960 563570132 /nfs/dbraw/zinc/57/01/32/563570132.db2.gz TYBLVCIKIGZNKI-UHFFFAOYSA-N 0 0 380.177 2.775 20 5 GFBDRN Cc1ccc(Br)c2c1N(C(=O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000332013920 563571345 /nfs/dbraw/zinc/57/13/45/563571345.db2.gz YNVDRBVCVVHGAR-UHFFFAOYSA-N 0 0 379.214 2.842 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1C ZINC000432754038 563592546 /nfs/dbraw/zinc/59/25/46/563592546.db2.gz XWMWAOYYSOVZJU-UHFFFAOYSA-N 0 0 382.170 2.735 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(F)c(Cl)cc1F ZINC000432934542 563597489 /nfs/dbraw/zinc/59/74/89/563597489.db2.gz VCJOIWYYJHXUJT-UHFFFAOYSA-N 0 0 377.756 2.786 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433071948 563601599 /nfs/dbraw/zinc/60/15/99/563601599.db2.gz LZKQCERZEORFCJ-CYBMUJFWSA-N 0 0 393.237 2.938 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[S@]1=O ZINC000287551934 563607217 /nfs/dbraw/zinc/60/72/17/563607217.db2.gz WINXVFNDUOWDTM-BCFOBXKBSA-N 0 0 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/nfs/dbraw/zinc/23/16/31/564231631.db2.gz UREJIEDFZDFVHH-UHFFFAOYSA-N 0 0 380.813 2.683 20 5 GFBDRN O=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000539934568 564233705 /nfs/dbraw/zinc/23/37/05/564233705.db2.gz SIYFEJKAXIHIDA-UHFFFAOYSA-N 0 0 375.435 2.898 20 5 GFBDRN O=C(Nc1ccncc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564426386 564234002 /nfs/dbraw/zinc/23/40/02/564234002.db2.gz AZQUZXRKVSLUJJ-UHFFFAOYSA-N 0 0 393.197 2.601 20 5 GFBDRN Cn1cc(Br)c(=O)c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000450583357 564239722 /nfs/dbraw/zinc/23/97/22/564239722.db2.gz SBCRLZIDGQZHCW-UHFFFAOYSA-N 0 0 394.225 2.972 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCc1nnc(C2CC2)[nH]1 ZINC000450630871 564241962 /nfs/dbraw/zinc/24/19/62/564241962.db2.gz YVVMXOHHSJGIIL-UHFFFAOYSA-N 0 0 385.165 2.807 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000540242536 564243233 /nfs/dbraw/zinc/24/32/33/564243233.db2.gz KPXRKMOBAJYISD-OQPBUACISA-N 0 0 383.202 2.586 20 5 GFBDRN COCCO[C@@H]1COCC[C@@H]1Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473514904 564249290 /nfs/dbraw/zinc/24/92/90/564249290.db2.gz ZEHBXDQGYRHYOK-SWLSCSKDSA-N 0 0 389.246 2.898 20 5 GFBDRN Cn1cc(I)c(CNc2c3c(ccc2[N+](=O)[O-])NCC3)n1 ZINC000450840855 564250288 /nfs/dbraw/zinc/25/02/88/564250288.db2.gz ANKGGHJFTFHDIU-UHFFFAOYSA-N 0 0 399.192 2.513 20 5 GFBDRN Cc1nn(C)c(NC[C@@H](CO)Cc2ccc(C)c(Br)c2)c1[N+](=O)[O-] ZINC000450845366 564251181 /nfs/dbraw/zinc/25/11/81/564251181.db2.gz MWEJHZBNKMPIJF-ZDUSSCGKSA-N 0 0 397.273 2.971 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000450869566 564252138 /nfs/dbraw/zinc/25/21/38/564252138.db2.gz XWACIZWYBRBMLY-HZMBPMFUSA-N 0 0 383.451 2.636 20 5 GFBDRN Cc1cc(N2CCC[C@H](NC(=O)N(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000450924784 564256319 /nfs/dbraw/zinc/25/63/19/564256319.db2.gz ONRMEJCVXPAQEP-NSHDSACASA-N 0 0 385.262 2.906 20 5 GFBDRN Cn1cc(C(=O)COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])cn1 ZINC000508160456 564256384 /nfs/dbraw/zinc/25/63/84/564256384.db2.gz IJHQTHZTPQKTTP-UHFFFAOYSA-N 0 0 391.181 2.901 20 5 GFBDRN COc1cc(NCCNS(=O)(=O)c2ccc(C)s2)c(F)cc1[N+](=O)[O-] ZINC000508265871 564259262 /nfs/dbraw/zinc/25/92/62/564259262.db2.gz OTHHFAPMOMRTOU-UHFFFAOYSA-N 0 0 389.430 2.503 20 5 GFBDRN CCS(=O)(=O)N1CC(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000565111377 564266786 /nfs/dbraw/zinc/26/67/86/564266786.db2.gz KCLYVSCXNZAGBL-UHFFFAOYSA-N 0 0 381.376 2.615 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N(CCO)C1CCSCC1 ZINC000565201853 564270837 /nfs/dbraw/zinc/27/08/37/564270837.db2.gz PWOZRESWXWUYPD-UHFFFAOYSA-N 0 0 389.271 2.687 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2noc(-c3ccsc3)n2)cc1[N+](=O)[O-] ZINC000541289472 564273190 /nfs/dbraw/zinc/27/31/90/564273190.db2.gz AVLDNUKXUIEQGP-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000474289505 564273619 /nfs/dbraw/zinc/27/36/19/564273619.db2.gz BENIIWFMFKKJJA-GFCCVEGCSA-N 0 0 384.797 2.669 20 5 GFBDRN CO[C@H](COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000509101153 564281355 /nfs/dbraw/zinc/28/13/55/564281355.db2.gz XETBLVKGDFBBLR-OAHLLOKOSA-N 0 0 386.813 2.662 20 5 GFBDRN CCCN(C(=O)[C@@H](C)Sc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000509091214 564281410 /nfs/dbraw/zinc/28/14/10/564281410.db2.gz WNCXRUAAWYRQLN-OCCSQVGLSA-N 0 0 386.495 2.501 20 5 GFBDRN Cc1c(Br)c(N2CCN(Cc3cscn3)CC2)ncc1[N+](=O)[O-] ZINC000541576330 564284298 /nfs/dbraw/zinc/28/42/98/564284298.db2.gz FBFMERYFYQCKGE-UHFFFAOYSA-N 0 0 398.286 2.839 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@H](C)[C@H](O)C3)cc2[N+](=O)[O-])n1 ZINC000509312309 564292602 /nfs/dbraw/zinc/29/26/02/564292602.db2.gz ZUXBKLXFKHGXFF-TVQRCGJNSA-N 0 0 379.463 2.964 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccsc2Br)s1 ZINC000509335658 564293474 /nfs/dbraw/zinc/29/34/74/564293474.db2.gz GHIPSQYNHRYQIU-UHFFFAOYSA-N 0 0 383.270 2.959 20 5 GFBDRN Cc1c(Br)c(N(C)CC(=O)NCc2cccs2)ncc1[N+](=O)[O-] ZINC000542505075 564315940 /nfs/dbraw/zinc/31/59/40/564315940.db2.gz RHHMYTJKUMYQGR-UHFFFAOYSA-N 0 0 399.270 2.875 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000509926496 564317860 /nfs/dbraw/zinc/31/78/60/564317860.db2.gz GYAYMHFSHMMENO-SNVBAGLBSA-N 0 0 379.214 2.700 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475773899 564319056 /nfs/dbraw/zinc/31/90/56/564319056.db2.gz NHRHNQDABFPUSJ-UHFFFAOYSA-N 0 0 381.179 2.923 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000542719021 564323069 /nfs/dbraw/zinc/32/30/69/564323069.db2.gz XGXSIBJWOQVUTG-ZETCQYMHSA-N 0 0 385.193 2.946 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N2CCc3ccc(Cl)cc32)cc([N+](=O)[O-])c1 ZINC000476142628 564328633 /nfs/dbraw/zinc/32/86/33/564328633.db2.gz IFGZWDCLYJSYHD-UHFFFAOYSA-N 0 0 380.809 2.855 20 5 GFBDRN O=C(COc1cccc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476208788 564330313 /nfs/dbraw/zinc/33/03/13/564330313.db2.gz VZCIFRYZRDDWNZ-UHFFFAOYSA-N 0 0 392.209 2.716 20 5 GFBDRN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000476319984 564335239 /nfs/dbraw/zinc/33/52/39/564335239.db2.gz LQBWMMFIXGSEML-IUCAKERBSA-N 0 0 379.360 2.576 20 5 GFBDRN CC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000543148767 564339899 /nfs/dbraw/zinc/33/98/99/564339899.db2.gz JQYOJXLBNRONCD-LLVKDONJSA-N 0 0 386.246 2.619 20 5 GFBDRN COCC1=CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000476589389 564346661 /nfs/dbraw/zinc/34/66/61/564346661.db2.gz USKYFLMNXGLXJK-UHFFFAOYSA-N 0 0 381.237 2.869 20 5 GFBDRN Cc1cn2c(n1)[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)CCC2 ZINC000543436897 564350524 /nfs/dbraw/zinc/35/05/24/564350524.db2.gz CBVDOVLREUKPLL-NSHDSACASA-N 0 0 380.246 2.977 20 5 GFBDRN Cc1cc(CN2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)on1 ZINC000543436054 564350545 /nfs/dbraw/zinc/35/05/45/564350545.db2.gz JSNFLWOSFIGDFN-UHFFFAOYSA-N 0 0 396.245 2.679 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000566947465 564350628 /nfs/dbraw/zinc/35/06/28/564350628.db2.gz QYPWEHFXPQGEJJ-LRDDRELGSA-N 0 0 378.226 2.752 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000451970417 564374052 /nfs/dbraw/zinc/37/40/52/564374052.db2.gz YCJOYPNCCDGRNK-HIFRSBDPSA-N 0 0 382.463 2.996 20 5 GFBDRN CN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000511804171 564383228 /nfs/dbraw/zinc/38/32/28/564383228.db2.gz CAVYMWGDGHLCTJ-UHFFFAOYSA-N 0 0 397.172 2.867 20 5 GFBDRN Cc1c(Br)c(NC[C@H](CO)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000544392948 564384774 /nfs/dbraw/zinc/38/47/74/564384774.db2.gz JUMVZUIHEOBXTL-CYBMUJFWSA-N 0 0 380.242 2.746 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](Cn3ccnn3)C2)ncc1[N+](=O)[O-] ZINC000544393644 564384823 /nfs/dbraw/zinc/38/48/23/564384823.db2.gz FKHMTMPYEYBBOP-NSHDSACASA-N 0 0 381.234 2.569 20 5 GFBDRN Cc1cc(Cl)cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000544481209 564386986 /nfs/dbraw/zinc/38/69/86/564386986.db2.gz BYWNHFZQMJLCKL-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN CO[C@@H](C)c1nc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000544655492 564392209 /nfs/dbraw/zinc/39/22/09/564392209.db2.gz RMBNGLKZKLRXCF-NSHDSACASA-N 0 0 385.467 2.854 20 5 GFBDRN COc1cc(F)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000512170295 564395101 /nfs/dbraw/zinc/39/51/01/564395101.db2.gz KLQNFGACOCZPSF-MRVPVSSYSA-N 0 0 390.414 2.852 20 5 GFBDRN CSc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000478698731 564411556 /nfs/dbraw/zinc/41/15/56/564411556.db2.gz GWICQXRSJIGSDT-UHFFFAOYSA-N 0 0 380.447 2.650 20 5 GFBDRN CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)s1 ZINC000478895242 564418359 /nfs/dbraw/zinc/41/83/59/564418359.db2.gz WBXDXBBFVCSGDJ-UHFFFAOYSA-N 0 0 387.414 2.911 20 5 GFBDRN CS(=O)(=O)c1ccc(N[C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000513064253 564419082 /nfs/dbraw/zinc/41/90/82/564419082.db2.gz LDTXZNICVAUSSG-CYBMUJFWSA-N 0 0 388.804 2.936 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000452530224 564419105 /nfs/dbraw/zinc/41/91/05/564419105.db2.gz IDQVURQMSDSSDH-UHFFFAOYSA-N 0 0 375.332 2.813 20 5 GFBDRN CC[C@H](CC(F)(F)F)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000545498130 564426278 /nfs/dbraw/zinc/42/62/78/564426278.db2.gz WJPVSABZZYOSQJ-MRVPVSSYSA-N 0 0 381.738 2.825 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000513480379 564430980 /nfs/dbraw/zinc/43/09/80/564430980.db2.gz BBIIVGORIXHMIB-GFCCVEGCSA-N 0 0 378.431 2.575 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000479585371 564444858 /nfs/dbraw/zinc/44/48/58/564444858.db2.gz AZARPFYOLCOOPW-HZMBPMFUSA-N 0 0 399.241 2.700 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000569045772 564446408 /nfs/dbraw/zinc/44/64/08/564446408.db2.gz CXNMENAXBDHICJ-TVQRCGJNSA-N 0 0 393.259 2.512 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c1 ZINC000479804421 564451320 /nfs/dbraw/zinc/45/13/20/564451320.db2.gz HJKGMWZBOHNALO-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN CC(C)OC(=O)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480720184 564484129 /nfs/dbraw/zinc/48/41/29/564484129.db2.gz IZKBXOFGYXGTSB-JTQLQIEISA-N 0 0 378.834 2.647 20 5 GFBDRN Cc1noc([C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000516083070 564493183 /nfs/dbraw/zinc/49/31/83/564493183.db2.gz LBEZQGCJDIMVRL-MRVPVSSYSA-N 0 0 398.217 2.680 20 5 GFBDRN O=C(NCc1cc(Br)ccc1OC(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000547758335 564509534 /nfs/dbraw/zinc/50/95/34/564509534.db2.gz JRLWBDLFHLLSAD-UHFFFAOYSA-N 0 0 391.128 2.612 20 5 GFBDRN CC(C)[C@@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000481359509 564510787 /nfs/dbraw/zinc/51/07/87/564510787.db2.gz LAEDLSQCMPJGSL-OAHLLOKOSA-N 0 0 396.245 2.636 20 5 GFBDRN O=C(NCCCn1cc(Br)cn1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000516887789 564515081 /nfs/dbraw/zinc/51/50/81/564515081.db2.gz INERZTQKUKRLCX-UHFFFAOYSA-N 0 0 392.213 2.855 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)NCc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000454598980 564516414 /nfs/dbraw/zinc/51/64/14/564516414.db2.gz GBPBCNVWLWLJJJ-JTQLQIEISA-N 0 0 396.245 2.960 20 5 GFBDRN C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[S@@]1=O ZINC000481720999 564520591 /nfs/dbraw/zinc/52/05/91/564520591.db2.gz GSTRDZDMBNFPFD-FJFAWSEBSA-N 0 0 379.463 2.700 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(Br)cnc1N ZINC000517048789 564522459 /nfs/dbraw/zinc/52/24/59/564522459.db2.gz ZOVHJELRVQLEJL-UHFFFAOYSA-N 0 0 380.202 2.795 20 5 GFBDRN COC(=O)c1cc(C)nc(NCc2csc(Br)c2)c1[N+](=O)[O-] ZINC000517252314 564529398 /nfs/dbraw/zinc/52/93/98/564529398.db2.gz HCNYFVVVDMYRPO-UHFFFAOYSA-N 0 0 386.227 2.943 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N(CCO)Cc1ccc(Br)s1 ZINC000482988419 564555133 /nfs/dbraw/zinc/55/51/33/564555133.db2.gz XIQQEHKQFDDZTG-UHFFFAOYSA-N 0 0 399.266 2.982 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCO)Cc1ccc(Br)s1 ZINC000483003993 564556193 /nfs/dbraw/zinc/55/61/93/564556193.db2.gz LGJCYSZHJHJUCR-UHFFFAOYSA-N 0 0 399.266 2.982 20 5 GFBDRN CCc1ccc(C(=O)Nc2ccncc2I)cc1[N+](=O)[O-] ZINC000483370993 564565314 /nfs/dbraw/zinc/56/53/14/564565314.db2.gz BFWHBUDYPCAWFO-UHFFFAOYSA-N 0 0 397.172 2.831 20 5 GFBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455824375 564573382 /nfs/dbraw/zinc/57/33/82/564573382.db2.gz SFWDCDLFUUKIJX-NEPJUHHUSA-N 0 0 386.495 2.745 20 5 GFBDRN CC(=O)NCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCSCC1 ZINC000549590944 564599595 /nfs/dbraw/zinc/59/95/95/564599595.db2.gz DBRGSKDOAIDDCP-UHFFFAOYSA-N 0 0 385.873 2.722 20 5 GFBDRN NC(=O)c1ccnc(N[C@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000572570059 564600934 /nfs/dbraw/zinc/60/09/34/564600934.db2.gz CMNSYFMGQLKARF-NSHDSACASA-N 0 0 393.197 2.787 20 5 GFBDRN Cn1cc(Br)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000484970343 564602968 /nfs/dbraw/zinc/60/29/68/564602968.db2.gz OWJZLXQHYJFYLA-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCS[C@@H]2COCC[C@H]21 ZINC000572888920 564614240 /nfs/dbraw/zinc/61/42/40/564614240.db2.gz PNCNZPJQGRWMGU-ZYHUDNBSSA-N 0 0 376.356 2.960 20 5 GFBDRN CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cc(F)cc(Br)c1 ZINC000485674561 564622588 /nfs/dbraw/zinc/62/25/88/564622588.db2.gz YUOSQYCYXCHTNU-GFCCVEGCSA-N 0 0 385.193 2.960 20 5 GFBDRN CO[C@@H](c1noc(-c2cc([N+](=O)[O-])nn2C)n1)c1ccc(Br)cc1 ZINC000573246678 564630611 /nfs/dbraw/zinc/63/06/11/564630611.db2.gz XTQNCQPDBYUXPB-GFCCVEGCSA-N 0 0 394.185 2.877 20 5 GFBDRN CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000550934024 564634329 /nfs/dbraw/zinc/63/43/29/564634329.db2.gz RTOJFIOOTXRSPH-UHFFFAOYSA-N 0 0 390.190 2.717 20 5 GFBDRN O=C(NCc1nc2cc(Br)ccc2o1)c1ccc([N+](=O)[O-])cn1 ZINC000573512157 564641463 /nfs/dbraw/zinc/64/14/63/564641463.db2.gz SSLFTMFOBIDSJO-UHFFFAOYSA-N 0 0 377.154 2.824 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H]2CCCCN2C1=O ZINC000457277139 564653017 /nfs/dbraw/zinc/65/30/17/564653017.db2.gz OBSAUFCIKXOWFF-NEPJUHHUSA-N 0 0 383.857 2.610 20 5 GFBDRN 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O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC000618179870 565277124 /nfs/dbraw/zinc/27/71/24/565277124.db2.gz CYTOTZXGCSRGKN-GFCCVEGCSA-N 0 0 382.825 2.790 20 5 GFBDRN CC1(C)CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593356458 565327964 /nfs/dbraw/zinc/32/79/64/565327964.db2.gz OETJEURXCXQCOG-CHWSQXEVSA-N 0 0 386.857 2.745 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCO[C@H](c3ccncc3)C2)s1 ZINC000593502812 565337116 /nfs/dbraw/zinc/33/71/16/565337116.db2.gz SLJSTFVYAUNPEV-YPMHNXCESA-N 0 0 383.451 2.787 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000619487012 565344566 /nfs/dbraw/zinc/34/45/66/565344566.db2.gz SAYDXEYIWMPKBE-ZDUSSCGKSA-N 0 0 383.451 2.798 20 5 GFBDRN Cc1c(NC(=O)NCC(=O)NC2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000619540794 565348413 /nfs/dbraw/zinc/34/84/13/565348413.db2.gz OQFBELUDUPILOJ-UHFFFAOYSA-N 0 0 399.245 2.846 20 5 GFBDRN CCN([C@H]1CCCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593637726 565350914 /nfs/dbraw/zinc/35/09/14/565350914.db2.gz XEWWMDBZEDMZJG-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000593643324 565351530 /nfs/dbraw/zinc/35/15/30/565351530.db2.gz UYNWNHAPEMYKNL-ONGXEEELSA-N 0 0 393.259 2.545 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC3(CCC3)C2)c(Br)c1 ZINC000593664493 565353900 /nfs/dbraw/zinc/35/39/00/565353900.db2.gz QPHAHVVFZDWGSG-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN CC(C)(C)c1cc(Br)cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1O ZINC000594381910 565383515 /nfs/dbraw/zinc/38/35/15/565383515.db2.gz QFSJCUXVVZGJCO-UHFFFAOYSA-N 0 0 398.217 2.591 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000594410065 565384517 /nfs/dbraw/zinc/38/45/17/565384517.db2.gz ZMCHBWVDLMXQQS-UHFFFAOYSA-N 0 0 380.198 2.731 20 5 GFBDRN Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594752695 565414155 /nfs/dbraw/zinc/41/41/55/565414155.db2.gz GFOUDYIMCDCEMU-HNNXBMFYSA-N 0 0 379.463 2.777 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818144 565424995 /nfs/dbraw/zinc/42/49/95/565424995.db2.gz IGFTYCHIVJLCOE-CYBMUJFWSA-N 0 0 382.360 2.763 20 5 GFBDRN COC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594819806 565426436 /nfs/dbraw/zinc/42/64/36/565426436.db2.gz MQWHAZLBCAKJJB-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC2(CC2(F)F)CC1 ZINC000594870653 565432529 /nfs/dbraw/zinc/43/25/29/565432529.db2.gz NCPSFTNEAYFGRS-UHFFFAOYSA-N 0 0 376.381 2.850 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@]23C[C@@H]2CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000595079822 565446943 /nfs/dbraw/zinc/44/69/43/565446943.db2.gz ZBLUCFCUADIMBI-VFZGTOFNSA-N 0 0 382.214 2.663 20 5 GFBDRN CC(C)[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000595196576 565454906 /nfs/dbraw/zinc/45/49/06/565454906.db2.gz LNJXZEZAKCZKQG-ZDUSSCGKSA-N 0 0 384.230 2.847 20 5 GFBDRN CC(C)CC1(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000595205005 565455088 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Cc1nc(C)c(Br)c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000596213672 565515716 /nfs/dbraw/zinc/51/57/16/565515716.db2.gz BNHCCTSIVMJIRY-UHFFFAOYSA-N 0 0 381.234 2.802 20 5 GFBDRN CO[C@]1(CO)CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000596430479 565524247 /nfs/dbraw/zinc/52/42/47/565524247.db2.gz TWSPJTRFJVTKBN-MRXNPFEDSA-N 0 0 396.241 2.883 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCN2Cc2ccccc2)s1 ZINC000596559465 565527552 /nfs/dbraw/zinc/52/75/52/565527552.db2.gz ZBYUMITTWZAWJP-CYBMUJFWSA-N 0 0 381.479 2.746 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000597748507 565573941 /nfs/dbraw/zinc/57/39/41/565573941.db2.gz PYCFWUZXIBVLFE-HNNXBMFYSA-N 0 0 387.223 2.581 20 5 GFBDRN CCOC(=O)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000598041886 565589523 /nfs/dbraw/zinc/58/95/23/565589523.db2.gz OJVRYBQUFXOPHP-NSHDSACASA-N 0 0 380.344 2.687 20 5 GFBDRN Cn1cc([C@@H]2CSCCN2c2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000598627134 565630318 /nfs/dbraw/zinc/63/03/18/565630318.db2.gz DRJMXBDRMHKBSE-LBPRGKRZSA-N 0 0 384.259 2.780 20 5 GFBDRN Cc1cc(C)n(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000598962419 565651701 /nfs/dbraw/zinc/65/17/01/565651701.db2.gz WWNRCZDAHWOFDV-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN Cc1ncc2c(n1)CC[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599016661 565654446 /nfs/dbraw/zinc/65/44/46/565654446.db2.gz MPWXTDDOQGPQIL-NSHDSACASA-N 0 0 391.225 2.743 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599122589 565658123 /nfs/dbraw/zinc/65/81/23/565658123.db2.gz DAXQLNJETIZTEI-UHOFOFEASA-N 0 0 379.825 2.646 20 5 GFBDRN COc1cc(Br)ccc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599145073 565658697 /nfs/dbraw/zinc/65/86/97/565658697.db2.gz OEMIYKABLBQEHT-NSHDSACASA-N 0 0 394.229 2.910 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599166381 565659055 /nfs/dbraw/zinc/65/90/55/565659055.db2.gz CMBNNTMMGAEIAB-IUIKQTSFSA-N 0 0 379.825 2.646 20 5 GFBDRN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000599204009 565661269 /nfs/dbraw/zinc/66/12/69/565661269.db2.gz JEASLOIXKAGQFA-ZETCQYMHSA-N 0 0 379.225 2.675 20 5 GFBDRN CCO[C@H](CS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599269061 565666389 /nfs/dbraw/zinc/66/63/89/565666389.db2.gz MMTWFXVXFMSIOI-HZPDHXFCSA-N 0 0 386.495 2.787 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(O[C@@H]2CCOC2)CC1 ZINC000599632764 565693159 /nfs/dbraw/zinc/69/31/59/565693159.db2.gz DGPZIWDTMCLOOZ-GFCCVEGCSA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(O[C@H]2CCOC2)CC1 ZINC000599632765 565693921 /nfs/dbraw/zinc/69/39/21/565693921.db2.gz DGPZIWDTMCLOOZ-LBPRGKRZSA-N 0 0 399.241 2.767 20 5 GFBDRN COC[C@@]1(C)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000599787913 565702280 /nfs/dbraw/zinc/70/22/80/565702280.db2.gz YCWKFYXRCORWLI-CQSZACIVSA-N 0 0 388.218 2.627 20 5 GFBDRN CCOCc1nc([C@@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])no1 ZINC000599950197 565708232 /nfs/dbraw/zinc/70/82/32/565708232.db2.gz MAYVOVVBZZMLHF-MRVPVSSYSA-N 0 0 399.201 2.768 20 5 GFBDRN CN(Cc1noc(C2CC2)n1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600023182 565711175 /nfs/dbraw/zinc/71/11/75/565711175.db2.gz VHAYFDFSRVWSMY-UHFFFAOYSA-N 0 0 381.186 2.890 20 5 GFBDRN CCOC[C@H]1CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCO1 ZINC000600409623 565727844 /nfs/dbraw/zinc/72/78/44/565727844.db2.gz HBWNNJWDTPHIIF-GFCCVEGCSA-N 0 0 387.230 2.543 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000600791144 565751067 /nfs/dbraw/zinc/75/10/67/565751067.db2.gz DGLFVAFSNIPDGN-UHFFFAOYSA-N 0 0 397.204 2.586 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000601164253 565769825 /nfs/dbraw/zinc/76/98/25/565769825.db2.gz AGLYLQPUVSHAAC-SNVBAGLBSA-N 0 0 376.257 2.631 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](n2cncn2)C(F)(F)F)c(Br)c1 ZINC000601219253 565772395 /nfs/dbraw/zinc/77/23/95/565772395.db2.gz FNGQOKQIMKDGQZ-MRVPVSSYSA-N 0 0 381.112 2.559 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC3(CCSCC3)CC2)cc1[N+](=O)[O-] ZINC000601496734 565787156 /nfs/dbraw/zinc/78/71/56/565787156.db2.gz KASPXIBZDYLFJI-UHFFFAOYSA-N 0 0 386.495 2.901 20 5 GFBDRN C[C@@](CO)(NC(=O)Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601774765 565803412 /nfs/dbraw/zinc/80/34/12/565803412.db2.gz DMPUVHUVUNCZRM-HNNXBMFYSA-N 0 0 399.266 2.985 20 5 GFBDRN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493005 565852625 /nfs/dbraw/zinc/85/26/25/565852625.db2.gz GOGKOTVRORWJTD-SKDRFNHKSA-N 0 0 388.287 2.909 20 5 GFBDRN CC[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)S1(=O)=O ZINC000602651892 565860438 /nfs/dbraw/zinc/86/04/38/565860438.db2.gz AFVOWMDSYVZEIN-WCBMZHEXSA-N 0 0 397.316 2.816 20 5 GFBDRN CN(Cc1cccnc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609420393 566039032 /nfs/dbraw/zinc/03/90/32/566039032.db2.gz DWTBZSPSVNOVLI-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN Cc1ccc(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000609418307 566039232 /nfs/dbraw/zinc/03/92/32/566039232.db2.gz NHNDTNOVLAZYLP-UHFFFAOYSA-N 0 0 389.227 2.780 20 5 GFBDRN Cc1cc(Cl)ccc1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000609846921 566054671 /nfs/dbraw/zinc/05/46/71/566054671.db2.gz BHCYJYFHLLEADB-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C(F)(F)F)cc1SC ZINC000610048016 566062869 /nfs/dbraw/zinc/06/28/69/566062869.db2.gz SFXDYWQVKKHEIY-GFCCVEGCSA-N 0 0 380.344 2.729 20 5 GFBDRN CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000610060202 566063575 /nfs/dbraw/zinc/06/35/75/566063575.db2.gz IRJGLDPNCABDTH-UHFFFAOYSA-N 0 0 379.214 2.748 20 5 GFBDRN Cc1csc(=O)n1CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000610209813 566071328 /nfs/dbraw/zinc/07/13/28/566071328.db2.gz HDFFJZUTNYECSX-OAHLLOKOSA-N 0 0 379.463 2.791 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCc1ccc(Cl)cc1Cl ZINC000610259456 566072898 /nfs/dbraw/zinc/07/28/98/566072898.db2.gz JLAAOPYTYOMSSM-UHFFFAOYSA-N 0 0 376.221 2.818 20 5 GFBDRN CCC1(O)CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000610281233 566075802 /nfs/dbraw/zinc/07/58/02/566075802.db2.gz ICVCZRIDJAZNIK-UHFFFAOYSA-N 0 0 376.194 2.941 20 5 GFBDRN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413547 566081042 /nfs/dbraw/zinc/08/10/42/566081042.db2.gz XHTSCHOUNSIYSG-QPUJVOFHSA-N 0 0 381.738 2.838 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000610500870 566084157 /nfs/dbraw/zinc/08/41/57/566084157.db2.gz NYPWSSSVLHCGJW-CMPLNLGQSA-N 0 0 382.360 2.552 20 5 GFBDRN CCOc1cccc(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000610759102 566097486 /nfs/dbraw/zinc/09/74/86/566097486.db2.gz JOBGUEQYDCXMFC-UHFFFAOYSA-N 0 0 385.829 2.563 20 5 GFBDRN CO[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccccc1Cl ZINC000610785821 566099295 /nfs/dbraw/zinc/09/92/95/566099295.db2.gz PYNXHMVXFFSHEZ-AWEZNQCLSA-N 0 0 385.829 2.695 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC(F)(F)C1 ZINC000610785449 566099391 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Cc1nn(C)c(C)c1[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000611306334 566125451 /nfs/dbraw/zinc/12/54/51/566125451.db2.gz IUQSAXOELYCMOU-ZDUSSCGKSA-N 0 0 396.245 2.681 20 5 GFBDRN COc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611542655 566135952 /nfs/dbraw/zinc/13/59/52/566135952.db2.gz VAGAIYDBUVQYOO-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000612698758 566170933 /nfs/dbraw/zinc/17/09/33/566170933.db2.gz FTAIORNYYPLOKT-FMKPAKJESA-N 0 0 399.241 2.814 20 5 GFBDRN O=C1[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000738294837 598855782 /nfs/dbraw/zinc/85/57/82/598855782.db2.gz FNVDUOONTKXKKB-CQSZACIVSA-N 0 0 399.798 2.646 20 5 GFBDRN CO[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cccc(Cl)c1 ZINC000821678344 599090398 /nfs/dbraw/zinc/09/03/98/599090398.db2.gz MQULVTYMXKESKN-CYBMUJFWSA-N 0 0 375.776 2.623 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737059984 599248775 /nfs/dbraw/zinc/24/87/75/599248775.db2.gz YWNUTGZNAFMTTI-UHFFFAOYSA-N 0 0 388.771 2.618 20 5 GFBDRN Cc1c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cccc1-c1nn[nH]n1 ZINC000822115357 607321318 /nfs/dbraw/zinc/32/13/18/607321318.db2.gz DDHAEXDLNXCCGF-UHFFFAOYSA-N 0 0 390.363 2.521 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737220539 598272070 /nfs/dbraw/zinc/27/20/70/598272070.db2.gz BUTPSRRXFLUKCS-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735873279 598429394 /nfs/dbraw/zinc/42/93/94/598429394.db2.gz FAAAEMVABIXJRW-UHFFFAOYSA-N 0 0 395.423 2.895 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000738358139 598676604 /nfs/dbraw/zinc/67/66/04/598676604.db2.gz LMRHHEKFPWRVEX-HNNXBMFYSA-N 0 0 394.313 2.637 20 5 GFBDRN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[nH]n2)c1 ZINC000826415432 607365758 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O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cc(F)ccc1F ZINC000826451292 607525262 /nfs/dbraw/zinc/52/52/62/607525262.db2.gz ZLEAEFVTRQLZHF-UHFFFAOYSA-N 0 0 380.698 2.959 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1F ZINC000826451206 607525617 /nfs/dbraw/zinc/52/56/17/607525617.db2.gz VVOPJIXPACLKHV-UHFFFAOYSA-N 0 0 380.698 2.959 20 5 GFBDRN CC[NH+]1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)cn2)CC1 ZINC000576707003 602313586 /nfs/dbraw/zinc/31/35/86/602313586.db2.gz HYNZBSXAZGTKFL-UHFFFAOYSA-N 0 0 399.451 2.750 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000740100241 602384533 /nfs/dbraw/zinc/38/45/33/602384533.db2.gz UNCRZRMREZZEPP-UHFFFAOYSA-N 0 0 378.429 2.554 20 5 GFBDRN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825621020 607669816 /nfs/dbraw/zinc/66/98/16/607669816.db2.gz NBQDPXNWTHFMPG-UHFFFAOYSA-N 0 0 382.380 2.663 20 5 GFBDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 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398.354 2.845 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](CCO)CC2)cc1Cl ZINC000817152310 660184206 /nfs/dbraw/zinc/18/42/06/660184206.db2.gz YJMQLCFCNFEJNS-SNVBAGLBSA-N 0 0 380.825 2.561 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1OC(F)(F)F ZINC000823624578 607165337 /nfs/dbraw/zinc/16/53/37/607165337.db2.gz DFKRGZOTJFPDCY-UHFFFAOYSA-N 0 0 381.274 2.681 20 5 GFBDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823087026 607193389 /nfs/dbraw/zinc/19/33/89/607193389.db2.gz CMUCDGYREPTMDJ-UHFFFAOYSA-N 0 0 378.392 2.509 20 5 GFBDRN O=C1[C@@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478316 607817109 /nfs/dbraw/zinc/81/71/09/607817109.db2.gz YYZBEAMDZQREOM-INIZCTEOSA-N 0 0 396.432 2.814 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826272431 607863507 /nfs/dbraw/zinc/86/35/07/607863507.db2.gz JANNPNSKCBSWOB-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN 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CC(C)(C)OC(=O)NC/C=C\CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000763205504 656075639 /nfs/dbraw/zinc/07/56/39/656075639.db2.gz OQQCNRGBQULVPJ-WAYWQWQTSA-N 0 0 391.471 2.553 20 5 GFBDRN CCOC(=O)[C@@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000763204857 656075646 /nfs/dbraw/zinc/07/56/46/656075646.db2.gz JXJPKFQLFQJOLJ-DTWKUNHWSA-N 0 0 380.369 2.591 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2ncccc2C1 ZINC000763214122 656075836 /nfs/dbraw/zinc/07/58/36/656075836.db2.gz SQBFOBNZAHEEDI-UHFFFAOYSA-N 0 0 383.813 2.535 20 5 GFBDRN C[C@@H]1N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000763355139 656080422 /nfs/dbraw/zinc/08/04/22/656080422.db2.gz WBIGVTVRHMUAKZ-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@H]1N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000763355138 656080460 /nfs/dbraw/zinc/08/04/60/656080460.db2.gz WBIGVTVRHMUAKZ-SECBINFHSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(OC/C(Cl)=C\Cl)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000764001209 656098609 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GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000769896407 656298246 /nfs/dbraw/zinc/29/82/46/656298246.db2.gz FEKUCLRSEKAFBQ-VIFPVBQESA-N 0 0 378.834 2.565 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CC1(C)OCCO1 ZINC000769906479 656299564 /nfs/dbraw/zinc/29/95/64/656299564.db2.gz IIHOBIHVZJHWRB-SNVBAGLBSA-N 0 0 392.861 2.624 20 5 GFBDRN C[C@@H]1CCCN(C(=O)COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000770155194 656308630 /nfs/dbraw/zinc/30/86/30/656308630.db2.gz CVTQGGPELIPZKZ-SNVBAGLBSA-N 0 0 385.214 2.773 20 5 GFBDRN NC(=O)[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000770155816 656308672 /nfs/dbraw/zinc/30/86/72/656308672.db2.gz DKOHYACVXGJDAS-ZDUSSCGKSA-N 0 0 379.166 2.741 20 5 GFBDRN O=C(Nc1ccc(-n2nccn2)nc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770478245 656320548 /nfs/dbraw/zinc/32/05/48/656320548.db2.gz QRCRHPFTAQSYCN-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Br)nc1 ZINC000770598316 656323667 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O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000773340597 656414359 /nfs/dbraw/zinc/41/43/59/656414359.db2.gz GWOLFYVRHZIXQO-ZDUSSCGKSA-N 0 0 385.214 2.773 20 5 GFBDRN COC(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000773408624 656444586 /nfs/dbraw/zinc/44/45/86/656444586.db2.gz LFLOBSGTWFCTFP-UHFFFAOYSA-N 0 0 395.165 2.896 20 5 GFBDRN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000773425571 656445872 /nfs/dbraw/zinc/44/58/72/656445872.db2.gz NPOSMGYRKRYXMM-YOGCLGLASA-N 0 0 398.209 2.642 20 5 GFBDRN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cnc(Br)s1 ZINC000773529034 656456808 /nfs/dbraw/zinc/45/68/08/656456808.db2.gz YBOKJASQUAJCKD-UHFFFAOYSA-N 0 0 385.243 2.932 20 5 GFBDRN COc1cc(COC(=O)Cc2cc[nH]c(=O)c2Br)ccc1[N+](=O)[O-] ZINC000773636352 656463281 /nfs/dbraw/zinc/46/32/81/656463281.db2.gz IWLOQUKWRKLFOQ-UHFFFAOYSA-N 0 0 397.181 2.752 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] ZINC000841496145 661274526 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399.176 2.752 20 5 GFBDRN CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000287533820 563606124 /nfs/dbraw/zinc/60/61/24/563606124.db2.gz VRBWWKZOWNGBLX-GAYUNNFGSA-N 0 0 388.873 2.775 20 5 GFBDRN CCn1nccc1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000433440039 563612521 /nfs/dbraw/zinc/61/25/21/563612521.db2.gz PKXQIVGHPGSPMI-UHFFFAOYSA-N 0 0 384.483 2.749 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000287666442 563612624 /nfs/dbraw/zinc/61/26/24/563612624.db2.gz CSEPKBQSLLFNKZ-BTZQTZEISA-N 0 0 386.495 2.697 20 5 GFBDRN CSCCCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287743982 563616436 /nfs/dbraw/zinc/61/64/36/563616436.db2.gz DQXCCBVSNLGFGE-UHFFFAOYSA-N 0 0 387.889 2.556 20 5 GFBDRN CCOC(=O)CN(C1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000433744848 563619194 /nfs/dbraw/zinc/61/91/94/563619194.db2.gz ATNQHJPBFFQNBY-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN O=C(NCC1=CCCOC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 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ZINC000367060001 563829454 /nfs/dbraw/zinc/82/94/54/563829454.db2.gz AEVRTQOLAMBKDO-SNVBAGLBSA-N 0 0 379.214 2.676 20 5 GFBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ncccc2Br)CC1 ZINC000294197772 563833658 /nfs/dbraw/zinc/83/36/58/563833658.db2.gz UASAGDHMZKVZEF-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416476768 563835025 /nfs/dbraw/zinc/83/50/25/563835025.db2.gz ORXBNUKCKSLYJQ-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN CO[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000416474375 563835165 /nfs/dbraw/zinc/83/51/65/563835165.db2.gz QWIVKKSRJKDPAG-CABZTGNLSA-N 0 0 382.360 2.659 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cncc(Br)c1 ZINC000444919118 563839620 /nfs/dbraw/zinc/83/96/20/563839620.db2.gz JBDONLXYEDFLPB-UHFFFAOYSA-N 0 0 391.185 2.950 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000416507170 563840822 /nfs/dbraw/zinc/84/08/22/563840822.db2.gz 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Cc1c(Br)cc(C(=O)N2CC(=O)Nc3cnccc32)cc1[N+](=O)[O-] ZINC000510441461 564333965 /nfs/dbraw/zinc/33/39/65/564333965.db2.gz MMGRBGOIZNWDEY-UHFFFAOYSA-N 0 0 391.181 2.660 20 5 GFBDRN COc1ccc(CNC(=O)C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000510482168 564335762 /nfs/dbraw/zinc/33/57/62/564335762.db2.gz NYPVCSCXYIWMND-UHFFFAOYSA-N 0 0 393.193 2.865 20 5 GFBDRN CC[C@@H](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683546 564339512 /nfs/dbraw/zinc/33/95/12/564339512.db2.gz UXJLLBMFUSLTDT-BXKDBHETSA-N 0 0 384.376 2.953 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc3ncsc3c1)CC2 ZINC000476437123 564340062 /nfs/dbraw/zinc/34/00/62/564340062.db2.gz PXAAXYNTFOZZBC-UHFFFAOYSA-N 0 0 375.431 2.952 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000451746716 564348032 /nfs/dbraw/zinc/34/80/32/564348032.db2.gz RIJHLLOZPSECKX-INIZCTEOSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c(Br)c(N2CCC(Cn3ccnn3)CC2)ncc1[N+](=O)[O-] ZINC000543438905 564350629 /nfs/dbraw/zinc/35/06/29/564350629.db2.gz XUGMNOWINBEFFN-UHFFFAOYSA-N 0 0 381.234 2.569 20 5 GFBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1Cl)OCCO2 ZINC000476739606 564352870 /nfs/dbraw/zinc/35/28/70/564352870.db2.gz OJHILRKVCAWBAP-UHFFFAOYSA-N 0 0 388.760 2.959 20 5 GFBDRN COc1ccc(CS(=O)(=O)Cc2csc([C@H](C)OC)n2)cc1[N+](=O)[O-] ZINC000476894310 564357589 /nfs/dbraw/zinc/35/75/89/564357589.db2.gz VPMWHIADUZTOHJ-JTQLQIEISA-N 0 0 386.451 2.882 20 5 GFBDRN CC(C)OC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000451847357 564358566 /nfs/dbraw/zinc/35/85/66/564358566.db2.gz YGTGKEDGFUOCKT-ZDUSSCGKSA-N 0 0 378.834 2.503 20 5 GFBDRN COC(=O)c1cc(C(=O)N(C)c2ccc(Br)cn2)cc([N+](=O)[O-])c1 ZINC000511176396 564361687 /nfs/dbraw/zinc/36/16/87/564361687.db2.gz SNACIIJVYFLPTL-UHFFFAOYSA-N 0 0 394.181 2.816 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000477023839 564362078 /nfs/dbraw/zinc/36/20/78/564362078.db2.gz XQQPHKSFOWYZFQ-UHFFFAOYSA-N 0 0 379.214 2.552 20 5 GFBDRN Cc1cccc2nc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cn21 ZINC000544079090 564373327 /nfs/dbraw/zinc/37/33/27/564373327.db2.gz MMMOGTCVQGWUFV-UHFFFAOYSA-N 0 0 377.198 2.832 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000567781538 564388518 /nfs/dbraw/zinc/38/85/18/564388518.db2.gz IGDNHGSJOGRMKH-CDEUHXGRSA-N 0 0 388.511 2.515 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000452095182 564390725 /nfs/dbraw/zinc/39/07/25/564390725.db2.gz VSWXXFIYVUKMCU-OAHLLOKOSA-N 0 0 382.463 2.839 20 5 GFBDRN CCN1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000567958476 564397376 /nfs/dbraw/zinc/39/73/76/564397376.db2.gz MQZYVVSAPKMEGJ-RKDXNWHRSA-N 0 0 376.276 2.974 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)nc12 ZINC000544774672 564398722 /nfs/dbraw/zinc/39/87/22/564398722.db2.gz GIUFRISAOXCLLU-UHFFFAOYSA-N 0 0 378.186 2.572 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000568142492 564405896 /nfs/dbraw/zinc/40/58/96/564405896.db2.gz QKVTYLVBOLEZLQ-UONOGXRCSA-N 0 0 388.205 2.953 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000452693718 564426533 /nfs/dbraw/zinc/42/65/33/564426533.db2.gz OYGZMUPPSJEVEV-ZDUSSCGKSA-N 0 0 379.157 2.508 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000479162389 564429304 /nfs/dbraw/zinc/42/93/04/564429304.db2.gz DBUCSXXVAZYFES-CYBMUJFWSA-N 0 0 386.495 2.602 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(I)cc3)no2)n1 ZINC000545634636 564429807 /nfs/dbraw/zinc/42/98/07/564429807.db2.gz OEZWUEMARVDRGC-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN O=[N+]([O-])c1ccn(Cc2nc(Cc3ccc(F)c(Br)c3)no2)n1 ZINC000545673630 564430897 /nfs/dbraw/zinc/43/08/97/564430897.db2.gz ZSOUAIXFFSGLRP-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN CC(=O)N1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545741488 564431310 /nfs/dbraw/zinc/43/13/10/564431310.db2.gz GCKCAZNSPLQBNO-LLVKDONJSA-N 0 0 395.213 2.667 20 5 GFBDRN C[C@@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479223018 564432048 /nfs/dbraw/zinc/43/20/48/564432048.db2.gz IKTIAXFVOLWLMC-VIFPVBQESA-N 0 0 378.834 2.647 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCCC1(F)F ZINC000452826294 564433026 /nfs/dbraw/zinc/43/30/26/564433026.db2.gz YQTBDCOSBLLEPJ-VIFPVBQESA-N 0 0 375.759 2.530 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000452852953 564435069 /nfs/dbraw/zinc/43/50/69/564435069.db2.gz TYLYCWSMVWIEOD-LLVKDONJSA-N 0 0 379.214 2.721 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000452935184 564438030 /nfs/dbraw/zinc/43/80/30/564438030.db2.gz OGYGOZBYSKMYJZ-YOEHRIQHSA-N 0 0 397.269 2.813 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1nc2ccccc2s1 ZINC000546094239 564445085 /nfs/dbraw/zinc/44/50/85/564445085.db2.gz FDRQWQCSRUMEMY-UHFFFAOYSA-N 0 0 377.447 2.867 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCS(=O)(=O)NCC1CCC1 ZINC000514193693 564446411 /nfs/dbraw/zinc/44/64/11/564446411.db2.gz SVRLITAPAKMVLT-UHFFFAOYSA-N 0 0 381.376 2.745 20 5 GFBDRN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173414 564452049 /nfs/dbraw/zinc/45/20/49/564452049.db2.gz RSGVBKUUWBEIML-YGRLFVJLSA-N 0 0 390.221 2.935 20 5 GFBDRN O=[N+]([O-])c1cccnc1N1CCN(Cc2ncc(Br)s2)CC1 ZINC000453577377 564458082 /nfs/dbraw/zinc/45/80/82/564458082.db2.gz OCFRNFJQFFJOSK-UHFFFAOYSA-N 0 0 384.259 2.531 20 5 GFBDRN COCc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000480068128 564459626 /nfs/dbraw/zinc/45/96/26/564459626.db2.gz JBCGKKAZAVCWTO-UHFFFAOYSA-N 0 0 384.841 2.916 20 5 GFBDRN COC(=O)[C@@H](C)SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000514971713 564464517 /nfs/dbraw/zinc/46/45/17/564464517.db2.gz DKFOCTQPUSVFFH-SSDOTTSWSA-N 0 0 381.191 2.994 20 5 GFBDRN NS(=O)(=O)c1cccc(NC[C@@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000546759572 564466916 /nfs/dbraw/zinc/46/69/16/564466916.db2.gz DOADXKJMYDIVOD-AWEZNQCLSA-N 0 0 379.463 2.685 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC1(C(F)F)CC1 ZINC000480425479 564472842 /nfs/dbraw/zinc/47/28/42/564472842.db2.gz JKXWEWNQHTVNAK-UHFFFAOYSA-N 0 0 385.186 2.681 20 5 GFBDRN O=c1c(F)cc([N+](=O)[O-])cn1Cc1cc2c(cc1Br)OCCCO2 ZINC000569971250 564485722 /nfs/dbraw/zinc/48/57/22/564485722.db2.gz NWURNTMEFNMOSZ-UHFFFAOYSA-N 0 0 399.172 2.868 20 5 GFBDRN CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@]2(CCOC2)O1 ZINC000480771559 564487350 /nfs/dbraw/zinc/48/73/50/564487350.db2.gz CDXNVMQKNVWQAT-XHDPSFHLSA-N 0 0 386.246 2.835 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480850551 564491534 /nfs/dbraw/zinc/49/15/34/564491534.db2.gz YHVRJAZRAOYSOY-LBPRGKRZSA-N 0 0 384.483 2.578 20 5 GFBDRN CN(CC1(O)CCOCC1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000547709335 564507865 /nfs/dbraw/zinc/50/78/65/564507865.db2.gz QUBQPZHATZWXAC-UHFFFAOYSA-N 0 0 396.241 2.883 20 5 GFBDRN COc1cnc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000570483511 564508330 /nfs/dbraw/zinc/50/83/30/564508330.db2.gz FCOKGFWWUJZLFN-UHFFFAOYSA-N 0 0 395.213 2.836 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Br ZINC000547725503 564508887 /nfs/dbraw/zinc/50/88/87/564508887.db2.gz GGGRCYMDIFACSE-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547756915 564509560 /nfs/dbraw/zinc/50/95/60/564509560.db2.gz KIKLUYFLNUKDFZ-UHFFFAOYSA-N 0 0 386.195 2.726 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cc2n(n1)CCCO2 ZINC000571091477 564535063 /nfs/dbraw/zinc/53/50/63/564535063.db2.gz XZOQUIDDEFIAHP-UHFFFAOYSA-N 0 0 395.213 2.575 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccn1-c1ccccc1 ZINC000517768266 564542276 /nfs/dbraw/zinc/54/22/76/564542276.db2.gz RHCNEGLUXDHBCM-NSHDSACASA-N 0 0 378.435 2.882 20 5 GFBDRN COCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000482753084 564549010 /nfs/dbraw/zinc/54/90/10/564549010.db2.gz UVNCMEJQNZLORY-UHFFFAOYSA-N 0 0 384.186 2.963 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(cccc2Br)s1 ZINC000518810382 564562882 /nfs/dbraw/zinc/56/28/82/564562882.db2.gz GETANBUPELYTQO-UHFFFAOYSA-N 0 0 382.199 2.953 20 5 GFBDRN CCO[C@@H]1C[C@@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000518891648 564564326 /nfs/dbraw/zinc/56/43/26/564564326.db2.gz PATHKOBRWJJCOM-QWHCGFSZSA-N 0 0 385.207 2.995 20 5 GFBDRN Nc1nccc(C(=O)NCc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000548741976 564572154 /nfs/dbraw/zinc/57/21/54/564572154.db2.gz NMQUALWVHGKSEN-UHFFFAOYSA-N 0 0 385.605 2.748 20 5 GFBDRN O=C(NC1(C(F)F)CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000548779162 564574727 /nfs/dbraw/zinc/57/47/27/564574727.db2.gz VZMGUPVPOPVAOX-UHFFFAOYSA-N 0 0 382.104 2.727 20 5 GFBDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000456035966 564585086 /nfs/dbraw/zinc/58/50/86/564585086.db2.gz JHHPICOWVLHTFJ-VIFPVBQESA-N 0 0 382.360 2.849 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000484384995 564587688 /nfs/dbraw/zinc/58/76/88/564587688.db2.gz GAINKRHHNBYAPL-RNCFNFMXSA-N 0 0 385.214 2.771 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nn(C)cc1Br ZINC000456126902 564590186 /nfs/dbraw/zinc/59/01/86/564590186.db2.gz MQGRJFMUCUWISB-UHFFFAOYSA-N 0 0 381.230 2.946 20 5 GFBDRN Cc1cc(CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000519846820 564592928 /nfs/dbraw/zinc/59/29/28/564592928.db2.gz JGYAEOZXVAMFDE-UHFFFAOYSA-N 0 0 395.257 3.000 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)COc2cc(F)c(Br)cc2Cl)c1 ZINC000549571778 564598589 /nfs/dbraw/zinc/59/85/89/564598589.db2.gz FUYPQTXBZBZKKX-MRVPVSSYSA-N 0 0 394.584 2.786 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456344536 564601114 /nfs/dbraw/zinc/60/11/14/564601114.db2.gz XHJLELOJUKYUGV-KYOSRNDESA-N 0 0 397.269 2.909 20 5 GFBDRN COCCN(Cc1sccc1Br)Cc1c([N+](=O)[O-])ncn1C ZINC000484901410 564601184 /nfs/dbraw/zinc/60/11/84/564601184.db2.gz SFBNXIHUYLOEHN-UHFFFAOYSA-N 0 0 389.275 2.801 20 5 GFBDRN O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000456460883 564608350 /nfs/dbraw/zinc/60/83/50/564608350.db2.gz HUQWLXLXBRTRRU-LBPRGKRZSA-N 0 0 375.759 2.624 20 5 GFBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCS[C@H]2COCC[C@H]21 ZINC000572888919 564614467 /nfs/dbraw/zinc/61/44/67/564614467.db2.gz PNCNZPJQGRWMGU-PWSUYJOCSA-N 0 0 376.356 2.960 20 5 GFBDRN CC(C)[C@H]1CN(C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485506436 564617750 /nfs/dbraw/zinc/61/77/50/564617750.db2.gz PSGJIKUVGWIETA-SNVBAGLBSA-N 0 0 376.276 2.831 20 5 GFBDRN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C)OC ZINC000573194981 564627443 /nfs/dbraw/zinc/62/74/43/564627443.db2.gz PFSGZJCIYQWCDV-SNVBAGLBSA-N 0 0 392.193 2.663 20 5 GFBDRN CCOC(=O)CN(CC(F)(F)F)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000521728942 564635202 /nfs/dbraw/zinc/63/52/02/564635202.db2.gz JYENBXBXGGCYFZ-UHFFFAOYSA-N 0 0 380.344 2.641 20 5 GFBDRN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551329625 564646685 /nfs/dbraw/zinc/64/66/85/564646685.db2.gz RWGKFZMAGFMTQZ-QMMMGPOBSA-N 0 0 382.170 2.707 20 5 GFBDRN CCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925618 564660882 /nfs/dbraw/zinc/66/08/82/564660882.db2.gz GREVCIIUFBDVAZ-MWLCHTKSSA-N 0 0 384.376 2.689 20 5 GFBDRN O=C(NCc1cccs1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551710174 564661352 /nfs/dbraw/zinc/66/13/52/564661352.db2.gz YBLOKWFVGLEXAO-UHFFFAOYSA-N 0 0 384.211 2.674 20 5 GFBDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000486806007 564667429 /nfs/dbraw/zinc/66/74/29/564667429.db2.gz TTXATFBZOYMRDS-GFCCVEGCSA-N 0 0 388.511 2.896 20 5 GFBDRN Cc1nn(CCC(=O)NCc2cc(Br)cs2)c(C)c1[N+](=O)[O-] ZINC000523946716 564674288 /nfs/dbraw/zinc/67/42/88/564674288.db2.gz ONYAOSATTMPCAT-UHFFFAOYSA-N 0 0 387.259 2.939 20 5 GFBDRN COC(=O)c1csc(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487115539 564676067 /nfs/dbraw/zinc/67/60/67/564676067.db2.gz REHYZGSRTFEVTP-SNVBAGLBSA-N 0 0 384.435 2.791 20 5 GFBDRN CCC(CC)(CC(=O)OC)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487149020 564677709 /nfs/dbraw/zinc/67/77/09/564677709.db2.gz LFKGJRVRLLILRX-UHFFFAOYSA-N 0 0 378.834 2.648 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000487215880 564678973 /nfs/dbraw/zinc/67/89/73/564678973.db2.gz COHVROQCVBCDFX-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN Nc1ccccc1S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487347507 564683183 /nfs/dbraw/zinc/68/31/83/564683183.db2.gz ULLGZAHZURBGSD-UHFFFAOYSA-N 0 0 375.328 2.674 20 5 GFBDRN COCC1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000552677240 564697429 /nfs/dbraw/zinc/69/74/29/564697429.db2.gz XDVLOHGKPWVDNB-UHFFFAOYSA-N 0 0 388.873 2.900 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCCCOc1ccc(Cl)cc1 ZINC000525699756 564705419 /nfs/dbraw/zinc/70/54/19/564705419.db2.gz HGGJOEQGODRJCV-UHFFFAOYSA-N 0 0 385.829 2.781 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCc1ccccc1C(F)(F)F ZINC000525689547 564705637 /nfs/dbraw/zinc/70/56/37/564705637.db2.gz HEXAOIQXRXQXLH-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCCC1=O ZINC000576179359 564706777 /nfs/dbraw/zinc/70/67/77/564706777.db2.gz CJVSCUGCMDJSQR-JTQLQIEISA-N 0 0 398.257 2.797 20 5 GFBDRN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000553065261 564707858 /nfs/dbraw/zinc/70/78/58/564707858.db2.gz FZQPFLVUBSPTHO-SLZQUPAKSA-N 0 0 388.873 2.774 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000576505921 564714407 /nfs/dbraw/zinc/71/44/07/564714407.db2.gz NOSLYZPRSZZOFY-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN O=C(NCc1cnn2ccccc12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000553386040 564718084 /nfs/dbraw/zinc/71/80/84/564718084.db2.gz NIQVHVBJQIJEET-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000577011109 564722731 /nfs/dbraw/zinc/72/27/31/564722731.db2.gz UQWDLPTXDSVHPJ-VHSXEESVSA-N 0 0 384.230 2.800 20 5 GFBDRN NC(=O)c1cc(Br)ccc1OCCOc1cccc([N+](=O)[O-])c1 ZINC000553499300 564723035 /nfs/dbraw/zinc/72/30/35/564723035.db2.gz JRMACDVPBDNWIB-UHFFFAOYSA-N 0 0 381.182 2.914 20 5 GFBDRN CN(Cc1cccnc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488913829 564723176 /nfs/dbraw/zinc/72/31/76/564723176.db2.gz DWWQCMLAOXOMIP-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCc1cccc(F)c1 ZINC000488886916 564723500 /nfs/dbraw/zinc/72/35/00/564723500.db2.gz RKAQIDOHLNJGAV-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000553569333 564727595 /nfs/dbraw/zinc/72/75/95/564727595.db2.gz BDCMVDONWOOBRW-LBPRGKRZSA-N 0 0 384.841 2.611 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnc(C)c1Br ZINC000527112471 564730389 /nfs/dbraw/zinc/73/03/89/564730389.db2.gz KIWUNVXWJFTGJT-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000489632031 564746680 /nfs/dbraw/zinc/74/66/80/564746680.db2.gz VBANFWKCBWFJHL-GFCCVEGCSA-N 0 0 397.254 2.907 20 5 GFBDRN Cc1nn(Cc2nc(Cc3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000579639088 564750055 /nfs/dbraw/zinc/75/00/55/564750055.db2.gz YTTSXAAQIQTYQZ-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC3(C2)CCCOC3)c1 ZINC000459609023 564752900 /nfs/dbraw/zinc/75/29/00/564752900.db2.gz QHTIBJPPSDPTAV-UHFFFAOYSA-N 0 0 388.205 2.812 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)CC2 ZINC000460481771 564775702 /nfs/dbraw/zinc/77/57/02/564775702.db2.gz UUBOQSBSJHGVBA-UHFFFAOYSA-N 0 0 385.804 2.670 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cn(C)c2=O)c1 ZINC000554904356 564776699 /nfs/dbraw/zinc/77/66/99/564776699.db2.gz BZFBMNRNGOFHNT-UHFFFAOYSA-N 0 0 396.197 2.707 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 ZINC000554960720 564779165 /nfs/dbraw/zinc/77/91/65/564779165.db2.gz CIUCHIUKPRMZQG-UHFFFAOYSA-N 0 0 396.197 2.707 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000555321852 564789994 /nfs/dbraw/zinc/78/99/94/564789994.db2.gz DSZVRYMPZPIAPP-GFCCVEGCSA-N 0 0 394.229 2.797 20 5 GFBDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491594607 564793811 /nfs/dbraw/zinc/79/38/11/564793811.db2.gz RUILKCMHSYMBHL-JTQLQIEISA-N 0 0 380.463 2.895 20 5 GFBDRN COc1ncccc1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461471242 564798808 /nfs/dbraw/zinc/79/88/08/564798808.db2.gz BSOGTVVSOSLCJQ-UHFFFAOYSA-N 0 0 380.198 2.733 20 5 GFBDRN COc1c(S(=O)(=O)NC[C@H]2C[C@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474756 564807917 /nfs/dbraw/zinc/80/79/17/564807917.db2.gz VCAIOKMEGAZOKT-VXNVDRBHSA-N 0 0 393.259 2.609 20 5 GFBDRN COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000494019422 564816107 /nfs/dbraw/zinc/81/61/07/564816107.db2.gz IPZWFOZBZWOELF-GFCCVEGCSA-N 0 0 387.230 2.985 20 5 GFBDRN O=C(NC1(CCO)CC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000581744493 564816606 /nfs/dbraw/zinc/81/66/06/564816606.db2.gz WZTXZODEIUXQRR-UHFFFAOYSA-N 0 0 385.207 2.732 20 5 GFBDRN O=C(Nc1ccncc1Br)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000494397181 564828721 /nfs/dbraw/zinc/82/87/21/564828721.db2.gz QGFSOKVFOQXHDV-UHFFFAOYSA-N 0 0 388.181 2.612 20 5 GFBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccncc1Br ZINC000494414063 564829768 /nfs/dbraw/zinc/82/97/68/564829768.db2.gz RNVLGQBGBSHLKQ-UHFFFAOYSA-N 0 0 375.182 2.768 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000462569260 564848130 /nfs/dbraw/zinc/84/81/30/564848130.db2.gz GUCDBAFKYQLBHO-LKFCYVNXSA-N 0 0 392.861 2.813 20 5 GFBDRN Cc1nc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(C)o1 ZINC000497427794 564867559 /nfs/dbraw/zinc/86/75/59/564867559.db2.gz FPDAMEQXGZFMDV-UHFFFAOYSA-N 0 0 382.214 2.864 20 5 GFBDRN Cc1cnc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c([N+](=O)[O-])c1 ZINC000463052127 564868100 /nfs/dbraw/zinc/86/81/00/564868100.db2.gz DIZANRZUQCQBCR-UHFFFAOYSA-N 0 0 380.451 2.629 20 5 GFBDRN Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC000463238974 564873520 /nfs/dbraw/zinc/87/35/20/564873520.db2.gz ZKMYNTABQWGGTK-UHFFFAOYSA-N 0 0 398.160 2.859 20 5 GFBDRN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000463237227 564873739 /nfs/dbraw/zinc/87/37/39/564873739.db2.gz UOKQZGCFPFCCJW-LBPRGKRZSA-N 0 0 386.246 2.795 20 5 GFBDRN Cc1nc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cs1 ZINC000463693578 564888308 /nfs/dbraw/zinc/88/83/08/564888308.db2.gz QXIFDUUWCKFBLW-UHFFFAOYSA-N 0 0 378.435 2.729 20 5 GFBDRN Cc1nc(SCCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000498158800 564889685 /nfs/dbraw/zinc/88/96/85/564889685.db2.gz AXTPFOSVNWTHPG-CQSZACIVSA-N 0 0 379.467 2.778 20 5 GFBDRN CCc1cnc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000530773144 564893902 /nfs/dbraw/zinc/89/39/02/564893902.db2.gz MHKPXCHJISSVEL-UHFFFAOYSA-N 0 0 375.200 2.882 20 5 GFBDRN COC(=O)CCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000531002561 564898855 /nfs/dbraw/zinc/89/88/55/564898855.db2.gz DAGRRVIGPJEVDP-UHFFFAOYSA-N 0 0 390.845 2.602 20 5 GFBDRN NS(=O)(=O)c1c(NC[C@H]2SCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000531153236 564902795 /nfs/dbraw/zinc/90/27/95/564902795.db2.gz QVFHUFAGYYIHLR-OAHLLOKOSA-N 0 0 379.463 2.685 20 5 GFBDRN C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C2CC2)O1 ZINC000583787120 564906962 /nfs/dbraw/zinc/90/69/62/564906962.db2.gz XVBRZTZMVWPDDG-ZUZCIYMTSA-N 0 0 398.257 2.795 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000465502865 564928672 /nfs/dbraw/zinc/92/86/72/564928672.db2.gz YMSPFFDTMGMECL-SECBINFHSA-N 0 0 395.300 2.840 20 5 GFBDRN CCC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1CCOC ZINC000499660369 564933629 /nfs/dbraw/zinc/93/36/29/564933629.db2.gz YCDOHVDAXLVQLZ-LBPRGKRZSA-N 0 0 387.278 2.689 20 5 GFBDRN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000532332975 564934786 /nfs/dbraw/zinc/93/47/86/564934786.db2.gz PGYRKQYMFWAYAC-UHFFFAOYSA-N 0 0 380.809 2.508 20 5 GFBDRN CCOC(=O)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000466284649 564936514 /nfs/dbraw/zinc/93/65/14/564936514.db2.gz BAQHRNBMTBNLIQ-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN CN(C)c1cc(Br)cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000559979236 564943109 /nfs/dbraw/zinc/94/31/09/564943109.db2.gz KAWZKROMBGSBTP-UHFFFAOYSA-N 0 0 393.201 2.874 20 5 GFBDRN COC[C@H]1CCCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000466553416 564943482 /nfs/dbraw/zinc/94/34/82/564943482.db2.gz RWCSVIAXWLWOEP-LBPRGKRZSA-N 0 0 376.862 2.994 20 5 GFBDRN CN(c1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000532762618 564944893 /nfs/dbraw/zinc/94/48/93/564944893.db2.gz WXCGKCOCVFJCAJ-UHFFFAOYSA-N 0 0 378.229 2.639 20 5 GFBDRN CN(CC[C@H]1CCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000466846145 564948633 /nfs/dbraw/zinc/94/86/33/564948633.db2.gz ASWAMHAKCJZTQD-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN COc1ccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000560211146 564953252 /nfs/dbraw/zinc/95/32/52/564953252.db2.gz KKELXGJNUGCVKH-UHFFFAOYSA-N 0 0 394.181 2.943 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3c(Cl)ccc(F)c32)c([N+](=O)[O-])n1 ZINC000533176044 564957379 /nfs/dbraw/zinc/95/73/79/564957379.db2.gz KRGINOQLMVOCJC-UHFFFAOYSA-N 0 0 388.808 2.745 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270278 564959310 /nfs/dbraw/zinc/95/93/10/564959310.db2.gz ZUYVVCMAJFTBNC-CQSZACIVSA-N 0 0 384.845 2.894 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000467390917 564961635 /nfs/dbraw/zinc/96/16/35/564961635.db2.gz ABBZTRWMKXSQJR-GFCCVEGCSA-N 0 0 375.497 2.607 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000467421487 564963497 /nfs/dbraw/zinc/96/34/97/564963497.db2.gz XCXOXOSZBNWXJI-UHFFFAOYSA-N 0 0 398.388 2.544 20 5 GFBDRN CCOc1cc(Cl)ccc1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533560836 564966000 /nfs/dbraw/zinc/96/60/00/564966000.db2.gz MFFIJVIKQLALLI-UHFFFAOYSA-N 0 0 385.829 2.906 20 5 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382.463 2.899 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c(F)cc1[N+](=O)[O-] ZINC000601415492 565782739 /nfs/dbraw/zinc/78/27/39/565782739.db2.gz FUTAXHDXFCQXOX-LLVKDONJSA-N 0 0 388.808 2.528 20 5 GFBDRN O=C(c1cscc1Cl)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601599798 565794753 /nfs/dbraw/zinc/79/47/53/565794753.db2.gz BZTCBDAEVMTAQY-UHFFFAOYSA-N 0 0 379.825 2.908 20 5 GFBDRN CSC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601697485 565798796 /nfs/dbraw/zinc/79/87/96/565798796.db2.gz ZQGMWHZBZXKWKH-GFCCVEGCSA-N 0 0 383.495 2.615 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](C(F)F)CC1 ZINC000601798159 565803715 /nfs/dbraw/zinc/80/37/15/565803715.db2.gz GECMCDYQIBJKHL-LLVKDONJSA-N 0 0 379.157 2.854 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCC(Cn3cncn3)CC2)cc1Br ZINC000602622738 565858133 /nfs/dbraw/zinc/85/81/33/565858133.db2.gz LVSDEGSBLXMXPD-UHFFFAOYSA-N 0 0 386.275 2.923 20 5 GFBDRN C[C@H]1OCC[C@]12CN(Cc1cc(Br)c([N+](=O)[O-])s1)CCO2 ZINC000602652033 565861177 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CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1CCCC1 ZINC000610045392 566062433 /nfs/dbraw/zinc/06/24/33/566062433.db2.gz CJHOSWATPCAPPA-AWEZNQCLSA-N 0 0 398.257 2.734 20 5 GFBDRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000610588145 566088472 /nfs/dbraw/zinc/08/84/72/566088472.db2.gz GTASPDMDBMEPRE-NWDGAFQWSA-N 0 0 385.262 2.978 20 5 GFBDRN O=C(NCc1cc2c([nH]c1=O)CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572551 566088954 /nfs/dbraw/zinc/08/89/54/566088954.db2.gz NUTMXZRADMNVSZ-UHFFFAOYSA-N 0 0 392.209 2.877 20 5 GFBDRN CNS(=O)(=O)c1ccc(N[C@@H]2COc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000610710000 566093949 /nfs/dbraw/zinc/09/39/49/566093949.db2.gz VKWICMRQCROITM-CYBMUJFWSA-N 0 0 383.813 2.702 20 5 GFBDRN CC(C)c1nc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000611222571 566122242 /nfs/dbraw/zinc/12/22/42/566122242.db2.gz FEQSEUKRQBLWMO-HNNXBMFYSA-N 0 0 382.467 2.878 20 5 GFBDRN CCOC(=O)CCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000611281625 566124261 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0 0 382.360 2.552 20 5 GFBDRN Cc1nnc(Oc2ccc(Br)cc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000822514076 599053919 /nfs/dbraw/zinc/05/39/19/599053919.db2.gz BIZQIBGEZJHGFB-UHFFFAOYSA-N 0 0 392.173 2.737 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@H](O)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000823640000 599109995 /nfs/dbraw/zinc/10/99/95/599109995.db2.gz ONWBITROVHCDSK-KSSFIOAISA-N 0 0 380.408 2.867 20 5 GFBDRN CN(Cc1ccccc1Br)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821614428 599144484 /nfs/dbraw/zinc/14/44/84/599144484.db2.gz FRMASBXJTQWGGI-UHFFFAOYSA-N 0 0 390.201 2.569 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(-c2nn[nH]n2)cc1F ZINC000737283339 599173741 /nfs/dbraw/zinc/17/37/41/599173741.db2.gz QWOIQRCOYZBIRE-UHFFFAOYSA-N 0 0 388.384 2.953 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000737970578 599178486 /nfs/dbraw/zinc/17/84/86/599178486.db2.gz XEQMZDCJARWJDK-UHFFFAOYSA-N 0 0 384.421 2.896 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNc2cc(-c3nn[nH]n3)nc3ccccc32)cc1 ZINC000738369600 599260066 /nfs/dbraw/zinc/26/00/66/599260066.db2.gz JTHWFPUFZBWDQN-UHFFFAOYSA-N 0 0 376.380 2.847 20 5 GFBDRN O=Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccc1Br ZINC000823557836 607306295 /nfs/dbraw/zinc/30/62/95/607306295.db2.gz RZBPWNPAWVYXKK-UHFFFAOYSA-N 0 0 391.141 2.537 20 5 GFBDRN O=C(CNc1ccc(-c2nn[nH]n2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737899525 599279464 /nfs/dbraw/zinc/27/94/64/599279464.db2.gz RMBKRVLWBPPLBP-UHFFFAOYSA-N 0 0 388.771 2.584 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823639855 607331484 /nfs/dbraw/zinc/33/14/84/607331484.db2.gz JFMDEXFKSZAKLC-NSHDSACASA-N 0 0 376.442 2.632 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(Cc3ccc(F)cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370253 598245670 /nfs/dbraw/zinc/24/56/70/598245670.db2.gz SRFCGFLEBSHLIY-UHFFFAOYSA-N 0 0 383.387 2.768 20 5 GFBDRN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(-c2nn[nH]n2)cc1F ZINC000736738654 598278635 /nfs/dbraw/zinc/27/86/35/598278635.db2.gz FUJRDTHKMCPPRH-UHFFFAOYSA-N 0 0 395.354 2.532 20 5 GFBDRN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736750184 598281054 /nfs/dbraw/zinc/28/10/54/598281054.db2.gz VXXQOEAOHXUJMV-UHFFFAOYSA-N 0 0 382.311 2.937 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738360309 598459171 /nfs/dbraw/zinc/45/91/71/598459171.db2.gz VLTGDCFLYYPUGI-CQSZACIVSA-N 0 0 394.391 2.888 20 5 GFBDRN COCCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1Cl ZINC000737016328 598499656 /nfs/dbraw/zinc/49/96/56/598499656.db2.gz WGTVNGDEPNXFEB-UHFFFAOYSA-N 0 0 391.775 2.592 20 5 GFBDRN CCc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)n1 ZINC000736700851 598500664 /nfs/dbraw/zinc/50/06/64/598500664.db2.gz XKHIJTQNYWFPSV-JTQLQIEISA-N 0 0 386.441 2.573 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000737374229 598545373 /nfs/dbraw/zinc/54/53/73/598545373.db2.gz ZFYIPKPSPTUXCK-UHFFFAOYSA-N 0 0 390.306 2.937 20 5 GFBDRN O=[N+]([O-])c1ccccc1N1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000738368633 598630050 /nfs/dbraw/zinc/63/00/50/598630050.db2.gz GKMFSQPJYLTHIU-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN CC(C)C[C@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccn1 ZINC000735760546 598675122 /nfs/dbraw/zinc/67/51/22/598675122.db2.gz CYNQVYNJBUKIEE-LBPRGKRZSA-N 0 0 398.427 2.990 20 5 GFBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccccc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000737616130 598743644 /nfs/dbraw/zinc/74/36/44/598743644.db2.gz OCQXWDUKBMBWTA-UHFFFAOYSA-N 0 0 391.347 2.532 20 5 GFBDRN O=[N+]([O-])c1cccc(N2CCN(c3ccc(Cl)cc3-c3nn[nH]n3)CC2)c1 ZINC000738370714 598793416 /nfs/dbraw/zinc/79/34/16/598793416.db2.gz YDRWODIGKOXDEL-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN O=C(COc1ccccc1-c1nn[nH]n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737929711 599343449 /nfs/dbraw/zinc/34/34/49/599343449.db2.gz HCMNKUOBVUZTAJ-UHFFFAOYSA-N 0 0 389.755 2.551 20 5 GFBDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820455140 599356561 /nfs/dbraw/zinc/35/65/61/599356561.db2.gz FBZHDFZWMOHWAV-NSHDSACASA-N 0 0 393.407 2.840 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@@H]3COc4ccccc43)cc(-c3nn[nH]n3)c2c1 ZINC000823645904 599504900 /nfs/dbraw/zinc/50/49/00/599504900.db2.gz VKPSHVZVVVGDJX-OAHLLOKOSA-N 0 0 375.348 2.869 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645161 599687642 /nfs/dbraw/zinc/68/76/42/599687642.db2.gz OVTJCSSWAJUUIT-UHFFFAOYSA-N 0 0 383.412 2.678 20 5 GFBDRN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000740095671 600365892 /nfs/dbraw/zinc/36/58/92/600365892.db2.gz LJVWHYMUMSAOEX-UHFFFAOYSA-N 0 0 378.385 2.656 20 5 GFBDRN C[NH+](C)[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000830581770 601108646 /nfs/dbraw/zinc/10/86/46/601108646.db2.gz QWBNBVWHEZGCNH-INIZCTEOSA-N 0 0 391.811 2.979 20 5 GFBDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921353 601370196 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Cc1cnc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)s1 ZINC000267913602 654951802 /nfs/dbraw/zinc/95/18/02/654951802.db2.gz BETYWIUHNDNDTI-UHFFFAOYSA-N 0 0 384.259 2.844 20 5 GFBDRN COCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267937152 654953066 /nfs/dbraw/zinc/95/30/66/654953066.db2.gz QULQUKJJJQSFFB-UHFFFAOYSA-N 0 0 375.194 2.995 20 5 GFBDRN C[C@@H](O)C[C@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000133392194 654963023 /nfs/dbraw/zinc/96/30/23/654963023.db2.gz UVGMHINOGIGVBP-NXEZZACHSA-N 0 0 382.360 2.628 20 5 GFBDRN CC(C)C(=O)NC[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268498350 654975105 /nfs/dbraw/zinc/97/51/05/654975105.db2.gz RGVFSKGZZBOMAN-LLVKDONJSA-N 0 0 385.262 2.741 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)c1C ZINC000268772687 654986235 /nfs/dbraw/zinc/98/62/35/654986235.db2.gz FQNFZOIFZHAPKF-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCSCCCO)cc1[N+](=O)[O-] ZINC000134212411 654986617 /nfs/dbraw/zinc/98/66/17/654986617.db2.gz SJLNMUVOJXSGAG-UHFFFAOYSA-N 0 0 377.260 2.511 20 5 GFBDRN O=C(NC1CCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000269123963 654998599 /nfs/dbraw/zinc/99/85/99/654998599.db2.gz IISKQQREBSDEQK-UHFFFAOYSA-N 0 0 384.230 2.604 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000269151553 654999989 /nfs/dbraw/zinc/99/99/89/654999989.db2.gz SDQFGCYWAOIBPC-QMTHXVAHSA-N 0 0 392.886 2.581 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000269155892 655000021 /nfs/dbraw/zinc/00/00/21/655000021.db2.gz UVLJLWSJVJJMNW-QMTHXVAHSA-N 0 0 392.886 2.581 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000135006778 655007301 /nfs/dbraw/zinc/00/73/01/655007301.db2.gz FJQPKANRBGCQHR-AWEZNQCLSA-N 0 0 388.804 2.708 20 5 GFBDRN O=C(Nc1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1I ZINC000135074399 655008802 /nfs/dbraw/zinc/00/88/02/655008802.db2.gz VZNQCIHQHKUYKQ-UHFFFAOYSA-N 0 0 387.108 2.986 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCC3)C2)c(Br)c1 ZINC000269505665 655011760 /nfs/dbraw/zinc/01/17/60/655011760.db2.gz RINBBDDQZRYAHV-UHFFFAOYSA-N 0 0 375.244 2.922 20 5 GFBDRN C[C@@H]1CC[C@@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000838741265 661055591 /nfs/dbraw/zinc/05/55/91/661055591.db2.gz OMHPDAITCUXUKB-MNOVXSKESA-N 0 0 398.257 2.993 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000269710212 655018293 /nfs/dbraw/zinc/01/82/93/655018293.db2.gz BTHCEHVVVKRBQF-UHFFFAOYSA-N 0 0 387.801 2.564 20 5 GFBDRN Cc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1[N+](=O)[O-] ZINC000093900357 655021923 /nfs/dbraw/zinc/02/19/23/655021923.db2.gz HLIDOHAMLLYNDU-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(N2CCOCC2)nc1 ZINC000096581354 655031744 /nfs/dbraw/zinc/03/17/44/655031744.db2.gz URUIRQNKISXMKE-UHFFFAOYSA-N 0 0 380.202 2.728 20 5 GFBDRN COC(=O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC000151165390 655048501 /nfs/dbraw/zinc/04/85/01/655048501.db2.gz DSBGZBDRQYUTND-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N(C)Cc1ccccc1F ZINC000102202449 655052605 /nfs/dbraw/zinc/05/26/05/655052605.db2.gz LFVQSPVURKGBFJ-UHFFFAOYSA-N 0 0 385.193 2.660 20 5 GFBDRN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCc2sccc2C1 ZINC000102272431 655053276 /nfs/dbraw/zinc/05/32/76/655053276.db2.gz TYPHGJNIMLARSU-UHFFFAOYSA-N 0 0 379.825 2.624 20 5 GFBDRN O=C(Cn1cc(Br)cn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270740265 655054699 /nfs/dbraw/zinc/05/46/99/655054699.db2.gz XGQWJSGOXTUYOT-UHFFFAOYSA-N 0 0 379.214 2.745 20 5 GFBDRN Cc1c(Br)cc(C(=O)O[C@@H]2[C@H]3C[C@@H]4C(=O)O[C@@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000838944415 661064393 /nfs/dbraw/zinc/06/43/93/661064393.db2.gz RRHGRTDWLVBZRS-AJEDLNFOSA-N 0 0 396.193 2.773 20 5 GFBDRN Cc1nc(CN2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)oc1C ZINC000270939280 655060749 /nfs/dbraw/zinc/06/07/49/655060749.db2.gz JKOFGTRDVIJZQX-UHFFFAOYSA-N 0 0 396.245 2.679 20 5 GFBDRN COC(=O)c1cccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000271364595 655077786 /nfs/dbraw/zinc/07/77/86/655077786.db2.gz JFAPYFUYQCCJGA-UHFFFAOYSA-N 0 0 384.435 2.501 20 5 GFBDRN O=[N+]([O-])c1ncccc1OS(=O)(=O)c1cc(F)ccc1Br ZINC000155086420 655080826 /nfs/dbraw/zinc/08/08/26/655080826.db2.gz KEATUVDMKZYBHG-UHFFFAOYSA-N 0 0 377.147 2.659 20 5 GFBDRN O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000271447258 655081496 /nfs/dbraw/zinc/08/14/96/655081496.db2.gz RFYMCDLUALDRJD-LLVKDONJSA-N 0 0 385.214 2.773 20 5 GFBDRN CN(CC(=O)Nc1ccc(Br)cn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000104689498 655084387 /nfs/dbraw/zinc/08/43/87/655084387.db2.gz CDIKBELRTQAFBN-UHFFFAOYSA-N 0 0 397.204 2.962 20 5 GFBDRN O=C(CCNC(=O)c1ccco1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000156644882 655094524 /nfs/dbraw/zinc/09/45/24/655094524.db2.gz HJHAINPJFGNBQZ-UHFFFAOYSA-N 0 0 382.170 2.709 20 5 GFBDRN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1Cn1nccc1[N+](=O)[O-] ZINC000156948516 655097458 /nfs/dbraw/zinc/09/74/58/655097458.db2.gz CTLOUIADCNQCGY-ABAIWWIYSA-N 0 0 381.230 2.973 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157918424 655103424 /nfs/dbraw/zinc/10/34/24/655103424.db2.gz PQRZZLXRZAYIDE-JQWIXIFHSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nnc(C(C)(C)C)s1 ZINC000272167334 655104783 /nfs/dbraw/zinc/10/47/83/655104783.db2.gz GDSQZKGYELKFTK-UHFFFAOYSA-N 0 0 388.446 2.670 20 5 GFBDRN COc1cc(CSc2nnc(N)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381281 655110799 /nfs/dbraw/zinc/11/07/99/655110799.db2.gz BNDMCSKKVWKJPP-UHFFFAOYSA-N 0 0 378.382 2.973 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000159044916 655111065 /nfs/dbraw/zinc/11/10/65/655111065.db2.gz KZMKYTUXHYWJTP-AWEZNQCLSA-N 0 0 388.804 2.708 20 5 GFBDRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272432443 655112599 /nfs/dbraw/zinc/11/25/99/655112599.db2.gz ZAHRMZSLRIVUMT-QPUJVOFHSA-N 0 0 378.435 2.903 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Br)cc1 ZINC000106971886 655116038 /nfs/dbraw/zinc/11/60/38/655116038.db2.gz AZQYRNLTOOMYHK-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN CCc1ccc([C@H]2COCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC000272809833 655121907 /nfs/dbraw/zinc/12/19/07/655121907.db2.gz GTZSOKZEUFWPQC-GFCCVEGCSA-N 0 0 386.451 2.793 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000273417416 655142624 /nfs/dbraw/zinc/14/26/24/655142624.db2.gz JYUSMKCQTSRDRI-UHFFFAOYSA-N 0 0 387.223 2.660 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000109620892 655149118 /nfs/dbraw/zinc/14/91/18/655149118.db2.gz NNWSNKLDSMZPRY-UHFFFAOYSA-N 0 0 397.229 2.842 20 5 GFBDRN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@]12CCCO2 ZINC000273641275 655151925 /nfs/dbraw/zinc/15/19/25/655151925.db2.gz HIPCAXFBODUAMH-LZWOXQAQSA-N 0 0 399.241 2.814 20 5 GFBDRN NC(=O)CCn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nnc1C1CC1 ZINC000172023750 655155967 /nfs/dbraw/zinc/15/59/67/655155967.db2.gz DKJMNUHEURRWJB-UHFFFAOYSA-N 0 0 381.845 2.885 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111354322 655170526 /nfs/dbraw/zinc/17/05/26/655170526.db2.gz YPSYZVNVWGXPBB-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000173639064 655175739 /nfs/dbraw/zinc/17/57/39/655175739.db2.gz NTKXSECHSLEWOF-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839601822 661095003 /nfs/dbraw/zinc/09/50/03/661095003.db2.gz UAQSBLPZQGULIM-UFBFGSQYSA-N 0 0 381.738 2.838 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)c1ccc(Br)nc1 ZINC000173844933 655182477 /nfs/dbraw/zinc/18/24/77/655182477.db2.gz RYSCCWCJJTUKNK-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCSC[C@@H]1c1nccs1 ZINC000274433857 655188338 /nfs/dbraw/zinc/18/83/38/655188338.db2.gz CNMRPEXGFBBZSO-LLVKDONJSA-N 0 0 389.455 2.669 20 5 GFBDRN CN(Cc1csc(CS(C)(=O)=O)n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514343 655221863 /nfs/dbraw/zinc/22/18/63/655221863.db2.gz BMOCERITDWITMX-UHFFFAOYSA-N 0 0 389.886 2.881 20 5 GFBDRN O=[N+]([O-])c1cccc(CN2CCC(Cn3cncn3)CC2)c1Br ZINC000839564331 661092229 /nfs/dbraw/zinc/09/22/29/661092229.db2.gz PALOLRWKZQBCAM-UHFFFAOYSA-N 0 0 380.246 2.861 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1C ZINC000115313029 655234460 /nfs/dbraw/zinc/23/44/60/655234460.db2.gz QVXKSPIDWHFFCX-XMMPIXPASA-N 0 0 382.463 2.891 20 5 GFBDRN CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000115587980 655239855 /nfs/dbraw/zinc/23/98/55/655239855.db2.gz QBCFFSSBGWHAIY-AWEZNQCLSA-N 0 0 381.479 2.946 20 5 GFBDRN O=[N+]([O-])c1ccc2oc(CSc3nnc(N4CCOCC4)s3)nc2c1 ZINC000176939061 655262901 /nfs/dbraw/zinc/26/29/01/655262901.db2.gz SBHDGLLPBICBNP-UHFFFAOYSA-N 0 0 379.423 2.716 20 5 GFBDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177061728 655266671 /nfs/dbraw/zinc/26/66/71/655266671.db2.gz UTQANKCUYLPMAH-LLVKDONJSA-N 0 0 398.257 2.736 20 5 GFBDRN CCc1cnc(CN(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000177130086 655269577 /nfs/dbraw/zinc/26/95/77/655269577.db2.gz GRRSHQCNBBHSRQ-UHFFFAOYSA-N 0 0 382.829 2.864 20 5 GFBDRN C[C@@H]1SCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000118441128 655276447 /nfs/dbraw/zinc/27/64/47/655276447.db2.gz AYJDAAWRQVLUJG-IUCAKERBSA-N 0 0 395.300 2.872 20 5 GFBDRN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118689048 655280990 /nfs/dbraw/zinc/28/09/90/655280990.db2.gz LGOJTPIDKWSPTF-VIFPVBQESA-N 0 0 384.223 2.962 20 5 GFBDRN CSCC[C@@H](CO)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000118970569 655285186 /nfs/dbraw/zinc/28/51/86/655285186.db2.gz XPFUTPQCWOXXLM-JTQLQIEISA-N 0 0 377.260 2.510 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000276920025 655293238 /nfs/dbraw/zinc/29/32/38/655293238.db2.gz KSNROHKFVIJXMC-SECBINFHSA-N 0 0 395.300 2.873 20 5 GFBDRN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000276965939 655295451 /nfs/dbraw/zinc/29/54/51/655295451.db2.gz DSPUCRSTYMCKSF-UHFFFAOYSA-N 0 0 384.841 2.950 20 5 GFBDRN CCOC1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000178310525 655301481 /nfs/dbraw/zinc/30/14/81/655301481.db2.gz DOJUCTSRTYJMPG-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN CN(Cc1ccc(Br)o1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119534378 655305995 /nfs/dbraw/zinc/30/59/95/655305995.db2.gz RBDWUAKZJJFWGP-UHFFFAOYSA-N 0 0 381.229 2.833 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cs1 ZINC000119702767 655311708 /nfs/dbraw/zinc/31/17/08/655311708.db2.gz UPAMLURWZNXNCV-ZDUSSCGKSA-N 0 0 390.389 2.697 20 5 GFBDRN CCc1ccc(N2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000119889252 655319808 /nfs/dbraw/zinc/31/98/08/655319808.db2.gz VSRKSFZVJQDJQE-UHFFFAOYSA-N 0 0 381.479 2.730 20 5 GFBDRN C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000119901344 655320434 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O=[N+]([O-])c1cccc(F)c1N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000287011588 563583788 /nfs/dbraw/zinc/58/37/88/563583788.db2.gz VAFGXXXNEGMXLY-UHFFFAOYSA-N 0 0 377.323 2.931 20 5 GFBDRN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)S1(=O)=O ZINC000287038806 563584833 /nfs/dbraw/zinc/58/48/33/563584833.db2.gz RYTPBCCLVDQJRX-MWLCHTKSSA-N 0 0 375.834 2.678 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000432494240 563585781 /nfs/dbraw/zinc/58/57/81/563585781.db2.gz DHQTZOSGNZBULM-LBPRGKRZSA-N 0 0 382.825 2.669 20 5 GFBDRN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2cccnc21 ZINC000432756547 563592123 /nfs/dbraw/zinc/59/21/23/563592123.db2.gz YTCROZDBMVZDJC-UHFFFAOYSA-N 0 0 377.198 2.849 20 5 GFBDRN Cc1cc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000332444707 563599011 /nfs/dbraw/zinc/59/90/11/563599011.db2.gz JNGYZFOFTKJJGL-UHFFFAOYSA-N 0 0 384.845 2.848 20 5 GFBDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000411680042 563629623 /nfs/dbraw/zinc/62/96/23/563629623.db2.gz UMLPZBYNXLOXMF-IUODEOHRSA-N 0 0 384.230 2.847 20 5 GFBDRN CC(C)NS(=O)(=O)c1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000434952678 563640696 /nfs/dbraw/zinc/64/06/96/563640696.db2.gz YTWJZYRTPFSRKT-UHFFFAOYSA-N 0 0 384.845 2.942 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288421550 563642331 /nfs/dbraw/zinc/64/23/31/563642331.db2.gz NVKOVBIXIXWLPW-LURJTMIESA-N 0 0 398.135 2.671 20 5 GFBDRN CCCc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1N ZINC000288522718 563646521 /nfs/dbraw/zinc/64/65/21/563646521.db2.gz WCJLKNCQRLPLEG-MRVPVSSYSA-N 0 0 384.849 2.625 20 5 GFBDRN CCCNC(=O)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435323610 563647632 /nfs/dbraw/zinc/64/76/32/563647632.db2.gz NVMQGCBPIZSHAF-UHFFFAOYSA-N 0 0 387.234 2.704 20 5 GFBDRN Cc1c(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435330304 563648186 /nfs/dbraw/zinc/64/81/86/563648186.db2.gz FQRXVVOQOZQUBW-PSASIEDQSA-N 0 0 399.245 2.783 20 5 GFBDRN CC(C)c1cnc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000436195876 563667630 /nfs/dbraw/zinc/66/76/30/563667630.db2.gz FWIIYMZVMDVKDO-UHFFFAOYSA-N 0 0 384.483 2.524 20 5 GFBDRN CS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)n1 ZINC000350256536 563670128 /nfs/dbraw/zinc/67/01/28/563670128.db2.gz VOLKEFGBJUVNON-UHFFFAOYSA-N 0 0 386.798 2.825 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000412816052 563670288 /nfs/dbraw/zinc/67/02/88/563670288.db2.gz BLCDOMVBHDBKIP-PLMOITTCSA-N 0 0 378.759 2.680 20 5 GFBDRN COC(=O)[C@]1(C)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000412935431 563675475 /nfs/dbraw/zinc/67/54/75/563675475.db2.gz PZKYUISSNYMZPD-OAHLLOKOSA-N 0 0 385.214 2.773 20 5 GFBDRN CC[C@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289899838 563690191 /nfs/dbraw/zinc/69/01/91/563690191.db2.gz PRNLXQNQNTYAGV-AWEZNQCLSA-N 0 0 380.825 2.561 20 5 GFBDRN Cc1c(CS(=O)(=O)Cc2nc(CC(F)(F)F)no2)cccc1[N+](=O)[O-] ZINC000437238329 563690914 /nfs/dbraw/zinc/69/09/14/563690914.db2.gz SZCANZNPSZTTPE-UHFFFAOYSA-N 0 0 379.316 2.506 20 5 GFBDRN O=C(NCCOc1ncccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437337285 563693669 /nfs/dbraw/zinc/69/36/69/563693669.db2.gz AOXKQSZAHGHTOC-UHFFFAOYSA-N 0 0 384.161 2.700 20 5 GFBDRN Cc1c(Br)c(NC[C@H](CO)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000413545046 563696661 /nfs/dbraw/zinc/69/66/61/563696661.db2.gz ODIRELDJVZNLKB-LLVKDONJSA-N 0 0 384.205 2.810 20 5 GFBDRN CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290634086 563716155 /nfs/dbraw/zinc/71/61/55/563716155.db2.gz CWBGHKGVPHLFAM-PELKAZGASA-N 0 0 383.253 2.683 20 5 GFBDRN CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439077113 563716822 /nfs/dbraw/zinc/71/68/22/563716822.db2.gz KJFHUCGXXVPBOD-MGCOHNPYSA-N 0 0 383.253 2.826 20 5 GFBDRN CCc1nnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000290641308 563717156 /nfs/dbraw/zinc/71/71/56/563717156.db2.gz DKOGJOWMYYJTBS-ZCFIWIBFSA-N 0 0 394.240 2.622 20 5 GFBDRN CCCCOCCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000439249293 563720429 /nfs/dbraw/zinc/72/04/29/563720429.db2.gz RNBFJQUGYBMOES-UHFFFAOYSA-N 0 0 395.275 2.761 20 5 GFBDRN Cc1nn(C)c(C(=O)N(C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000291011226 563729523 /nfs/dbraw/zinc/72/95/23/563729523.db2.gz FCGGFAJELADHHC-UHFFFAOYSA-N 0 0 381.230 2.714 20 5 GFBDRN Cc1c(CS(=O)(=O)Cc2nn(C)cc2Br)cccc1[N+](=O)[O-] ZINC000414408413 563734219 /nfs/dbraw/zinc/73/42/19/563734219.db2.gz GTSLAMOSFQGMAY-UHFFFAOYSA-N 0 0 388.243 2.514 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CC(Cc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000363994882 563739132 /nfs/dbraw/zinc/73/91/32/563739132.db2.gz GQRZTWRCZCSHNS-UHFFFAOYSA-N 0 0 381.841 2.575 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)C2)c1 ZINC000364305787 563748782 /nfs/dbraw/zinc/74/87/82/563748782.db2.gz SNXVKNYHZBPKAI-LLVKDONJSA-N 0 0 388.808 2.610 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000364488608 563754209 /nfs/dbraw/zinc/75/42/09/563754209.db2.gz OIJSZHSVBNLIAH-KGLIPLIRSA-N 0 0 397.225 2.568 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1Cn1ccnn1 ZINC000364685485 563762047 /nfs/dbraw/zinc/76/20/47/563762047.db2.gz YXPYHGVHHZDSDF-LBPRGKRZSA-N 0 0 394.229 2.644 20 5 GFBDRN Cc1nnc2n1C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000291890488 563763424 /nfs/dbraw/zinc/76/34/24/563763424.db2.gz JBPHWTVVPXIBQX-VIFPVBQESA-N 0 0 384.223 2.794 20 5 GFBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442760688 563778653 /nfs/dbraw/zinc/77/86/53/563778653.db2.gz NUZIJFZMQVDFRY-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365460755 563784601 /nfs/dbraw/zinc/78/46/01/563784601.db2.gz LBARVXOSQZYHDA-VIFPVBQESA-N 0 0 399.270 2.950 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C[C@@H](C)O2 ZINC000365766012 563792911 /nfs/dbraw/zinc/79/29/11/563792911.db2.gz OAZQLIDHDQERIF-OHUAYANFSA-N 0 0 399.241 2.766 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2nccs2)C(F)(F)F)c1 ZINC000293031090 563798790 /nfs/dbraw/zinc/79/87/90/563798790.db2.gz RNFVWUBKLWFXGQ-CMPLNLGQSA-N 0 0 377.344 2.684 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](CO)c1c(F)cccc1F ZINC000443290862 563799266 /nfs/dbraw/zinc/79/92/66/563799266.db2.gz ZNFHCJFIJGTECM-LLVKDONJSA-N 0 0 392.767 2.538 20 5 GFBDRN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000293131802 563801753 /nfs/dbraw/zinc/80/17/53/563801753.db2.gz VYQOPXMBVHQHEY-LBPRGKRZSA-N 0 0 390.845 2.748 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000443364792 563803079 /nfs/dbraw/zinc/80/30/79/563803079.db2.gz BDOYUDTWUHSRCZ-HUUCEWRRSA-N 0 0 376.862 2.776 20 5 GFBDRN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000366283150 563803847 /nfs/dbraw/zinc/80/38/47/563803847.db2.gz KNNKFKKTQVWXJN-ZBEGNZNMSA-N 0 0 382.463 2.778 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOc1ccccc1Cl ZINC000443755474 563811766 /nfs/dbraw/zinc/81/17/66/563811766.db2.gz YXQUQIZFECEGLK-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1c[nH]c2ncccc12 ZINC000443760173 563811886 /nfs/dbraw/zinc/81/18/86/563811886.db2.gz UZYDHGXLMRXLKU-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN CCC[C@]1(C(=O)OCC)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000443977272 563816860 /nfs/dbraw/zinc/81/68/60/563816860.db2.gz CSXVHXINCZDIQL-OAHLLOKOSA-N 0 0 390.483 2.851 20 5 GFBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3ccc(F)cc3Cl)nc2c1 ZINC000443988751 563817651 /nfs/dbraw/zinc/81/76/51/563817651.db2.gz JSRMQECLXNTABX-UHFFFAOYSA-N 0 0 384.776 2.742 20 5 GFBDRN C[C@H]1C[C@@H](O)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000293600809 563820140 /nfs/dbraw/zinc/82/01/40/563820140.db2.gz BVBDPMLEQYWOLE-CBAPKCEASA-N 0 0 377.622 2.996 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000416388995 563822014 /nfs/dbraw/zinc/82/20/14/563822014.db2.gz MGFZLODNNSIOTM-MWLCHTKSSA-N 0 0 382.360 2.802 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000444280912 563827265 /nfs/dbraw/zinc/82/72/65/563827265.db2.gz UVNAEVNHJJHNMI-GFCCVEGCSA-N 0 0 381.479 2.552 20 5 GFBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294174540 563832808 /nfs/dbraw/zinc/83/28/08/563832808.db2.gz VZXXGXWWWGBAAC-SNVBAGLBSA-N 0 0 386.246 2.640 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2cn3c(n2)CCCC3)cc1F ZINC000367206976 563836157 /nfs/dbraw/zinc/83/61/57/563836157.db2.gz VRNKMQGIKFDLKO-UHFFFAOYSA-N 0 0 375.765 2.688 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294359206 563839677 /nfs/dbraw/zinc/83/96/77/563839677.db2.gz MKWJIJDYOLXHEJ-UHFFFAOYSA-N 0 0 386.246 2.648 20 5 GFBDRN C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416559714 563848527 /nfs/dbraw/zinc/84/85/27/563848527.db2.gz LGTIQKMRIITUOO-UHFFFAOYSA-N 0 0 387.458 2.548 20 5 GFBDRN CN(C)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000445521831 563850418 /nfs/dbraw/zinc/85/04/18/563850418.db2.gz SSSXJSUOQNQXFU-UHFFFAOYSA-N 0 0 393.241 2.677 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000416602365 563852018 /nfs/dbraw/zinc/85/20/18/563852018.db2.gz XCCBAJYYNZGFQK-IONNQARKSA-N 0 0 395.300 2.838 20 5 GFBDRN C[C@H]1[C@@H](CO)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416632794 563856055 /nfs/dbraw/zinc/85/60/55/563856055.db2.gz GFBVNBNEGPJVHR-DTWKUNHWSA-N 0 0 383.253 2.683 20 5 GFBDRN COC(=O)c1cc(Br)cc(NCc2c([N+](=O)[O-])ncn2C)c1C ZINC000417077254 563867570 /nfs/dbraw/zinc/86/75/70/563867570.db2.gz LCRNPSIAHJHVPP-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000417077421 563867787 /nfs/dbraw/zinc/86/77/87/563867787.db2.gz OSQQOHSAYLDLAE-WAAGHKOSSA-N 0 0 386.202 2.739 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2F)c2ccsc2S1(=O)=O ZINC000368312417 563868317 /nfs/dbraw/zinc/86/83/17/563868317.db2.gz MACLTYJNZTXBOT-KWQFWETISA-N 0 0 384.410 2.832 20 5 GFBDRN CSCCN(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000446849291 563869250 /nfs/dbraw/zinc/86/92/50/563869250.db2.gz MPRZSWGVJIIIRV-UHFFFAOYSA-N 0 0 387.527 2.959 20 5 GFBDRN O=C(c1cc(Br)ccc1O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412178 563869788 /nfs/dbraw/zinc/86/97/88/563869788.db2.gz LERKUYOLIINAEF-LLVKDONJSA-N 0 0 395.213 2.737 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cnc3ccsc3c1)CC2 ZINC000447157134 563875877 /nfs/dbraw/zinc/87/58/77/563875877.db2.gz MLILLBCGWUDTRS-UHFFFAOYSA-N 0 0 375.431 2.952 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000447935777 563891301 /nfs/dbraw/zinc/89/13/01/563891301.db2.gz JQUQHFCTPSHYKN-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000563565758 564197375 /nfs/dbraw/zinc/19/73/75/564197375.db2.gz NRPRVWWGUCKDFC-GFCCVEGCSA-N 0 0 398.257 2.736 20 5 GFBDRN CS(=O)(=O)c1ccc(OCCCOc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000506414672 564202651 /nfs/dbraw/zinc/20/26/51/564202651.db2.gz DNHFIPPDSGXYMA-UHFFFAOYSA-N 0 0 386.813 2.895 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](CO)c1cccc(F)c1 ZINC000538870851 564204239 /nfs/dbraw/zinc/20/42/39/564204239.db2.gz BHBGOVRWUBNCLB-OAHLLOKOSA-N 0 0 397.200 2.889 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCOCC(F)(F)C1 ZINC000563769420 564206050 /nfs/dbraw/zinc/20/60/50/564206050.db2.gz HIURZWHCVWIMPM-UHFFFAOYSA-N 0 0 380.145 2.857 20 5 GFBDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000472931552 564237427 /nfs/dbraw/zinc/23/74/27/564237427.db2.gz WAVZXORQOTVXFD-IONNQARKSA-N 0 0 379.722 2.986 20 5 GFBDRN C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000507891269 564246774 /nfs/dbraw/zinc/24/67/74/564246774.db2.gz IEBPLBZSARGZIE-DTWKUNHWSA-N 0 0 382.269 2.615 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CC(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000450832023 564249606 /nfs/dbraw/zinc/24/96/06/564249606.db2.gz UVEBXKNQIIBSEA-UHFFFAOYSA-N 0 0 381.841 2.760 20 5 GFBDRN C[C@H](Cc1cnn(C)c1)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000450844350 564251513 /nfs/dbraw/zinc/25/15/13/564251513.db2.gz PNBVCMGUAQZXRB-SECBINFHSA-N 0 0 386.193 2.976 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000450993645 564261423 /nfs/dbraw/zinc/26/14/23/564261423.db2.gz ATAUNYZWZFGFGV-LBPRGKRZSA-N 0 0 377.413 2.752 20 5 GFBDRN COc1cccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1OC ZINC000541172483 564268006 /nfs/dbraw/zinc/26/80/06/564268006.db2.gz BGFGRIRDCPWQQR-UHFFFAOYSA-N 0 0 386.451 2.732 20 5 GFBDRN CC(=O)Nc1ncccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000474211234 564270513 /nfs/dbraw/zinc/27/05/13/564270513.db2.gz AXWBQXNVBOBFNZ-UHFFFAOYSA-N 0 0 379.170 2.963 20 5 GFBDRN Cc1ccccc1OC[C@@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000541261494 564271721 /nfs/dbraw/zinc/27/17/21/564271721.db2.gz WESLHLHEZBSQCQ-LBPRGKRZSA-N 0 0 397.225 2.576 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000541310509 564273927 /nfs/dbraw/zinc/27/39/27/564273927.db2.gz VJKVCVSZPWLKBK-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000541447539 564280085 /nfs/dbraw/zinc/28/00/85/564280085.db2.gz CLWXGDXWJZNQGJ-JTQLQIEISA-N 0 0 387.179 2.577 20 5 GFBDRN COC(=O)c1ccc(Br)cc1Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000509076741 564280654 /nfs/dbraw/zinc/28/06/54/564280654.db2.gz YHJQPDXLTRZYBG-UHFFFAOYSA-N 0 0 381.182 2.662 20 5 GFBDRN C[C@@H](NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000509147777 564283636 /nfs/dbraw/zinc/28/36/36/564283636.db2.gz XIYLNLUKQCGFBD-LLVKDONJSA-N 0 0 382.825 2.899 20 5 GFBDRN Cc1c(Br)c(N2CCCC[C@@H]2CN2CCOCC2)ncc1[N+](=O)[O-] ZINC000541578427 564284138 /nfs/dbraw/zinc/28/41/38/564284138.db2.gz MMEOCPCYRABOBO-CYBMUJFWSA-N 0 0 399.289 2.752 20 5 GFBDRN Cc1c(Br)c(NC2CCC(S(C)(=O)=O)CC2)ncc1[N+](=O)[O-] ZINC000541578728 564284343 /nfs/dbraw/zinc/28/43/43/564284343.db2.gz LAPBXSOJKGNVQB-UHFFFAOYSA-N 0 0 392.275 2.828 20 5 GFBDRN CNS(=O)(=O)c1ccc(N[C@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474774916 564289532 /nfs/dbraw/zinc/28/95/32/564289532.db2.gz MWDQIGLZSLXDTA-ZDUSSCGKSA-N 0 0 383.813 2.702 20 5 GFBDRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCSC1 ZINC000475020312 564297604 /nfs/dbraw/zinc/29/76/04/564297604.db2.gz XVNOGOQWPPCDLE-SECBINFHSA-N 0 0 399.475 2.576 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465784 564301107 /nfs/dbraw/zinc/30/11/07/564301107.db2.gz TZVBJDZLNBTHKD-YPMHNXCESA-N 0 0 395.257 2.534 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cn1 ZINC000566021762 564306361 /nfs/dbraw/zinc/30/63/61/564306361.db2.gz ACHOTJMLZRRISZ-UHFFFAOYSA-N 0 0 393.241 2.865 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1Cl ZINC000542278865 564308509 /nfs/dbraw/zinc/30/85/09/564308509.db2.gz TVJQHKDIBQQBOR-ZDUSSCGKSA-N 0 0 386.191 2.884 20 5 GFBDRN CC(=O)NC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000542456383 564313475 /nfs/dbraw/zinc/31/34/75/564313475.db2.gz YRLXQKXAGXZGBI-UHFFFAOYSA-N 0 0 398.257 2.877 20 5 GFBDRN CC[C@H](C)[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000509831346 564314666 /nfs/dbraw/zinc/31/46/66/564314666.db2.gz ZXFCITCHQSZBSQ-ISVAXAHUSA-N 0 0 387.230 2.983 20 5 GFBDRN COC(=O)c1cccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000542508309 564316034 /nfs/dbraw/zinc/31/60/34/564316034.db2.gz SYUIREYNKCBJHB-UHFFFAOYSA-N 0 0 380.198 2.881 20 5 GFBDRN O=C1NC2(CCCC2)C(=O)N1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000475724400 564317703 /nfs/dbraw/zinc/31/77/03/564317703.db2.gz SURMLGBKAFTNRQ-UHFFFAOYSA-N 0 0 397.229 2.634 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1sccc1C1CC1 ZINC000542586997 564319508 /nfs/dbraw/zinc/31/95/08/564319508.db2.gz MDMDQVIHJNUIAJ-UHFFFAOYSA-N 0 0 380.447 2.737 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451648205 564334890 /nfs/dbraw/zinc/33/48/90/564334890.db2.gz OQYGBNVCVKLLDF-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCn1cnnc1C1CC1 ZINC000543287866 564344653 /nfs/dbraw/zinc/34/46/53/564344653.db2.gz MGWRMLOSFJITSV-UHFFFAOYSA-N 0 0 381.845 2.626 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451746657 564347642 /nfs/dbraw/zinc/34/76/42/564347642.db2.gz QWMWGTIUUGNAOI-HNNXBMFYSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c(Br)c(NCCCNC(=O)c2cccs2)ncc1[N+](=O)[O-] ZINC000543438927 564350440 /nfs/dbraw/zinc/35/04/40/564350440.db2.gz YNCVCJYMMJZKDU-UHFFFAOYSA-N 0 0 399.270 2.776 20 5 GFBDRN CC/C=C/CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000451781388 564350552 /nfs/dbraw/zinc/35/05/52/564350552.db2.gz XLFVWPVZDHBJQX-AATRIKPKSA-N 0 0 393.259 2.919 20 5 GFBDRN Cc1c(Br)c(N2CCC(c3cc(N)n[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000543437327 564350660 /nfs/dbraw/zinc/35/06/60/564350660.db2.gz TYOYEALFFQNTJX-UHFFFAOYSA-N 0 0 381.234 2.580 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000543455561 564351589 /nfs/dbraw/zinc/35/15/89/564351589.db2.gz WSRSPNNGYUHLPI-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN COC[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000451816010 564355552 /nfs/dbraw/zinc/35/55/52/564355552.db2.gz WTJZVCRIVCDWFI-CYBMUJFWSA-N 0 0 384.841 2.957 20 5 GFBDRN COc1cccc(Cl)c1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543621490 564356043 /nfs/dbraw/zinc/35/60/43/564356043.db2.gz RUORFCMBOPIMHI-UHFFFAOYSA-N 0 0 384.841 2.820 20 5 GFBDRN CC(C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831340 564357215 /nfs/dbraw/zinc/35/72/15/564357215.db2.gz ZNAGQUFLDJVFTL-SMDDNHRTSA-N 0 0 376.862 2.978 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000451842597 564358086 /nfs/dbraw/zinc/35/80/86/564358086.db2.gz URSIMHVVXPVFSU-CABZTGNLSA-N 0 0 382.360 2.659 20 5 GFBDRN CCCc1[nH]nc(C(=O)Nc2cc(OC)c(Br)cn2)c1[N+](=O)[O-] ZINC000477008587 564361770 /nfs/dbraw/zinc/36/17/70/564361770.db2.gz PURGOQNFVBDWJA-UHFFFAOYSA-N 0 0 384.190 2.689 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000477031276 564362614 /nfs/dbraw/zinc/36/26/14/564362614.db2.gz FFNCOBZCMCSEIE-UHFFFAOYSA-N 0 0 378.797 2.803 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893734 564363172 /nfs/dbraw/zinc/36/31/72/564363172.db2.gz CEAAZBZAYDOTDS-TZMCWYRMSA-N 0 0 383.451 2.558 20 5 GFBDRN CCn1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000451896715 564363714 /nfs/dbraw/zinc/36/37/14/564363714.db2.gz SMDBBDVUEUAUAI-SNVBAGLBSA-N 0 0 396.245 2.863 20 5 GFBDRN CCOc1cc(C(=O)Nc2ccncc2Br)c([N+](=O)[O-])cc1OC ZINC000543854543 564366873 /nfs/dbraw/zinc/36/68/73/564366873.db2.gz DAADXQRGGWEZIX-UHFFFAOYSA-N 0 0 396.197 2.834 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC2(CF)CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000567383946 564369077 /nfs/dbraw/zinc/36/90/77/564369077.db2.gz HWXFJKLCKSYVTC-UHFFFAOYSA-N 0 0 388.193 2.613 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511514074 564374403 /nfs/dbraw/zinc/37/44/03/564374403.db2.gz KZTPBZRFXUKGKR-UHFFFAOYSA-N 0 0 382.207 2.809 20 5 GFBDRN COC(=O)c1cc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)oc1C ZINC000544081966 564374551 /nfs/dbraw/zinc/37/45/51/564374551.db2.gz PLUMMNDXRFAZCC-UHFFFAOYSA-N 0 0 385.170 2.564 20 5 GFBDRN COC(=O)c1cnc(NCCOc2ncc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000477719537 564384777 /nfs/dbraw/zinc/38/47/77/564384777.db2.gz BSFMIJDXUVZETL-UHFFFAOYSA-N 0 0 387.179 2.969 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000452038486 564386155 /nfs/dbraw/zinc/38/61/55/564386155.db2.gz CYYVDONYOPYVDK-OAHLLOKOSA-N 0 0 390.458 2.650 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000544672665 564393675 /nfs/dbraw/zinc/39/36/75/564393675.db2.gz MPFFEDGPEVAXHP-OLZOCXBDSA-N 0 0 386.426 2.994 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCc1cc(Cl)ccc1Br ZINC000478128221 564396118 /nfs/dbraw/zinc/39/61/18/564396118.db2.gz LBPSVMXUINFDIY-UHFFFAOYSA-N 0 0 387.621 2.717 20 5 GFBDRN C[C@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000452185202 564398132 /nfs/dbraw/zinc/39/81/32/564398132.db2.gz YXLRNOMIIDGJBP-NSHDSACASA-N 0 0 394.225 2.787 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCc3c(F)ccc(Br)c3C2)c1[N+](=O)[O-] ZINC000452195347 564398863 /nfs/dbraw/zinc/39/88/63/564398863.db2.gz RAPWVQLETJLJCU-UHFFFAOYSA-N 0 0 383.177 2.726 20 5 GFBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)F ZINC000452245605 564400556 /nfs/dbraw/zinc/40/05/56/564400556.db2.gz MXWXPBRDFCJZTA-SECBINFHSA-N 0 0 384.120 2.973 20 5 GFBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)F ZINC000452245608 564400779 /nfs/dbraw/zinc/40/07/79/564400779.db2.gz MXWXPBRDFCJZTA-VIFPVBQESA-N 0 0 384.120 2.973 20 5 GFBDRN Cc1cc(Br)cc(C)c1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000478418712 564401344 /nfs/dbraw/zinc/40/13/44/564401344.db2.gz RYSWSUXEYWNITA-UHFFFAOYSA-N 0 0 381.230 2.877 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000478890948 564418272 /nfs/dbraw/zinc/41/82/72/564418272.db2.gz VZZYIYQUYXNIEC-ONGXEEELSA-N 0 0 382.360 2.955 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CNc2ccc(CO)cn2)c1 ZINC000568457272 564420360 /nfs/dbraw/zinc/42/03/60/564420360.db2.gz ZYLZJSOQXVAICD-UHFFFAOYSA-N 0 0 385.161 2.699 20 5 GFBDRN Cc1cc(Br)cc2c1CN(C(=O)c1cc([N+](=O)[O-])cnc1N)CC2 ZINC000545419297 564422539 /nfs/dbraw/zinc/42/25/39/564422539.db2.gz LVQCGVPODGEGJZ-UHFFFAOYSA-N 0 0 391.225 2.841 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccncc2Br)c1[N+](=O)[O-] ZINC000479129964 564427085 /nfs/dbraw/zinc/42/70/85/564427085.db2.gz IZUJREQZBDALLF-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=C(c1cc2sccc2s1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000546182042 564448422 /nfs/dbraw/zinc/44/84/22/564448422.db2.gz MCGNFTWFORIORU-UHFFFAOYSA-N 0 0 375.435 2.623 20 5 GFBDRN Cc1nc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000480068835 564459474 /nfs/dbraw/zinc/45/94/74/564459474.db2.gz KHSZEHLGPKLTQD-UHFFFAOYSA-N 0 0 375.859 2.843 20 5 GFBDRN C[C@]1(F)CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000453773702 564471389 /nfs/dbraw/zinc/47/13/89/564471389.db2.gz ARVUZHIUBYCZGS-AWEZNQCLSA-N 0 0 388.193 2.646 20 5 GFBDRN COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547171110 564479515 /nfs/dbraw/zinc/47/95/15/564479515.db2.gz MKZYZGASBDNYDF-UHFFFAOYSA-N 0 0 392.169 2.797 20 5 GFBDRN CSCCCN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000569913306 564484286 /nfs/dbraw/zinc/48/42/86/564484286.db2.gz DAEIZINAKQZSGB-UHFFFAOYSA-N 0 0 390.259 2.507 20 5 GFBDRN CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480849290 564490961 /nfs/dbraw/zinc/49/09/61/564490961.db2.gz FNGKDSBAAFIXCO-GFCCVEGCSA-N 0 0 392.861 2.991 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c(F)cccc2OC(F)F)cc1 ZINC000480953174 564497446 /nfs/dbraw/zinc/49/74/46/564497446.db2.gz QGDLOZUIPHBQBR-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454346578 564507326 /nfs/dbraw/zinc/50/73/26/564507326.db2.gz RHJHSJKYLRNQCY-NSHDSACASA-N 0 0 396.241 2.575 20 5 GFBDRN Cn1ccc(C(=O)COc2ccc(I)cc2[N+](=O)[O-])c1 ZINC000547821565 564512362 /nfs/dbraw/zinc/51/23/62/564512362.db2.gz DWKNSJSDPNLADZ-UHFFFAOYSA-N 0 0 386.145 2.800 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481468859 564513673 /nfs/dbraw/zinc/51/36/73/564513673.db2.gz WULURVUQVCTFAO-ZDUSSCGKSA-N 0 0 391.232 2.914 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000481763058 564522787 /nfs/dbraw/zinc/52/27/87/564522787.db2.gz CJEUFNLUSKNHPL-IUCAKERBSA-N 0 0 389.271 2.647 20 5 GFBDRN C[C@H](Cc1ccsc1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000517439807 564534827 /nfs/dbraw/zinc/53/48/27/564534827.db2.gz FDHLWKDSYLNBIU-SNVBAGLBSA-N 0 0 379.463 2.595 20 5 GFBDRN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518200527 564547872 /nfs/dbraw/zinc/54/78/72/564547872.db2.gz QNGOQLOFYZIVOF-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000455395591 564552690 /nfs/dbraw/zinc/55/26/90/564552690.db2.gz BIIFXTKFECBYBR-WCQYABFASA-N 0 0 397.229 2.632 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000572026643 564578136 /nfs/dbraw/zinc/57/81/36/564578136.db2.gz DAEAEILIRNVWSY-CYBMUJFWSA-N 0 0 390.193 2.503 20 5 GFBDRN COc1cccc(C(F)(F)CNc2c(Br)cncc2[N+](=O)[O-])n1 ZINC000572187897 564584583 /nfs/dbraw/zinc/58/45/83/564584583.db2.gz OJHAWLWRWXKOIF-UHFFFAOYSA-N 0 0 389.156 2.782 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456303795 564599470 /nfs/dbraw/zinc/59/94/70/564599470.db2.gz FNBLTVRRSDFZNJ-ZETOZRRWSA-N 0 0 383.242 2.980 20 5 GFBDRN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000520298921 564600898 /nfs/dbraw/zinc/60/08/98/564600898.db2.gz ARQKTXVSQHCHSF-VIFPVBQESA-N 0 0 395.213 2.731 20 5 GFBDRN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@H]1n1cccn1 ZINC000549684164 564602414 /nfs/dbraw/zinc/60/24/14/564602414.db2.gz JRZUKMAELLIENP-YNEHKIRRSA-N 0 0 382.218 2.779 20 5 GFBDRN Cc1nc(C)n(C2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000549739497 564604244 /nfs/dbraw/zinc/60/42/44/564604244.db2.gz BHSCVBFAHKJJFO-UHFFFAOYSA-N 0 0 381.845 2.632 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000550316126 564619625 /nfs/dbraw/zinc/61/96/25/564619625.db2.gz BSSVKBUAPYOULO-ZDUSSCGKSA-N 0 0 393.237 2.999 20 5 GFBDRN COc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)n1 ZINC000573294286 564631805 /nfs/dbraw/zinc/63/18/05/564631805.db2.gz XHZFZWIPPHMARW-UHFFFAOYSA-N 0 0 396.197 2.700 20 5 GFBDRN CCOC(=O)C[C@@H](C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486130098 564640054 /nfs/dbraw/zinc/64/00/54/564640054.db2.gz QPWGFRCRLZZBHQ-SSDOTTSWSA-N 0 0 379.232 2.833 20 5 GFBDRN CON1CCC(N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000457307418 564656222 /nfs/dbraw/zinc/65/62/22/564656222.db2.gz JNDRVFZQCOIZLN-UHFFFAOYSA-N 0 0 386.246 2.764 20 5 GFBDRN Cc1ccc(Cl)cc1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000522847233 564657688 /nfs/dbraw/zinc/65/76/88/564657688.db2.gz KZOCDSYCWLJBOL-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN CS(=O)(=O)c1ccccc1CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000551657991 564659803 /nfs/dbraw/zinc/65/98/03/564659803.db2.gz DQGHAQHYAWRZCZ-UHFFFAOYSA-N 0 0 382.825 2.511 20 5 GFBDRN C[C@H](CC(F)(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000457458279 564662512 /nfs/dbraw/zinc/66/25/12/564662512.db2.gz XSKMOJZMTIUKIG-SECBINFHSA-N 0 0 379.360 2.529 20 5 GFBDRN CSC[C@](C)(O)CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000486968969 564671384 /nfs/dbraw/zinc/67/13/84/564671384.db2.gz POKWHTOBMDDVKX-CQSZACIVSA-N 0 0 386.271 2.853 20 5 GFBDRN COc1ccc(Nc2nnc(Sc3ncc([N+](=O)[O-])c(N)n3)s2)cc1 ZINC000524121906 564677047 /nfs/dbraw/zinc/67/70/47/564677047.db2.gz PUCRZYLZLVRSHM-UHFFFAOYSA-N 0 0 377.411 2.552 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cnc3ccccc32)c(Cl)c1 ZINC000524156309 564677544 /nfs/dbraw/zinc/67/75/44/564677544.db2.gz FGZUDXSEPDRZCL-UHFFFAOYSA-N 0 0 380.813 2.576 20 5 GFBDRN CC(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160313 564677883 /nfs/dbraw/zinc/67/78/83/564677883.db2.gz XTPPDOVLTAPBPO-NHYWBVRUSA-N 0 0 376.862 2.978 20 5 GFBDRN Cn1c(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] ZINC000524416829 564681938 /nfs/dbraw/zinc/68/19/38/564681938.db2.gz ZFPQYMQZPOYLDP-UHFFFAOYSA-N 0 0 391.185 2.733 20 5 GFBDRN COC(=O)[C@H](C)CSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000524530607 564682978 /nfs/dbraw/zinc/68/29/78/564682978.db2.gz VGFNQCVHXYYMGG-MRVPVSSYSA-N 0 0 391.243 2.838 20 5 GFBDRN CC(C)(C)c1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)[nH]1 ZINC000458021743 564684523 /nfs/dbraw/zinc/68/45/23/564684523.db2.gz LARDJTGWWTYMHB-UHFFFAOYSA-N 0 0 382.218 2.703 20 5 GFBDRN CCN(CC1CC1)S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487366823 564684625 /nfs/dbraw/zinc/68/46/25/564684625.db2.gz XPEAGCSZBVXSDG-UHFFFAOYSA-N 0 0 381.376 2.680 20 5 GFBDRN O=C(CCCCN1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552396608 564690082 /nfs/dbraw/zinc/69/00/82/564690082.db2.gz BBPJLJQKFNBRPY-UHFFFAOYSA-N 0 0 386.246 2.798 20 5 GFBDRN CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000488149098 564705694 /nfs/dbraw/zinc/70/56/94/564705694.db2.gz KSSYDSRWDUZOSF-PUAOIOHZSA-N 0 0 382.873 2.770 20 5 GFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000488237089 564708679 /nfs/dbraw/zinc/70/86/79/564708679.db2.gz RMPIICMCZXGQRQ-IVCQMTBJSA-N 0 0 382.873 2.770 20 5 GFBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000488813852 564720711 /nfs/dbraw/zinc/72/07/11/564720711.db2.gz IOTPWLPWIRKMSU-HZMBPMFUSA-N 0 0 387.230 2.623 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000527279299 564736498 /nfs/dbraw/zinc/73/64/98/564736498.db2.gz FEMKULUUPQHCKS-UHFFFAOYSA-N 0 0 395.188 2.672 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c(C)cc1[N+](=O)[O-] ZINC000577997284 564739020 /nfs/dbraw/zinc/73/90/20/564739020.db2.gz KYDKVFLPYILHRT-CZUORRHYSA-N 0 0 386.495 2.545 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553903157 564744266 /nfs/dbraw/zinc/74/42/66/564744266.db2.gz ZVTMJLITMFGURD-HNNXBMFYSA-N 0 0 384.841 2.959 20 5 GFBDRN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000459911463 564765210 /nfs/dbraw/zinc/76/52/10/564765210.db2.gz GIZCBLVANJPUNU-JTQLQIEISA-N 0 0 380.447 2.819 20 5 GFBDRN COc1cc(-c2nc(Cn3cc(Br)cn3)no2)cc([N+](=O)[O-])c1C ZINC000554815294 564774435 /nfs/dbraw/zinc/77/44/35/564774435.db2.gz SEAYWTMJMPHICH-UHFFFAOYSA-N 0 0 394.185 2.969 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000490558040 564776392 /nfs/dbraw/zinc/77/63/92/564776392.db2.gz RNHBQTGEFLXZSY-XHDPSFHLSA-N 0 0 382.463 2.946 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cccc(Cl)c2Cl)c1=O ZINC000554895599 564776413 /nfs/dbraw/zinc/77/64/13/564776413.db2.gz NYTYIZBWAJBMCW-UHFFFAOYSA-N 0 0 385.159 2.733 20 5 GFBDRN CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491107035 564786338 /nfs/dbraw/zinc/78/63/38/564786338.db2.gz DIYZDZJEKNIHMO-UHFFFAOYSA-N 0 0 397.204 2.962 20 5 GFBDRN COc1ccc(CSCC(=O)N2CC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000555215984 564786453 /nfs/dbraw/zinc/78/64/53/564786453.db2.gz LBLWZIWJADEOBU-NSHDSACASA-N 0 0 376.381 2.677 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000581103390 564787666 /nfs/dbraw/zinc/78/76/66/564787666.db2.gz PIBKEKIDDZCFLH-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN COC(=O)[C@]1(C)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000492104574 564798997 /nfs/dbraw/zinc/79/89/97/564798997.db2.gz LQFQHYFTMVVFNH-ZDUSSCGKSA-N 0 0 397.236 2.618 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000493577879 564808701 /nfs/dbraw/zinc/80/87/01/564808701.db2.gz YCSJCZAIPIOSRP-UHFFFAOYSA-N 0 0 382.360 2.798 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000493897486 564813056 /nfs/dbraw/zinc/81/30/56/564813056.db2.gz ONBGCTGNRANCMK-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN C[C@H]1CCN(C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150553 564824206 /nfs/dbraw/zinc/82/42/06/564824206.db2.gz MMQZSJIVYQTLAE-VIFPVBQESA-N 0 0 382.269 2.616 20 5 GFBDRN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462494438 564843549 /nfs/dbraw/zinc/84/35/49/564843549.db2.gz MAPFEQLGAKUFLR-SNVBAGLBSA-N 0 0 382.269 2.616 20 5 GFBDRN CN(Cc1ccc(S(C)(=O)=O)cc1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557587141 564868950 /nfs/dbraw/zinc/86/89/50/564868950.db2.gz GDRQYBLIENKPKQ-UHFFFAOYSA-N 0 0 378.435 2.639 20 5 GFBDRN C/C=C/C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OCC ZINC000463386128 564879270 /nfs/dbraw/zinc/87/92/70/564879270.db2.gz DCLHFNLDLUENTC-LYKUJDHUSA-N 0 0 399.241 2.914 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000497953485 564881288 /nfs/dbraw/zinc/88/12/88/564881288.db2.gz VKXDWBBOUIVBLD-MWLCHTKSSA-N 0 0 390.767 2.537 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(COc2c(Cl)cncc2[N+](=O)[O-])s1 ZINC000583563784 564897705 /nfs/dbraw/zinc/89/77/05/564897705.db2.gz AUYUHPIFSNMAAT-UHFFFAOYSA-N 0 0 377.831 2.534 20 5 GFBDRN C[C@H](CC(F)(F)F)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000464316518 564903181 /nfs/dbraw/zinc/90/31/81/564903181.db2.gz HAXGBDGCMHMPHQ-RKDXNWHRSA-N 0 0 379.360 2.718 20 5 GFBDRN CCN(C[C@H](C)OC)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000583846195 564910187 /nfs/dbraw/zinc/91/01/87/564910187.db2.gz ZEPJYHIJZHHYQE-VIFPVBQESA-N 0 0 392.193 2.696 20 5 GFBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Oc1ccc(Br)cc1 ZINC000464639720 564913896 /nfs/dbraw/zinc/91/38/96/564913896.db2.gz PHEWGCHBAGELEC-SNVBAGLBSA-N 0 0 382.214 2.893 20 5 GFBDRN CC1(C)SC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000558777198 564914117 /nfs/dbraw/zinc/91/41/17/564914117.db2.gz QLHOZNDYISBEJX-SNVBAGLBSA-N 0 0 381.273 2.530 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000531604978 564914965 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565144333 /nfs/dbraw/zinc/14/43/33/565144333.db2.gz YKFYUCUUQMOMRC-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN C[C@H]1COCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256883 565157638 /nfs/dbraw/zinc/15/76/38/565157638.db2.gz UUEBIBYUEYQNJG-JTQLQIEISA-N 0 0 376.194 2.810 20 5 GFBDRN C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326606 565223819 /nfs/dbraw/zinc/22/38/19/565223819.db2.gz VYFFUTKNPTYHOP-ZJUUUORDSA-N 0 0 382.360 2.707 20 5 GFBDRN CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC=CC1 ZINC000592100294 565255215 /nfs/dbraw/zinc/25/52/15/565255215.db2.gz WCBKLGJKPZYSDX-OAHLLOKOSA-N 0 0 388.873 2.880 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592109300 565256638 /nfs/dbraw/zinc/25/66/38/565256638.db2.gz YTSQOHVQGFLDPV-ATZCPNFKSA-N 0 0 375.244 2.824 20 5 GFBDRN C[C@H]1SCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116513 565257927 /nfs/dbraw/zinc/25/79/27/565257927.db2.gz VOOYJFIRRKJJCE-HQJQHLMTSA-N 0 0 381.273 2.530 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592109462 565258137 /nfs/dbraw/zinc/25/81/37/565258137.db2.gz BGYKFTOXVZAOID-LDYMZIIASA-N 0 0 395.300 2.838 20 5 GFBDRN CCc1[nH]nc(-c2nc(Cc3ncsc3Br)no2)c1[N+](=O)[O-] ZINC000592418560 565275722 /nfs/dbraw/zinc/27/57/22/565275722.db2.gz UWIWOKWGLHEASG-UHFFFAOYSA-N 0 0 385.203 2.740 20 5 GFBDRN O=c1c2cncnc2c(Br)cn1Cc1ccc([N+](=O)[O-])cc1F ZINC000618644877 565308013 /nfs/dbraw/zinc/30/80/13/565308013.db2.gz LQOMBXMCKRGEGU-UHFFFAOYSA-N 0 0 379.145 2.650 20 5 GFBDRN Cc1c(Br)c(N2CCn3c(CC4CC4)nnc3C2)ncc1[N+](=O)[O-] ZINC000593489359 565336996 /nfs/dbraw/zinc/33/69/96/565336996.db2.gz HFDXXYUUMWMCGK-UHFFFAOYSA-N 0 0 393.245 2.625 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000619497831 565344799 /nfs/dbraw/zinc/34/47/99/565344799.db2.gz UUMJMBSCKDKXBX-ZJUUUORDSA-N 0 0 382.360 2.955 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(C2(O)CC2)CC1 ZINC000593621033 565347062 /nfs/dbraw/zinc/34/70/62/565347062.db2.gz IPOQSLOKLDZKQI-UHFFFAOYSA-N 0 0 395.264 2.827 20 5 GFBDRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593622859 565348210 /nfs/dbraw/zinc/34/82/10/565348210.db2.gz YFJWMTSQNRSFRL-NXEZZACHSA-N 0 0 376.456 2.540 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCC(F)(F)C2)c1 ZINC000593625294 565348632 /nfs/dbraw/zinc/34/86/32/565348632.db2.gz WLBLDKCKCKONNV-UHFFFAOYSA-N 0 0 385.186 2.777 20 5 GFBDRN Cc1ccncc1N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000619589470 565350923 /nfs/dbraw/zinc/35/09/23/565350923.db2.gz XCURYKIYWNYKLT-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@@](F)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619802472 565359992 /nfs/dbraw/zinc/35/99/92/565359992.db2.gz FBHCTSQYYSSIJM-ZDUSSCGKSA-N 0 0 376.182 2.604 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000594869474 565432777 /nfs/dbraw/zinc/43/27/77/565432777.db2.gz CFFBHNYPABLMDD-ZWNOBZJWSA-N 0 0 382.360 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O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000737973198 598547582 /nfs/dbraw/zinc/54/75/82/598547582.db2.gz CPUJNISCJZZROV-UHFFFAOYSA-N 0 0 390.306 2.558 20 5 GFBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736300199 598735688 /nfs/dbraw/zinc/73/56/88/598735688.db2.gz VQNVCRZGMKIRKP-LZGFCCKTSA-N 0 0 376.376 2.766 20 5 GFBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736184834 598735799 /nfs/dbraw/zinc/73/57/99/598735799.db2.gz OBGRBAYBFLQYFS-NEPJUHHUSA-N 0 0 394.391 2.520 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737284107 598808708 /nfs/dbraw/zinc/80/87/08/598808708.db2.gz ZJXYLQQXXNEHKT-UHFFFAOYSA-N 0 0 390.363 2.521 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)CCO4)cc(-c3nn[nH]n3)c2c1 ZINC000823643880 599518186 /nfs/dbraw/zinc/51/81/86/599518186.db2.gz DRJXNYABIZUEPF-UHFFFAOYSA-N 0 0 389.375 2.870 20 5 GFBDRN COC(=O)Nc1ccc(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000736940517 599527039 /nfs/dbraw/zinc/52/70/39/599527039.db2.gz RFRFYWBHZJBZCD-UHFFFAOYSA-N 0 0 383.368 2.608 20 5 GFBDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823036946 599695334 /nfs/dbraw/zinc/69/53/34/599695334.db2.gz NJRKNEGTTATLDO-UHFFFAOYSA-N 0 0 389.755 2.551 20 5 GFBDRN CC(C)Oc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000820170136 607398805 /nfs/dbraw/zinc/39/88/05/607398805.db2.gz RUSANEVEENMHEN-UHFFFAOYSA-N 0 0 386.343 2.954 20 5 GFBDRN COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(=O)[O-])cc1 ZINC000737972896 599861868 /nfs/dbraw/zinc/86/18/68/599861868.db2.gz OWHXPWQXFAAHED-GOSISDBHSA-N 0 0 387.392 2.656 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826421150 607419442 /nfs/dbraw/zinc/41/94/42/607419442.db2.gz UMZVBGMYRCMTEY-UHFFFAOYSA-N 0 0 396.432 2.673 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826428004 607423219 /nfs/dbraw/zinc/42/32/19/607423219.db2.gz LDVFPWUKAWQBST-UHFFFAOYSA-N 0 0 390.359 2.940 20 5 GFBDRN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828457626 601289456 /nfs/dbraw/zinc/28/94/56/601289456.db2.gz VKYUJTAELKOFHI-LIRRHRJNSA-N 0 0 397.431 2.933 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740151332 601932134 /nfs/dbraw/zinc/93/21/34/601932134.db2.gz ABXIYVSAMCWSKE-UHFFFAOYSA-N 0 0 390.440 2.839 20 5 GFBDRN O=C([O-])N(CC1CC1)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000831433792 604236021 /nfs/dbraw/zinc/23/60/21/604236021.db2.gz VBRIRBPNJCDJKI-UHFFFAOYSA-N 0 0 390.440 2.778 20 5 GFBDRN O=C([O-])C[NH+]1CCN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000833249962 605013720 /nfs/dbraw/zinc/01/37/20/605013720.db2.gz YDGYVONEFYZQOC-UHFFFAOYSA-N 0 0 391.815 2.593 20 5 GFBDRN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833230 605900697 /nfs/dbraw/zinc/90/06/97/605900697.db2.gz XBKRHAOTPGAWKT-GRYCIOLGSA-N 0 0 375.385 2.684 20 5 GFBDRN Cn1c(CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nc2ccccc21 ZINC000822596508 606063219 /nfs/dbraw/zinc/06/32/19/606063219.db2.gz NDSAAKFWMFCJEE-UHFFFAOYSA-N 0 0 378.396 2.706 20 5 GFBDRN Cc1c([N+](=O)[O-])cc(C(=O)O[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822129113 606355429 /nfs/dbraw/zinc/35/54/29/606355429.db2.gz HUFQBPVBVDTJPA-JTQLQIEISA-N 0 0 398.335 2.910 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822229253 606440865 /nfs/dbraw/zinc/44/08/65/606440865.db2.gz QCHOCTGJQDWLSU-GFCCVEGCSA-N 0 0 381.396 2.644 20 5 GFBDRN CC(C)(NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819988328 606579030 /nfs/dbraw/zinc/57/90/30/606579030.db2.gz YFCVACNGDKAGJC-UHFFFAOYSA-N 0 0 385.359 2.971 20 5 GFBDRN CC(C)[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026670 606720708 /nfs/dbraw/zinc/72/07/08/606720708.db2.gz LJHGBNDLUDWLKM-HNNXBMFYSA-N 0 0 379.384 2.627 20 5 GFBDRN CCNc1ccc(-c2nn[nH]n2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000821304479 607102161 /nfs/dbraw/zinc/10/21/61/607102161.db2.gz HBFOXPXDKSUYOA-UHFFFAOYSA-N 0 0 399.436 2.938 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822271452 607122728 /nfs/dbraw/zinc/12/27/28/607122728.db2.gz ZYMJEWXUCDAPNE-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN CC(C)[C@H](O)C(C)(C)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824199706 607819789 /nfs/dbraw/zinc/81/97/89/607819789.db2.gz LWNOKKVDBGMJJQ-INIZCTEOSA-N 0 0 385.428 2.778 20 5 GFBDRN C[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824385169 608161219 /nfs/dbraw/zinc/16/12/19/608161219.db2.gz NKFLIAIMEKYQGL-VIFPVBQESA-N 0 0 387.787 2.956 20 5 GFBDRN CCO[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576454 608161262 /nfs/dbraw/zinc/16/12/62/608161262.db2.gz HMLWYRHTBIPRMM-LBPRGKRZSA-N 0 0 382.808 2.818 20 5 GFBDRN CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000825796370 608174420 /nfs/dbraw/zinc/17/44/20/608174420.db2.gz DPWIYSASUJTDBO-UHFFFAOYSA-N 0 0 392.379 2.705 20 5 GFBDRN COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826177313 608185210 /nfs/dbraw/zinc/18/52/10/608185210.db2.gz CLQNBEHIXNXZQN-JTQLQIEISA-N 0 0 399.363 2.710 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826497343 608234300 /nfs/dbraw/zinc/23/43/00/608234300.db2.gz DJJSJAXABFWOPL-OAHLLOKOSA-N 0 0 392.354 2.906 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1F)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826465780 608447117 /nfs/dbraw/zinc/44/71/17/608447117.db2.gz BTOZZWLRRLGKCY-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625414 608489735 /nfs/dbraw/zinc/48/97/35/608489735.db2.gz HLGSOCVEWZDKPM-NSHDSACASA-N 0 0 392.379 2.676 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826263879 608784359 /nfs/dbraw/zinc/78/43/59/608784359.db2.gz UHWJPZXCCSGTSD-UHFFFAOYSA-N 0 0 395.375 2.740 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826272442 609163565 /nfs/dbraw/zinc/16/35/65/609163565.db2.gz JUPPGMLVVUMLGA-UHFFFAOYSA-N 0 0 383.364 2.628 20 5 GFBDRN Cc1cc(COC(=O)CSc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267840 609284419 /nfs/dbraw/zinc/28/44/19/609284419.db2.gz ZDOHCZUCRLNMLU-UHFFFAOYSA-N 0 0 385.405 2.919 20 5 GFBDRN COc1ccc(COC(=O)CCn2cc([N+](=O)[O-])cn2)c(Br)c1 ZINC000817179524 660184955 /nfs/dbraw/zinc/18/49/55/660184955.db2.gz OCYMMHUOKPJEMU-UHFFFAOYSA-N 0 0 384.186 2.696 20 5 GFBDRN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1OC(F)F ZINC000491033606 650782370 /nfs/dbraw/zinc/78/23/70/650782370.db2.gz HUMPNRALWVYXAP-UHFFFAOYSA-N 0 0 391.128 2.945 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC1)OCCCO2 ZINC000818379725 660224372 /nfs/dbraw/zinc/22/43/72/660224372.db2.gz HTMQUBUHVZYYOO-UHFFFAOYSA-N 0 0 399.241 2.655 20 5 GFBDRN C[C@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccsc2S1(=O)=O ZINC000819322770 660254942 /nfs/dbraw/zinc/25/49/42/660254942.db2.gz IYJFVSRBWFYGMN-NZVBXONLSA-N 0 0 382.463 2.587 20 5 GFBDRN O=C(/C=C\[C@H]1CCCO1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000819528018 660261681 /nfs/dbraw/zinc/26/16/81/660261681.db2.gz CVRIGJBAGODKPM-ZTYXWKCZSA-N 0 0 381.226 2.977 20 5 GFBDRN Nc1ccc(NC(=O)Cc2cccc(I)c2)cc1[N+](=O)[O-] ZINC000819888568 660272240 /nfs/dbraw/zinc/27/22/40/660272240.db2.gz YEAIVDRBIHPNRC-UHFFFAOYSA-N 0 0 397.172 2.963 20 5 GFBDRN CC(C)(C)N1CC[C@H](OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000820096980 660281121 /nfs/dbraw/zinc/28/11/21/660281121.db2.gz INYZZXCEOBOCSL-LBPRGKRZSA-N 0 0 385.214 2.914 20 5 GFBDRN Cc1cccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)s2)c1[N+](=O)[O-] ZINC000820099265 660281138 /nfs/dbraw/zinc/28/11/38/660281138.db2.gz YGLLWGPAFRHPHC-UHFFFAOYSA-N 0 0 384.435 2.572 20 5 GFBDRN CCOCCO[C@@H](C)C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820293010 660287674 /nfs/dbraw/zinc/28/76/74/660287674.db2.gz NHOIQRDQMQXGQG-JTQLQIEISA-N 0 0 376.203 2.842 20 5 GFBDRN CC(C)(C)CC(=O)NCC(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820291218 660287748 /nfs/dbraw/zinc/28/77/48/660287748.db2.gz AQZDEAHURPKCPM-UHFFFAOYSA-N 0 0 387.230 2.953 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000822138929 660340857 /nfs/dbraw/zinc/34/08/57/660340857.db2.gz MUSIMHVQYQNDTL-SNVBAGLBSA-N 0 0 395.217 2.503 20 5 GFBDRN CCc1c[nH]c(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000822788185 660354382 /nfs/dbraw/zinc/35/43/82/660354382.db2.gz CNVBOTVWLNPHBG-UHFFFAOYSA-N 0 0 393.241 2.770 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000824009960 660383962 /nfs/dbraw/zinc/38/39/62/660383962.db2.gz SOYFTPXVYPOVED-SECBINFHSA-N 0 0 384.230 2.723 20 5 GFBDRN O=C(NCCSCCC(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825779841 660441977 /nfs/dbraw/zinc/44/19/77/660441977.db2.gz KEHHMZPRJHVLRP-UHFFFAOYSA-N 0 0 380.344 2.781 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000826783530 660464532 /nfs/dbraw/zinc/46/45/32/660464532.db2.gz DFQQZOVGHHDEQI-RNFRBKRXSA-N 0 0 376.163 2.863 20 5 GFBDRN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1n1ccnc1 ZINC000826902788 660471331 /nfs/dbraw/zinc/47/13/31/660471331.db2.gz LQYKGWFIMAARHS-ZWNOBZJWSA-N 0 0 394.229 2.672 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)CCC[C@@H]1CCOC1 ZINC000827365395 660491548 /nfs/dbraw/zinc/49/15/48/660491548.db2.gz QZOXIIJZDABOFI-SNVBAGLBSA-N 0 0 394.243 2.883 20 5 GFBDRN CN1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827395804 660493462 /nfs/dbraw/zinc/49/34/62/660493462.db2.gz OBOOZOOZUWKDGG-CQSZACIVSA-N 0 0 391.225 2.669 20 5 GFBDRN C[C@H](CCO)C1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1 ZINC000827853702 660519701 /nfs/dbraw/zinc/51/97/01/660519701.db2.gz UWQSJWITPRNNEI-SNVBAGLBSA-N 0 0 386.246 2.671 20 5 GFBDRN C[C@@H](CCO)C1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1 ZINC000827853701 660519719 /nfs/dbraw/zinc/51/97/19/660519719.db2.gz UWQSJWITPRNNEI-JTQLQIEISA-N 0 0 386.246 2.671 20 5 GFBDRN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000827944311 660524209 /nfs/dbraw/zinc/52/42/09/660524209.db2.gz CPAFHLACOCBBJF-HZMBPMFUSA-N 0 0 394.225 2.647 20 5 GFBDRN CC(C)(C)c1nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)cs1 ZINC000830082410 660633189 /nfs/dbraw/zinc/63/31/89/660633189.db2.gz CIPRMDOUDQHFEC-UHFFFAOYSA-N 0 0 381.435 2.694 20 5 GFBDRN CCOC(=O)CN(C(C)C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830142890 660638212 /nfs/dbraw/zinc/63/82/12/660638212.db2.gz AXSKNXKPROMYIB-UHFFFAOYSA-N 0 0 399.252 2.864 20 5 GFBDRN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831884133 660733525 /nfs/dbraw/zinc/73/35/25/660733525.db2.gz LAMXPRDNDCCLFY-SCZZXKLOSA-N 0 0 383.253 2.683 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)c1 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Cc1c(Br)c(=O)n(Cc2noc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000541286510 564272180 /nfs/dbraw/zinc/27/21/80/564272180.db2.gz OHALNPJDFFOQIW-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474297817 564273529 /nfs/dbraw/zinc/27/35/29/564273529.db2.gz FKWBRVOPWHAIBT-LBPRGKRZSA-N 0 0 384.797 2.669 20 5 GFBDRN CC(C)N(C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000474325603 564275036 /nfs/dbraw/zinc/27/50/36/564275036.db2.gz GGWUMLAECCHNBR-UHFFFAOYSA-N 0 0 394.225 2.961 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cn2cc(Cl)ccc2n1 ZINC000474349107 564275307 /nfs/dbraw/zinc/27/53/07/564275307.db2.gz JRFVBXSJKGGPOI-UHFFFAOYSA-N 0 0 383.589 2.868 20 5 GFBDRN COC(=O)[C@H](CC(F)F)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541455426 564279479 /nfs/dbraw/zinc/27/94/79/564279479.db2.gz GOIIALQHGQEZOB-QMMMGPOBSA-N 0 0 382.772 2.653 20 5 GFBDRN Cc1c(Br)c(NCCc2cnc(C3CC3)nc2)ncc1[N+](=O)[O-] ZINC000541575818 564284150 /nfs/dbraw/zinc/28/41/50/564284150.db2.gz DQPXEZSKEHYNPY-UHFFFAOYSA-N 0 0 378.230 2.805 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000541924907 564294370 /nfs/dbraw/zinc/29/43/70/564294370.db2.gz QWHAAKALWRVXFT-WCQYABFASA-N 0 0 377.198 2.852 20 5 GFBDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541906589 564294508 /nfs/dbraw/zinc/29/45/08/564294508.db2.gz OTEBUWKIVZSCGS-UHFFFAOYSA-N 0 0 395.213 2.847 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(F)cccc1SC ZINC000509616877 564306216 /nfs/dbraw/zinc/30/62/16/564306216.db2.gz JQSMLMJRFOPTNQ-UHFFFAOYSA-N 0 0 386.426 2.943 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000509929224 564318135 /nfs/dbraw/zinc/31/81/35/564318135.db2.gz MLBQWKWSLOCCTD-SNVBAGLBSA-N 0 0 379.214 2.700 20 5 GFBDRN COc1c(S(=O)(=O)N2C[C@@H](C)[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451616888 564332344 /nfs/dbraw/zinc/33/23/44/564332344.db2.gz WSWZMQOFSFNGIT-APPZFPTMSA-N 0 0 393.259 2.703 20 5 GFBDRN O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543025880 564335223 /nfs/dbraw/zinc/33/52/23/564335223.db2.gz AFUWSPFEKUHCLE-ZDUSSCGKSA-N 0 0 390.193 2.503 20 5 GFBDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476357824 564336841 /nfs/dbraw/zinc/33/68/41/564336841.db2.gz MYWNPUNVZUWMCZ-JTQLQIEISA-N 0 0 381.230 2.842 20 5 GFBDRN CCC[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000510532270 564337629 /nfs/dbraw/zinc/33/76/29/564337629.db2.gz FTANNGXNENUMNQ-ZDUSSCGKSA-N 0 0 382.360 2.851 20 5 GFBDRN CC[C@H](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683548 564339327 /nfs/dbraw/zinc/33/93/27/564339327.db2.gz UXJLLBMFUSLTDT-JOYOIKCWSA-N 0 0 384.376 2.953 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000543147485 564340092 /nfs/dbraw/zinc/34/00/92/564340092.db2.gz TUMHJRDXQYXJQX-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN COC(=O)CCc1csc(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000543156053 564340267 /nfs/dbraw/zinc/34/02/67/564340267.db2.gz VBXWROIBRPICOE-UHFFFAOYSA-N 0 0 381.435 2.888 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCSCC1 ZINC000543279112 564344918 /nfs/dbraw/zinc/34/49/18/564344918.db2.gz URWCDQYRISSTPE-UHFFFAOYSA-N 0 0 375.903 2.505 20 5 GFBDRN CCNC(=O)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000543438886 564350313 /nfs/dbraw/zinc/35/03/13/564350313.db2.gz WQISFECPYYZKEB-UHFFFAOYSA-N 0 0 393.241 2.844 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cnc(OC)c(Cl)c1 ZINC000451786220 564351302 /nfs/dbraw/zinc/35/13/02/564351302.db2.gz HESAAANYHZOHIL-UHFFFAOYSA-N 0 0 385.829 2.693 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451854800 564359433 /nfs/dbraw/zinc/35/94/33/564359433.db2.gz NRPZLZUXYVARLS-BBRMVZONSA-N 0 0 388.873 2.632 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451854802 564359737 /nfs/dbraw/zinc/35/97/37/564359737.db2.gz NRPZLZUXYVARLS-CZUORRHYSA-N 0 0 388.873 2.632 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905024 564364407 /nfs/dbraw/zinc/36/44/07/564364407.db2.gz SPGANALDSHVASX-TZMCWYRMSA-N 0 0 383.451 2.558 20 5 GFBDRN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccc(Br)cc21 ZINC000511632230 564378486 /nfs/dbraw/zinc/37/84/86/564378486.db2.gz XOQVOQZMEHARCN-ZDUSSCGKSA-N 0 0 395.257 2.713 20 5 GFBDRN Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC000544346369 564382787 /nfs/dbraw/zinc/38/27/87/564382787.db2.gz VBDZGVOUQPDFLI-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN Cc1c(Br)c(N2CCOCC3(CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000544446577 564386892 /nfs/dbraw/zinc/38/68/92/564386892.db2.gz NIXASVZIXLDMEJ-UHFFFAOYSA-N 0 0 386.246 2.694 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000567781541 564388138 /nfs/dbraw/zinc/38/81/38/564388138.db2.gz IGDNHGSJOGRMKH-QWJLCTJOSA-N 0 0 388.511 2.515 20 5 GFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000477965320 564391407 /nfs/dbraw/zinc/39/14/07/564391407.db2.gz MDZJWCJGPSBTQL-BREBYQMCSA-N 0 0 384.230 2.839 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544672666 564393425 /nfs/dbraw/zinc/39/34/25/564393425.db2.gz MPFFEDGPEVAXHP-QWHCGFSZSA-N 0 0 386.426 2.994 20 5 GFBDRN O=[N+]([O-])c1ccc(Sc2nnnn2C[C@@H]2CCCO2)c(Br)c1 ZINC000478351852 564400098 /nfs/dbraw/zinc/40/00/98/564400098.db2.gz GJDXRDQIUCATKA-VIFPVBQESA-N 0 0 386.231 2.674 20 5 GFBDRN CCC(CC)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000512450532 564402828 /nfs/dbraw/zinc/40/28/28/564402828.db2.gz AVHYTZQRZKUOKN-UHFFFAOYSA-N 0 0 379.232 2.880 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(Br)cc2)no1 ZINC000544933650 564404667 /nfs/dbraw/zinc/40/46/67/564404667.db2.gz ZNKQKRSSUDNDCD-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN CC(C)COC[C@H](O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478670831 564411573 /nfs/dbraw/zinc/41/15/73/564411573.db2.gz CAKQAAADPLDITQ-NSHDSACASA-N 0 0 395.193 2.612 20 5 GFBDRN CCOC(=O)C[C@@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000478775599 564414368 /nfs/dbraw/zinc/41/43/68/564414368.db2.gz VLTQZLRYODJUMX-OAHLLOKOSA-N 0 0 392.861 2.894 20 5 GFBDRN CC[C@H](C)N(CC(=O)OC)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000545253785 564415154 /nfs/dbraw/zinc/41/51/54/564415154.db2.gz BCDSUIGDRFVXKU-JTQLQIEISA-N 0 0 387.230 2.700 20 5 GFBDRN O=C(COc1ccc(I)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000479183590 564430213 /nfs/dbraw/zinc/43/02/13/564430213.db2.gz HEJQKCGHNWOHNW-SECBINFHSA-N 0 0 391.161 2.574 20 5 GFBDRN CCS(=O)(=O)Cc1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000546511533 564456881 /nfs/dbraw/zinc/45/68/81/564456881.db2.gz FLBAWEWUERNETR-UHFFFAOYSA-N 0 0 380.407 2.703 20 5 GFBDRN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(=O)[nH]1 ZINC000480195542 564463166 /nfs/dbraw/zinc/46/31/66/564463166.db2.gz CALZQULIGWTMFA-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN CN(C)C(=O)CSCc1cc(I)cc([N+](=O)[O-])c1 ZINC000515036148 564466890 /nfs/dbraw/zinc/46/68/90/564466890.db2.gz NTLSMOWLBYIHCI-UHFFFAOYSA-N 0 0 380.207 2.521 20 5 GFBDRN O=c1c(F)cc(Br)cn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569582060 564469489 /nfs/dbraw/zinc/46/94/89/564469489.db2.gz WHBHYRJFFAXZNF-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(c3nc4ccccc4s3)C2)c1 ZINC000546878664 564472191 /nfs/dbraw/zinc/47/21/91/564472191.db2.gz YOKCDROVHUGNIG-UHFFFAOYSA-N 0 0 375.431 2.993 20 5 GFBDRN O=c1ccn(Cc2nc(Cc3ccc(Br)cc3)no2)cc1[N+](=O)[O-] ZINC000546967205 564475389 /nfs/dbraw/zinc/47/53/89/564475389.db2.gz RVJDQGNNQTUKNB-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN NS(=O)(=O)c1c(NCc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000515578243 564482851 /nfs/dbraw/zinc/48/28/51/564482851.db2.gz QNBSUOVVHHHRLT-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN O=[N+]([O-])c1ccc(CCCCNc2ncc(I)cn2)cc1 ZINC000547329214 564484349 /nfs/dbraw/zinc/48/43/49/564484349.db2.gz ADLYBACZNPADBG-UHFFFAOYSA-N 0 0 398.204 2.846 20 5 GFBDRN Cc1sc(NC(=O)[C@@H]2CCCS2(=O)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000570055026 564489506 /nfs/dbraw/zinc/48/95/06/564489506.db2.gz IKCULFDPZWHRBT-LBPRGKRZSA-N 0 0 381.435 2.542 20 5 GFBDRN CNc1nccc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c1[N+](=O)[O-] ZINC000516191425 564495903 /nfs/dbraw/zinc/49/59/03/564495903.db2.gz FGQKYKMRESPZOK-UHFFFAOYSA-N 0 0 381.219 2.959 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c1C ZINC000480939605 564496420 /nfs/dbraw/zinc/49/64/20/564496420.db2.gz SSIHGKWGQZXFCH-HNNXBMFYSA-N 0 0 383.495 2.854 20 5 GFBDRN C[C@]1(C(N)=O)CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000481051139 564501839 /nfs/dbraw/zinc/50/18/39/564501839.db2.gz BDMYTRVGVBTQEI-HNNXBMFYSA-N 0 0 379.214 2.607 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000481075796 564502277 /nfs/dbraw/zinc/50/22/77/564502277.db2.gz BSWBFLOBJZNZQL-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CC(C)Oc1nc(N[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000516492384 564503587 /nfs/dbraw/zinc/50/35/87/564503587.db2.gz XLCNDKGXECFWJM-SECBINFHSA-N 0 0 382.218 2.925 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCSC)C(=O)NC ZINC000517200796 564527498 /nfs/dbraw/zinc/52/74/98/564527498.db2.gz AVFGJZAVEUDKDL-ZDUSSCGKSA-N 0 0 385.511 2.694 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)N(C)C ZINC000481981090 564530761 /nfs/dbraw/zinc/53/07/61/564530761.db2.gz NQVDZKQAOYYLMR-OAHLLOKOSA-N 0 0 383.495 2.854 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)s1 ZINC000517549879 564536539 /nfs/dbraw/zinc/53/65/39/564536539.db2.gz YKOQFBYURVETJR-UHFFFAOYSA-N 0 0 383.495 2.977 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Oc1ccccc1Br ZINC000482803227 564550744 /nfs/dbraw/zinc/55/07/44/564550744.db2.gz NFJADPHGRRSGMZ-JTQLQIEISA-N 0 0 382.214 2.893 20 5 GFBDRN CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000455400779 564552617 /nfs/dbraw/zinc/55/26/17/564552617.db2.gz LFORUDRUVQLCLG-VHSXEESVSA-N 0 0 382.161 2.883 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000548448165 564553009 /nfs/dbraw/zinc/55/30/09/564553009.db2.gz UGAIIYWGASQYES-UHFFFAOYSA-N 0 0 379.419 2.562 20 5 GFBDRN CNc1nc(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456033106 564584492 /nfs/dbraw/zinc/58/44/92/564584492.db2.gz OUAUOAOSPGIBRV-SECBINFHSA-N 0 0 375.332 2.830 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3sccc32)c([N+](=O)[O-])c1 ZINC000456069908 564586706 /nfs/dbraw/zinc/58/67/06/564586706.db2.gz QCGCDPDCNCXGSU-ZDUSSCGKSA-N 0 0 380.447 2.867 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456303793 564599870 /nfs/dbraw/zinc/59/98/70/564599870.db2.gz FNBLTVRRSDFZNJ-JRPNMDOOSA-N 0 0 383.242 2.980 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000456412148 564606459 /nfs/dbraw/zinc/60/64/59/564606459.db2.gz ZHVZMOZJDNEDKP-NDHGSNPTSA-N 0 0 388.873 2.775 20 5 GFBDRN CCOc1cc(Br)c(F)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000485193609 564608880 /nfs/dbraw/zinc/60/88/80/564608880.db2.gz QWHIZJVKACOWMP-UHFFFAOYSA-N 0 0 387.165 2.881 20 5 GFBDRN Cc1c(NS(=O)(=O)N2CC[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000485396245 564613453 /nfs/dbraw/zinc/61/34/53/564613453.db2.gz KJIGMABTJIIDIO-QMMMGPOBSA-N 0 0 378.248 2.664 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(c1ccc(Br)cn1)C(C)C ZINC000520965322 564616297 /nfs/dbraw/zinc/61/62/97/564616297.db2.gz NGTFUFIRZHGFNR-UHFFFAOYSA-N 0 0 382.218 2.699 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456678381 564624497 /nfs/dbraw/zinc/62/44/97/564624497.db2.gz WOQCFIYCLLJQHV-KWBADKCTSA-N 0 0 378.372 2.847 20 5 GFBDRN CSc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1[N+](=O)[O-] ZINC000486241311 564645035 /nfs/dbraw/zinc/64/50/35/564645035.db2.gz KDWJDRUOOIONDX-GFCCVEGCSA-N 0 0 383.495 2.604 20 5 GFBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]2COC[C@@H]21 ZINC000457082438 564646065 /nfs/dbraw/zinc/64/60/65/564646065.db2.gz IUVIPFZEEWZYSJ-GXTWGEPZSA-N 0 0 383.242 2.783 20 5 GFBDRN C[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551426701 564649599 /nfs/dbraw/zinc/64/95/99/564649599.db2.gz BVLBILGOEZQFSI-ZJUUUORDSA-N 0 0 384.230 2.848 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000551443801 564650157 /nfs/dbraw/zinc/65/01/57/564650157.db2.gz VWEPLGLWXNHSRE-AOOOYVTPSA-N 0 0 382.214 2.554 20 5 GFBDRN CCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000573844584 564656389 /nfs/dbraw/zinc/65/63/89/564656389.db2.gz DGPPNAPQQIFIIT-UHFFFAOYSA-N 0 0 382.360 2.547 20 5 GFBDRN CN(Cc1ccoc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551718380 564661745 /nfs/dbraw/zinc/66/17/45/564661745.db2.gz ZOZJUHUVGAPVKR-UHFFFAOYSA-N 0 0 382.170 2.547 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CC12CCCC2 ZINC000551757845 564662669 /nfs/dbraw/zinc/66/26/69/564662669.db2.gz HTKJCDUYWZPHOU-LBPRGKRZSA-N 0 0 382.214 2.745 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CCNc1c([N+](=O)[O-])ncn1C ZINC000523162646 564663050 /nfs/dbraw/zinc/66/30/50/564663050.db2.gz LTJIMUYPSWFWID-UHFFFAOYSA-N 0 0 382.218 2.840 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000552015015 564673662 /nfs/dbraw/zinc/67/36/62/564673662.db2.gz YDCCCMWHNFIGJB-UHFFFAOYSA-N 0 0 396.197 2.575 20 5 GFBDRN O=C(NCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000552372866 564688221 /nfs/dbraw/zinc/68/82/21/564688221.db2.gz WIAKOOXRPUFWDP-UHFFFAOYSA-N 0 0 390.197 2.532 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552395056 564689921 /nfs/dbraw/zinc/68/99/21/564689921.db2.gz UQYWUASAUBNTRN-OQPBUACISA-N 0 0 383.202 2.586 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000552545378 564694944 /nfs/dbraw/zinc/69/49/44/564694944.db2.gz QHQJUUXCZZIPFV-LBPRGKRZSA-N 0 0 394.229 2.797 20 5 GFBDRN O=C(N[C@@H](CO)c1ccc(F)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000552676693 564697726 /nfs/dbraw/zinc/69/77/26/564697726.db2.gz WTIQYCVQCALAOC-AWEZNQCLSA-N 0 0 383.173 2.960 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000576181568 564706699 /nfs/dbraw/zinc/70/66/99/564706699.db2.gz VRAWSFOZQGHCHP-INIZCTEOSA-N 0 0 384.841 2.791 20 5 GFBDRN C[C@@H]1CSC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000553089543 564709699 /nfs/dbraw/zinc/70/96/99/564709699.db2.gz NCMPAAZUGITJNC-RDDDGLTNSA-N 0 0 392.218 2.681 20 5 GFBDRN COC(=O)c1cc(N(C)CCn2cc(Br)cn2)cc(C)c1[N+](=O)[O-] ZINC000577242339 564730526 /nfs/dbraw/zinc/73/05/26/564730526.db2.gz BRECAUZONJYPJX-UHFFFAOYSA-N 0 0 397.229 2.785 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCn1cc(Br)cn1 ZINC000553728177 564733208 /nfs/dbraw/zinc/73/32/08/564733208.db2.gz RVAOQPQKRNRDBN-UHFFFAOYSA-N 0 0 383.202 2.761 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](CO)c1ccccc1Cl ZINC000553902684 564744349 /nfs/dbraw/zinc/74/43/49/564744349.db2.gz VZCYVXWTNSBWML-LBPRGKRZSA-N 0 0 384.841 2.611 20 5 GFBDRN CCNc1ccc(C(=O)N(C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000580624430 564766552 /nfs/dbraw/zinc/76/65/52/564766552.db2.gz QKWJGNMMJOXRTI-UHFFFAOYSA-N 0 0 396.245 2.758 20 5 GFBDRN COC(=O)CN(Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000580678129 564768816 /nfs/dbraw/zinc/76/88/16/564768816.db2.gz HORGJXUIYFQMDV-UHFFFAOYSA-N 0 0 392.193 2.583 20 5 GFBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000490427734 564770756 /nfs/dbraw/zinc/77/07/56/564770756.db2.gz PLEXBOJDRYCTSW-LLVKDONJSA-N 0 0 385.442 2.695 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000490506240 564774096 /nfs/dbraw/zinc/77/40/96/564774096.db2.gz WDZNDDWGOAMRHV-ZBEGNZNMSA-N 0 0 382.463 2.946 20 5 GFBDRN Cc1cc(NC[C@H]2CCCN2S(C)(=O)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555169179 564785500 /nfs/dbraw/zinc/78/55/00/564785500.db2.gz DUKNGHGOPRLGEM-SNVBAGLBSA-N 0 0 381.376 2.758 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000581092052 564787584 /nfs/dbraw/zinc/78/75/84/564787584.db2.gz NSKKBCMPKYRAMD-CYBMUJFWSA-N 0 0 394.225 2.567 20 5 GFBDRN CCN1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000491935487 564796475 /nfs/dbraw/zinc/79/64/75/564796475.db2.gz PPIHGSVAOCXJNP-UHFFFAOYSA-N 0 0 398.257 2.749 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC2(C1)CCCC2 ZINC000492023696 564797729 /nfs/dbraw/zinc/79/77/29/564797729.db2.gz MWBQAPNBMDGLEO-UHFFFAOYSA-N 0 0 375.244 2.922 20 5 GFBDRN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000581576013 564808932 /nfs/dbraw/zinc/80/89/32/564808932.db2.gz NMPJQGWFUNJUSW-LLVKDONJSA-N 0 0 381.479 2.665 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)S1 ZINC000556049112 564811320 /nfs/dbraw/zinc/81/13/20/564811320.db2.gz JVPBNEWEVHCKJE-IUCAKERBSA-N 0 0 395.300 2.872 20 5 GFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH]n(C)cc1Br ZINC000581668168 564813872 /nfs/dbraw/zinc/81/38/72/564813872.db2.gz BYJYXKMDJDBHRO-NSHDSACASA-N 0 0 381.230 2.720 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC2(C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000581703240 564814936 /nfs/dbraw/zinc/81/49/36/564814936.db2.gz GFMLJJCOQLKUOF-UHFFFAOYSA-N 0 0 382.214 2.663 20 5 GFBDRN O=C(NC1(CF)CCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000581826877 564818669 /nfs/dbraw/zinc/81/86/69/564818669.db2.gz SYGZZYLJWWBBNM-UHFFFAOYSA-N 0 0 378.141 2.821 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000556339803 564819766 /nfs/dbraw/zinc/81/97/66/564819766.db2.gz AHLFYOSRAPQKIP-UHFFFAOYSA-N 0 0 378.250 2.796 20 5 GFBDRN COc1ccc(CSCC(=O)NCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000556554163 564830335 /nfs/dbraw/zinc/83/03/35/564830335.db2.gz BFLZJUIRIDWHJU-UHFFFAOYSA-N 0 0 380.447 2.897 20 5 GFBDRN CN(C[C@@H]1CCCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462278909 564830925 /nfs/dbraw/zinc/83/09/25/564830925.db2.gz NQFLRUILUQOZQR-VIFPVBQESA-N 0 0 383.253 2.949 20 5 GFBDRN CCN(Cc1ccccc1Br)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000582188998 564835456 /nfs/dbraw/zinc/83/54/56/564835456.db2.gz CNYKCEWBLNSBTE-UHFFFAOYSA-N 0 0 393.241 2.878 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1c(O)cc(Br)cc1Cl ZINC000556847440 564843629 /nfs/dbraw/zinc/84/36/29/564843629.db2.gz NRMYAFFBTGVJKV-UHFFFAOYSA-N 0 0 389.593 2.942 20 5 GFBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cn2ccc(Br)cc2n1 ZINC000556952875 564847872 /nfs/dbraw/zinc/84/78/72/564847872.db2.gz CGWXKNYDMVANOP-UHFFFAOYSA-N 0 0 389.209 2.978 20 5 GFBDRN COCCCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000557057800 564852356 /nfs/dbraw/zinc/85/23/56/564852356.db2.gz OCICQXMLPUMFAF-UHFFFAOYSA-N 0 0 395.213 2.831 20 5 GFBDRN CS(=O)(=O)N1CCC(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000582682649 564857568 /nfs/dbraw/zinc/85/75/68/564857568.db2.gz GOJSAPFNJIILIK-UHFFFAOYSA-N 0 0 382.269 2.985 20 5 GFBDRN C[S@](=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000497887381 564879223 /nfs/dbraw/zinc/87/92/23/564879223.db2.gz XGZMNKKBYZEAFI-VWLOTQADSA-N 0 0 380.447 2.669 20 5 GFBDRN O=c1c(F)cc(Br)cn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583410065 564889839 /nfs/dbraw/zinc/88/98/39/564889839.db2.gz RNDANDSNVPQHST-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN CCOCC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583656443 564901478 /nfs/dbraw/zinc/90/14/78/564901478.db2.gz UVJKEWVILLWGDZ-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc3nsnc32)cc1[N+](=O)[O-] ZINC000531205490 564903923 /nfs/dbraw/zinc/90/39/23/564903923.db2.gz PXCDEULONNOYBP-JTQLQIEISA-N 0 0 378.435 2.947 20 5 GFBDRN CCS[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000531701139 564918313 /nfs/dbraw/zinc/91/83/13/564918313.db2.gz YHODJTGCYKFRPM-JTQLQIEISA-N 0 0 386.455 2.613 20 5 GFBDRN NC(=O)NC(=O)C1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000499145630 564919557 /nfs/dbraw/zinc/91/95/57/564919557.db2.gz HDJCKVFLHSTZKF-UHFFFAOYSA-N 0 0 385.218 2.523 20 5 GFBDRN COc1cc(CN2CCSC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352011 564935534 /nfs/dbraw/zinc/93/55/34/564935534.db2.gz QVLNKOKYHGGJKD-LLVKDONJSA-N 0 0 378.397 2.505 20 5 GFBDRN COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061744 564954387 /nfs/dbraw/zinc/95/43/87/564954387.db2.gz BQVNUGOTSBDKTI-HOCLYGCPSA-N 0 0 382.463 2.982 20 5 GFBDRN COc1ccccc1O[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467071673 564955417 /nfs/dbraw/zinc/95/54/17/564955417.db2.gz JPBWQGDSGFIKSA-JTQLQIEISA-N 0 0 386.451 2.719 20 5 GFBDRN NS(=O)(=O)c1c(NCCOCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000533124161 564955657 /nfs/dbraw/zinc/95/56/57/564955657.db2.gz WFMJRBWWCBWDQD-UHFFFAOYSA-N 0 0 385.829 2.524 20 5 GFBDRN COc1cccc(O[C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467087528 564955883 /nfs/dbraw/zinc/95/58/83/564955883.db2.gz ZFHOPPFANIJYDW-JTQLQIEISA-N 0 0 386.451 2.719 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000467093978 564956103 /nfs/dbraw/zinc/95/61/03/564956103.db2.gz WXXCVOXNTNFPGX-GFCCVEGCSA-N 0 0 390.483 2.707 20 5 GFBDRN NC(=O)[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000501073278 564969518 /nfs/dbraw/zinc/96/95/18/564969518.db2.gz KZZOTIUPQUHSAV-ZDUSSCGKSA-N 0 0 393.197 2.705 20 5 GFBDRN CCOC(=O)c1cc(NCc2ccc(S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000468623554 564988464 /nfs/dbraw/zinc/98/84/64/564988464.db2.gz UEDRDUKGGFIKHX-UHFFFAOYSA-N 0 0 384.435 2.849 20 5 GFBDRN CCn1cccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1=O ZINC000468758025 564992951 /nfs/dbraw/zinc/99/29/51/564992951.db2.gz AKSFBIMMSPXVBR-UHFFFAOYSA-N 0 0 394.225 2.777 20 5 GFBDRN COC(=O)C1(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000534630453 564993365 /nfs/dbraw/zinc/99/33/65/564993365.db2.gz YGFVOFQXZQDYOD-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN Cn1c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000502798866 565005529 /nfs/dbraw/zinc/00/55/29/565005529.db2.gz DPIHWYJJCWYDOE-AWEZNQCLSA-N 0 0 394.225 2.910 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000503858760 565029941 /nfs/dbraw/zinc/02/99/41/565029941.db2.gz KVRGFFFCHPVWKM-UHFFFAOYSA-N 0 0 378.303 2.672 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCSC1 ZINC000536513711 565039250 /nfs/dbraw/zinc/03/92/50/565039250.db2.gz FNNZYLIAMXEVNC-LBPRGKRZSA-N 0 0 384.479 2.828 20 5 GFBDRN CO[C@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000536554019 565040768 /nfs/dbraw/zinc/04/07/68/565040768.db2.gz QUTWMNLBDXYWDH-GFCCVEGCSA-N 0 0 392.193 2.600 20 5 GFBDRN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000470586105 565050133 /nfs/dbraw/zinc/05/01/33/565050133.db2.gz ZWKUXUFEZCHETH-SSDOTTSWSA-N 0 0 377.348 2.879 20 5 GFBDRN CC[C@H](Cc1ccccc1Br)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000470760751 565055268 /nfs/dbraw/zinc/05/52/68/565055268.db2.gz SGPBFSUUXTYOOY-GFCCVEGCSA-N 0 0 381.230 2.691 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)c1C ZINC000586772193 565115727 /nfs/dbraw/zinc/11/57/27/565115727.db2.gz PFJLBZMKFAEGMZ-BXKDBHETSA-N 0 0 382.360 2.552 20 5 GFBDRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586795753 565117393 /nfs/dbraw/zinc/11/73/93/565117393.db2.gz YKWAPFKVGFGQAD-UHFFFAOYSA-N 0 0 391.185 2.578 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nnc(-c3cccs3)n2C)n1 ZINC000587066692 565121257 /nfs/dbraw/zinc/12/12/57/565121257.db2.gz ZMJYSGZJQJOAAE-UHFFFAOYSA-N 0 0 377.407 2.785 20 5 GFBDRN CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000614858205 565136849 /nfs/dbraw/zinc/13/68/49/565136849.db2.gz QZMACDVXSBQEJP-CYBMUJFWSA-N 0 0 382.360 2.635 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000589295567 565160640 /nfs/dbraw/zinc/16/06/40/565160640.db2.gz OSXADAAJJZZTOX-AWEZNQCLSA-N 0 0 388.492 2.793 20 5 GFBDRN NC(=O)c1ccnc(N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000589600782 565168104 /nfs/dbraw/zinc/16/81/04/565168104.db2.gz PNNGJKVERBJZEY-GFCCVEGCSA-N 0 0 385.207 2.931 20 5 GFBDRN O=C(Nc1nc(CCO)cs1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590392134 565186835 /nfs/dbraw/zinc/18/68/35/565186835.db2.gz MCAWGRBYADCWKF-UHFFFAOYSA-N 0 0 376.419 2.962 20 5 GFBDRN CN(C)c1cnn(C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000590569100 565192334 /nfs/dbraw/zinc/19/23/34/565192334.db2.gz LAFNHHRBKCXNBD-UHFFFAOYSA-N 0 0 395.261 2.856 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CC(F)(F)F)C1 ZINC000591082440 565215409 /nfs/dbraw/zinc/21/54/09/565215409.db2.gz PLPIJAARAYMOBU-NSHDSACASA-N 0 0 377.388 2.830 20 5 GFBDRN COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845390 565241626 /nfs/dbraw/zinc/24/16/26/565241626.db2.gz UIBAYFOEMYSGBY-AWEZNQCLSA-N 0 0 389.246 2.756 20 5 GFBDRN CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000591963095 565245070 /nfs/dbraw/zinc/24/50/70/565245070.db2.gz NXRBMFZNQDDDJX-YUELXQCFSA-N 0 0 387.889 2.999 20 5 GFBDRN CC[C@H](C)C[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083888 565254279 /nfs/dbraw/zinc/25/42/79/565254279.db2.gz RHERQMFMDXLKJO-ONGXEEELSA-N 0 0 384.376 2.689 20 5 GFBDRN CC[C@@H](C)C[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082513 565254568 /nfs/dbraw/zinc/25/45/68/565254568.db2.gz IRLSKLZAIKRQEQ-ZJUUUORDSA-N 0 0 384.376 2.689 20 5 GFBDRN C[C@H]1SCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592116514 565257767 /nfs/dbraw/zinc/25/77/67/565257767.db2.gz VOOYJFIRRKJJCE-RDDDGLTNSA-N 0 0 381.273 2.530 20 5 GFBDRN O=[N+]([O-])c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000592370495 565272703 /nfs/dbraw/zinc/27/27/03/565272703.db2.gz BKPPBLQLCHTOPJ-ZDUSSCGKSA-N 0 0 382.825 2.573 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000618179868 565277626 /nfs/dbraw/zinc/27/76/26/565277626.db2.gz CYFMOWSEPDHYGL-CYBMUJFWSA-N 0 0 382.825 2.790 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592808722 565298214 /nfs/dbraw/zinc/29/82/14/565298214.db2.gz LBYLSHWMGLKHPV-LBPRGKRZSA-N 0 0 390.184 2.523 20 5 GFBDRN Cc1nc(CS(=O)(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000619175500 565331237 /nfs/dbraw/zinc/33/12/37/565331237.db2.gz CKTIXTKQEILDHC-UHFFFAOYSA-N 0 0 384.483 2.590 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000619491203 565344447 /nfs/dbraw/zinc/34/44/47/565344447.db2.gz RPASUTIQTJITKF-NSHDSACASA-N 0 0 384.797 2.669 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000619495968 565344841 /nfs/dbraw/zinc/34/48/41/565344841.db2.gz QJACRXQCBHNXFV-NXEZZACHSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593628148 565349349 /nfs/dbraw/zinc/34/93/49/565349349.db2.gz XZDFQVOZQOVEQK-UHFFFAOYSA-N 0 0 382.335 2.958 20 5 GFBDRN CCN([C@H]1CCCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593635969 565350544 /nfs/dbraw/zinc/35/05/44/565350544.db2.gz IRNKJPWJKNPVJI-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000594486326 565395684 /nfs/dbraw/zinc/39/56/84/565395684.db2.gz NVMQYINYGJJZPV-JTQLQIEISA-N 0 0 378.472 2.549 20 5 GFBDRN Cc1c(Br)c(NCc2nc([C@@H]3CCCO3)n[nH]2)ncc1[N+](=O)[O-] ZINC000594590065 565401843 /nfs/dbraw/zinc/40/18/43/565401843.db2.gz RUWOSMRNUKCRHU-VIFPVBQESA-N 0 0 383.206 2.642 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)s1 ZINC000594840593 565428329 /nfs/dbraw/zinc/42/83/29/565428329.db2.gz ROGVQOZXVDBAKW-CQSZACIVSA-N 0 0 384.435 2.792 20 5 GFBDRN CN(CC1=CCCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594843185 565428466 /nfs/dbraw/zinc/42/84/66/565428466.db2.gz BEGPMMYGILBGLK-UHFFFAOYSA-N 0 0 380.344 2.581 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000594842322 565428527 /nfs/dbraw/zinc/42/85/27/565428527.db2.gz FKNKNCJTRRSIHW-CQSZACIVSA-N 0 0 395.264 2.827 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000594867353 565432998 /nfs/dbraw/zinc/43/29/98/565432998.db2.gz AVXIKRACCLPZCT-CQSZACIVSA-N 0 0 386.426 2.866 20 5 GFBDRN COc1ncc(Br)cc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000594908336 565434581 /nfs/dbraw/zinc/43/45/81/565434581.db2.gz IFBLOSNQSPXEHO-UHFFFAOYSA-N 0 0 394.225 2.850 20 5 GFBDRN CN(CC1=CCSC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595391247 565472406 /nfs/dbraw/zinc/47/24/06/565472406.db2.gz IGIPNVFMKRHWKQ-UHFFFAOYSA-N 0 0 382.385 2.907 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595392938 565472814 /nfs/dbraw/zinc/47/28/14/565472814.db2.gz MNFRHECSXNDEIE-CQSZACIVSA-N 0 0 381.479 2.518 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595417820 565477209 /nfs/dbraw/zinc/47/72/09/565477209.db2.gz YLHNSMVQQUQBRL-IAQYHMDHSA-N 0 0 378.397 2.645 20 5 GFBDRN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000595854090 565494949 /nfs/dbraw/zinc/49/49/49/565494949.db2.gz YVDIKDWWPGDAON-AWEZNQCLSA-N 0 0 387.223 2.944 20 5 GFBDRN CS(=O)(=O)C1(CNc2ncc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000596475214 565525004 /nfs/dbraw/zinc/52/50/04/565525004.db2.gz WUEBFIKTHGXRFZ-UHFFFAOYSA-N 0 0 392.275 2.912 20 5 GFBDRN Cc1c(Br)c(N(CCN2CCOCC2)CC2CC2)ncc1[N+](=O)[O-] ZINC000596517329 565526412 /nfs/dbraw/zinc/52/64/12/565526412.db2.gz MXEBJTNPDZXQEZ-UHFFFAOYSA-N 0 0 399.289 2.609 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCN2Cc2ccccc2)s1 ZINC000596559466 565527680 /nfs/dbraw/zinc/52/76/80/565527680.db2.gz ZBYUMITTWZAWJP-ZDUSSCGKSA-N 0 0 381.479 2.746 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000596799709 565535800 /nfs/dbraw/zinc/53/58/00/565535800.db2.gz ZKTALNVESAYGFF-UHFFFAOYSA-N 0 0 385.854 2.969 20 5 GFBDRN Nc1c(NC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597105054 565551411 /nfs/dbraw/zinc/55/14/11/565551411.db2.gz VEKUKAALWDCDSB-KCJUWKMLSA-N 0 0 382.726 2.750 20 5 GFBDRN Nc1c(NC(=O)N[C@H]2CC[C@](O)(C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091522 565551872 /nfs/dbraw/zinc/55/18/72/565551872.db2.gz BYAUHFARDCTYJJ-JVXZTZIISA-N 0 0 382.726 2.798 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000597577429 565564754 /nfs/dbraw/zinc/56/47/54/565564754.db2.gz GHWPQOUWOWRUGV-KGLIPLIRSA-N 0 0 386.221 2.616 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000597932400 565582378 /nfs/dbraw/zinc/58/23/78/565582378.db2.gz GAASYQSFVGXDIY-RDDDGLTNSA-N 0 0 380.202 2.693 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000598193508 565600699 /nfs/dbraw/zinc/60/06/99/565600699.db2.gz AUJSEMGTNUOXLS-LLVKDONJSA-N 0 0 397.254 2.809 20 5 GFBDRN CC(C)(C)N1C[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000598381727 565612193 /nfs/dbraw/zinc/61/21/93/565612193.db2.gz MWPDKPZRHFEDJH-JTQLQIEISA-N 0 0 398.257 2.734 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000598576107 565627669 /nfs/dbraw/zinc/62/76/69/565627669.db2.gz YRBNAWJPIBWBJH-RFAUZJTJSA-N 0 0 378.759 2.898 20 5 GFBDRN CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CC(F)(F)F ZINC000598582505 565627708 /nfs/dbraw/zinc/62/77/08/565627708.db2.gz ZRIVINDIYITCQD-UHFFFAOYSA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1n[nH]c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1Br ZINC000598734385 565638527 /nfs/dbraw/zinc/63/85/27/565638527.db2.gz HQOWAPPWJJSTBS-UHFFFAOYSA-N 0 0 389.231 2.806 20 5 GFBDRN O=C(NCC[C@@H]1CC1(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000598784227 565642434 /nfs/dbraw/zinc/64/24/34/565642434.db2.gz TVTZSEVOTNJXFP-MRVPVSSYSA-N 0 0 396.131 2.975 20 5 GFBDRN CC(C)C(=O)NC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599072067 565655608 /nfs/dbraw/zinc/65/56/08/565655608.db2.gz XICCDJYZKXJZNR-UHFFFAOYSA-N 0 0 398.257 2.734 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000599370864 565672525 /nfs/dbraw/zinc/67/25/25/565672525.db2.gz AAMOMYCHUYJWMO-LLVKDONJSA-N 0 0 398.750 2.527 20 5 GFBDRN COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1F ZINC000599511831 565687039 /nfs/dbraw/zinc/68/70/39/565687039.db2.gz BTYBMOZHJQLPES-NSHDSACASA-N 0 0 386.426 2.982 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000599701731 565697653 /nfs/dbraw/zinc/69/76/53/565697653.db2.gz ZKMPEBBLMXKDEX-CMPLNLGQSA-N 0 0 387.255 2.704 20 5 GFBDRN CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000600490030 565733047 /nfs/dbraw/zinc/73/30/47/565733047.db2.gz KCFXHKYERZRFNK-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN CCOC(=O)C[C@H](O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000600535547 565736130 /nfs/dbraw/zinc/73/61/30/565736130.db2.gz PNMRNDZEHGDQFB-JTQLQIEISA-N 0 0 399.197 2.598 20 5 GFBDRN C[C@@](CO)(NCc1ncc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150327 565768217 /nfs/dbraw/zinc/76/82/17/565768217.db2.gz VNSMWSSZACVFDS-HNNXBMFYSA-N 0 0 384.205 2.889 20 5 GFBDRN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H](CC(F)(F)F)O1 ZINC000601199671 565770463 /nfs/dbraw/zinc/77/04/63/565770463.db2.gz YGOVWJYWUODTDT-RNFRBKRXSA-N 0 0 376.257 2.893 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(Cc3nccs3)CC2)s1 ZINC000601216879 565771772 /nfs/dbraw/zinc/77/17/72/565771772.db2.gz YIFIGNOUMAOKNP-UHFFFAOYSA-N 0 0 387.508 2.975 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O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000279026642 563280786 /nfs/dbraw/zinc/28/07/86/563280786.db2.gz AYUGDIMEROCNNB-UHFFFAOYSA-N 0 0 394.229 2.797 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296291011 563282551 /nfs/dbraw/zinc/28/25/51/563282551.db2.gz HWNSITDHWQEWFQ-UHFFFAOYSA-N 0 0 394.229 2.839 20 5 GFBDRN Cc1nc(N(CCO)Cc2cc(Br)ccc2F)ncc1[N+](=O)[O-] ZINC000296934549 563308802 /nfs/dbraw/zinc/30/88/02/563308802.db2.gz BJRNSTXWBLGNAD-UHFFFAOYSA-N 0 0 385.193 2.594 20 5 GFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000279797647 563310855 /nfs/dbraw/zinc/31/08/55/563310855.db2.gz JGMGPGNVBJRQGM-GWCFXTLKSA-N 0 0 384.713 2.844 20 5 GFBDRN Cc1cccc(S(=O)(=O)CCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000279998674 563318494 /nfs/dbraw/zinc/31/84/94/563318494.db2.gz RUSWKWLLEBWETH-UHFFFAOYSA-N 0 0 383.447 2.541 20 5 GFBDRN CC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000297759932 563335005 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Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000299183472 563377492 /nfs/dbraw/zinc/37/74/92/563377492.db2.gz ZPTXHZDXWCDBNX-DOMZBBRYSA-N 0 0 386.235 2.884 20 5 GFBDRN Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000281630923 563381081 /nfs/dbraw/zinc/38/10/81/563381081.db2.gz USDPENIUGUOKKM-ZDUSSCGKSA-N 0 0 384.845 2.898 20 5 GFBDRN C[C@@H](Cc1cccc(Br)c1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301134034 563393819 /nfs/dbraw/zinc/39/38/19/563393819.db2.gz ZONFRPAOQJOPOJ-VIFPVBQESA-N 0 0 379.214 2.894 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCCN(c2ncccn2)CC1 ZINC000301214329 563396419 /nfs/dbraw/zinc/39/64/19/563396419.db2.gz WVSMGKZSSKMCDA-UHFFFAOYSA-N 0 0 378.230 2.864 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1cccc(Br)c1 ZINC000301209892 563396629 /nfs/dbraw/zinc/39/66/29/563396629.db2.gz SIFBPQRWPTZLFN-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN C[C@H]1SCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)[C@@H]1C ZINC000301281642 563399470 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CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301549294 563406806 /nfs/dbraw/zinc/40/68/06/563406806.db2.gz QHZKDUYGKSXPHS-SCZZXKLOSA-N 0 0 378.248 2.520 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCCCO[C@H]1CCOC1 ZINC000301622942 563409082 /nfs/dbraw/zinc/40/90/82/563409082.db2.gz YPPTZYJRUKBSJR-NSHDSACASA-N 0 0 392.193 2.807 20 5 GFBDRN Cc1nnc2n1CCC[C@H]2NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375560829 563409855 /nfs/dbraw/zinc/40/98/55/563409855.db2.gz NMFMPLYUACDUSK-GFCCVEGCSA-N 0 0 395.217 2.914 20 5 GFBDRN CN(CC1(O)CCCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000301775551 563412348 /nfs/dbraw/zinc/41/23/48/563412348.db2.gz NSPACUSPKRHXCB-UHFFFAOYSA-N 0 0 382.360 2.630 20 5 GFBDRN CC(C)(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000301883492 563414812 /nfs/dbraw/zinc/41/48/12/563414812.db2.gz JCKNKRMDQKECLH-LBPRGKRZSA-N 0 0 382.360 2.628 20 5 GFBDRN NS(=O)(=O)c1cccc(Oc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000302007553 563418344 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NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(Br)ccc(F)c2C1 ZINC000302158620 563422345 /nfs/dbraw/zinc/42/23/45/563422345.db2.gz XJXQMDXKSTUEHE-UHFFFAOYSA-N 0 0 395.188 2.553 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCCN(c3ccccn3)CC2)c(Br)c1 ZINC000302220956 563423766 /nfs/dbraw/zinc/42/37/66/563423766.db2.gz MGCIYRFWRNFEDS-UHFFFAOYSA-N 0 0 378.230 2.864 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Br)c1 ZINC000282778320 563424344 /nfs/dbraw/zinc/42/43/44/563424344.db2.gz FPXUBLWYMCRDCK-GWCFXTLKSA-N 0 0 386.246 2.732 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000425494620 563425571 /nfs/dbraw/zinc/42/55/71/563425571.db2.gz QYXSFOKOXJCMPB-TZMCWYRMSA-N 0 0 389.271 2.509 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000282813201 563425874 /nfs/dbraw/zinc/42/58/74/563425874.db2.gz OWNQJMCIYUIBFJ-NSHDSACASA-N 0 0 395.213 2.896 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000375990856 563426325 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2.821 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2ncno2)C1 ZINC000377201460 563466518 /nfs/dbraw/zinc/46/65/18/563466518.db2.gz KSTBDULAXUFVGQ-JTQLQIEISA-N 0 0 386.817 2.508 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000427376100 563466826 /nfs/dbraw/zinc/46/68/26/563466826.db2.gz PUHLSVUVSNWUHP-JTQLQIEISA-N 0 0 397.229 2.771 20 5 GFBDRN Cc1nc2c(s1)CCC[C@H]2CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000377226011 563467255 /nfs/dbraw/zinc/46/72/55/563467255.db2.gz YMMNXVLEKPXEPQ-JTQLQIEISA-N 0 0 382.467 2.539 20 5 GFBDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000427580250 563470244 /nfs/dbraw/zinc/47/02/44/563470244.db2.gz OHTICFGNVIKZSA-LBPRGKRZSA-N 0 0 399.241 2.815 20 5 GFBDRN O=C(Nc1cnccc1-n1ccnn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000377423169 563474253 /nfs/dbraw/zinc/47/42/53/563474253.db2.gz IZMKKIJZERTXOA-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428507554 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GFBDRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1csc([N+](=O)[O-])c1 ZINC000430170525 563537804 /nfs/dbraw/zinc/53/78/04/563537804.db2.gz XLAGXODULGLKQB-NSHDSACASA-N 0 0 399.266 3.000 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000331339567 563546294 /nfs/dbraw/zinc/54/62/94/563546294.db2.gz MKBYVINOAGTWKN-JTQLQIEISA-N 0 0 395.300 2.873 20 5 GFBDRN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000408219865 563548000 /nfs/dbraw/zinc/54/80/00/563548000.db2.gz QYGATMBDFZLTQE-ZWNOBZJWSA-N 0 0 376.862 2.666 20 5 GFBDRN CC(=O)NCCN(Cc1ccsc1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286356583 563557664 /nfs/dbraw/zinc/55/76/64/563557664.db2.gz HOLIMIWHJGSWEC-UHFFFAOYSA-N 0 0 377.451 2.804 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000409646201 563567567 /nfs/dbraw/zinc/56/75/67/563567567.db2.gz UHJSYHLPAGWWJK-NSHDSACASA-N 0 0 377.260 2.761 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1COCCN1C1CCCC1 ZINC000332021656 563572341 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCOc2c(F)cccc2C1 ZINC000433458252 563613190 /nfs/dbraw/zinc/61/31/90/563613190.db2.gz GFIUZVQQRIODOC-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CCC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000287905611 563622695 /nfs/dbraw/zinc/62/26/95/563622695.db2.gz BPMUQYWQXWOINQ-GFCCVEGCSA-N 0 0 384.230 2.909 20 5 GFBDRN CCC[C@@]1(CO)CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000288380399 563640797 /nfs/dbraw/zinc/64/07/97/563640797.db2.gz KNTZMBSBCMYSEQ-OAHLLOKOSA-N 0 0 376.862 2.730 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)c(F)cc1Br ZINC000435272619 563647072 /nfs/dbraw/zinc/64/70/72/563647072.db2.gz YZMRAHFAKAMOCO-UHFFFAOYSA-N 0 0 375.129 2.779 20 5 GFBDRN CSC[C@H](CCO)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435322525 563647267 /nfs/dbraw/zinc/64/72/67/563647267.db2.gz DNKKBEUTRQWFLT-JTQLQIEISA-N 0 0 392.275 2.901 20 5 GFBDRN O=C(c1ncsc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000288698843 563654160 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GFBDRN CS(=O)(=O)Nc1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)ccc1F ZINC000350821760 563676592 /nfs/dbraw/zinc/67/65/92/563676592.db2.gz ARIKEVKGHPRQLF-UHFFFAOYSA-N 0 0 384.370 2.884 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCCO[C@@H](CF)C1 ZINC000413485165 563694109 /nfs/dbraw/zinc/69/41/09/563694109.db2.gz TZHSFSFMDBRURP-JTQLQIEISA-N 0 0 380.157 2.764 20 5 GFBDRN C[C@@H](Nc1nc(N[C@@H](C)c2csnn2)c([N+](=O)[O-])s1)c1csnn1 ZINC000413556062 563697218 /nfs/dbraw/zinc/69/72/18/563697218.db2.gz PVUUIXKPSQXUNN-NTSWFWBYSA-N 0 0 384.472 2.522 20 5 GFBDRN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000361679797 563700359 /nfs/dbraw/zinc/70/03/59/563700359.db2.gz AZGXJAJUUQGNTE-SECBINFHSA-N 0 0 385.471 2.551 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ncsc2C1 ZINC000438686219 563708828 /nfs/dbraw/zinc/70/88/28/563708828.db2.gz ZSBDTWPXOFZYAL-UHFFFAOYSA-N 0 0 379.463 2.988 20 5 GFBDRN CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290447238 563709801 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GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000561719491 565006556 /nfs/dbraw/zinc/00/65/56/565006556.db2.gz GPJAIWVPHFDIJC-UHFFFAOYSA-N 0 0 386.495 2.604 20 5 GFBDRN O=c1[nH]c(Cn2cc(Br)c([N+](=O)[O-])n2)nc2ccc(Cl)cc12 ZINC000502830895 565006884 /nfs/dbraw/zinc/00/68/84/565006884.db2.gz ZPFJKPZTSDOQJT-UHFFFAOYSA-N 0 0 384.577 2.904 20 5 GFBDRN CS(=O)(=O)c1cccnc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000503568900 565024362 /nfs/dbraw/zinc/02/43/62/565024362.db2.gz KFLSDUHONAYEST-UHFFFAOYSA-N 0 0 386.227 2.768 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCS1 ZINC000536502043 565039146 /nfs/dbraw/zinc/03/91/46/565039146.db2.gz LLSLMZUNUREUET-LBPRGKRZSA-N 0 0 384.479 2.875 20 5 GFBDRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc([N+](=O)[O-])o1 ZINC000470454662 565047104 /nfs/dbraw/zinc/04/71/04/565047104.db2.gz AOEHLZRAXAHWLQ-NSHDSACASA-N 0 0 380.198 2.959 20 5 GFBDRN Cc1[nH]nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1[N+](=O)[O-] ZINC000536807126 565047462 /nfs/dbraw/zinc/04/74/62/565047462.db2.gz UANITGWWRZRTDT-UHFFFAOYSA-N 0 0 381.179 2.793 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3ccc(F)c(Cl)c32)c([N+](=O)[O-])n1 ZINC000563056878 565053244 /nfs/dbraw/zinc/05/32/44/565053244.db2.gz DBVRPAVAZLBRIS-UHFFFAOYSA-N 0 0 388.808 2.745 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CC(F)(F)F)CC1 ZINC000585741429 565109151 /nfs/dbraw/zinc/10/91/51/565109151.db2.gz PETMCLWFGKPSOZ-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN CNC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585808110 565112387 /nfs/dbraw/zinc/11/23/87/565112387.db2.gz BMIOATHTLHYWKD-LBPRGKRZSA-N 0 0 387.234 2.640 20 5 GFBDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000586772590 565116106 /nfs/dbraw/zinc/11/61/06/565116106.db2.gz OAKUSJITFFEYPC-WRWORJQWSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000586849813 565119469 /nfs/dbraw/zinc/11/94/69/565119469.db2.gz FOJZLYRPIIECCR-SNVBAGLBSA-N 0 0 381.841 2.846 20 5 GFBDRN CCc1nnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000589484241 565165500 /nfs/dbraw/zinc/16/55/00/565165500.db2.gz KGACHFRSERSHAV-UHFFFAOYSA-N 0 0 385.243 2.630 20 5 GFBDRN NC(=O)c1ccnc(N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000589600793 565168315 /nfs/dbraw/zinc/16/83/15/565168315.db2.gz PNNGJKVERBJZEY-LBPRGKRZSA-N 0 0 385.207 2.931 20 5 GFBDRN CC(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000615946824 565180607 /nfs/dbraw/zinc/18/06/07/565180607.db2.gz IVHBSKMDMBQJLT-GFCCVEGCSA-N 0 0 386.861 2.700 20 5 GFBDRN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000616394664 565199825 /nfs/dbraw/zinc/19/98/25/565199825.db2.gz JUYYZUQJTLLAOU-RKDXNWHRSA-N 0 0 394.234 2.545 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000616420861 565200600 /nfs/dbraw/zinc/20/06/00/565200600.db2.gz CYFNZAQSOFTJSC-GHMZBOCLSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000616420862 565200708 /nfs/dbraw/zinc/20/07/08/565200708.db2.gz CYFNZAQSOFTJSC-MNOVXSKESA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000591328909 565225333 /nfs/dbraw/zinc/22/53/33/565225333.db2.gz ZJHNXFXZUMDMLC-MFKMUULPSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@H]1SCC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592736028 565291002 /nfs/dbraw/zinc/29/10/02/565291002.db2.gz PPSCLLDABIABBC-HQJQHLMTSA-N 0 0 392.218 2.823 20 5 GFBDRN C[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000592747197 565291986 /nfs/dbraw/zinc/29/19/86/565291986.db2.gz OEBTVYYOIYKHLH-LLVKDONJSA-N 0 0 396.245 2.733 20 5 GFBDRN CCN1C[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000593499080 565336464 /nfs/dbraw/zinc/33/64/64/565336464.db2.gz NMEVLDMCBSAGOW-SNVBAGLBSA-N 0 0 393.241 2.608 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC[C@H](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000619532419 565346834 /nfs/dbraw/zinc/34/68/34/565346834.db2.gz SIXAECDVOVLYSM-QMMMGPOBSA-N 0 0 384.230 2.767 20 5 GFBDRN Cc1c(NC(=O)CCn2ccccc2=O)cc(Br)cc1[N+](=O)[O-] ZINC000619534656 565347425 /nfs/dbraw/zinc/34/74/25/565347425.db2.gz BLJJEEBZFZPRLE-UHFFFAOYSA-N 0 0 380.198 2.856 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC1(C2CCC2)CC1 ZINC000593646239 565351761 /nfs/dbraw/zinc/35/17/61/565351761.db2.gz ZNQPASXTLYNFCC-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN C[C@@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593654031 565353977 /nfs/dbraw/zinc/35/39/77/565353977.db2.gz FTDOZFUIJJVVNX-VIFPVBQESA-N 0 0 382.360 2.707 20 5 GFBDRN CNc1nccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000594353924 565382165 /nfs/dbraw/zinc/38/21/65/565382165.db2.gz MWIBBCSIKGJASM-WCQYABFASA-N 0 0 391.225 2.502 20 5 GFBDRN CC1(C)OCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595393679 565472763 /nfs/dbraw/zinc/47/27/63/565472763.db2.gz YKVBLQKJJOAWKI-JTQLQIEISA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000595398902 565473586 /nfs/dbraw/zinc/47/35/86/565473586.db2.gz BSBLQVKPEJASQH-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595414920 565475660 /nfs/dbraw/zinc/47/56/60/565475660.db2.gz IHFGWMNJBUYVAU-BMIGLBTASA-N 0 0 378.397 2.590 20 5 GFBDRN O=C1CCCN1C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595831258 565492385 /nfs/dbraw/zinc/49/23/85/565492385.db2.gz ZPSMYMZVRCXNHW-LBPRGKRZSA-N 0 0 382.258 2.802 20 5 GFBDRN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595861340 565494838 /nfs/dbraw/zinc/49/48/38/565494838.db2.gz TYPFWNMWVJSNAN-QMTHXVAHSA-N 0 0 390.221 2.650 20 5 GFBDRN Cc1cc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC000596085122 565513265 /nfs/dbraw/zinc/51/32/65/565513265.db2.gz AHYOMONJTSLEDU-UHFFFAOYSA-N 0 0 381.479 2.866 20 5 GFBDRN CC1(C)CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000596208668 565515110 /nfs/dbraw/zinc/51/51/10/565515110.db2.gz UWABAQWWTBQRIU-LBPRGKRZSA-N 0 0 381.376 2.657 20 5 GFBDRN Cc1noc(CN2c3ccc(Br)cc3CS2(=O)=O)c1[N+](=O)[O-] ZINC000596275007 565518202 /nfs/dbraw/zinc/51/82/02/565518202.db2.gz IHYXMPNMTVDNQM-UHFFFAOYSA-N 0 0 388.199 2.504 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](C(=O)NC(C)C)C2)ncc1[N+](=O)[O-] ZINC000596535347 565526607 /nfs/dbraw/zinc/52/66/07/565526607.db2.gz BNCGJNOTKLBOKH-LLVKDONJSA-N 0 0 385.262 2.802 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC3CC2(C)C3)cc(Br)cc1[N+](=O)[O-] ZINC000596577883 565528484 /nfs/dbraw/zinc/52/84/84/565528484.db2.gz ULRRWWRLTHJNOM-UHFFFAOYSA-N 0 0 382.214 2.615 20 5 GFBDRN Nc1c(NC(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091523 565552007 /nfs/dbraw/zinc/55/20/07/565552007.db2.gz BYAUHFARDCTYJJ-KRTXAFLBSA-N 0 0 382.726 2.798 20 5 GFBDRN Cc1n[nH]c(C)c1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000597732384 565572847 /nfs/dbraw/zinc/57/28/47/565572847.db2.gz PQYZUNAGOVCOKZ-UHFFFAOYSA-N 0 0 381.230 2.978 20 5 GFBDRN COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000597921729 565581836 /nfs/dbraw/zinc/58/18/36/565581836.db2.gz IYYYBPGORCKRGA-CQSZACIVSA-N 0 0 387.230 2.529 20 5 GFBDRN COC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000597924990 565582796 /nfs/dbraw/zinc/58/27/96/565582796.db2.gz MAPYYJHEEOVCAK-SECBINFHSA-N 0 0 393.259 2.590 20 5 GFBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000597963869 565586197 /nfs/dbraw/zinc/58/61/97/565586197.db2.gz QWLQFPIQWHZPMW-UHFFFAOYSA-N 0 0 382.203 2.648 20 5 GFBDRN C[C@H](CO)[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598019957 565589536 /nfs/dbraw/zinc/58/95/36/565589536.db2.gz NAEIWGGJCIFJQS-IAQYHMDHSA-N 0 0 385.258 2.909 20 5 GFBDRN CCOC(=O)C[C@@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])C(F)(F)F ZINC000598050762 565590550 /nfs/dbraw/zinc/59/05/50/565590550.db2.gz SRFCWFTYCCJDGP-SNVBAGLBSA-N 0 0 380.344 2.931 20 5 GFBDRN Cn1c(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000598228887 565603851 /nfs/dbraw/zinc/60/38/51/565603851.db2.gz INTYNSKNGXNOEF-CQSZACIVSA-N 0 0 394.225 2.910 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000598298769 565607501 /nfs/dbraw/zinc/60/75/01/565607501.db2.gz PWDFIPNTHJOSDA-UHFFFAOYSA-N 0 0 376.257 2.961 20 5 GFBDRN Cc1nn(C)c(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598423487 565615942 /nfs/dbraw/zinc/61/59/42/565615942.db2.gz LTTQDXPKXIGXTO-GFCCVEGCSA-N 0 0 379.214 2.986 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598604391 565628870 /nfs/dbraw/zinc/62/88/70/565628870.db2.gz MPNFOPUYCGXHRA-SKDRFNHKSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c(C)c1[N+](=O)[O-] ZINC000598604898 565629044 /nfs/dbraw/zinc/62/90/44/565629044.db2.gz BQNXDVYODVTYCA-XJKSGUPXSA-N 0 0 386.495 2.545 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598626480 565630753 /nfs/dbraw/zinc/63/07/53/565630753.db2.gz WVLUVKZYSAYGLV-RKDXNWHRSA-N 0 0 383.253 2.541 20 5 GFBDRN COC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000598852297 565646771 /nfs/dbraw/zinc/64/67/71/565646771.db2.gz GVUIMAWZIKOFMY-CYBMUJFWSA-N 0 0 387.230 2.529 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccco1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599038555 565654213 /nfs/dbraw/zinc/65/42/13/565654213.db2.gz LOYSANQRKYKKEU-JTQLQIEISA-N 0 0 383.198 2.531 20 5 GFBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461920 565680960 /nfs/dbraw/zinc/68/09/60/565680960.db2.gz XNQYRDKHUCPASB-NMSKTSORSA-N 0 0 382.360 2.704 20 5 GFBDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599508201 565687150 /nfs/dbraw/zinc/68/71/50/565687150.db2.gz QBTKMIXMZQPNND-MNOVXSKESA-N 0 0 398.257 2.734 20 5 GFBDRN CCc1nn(C)c(OC)c1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599734031 565698282 /nfs/dbraw/zinc/69/82/82/565698282.db2.gz SAZIWVIHRZGMHV-UHFFFAOYSA-N 0 0 397.229 2.592 20 5 GFBDRN O=C(NCCc1cn2c(n1)SCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599770958 565700335 /nfs/dbraw/zinc/70/03/35/565700335.db2.gz HIRMMHLZHUETRM-UHFFFAOYSA-N 0 0 397.254 2.632 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 ZINC000599770313 565700395 /nfs/dbraw/zinc/70/03/95/565700395.db2.gz MUGKSNHAHRIVOK-UHFFFAOYSA-N 0 0 399.241 2.769 20 5 GFBDRN COC[C@]1(C)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000599787912 565702526 /nfs/dbraw/zinc/70/25/26/565702526.db2.gz YCWKFYXRCORWLI-AWEZNQCLSA-N 0 0 388.218 2.627 20 5 GFBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599970331 565709040 /nfs/dbraw/zinc/70/90/40/565709040.db2.gz LPRZEBLUPXKUMR-SNVBAGLBSA-N 0 0 386.246 2.640 20 5 GFBDRN C[C@]1(C(F)F)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000600117916 565715484 /nfs/dbraw/zinc/71/54/84/565715484.db2.gz XTCJUKJYMJIPOO-CYBMUJFWSA-N 0 0 379.157 2.854 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CC[C@@H](Sc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000600537416 565736108 /nfs/dbraw/zinc/73/61/08/565736108.db2.gz QHJQOOVIMDTWCG-CQSZACIVSA-N 0 0 379.463 2.854 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCSCCNS(=O)(=O)c2ccccc2)cc1 ZINC000600571826 565737531 /nfs/dbraw/zinc/73/75/31/565737531.db2.gz WJFHYCNXWXWMIE-UHFFFAOYSA-N 0 0 382.463 2.685 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000601105437 565767296 /nfs/dbraw/zinc/76/72/96/565767296.db2.gz GQDXATJOFRXDQY-SSDOTTSWSA-N 0 0 376.257 2.895 20 5 GFBDRN COCCN(Cc1cccs1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601298108 565775182 /nfs/dbraw/zinc/77/51/82/565775182.db2.gz DWZXUEQDZLOFMM-UHFFFAOYSA-N 0 0 376.481 2.864 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)c(F)cc1[N+](=O)[O-] ZINC000601370455 565779037 /nfs/dbraw/zinc/77/90/37/565779037.db2.gz RZGICTJPNLHIEI-CQSZACIVSA-N 0 0 386.426 2.866 20 5 GFBDRN CSC1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000601480111 565785620 /nfs/dbraw/zinc/78/56/20/565785620.db2.gz JPKDVNKWYCCIIC-UHFFFAOYSA-N 0 0 395.300 2.873 20 5 GFBDRN O=C(NC1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1)C1CC1 ZINC000602437453 565847418 /nfs/dbraw/zinc/84/74/18/565847418.db2.gz YDIGPEZCWNOHJZ-UHFFFAOYSA-N 0 0 388.287 2.909 20 5 GFBDRN Cn1cnnc1C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602448800 565848571 /nfs/dbraw/zinc/84/85/71/565848571.db2.gz QBHMQSRZFHSBMF-UHFFFAOYSA-N 0 0 386.275 2.927 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCO[C@@H]([C@H]3CCCO3)C2)cc1Br ZINC000602480960 565850857 /nfs/dbraw/zinc/85/08/57/565850857.db2.gz ANRXNTKMPDYSRZ-VXGBXAGGSA-N 0 0 377.260 2.799 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1Br ZINC000602682254 565862000 /nfs/dbraw/zinc/86/20/00/565862000.db2.gz PFFAMWMBCHHSEL-WDEREUQCSA-N 0 0 395.300 2.570 20 5 GFBDRN CN(CC1=CCSC1)c1ncc([N+](=O)[O-])c(N(C)CC2=CCSC2)n1 ZINC000603413549 565903995 /nfs/dbraw/zinc/90/39/95/565903995.db2.gz YIIZEOPIQRFDQA-UHFFFAOYSA-N 0 0 379.511 2.604 20 5 GFBDRN CC(=O)N1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000603552884 565910178 /nfs/dbraw/zinc/91/01/78/565910178.db2.gz DSMCSXDBWRWPAK-UHFFFAOYSA-N 0 0 393.241 2.750 20 5 GFBDRN COc1ccc(Cl)cc1CN(C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603931066 565919495 /nfs/dbraw/zinc/91/94/95/565919495.db2.gz ZUJWYUOIFPILGM-UHFFFAOYSA-N 0 0 385.829 2.541 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1Cc2ccccc2C1 ZINC000604429651 565929762 /nfs/dbraw/zinc/92/97/62/565929762.db2.gz SQFXXBHUVMBOMR-UHFFFAOYSA-N 0 0 381.841 2.542 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000609740934 566051474 /nfs/dbraw/zinc/05/14/74/566051474.db2.gz SBUDTKQAKULCME-AWEZNQCLSA-N 0 0 386.813 2.912 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c1 ZINC000610032557 566062662 /nfs/dbraw/zinc/06/26/62/566062662.db2.gz JXJFUXRLUBMKGL-UHFFFAOYSA-N 0 0 397.210 2.806 20 5 GFBDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000610067881 566064028 /nfs/dbraw/zinc/06/40/28/566064028.db2.gz YVEKWZZMNVJZAQ-GFCCVEGCSA-N 0 0 382.722 2.807 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000610409208 566080085 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2.977 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC(F)(F)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000610786019 566099497 /nfs/dbraw/zinc/09/94/97/566099497.db2.gz PRJPXKDUTRMUPQ-LLVKDONJSA-N 0 0 375.397 2.979 20 5 GFBDRN CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610955769 566107939 /nfs/dbraw/zinc/10/79/39/566107939.db2.gz RBLAJBKAFHIHRG-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCc2ncccc2C1 ZINC000611007344 566110445 /nfs/dbraw/zinc/11/04/45/566110445.db2.gz HJBKQGKUBNNYCE-UHFFFAOYSA-N 0 0 376.210 2.880 20 5 GFBDRN COc1ccccc1OCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611281123 566124491 /nfs/dbraw/zinc/12/44/91/566124491.db2.gz YZZPXWPCKBPBHN-UHFFFAOYSA-N 0 0 386.451 2.949 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000612630308 566168240 /nfs/dbraw/zinc/16/82/40/566168240.db2.gz FGOVPHNCSLFXLE-TVQRCGJNSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736168804 598859174 /nfs/dbraw/zinc/85/91/74/598859174.db2.gz KDVWGMKVJUXXBM-JTQLQIEISA-N 0 0 379.336 2.965 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737300984 598929710 /nfs/dbraw/zinc/92/97/10/598929710.db2.gz GMGHYEYQIOYBRS-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN COC(=O)C=Cc1ccc(NCc2cc(-c3nn[nH]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000821656838 599069720 /nfs/dbraw/zinc/06/97/20/599069720.db2.gz ALOIHCNHZVSNGO-XVNBXDOJSA-N 0 0 398.354 2.712 20 5 GFBDRN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)Oc1ccc(Cl)cc1 ZINC000820281168 599092573 /nfs/dbraw/zinc/09/25/73/599092573.db2.gz STPSKWCCMHULEV-SECBINFHSA-N 0 0 375.776 2.703 20 5 GFBDRN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823224122 599248225 /nfs/dbraw/zinc/24/82/25/599248225.db2.gz PVNYGXFKJCUHNC-UHFFFAOYSA-N 0 0 387.787 2.793 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N(Cc3ccccn3)C3CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643842 607304134 /nfs/dbraw/zinc/30/41/34/607304134.db2.gz CPLSDUZWCSTPBG-UHFFFAOYSA-N 0 0 388.391 2.887 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H]3Cc4ccccc4O3)cc(-c3nn[nH]n3)c2c1 ZINC000738366962 599271567 /nfs/dbraw/zinc/27/15/67/599271567.db2.gz LHOIPGSYVBGBTK-ZDUSSCGKSA-N 0 0 389.375 2.739 20 5 GFBDRN O=C(OCc1ccc(-c2nn[nH]n2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738231255 598432313 /nfs/dbraw/zinc/43/23/13/598432313.db2.gz KPWHPSWUGDLSMS-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000737214030 598546579 /nfs/dbraw/zinc/54/65/79/598546579.db2.gz CJSBYKQHYZBZIE-UHFFFAOYSA-N 0 0 390.306 2.937 20 5 GFBDRN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)Oc1cccc([N+](=O)[O-])c1 ZINC000737841040 598645692 /nfs/dbraw/zinc/64/56/92/598645692.db2.gz JHFKUKLTLQTDFL-UHFFFAOYSA-N 0 0 383.364 2.930 20 5 GFBDRN O=C(c1ccc(Oc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000738271520 598673436 /nfs/dbraw/zinc/67/34/36/598673436.db2.gz WHYVHPAWWYVCIH-UHFFFAOYSA-N 0 0 380.364 2.803 20 5 GFBDRN O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738359509 598756743 /nfs/dbraw/zinc/75/67/43/598756743.db2.gz SIWRENXHXCKVGB-UHFFFAOYSA-N 0 0 384.371 2.962 20 5 GFBDRN Nc1nc(Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)ncc1[N+](=O)[O-] ZINC000737776227 598796807 /nfs/dbraw/zinc/79/68/07/598796807.db2.gz LFDWKOGCSZVRHK-UHFFFAOYSA-N 0 0 391.351 2.683 20 5 GFBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820570407 599569489 /nfs/dbraw/zinc/56/94/89/599569489.db2.gz JGUSSNSJFOESQG-CYBMUJFWSA-N 0 0 397.414 2.797 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000821745438 607412339 /nfs/dbraw/zinc/41/23/39/607412339.db2.gz WFWAWIXEHVUBQB-UHFFFAOYSA-N 0 0 375.366 2.510 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000826246246 607432271 /nfs/dbraw/zinc/43/22/71/607432271.db2.gz XVFHHCZPPWXAQR-SFHVURJKSA-N 0 0 396.432 2.971 20 5 GFBDRN C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727406 600692184 /nfs/dbraw/zinc/69/21/84/600692184.db2.gz JKXFCMNBPMXOPX-QMTHXVAHSA-N 0 0 375.406 2.811 20 5 GFBDRN Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000832864011 601740847 /nfs/dbraw/zinc/74/08/47/601740847.db2.gz ZPVUPRSAJGPUOD-NRFANRHFSA-N 0 0 397.431 2.752 20 5 GFBDRN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000824744634 607524179 /nfs/dbraw/zinc/52/41/79/607524179.db2.gz CPGWJUANWYQEDH-SECBINFHSA-N 0 0 388.771 2.834 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740151490 602266415 /nfs/dbraw/zinc/26/64/15/602266415.db2.gz CREZJJGLVJPJIA-BBRMVZONSA-N 0 0 378.429 2.742 20 5 GFBDRN CCN(CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1)C(=O)[O-] ZINC000827094148 603543298 /nfs/dbraw/zinc/54/32/98/603543298.db2.gz XZQNLKXQNVKPKJ-UHFFFAOYSA-N 0 0 392.456 2.944 20 5 GFBDRN O=C([O-])NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000832657671 603574876 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399.822 2.768 20 5 GFBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ncn1 ZINC000741957029 655709160 /nfs/dbraw/zinc/70/91/60/655709160.db2.gz SANKKFMBIYLIGA-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN Cc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000742277507 655713667 /nfs/dbraw/zinc/71/36/67/655713667.db2.gz XAOTUMMKKOPOTD-UHFFFAOYSA-N 0 0 389.227 2.780 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccccc1OCC(F)(F)F ZINC000742290280 655714276 /nfs/dbraw/zinc/71/42/76/655714276.db2.gz SPHXQNSJJAQMPB-UHFFFAOYSA-N 0 0 378.284 2.699 20 5 GFBDRN CCN(Cc1ccccc1Br)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000743543622 655729870 /nfs/dbraw/zinc/72/98/70/655729870.db2.gz XSDXRNCPDWENKJ-UHFFFAOYSA-N 0 0 381.230 2.911 20 5 GFBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1ccsc1 ZINC000744237030 655737053 /nfs/dbraw/zinc/73/70/53/655737053.db2.gz YYQLQLQGYPGWHO-NSHDSACASA-N 0 0 384.435 2.844 20 5 GFBDRN Cc1nc(C)c(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000744565049 655741933 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CCOCCNC(=S)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000750980602 655819685 /nfs/dbraw/zinc/81/96/85/655819685.db2.gz JKRLJCQFQOIVGZ-UHFFFAOYSA-N 0 0 380.392 2.526 20 5 GFBDRN Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000751222556 655823306 /nfs/dbraw/zinc/82/33/06/655823306.db2.gz MMKRPCDAXXBUCI-MRXNPFEDSA-N 0 0 384.841 2.877 20 5 GFBDRN Cc1cc2c(cc1Br)N(C(=O)Cn1ccc([N+](=O)[O-])n1)C[C@H](C)O2 ZINC000751328301 655825357 /nfs/dbraw/zinc/82/53/57/655825357.db2.gz VHYIYOZRRLBFDU-JTQLQIEISA-N 0 0 395.213 2.676 20 5 GFBDRN COC(=O)c1sccc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000751468010 655828728 /nfs/dbraw/zinc/82/87/28/655828728.db2.gz KPTUZPLMYONHHS-UHFFFAOYSA-N 0 0 377.783 2.864 20 5 GFBDRN COC(=O)c1sccc1S(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000751496500 655830094 /nfs/dbraw/zinc/83/00/94/655830094.db2.gz WVCPLGSCEWQSIB-UHFFFAOYSA-N 0 0 390.826 2.575 20 5 GFBDRN CS(=O)(=O)CCCCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751643965 655832141 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GFBDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000753816327 655859265 /nfs/dbraw/zinc/85/92/65/655859265.db2.gz UVBXREOTEKSOTR-CPJLOUKISA-N 0 0 382.873 2.770 20 5 GFBDRN CS(=O)(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000753943226 655861161 /nfs/dbraw/zinc/86/11/61/655861161.db2.gz PSBCYXOIWCSITP-UHFFFAOYSA-N 0 0 380.447 2.870 20 5 GFBDRN O=C(OCC[C@@H]1CCOC1=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000754116822 655863903 /nfs/dbraw/zinc/86/39/03/655863903.db2.gz WDZYNBSPBQYWCW-ZETCQYMHSA-N 0 0 376.134 2.606 20 5 GFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000754153821 655864362 /nfs/dbraw/zinc/86/43/62/655864362.db2.gz JJDKTMGEFKPDJG-IVCQMTBJSA-N 0 0 382.873 2.770 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccnc1Br ZINC000756246398 655897499 /nfs/dbraw/zinc/89/74/99/655897499.db2.gz UMSJZXACDOCYCN-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN C[S@](=O)c1ccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000756964461 655907953 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CC(C)(CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000172153194 551672085 /nfs/dbraw/zinc/67/20/85/551672085.db2.gz MXSGZRBVOVIOFN-UHFFFAOYSA-N 0 0 382.463 2.767 20 5 GFBDRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])NC(=O)NC1CCCC1 ZINC000173036747 551693137 /nfs/dbraw/zinc/69/31/37/551693137.db2.gz OVCWNSBXLYNACM-UHFFFAOYSA-N 0 0 386.202 2.505 20 5 GFBDRN CC[C@@](C)(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173373439 552084553 /nfs/dbraw/zinc/08/45/53/552084553.db2.gz IHLRJWQIFKNACC-OAHLLOKOSA-N 0 0 385.467 2.972 20 5 GFBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000173587228 552088965 /nfs/dbraw/zinc/08/89/65/552088965.db2.gz IQZIMMKGOWDBSS-UHFFFAOYSA-N 0 0 379.722 2.988 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)CSc2nnc(NC3CCCCC3)s2)c1 ZINC000174683161 552108852 /nfs/dbraw/zinc/10/88/52/552108852.db2.gz LKTFHVHBMUCXCC-LBPRGKRZSA-N 0 0 384.487 2.541 20 5 GFBDRN Nc1c(C(=O)NCCc2nc(C(F)(F)F)cs2)cc(F)cc1[N+](=O)[O-] ZINC000174841218 552111494 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/nfs/dbraw/zinc/27/74/26/552277426.db2.gz FFRNSNFWDREISL-UHFFFAOYSA-N 0 0 381.479 2.884 20 5 GFBDRN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000182641054 552289374 /nfs/dbraw/zinc/28/93/74/552289374.db2.gz AOZVSNKQUCRJHR-RYUDHWBXSA-N 0 0 387.889 2.566 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000183132624 552301526 /nfs/dbraw/zinc/30/15/26/552301526.db2.gz XEXGNYCVHGGQES-ZDUSSCGKSA-N 0 0 386.426 2.866 20 5 GFBDRN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183730470 552317905 /nfs/dbraw/zinc/31/79/05/552317905.db2.gz DNQGOZPLYVBUIA-LBPRGKRZSA-N 0 0 398.238 2.717 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCc1nc2c(s1)CCCC2 ZINC000184388195 552334665 /nfs/dbraw/zinc/33/46/65/552334665.db2.gz YOCBGGBYULDBRG-UHFFFAOYSA-N 0 0 381.479 2.592 20 5 GFBDRN O=[N+]([O-])c1ccn(CCN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000185267986 552359289 /nfs/dbraw/zinc/35/92/89/552359289.db2.gz IHWPBNCYOAQYOY-AWEZNQCLSA-N 0 0 399.220 2.766 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1c1nccs1 ZINC000185423630 552363156 /nfs/dbraw/zinc/36/31/56/552363156.db2.gz PNDLWMFETRDDDH-LBPRGKRZSA-N 0 0 385.492 2.839 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCSC[C@@H]1c1nccs1 ZINC000185431410 552363483 /nfs/dbraw/zinc/36/34/83/552363483.db2.gz NOOPLSTZNFZVRZ-CQSZACIVSA-N 0 0 399.519 2.714 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000186056654 552378151 /nfs/dbraw/zinc/37/81/51/552378151.db2.gz XNEZRESBJVYCPO-UHFFFAOYSA-N 0 0 378.186 2.502 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000187350588 552413079 /nfs/dbraw/zinc/41/30/79/552413079.db2.gz OFGBMZKVGIPOTI-UHFFFAOYSA-N 0 0 378.801 2.676 20 5 GFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CC(F)F)C(C)C)c(C)c1[N+](=O)[O-] ZINC000190078823 552486678 /nfs/dbraw/zinc/48/66/78/552486678.db2.gz IBYHGSJNKOXKNV-UHFFFAOYSA-N 0 0 381.357 2.784 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190057201 552486684 /nfs/dbraw/zinc/48/66/84/552486684.db2.gz GGVMXKCSYODKPX-XACMVJRISA-N 0 0 388.511 2.570 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000190706466 552506441 /nfs/dbraw/zinc/50/64/41/552506441.db2.gz ONCMCJHUBLRTJK-PUYPPJJSSA-N 0 0 397.225 2.771 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Br)ccc2C1 ZINC000191590770 552532600 /nfs/dbraw/zinc/53/26/00/552532600.db2.gz BEIIDAHIDKBARG-UHFFFAOYSA-N 0 0 377.198 2.533 20 5 GFBDRN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237903232 553083886 /nfs/dbraw/zinc/08/38/86/553083886.db2.gz MJOFJJHZDBZOOM-KWQFWETISA-N 0 0 382.269 2.697 20 5 GFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000248847361 553135679 /nfs/dbraw/zinc/13/56/79/553135679.db2.gz PKHGSDFFLPTNGN-FZZIBODNSA-N 0 0 397.225 2.771 20 5 GFBDRN Cc1nsc(C)c1COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000294669371 563212619 /nfs/dbraw/zinc/21/26/19/563212619.db2.gz UERLYQWNLMKPGF-UHFFFAOYSA-N 0 0 381.435 2.603 20 5 GFBDRN Cn1nccc1[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000369493898 563215753 /nfs/dbraw/zinc/21/57/53/563215753.db2.gz MLWRWLIUHDWNAG-NSHDSACASA-N 0 0 384.845 2.550 20 5 GFBDRN CC(C)(CCC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[N+](=O)[O-] ZINC000294786752 563217057 /nfs/dbraw/zinc/21/70/57/563217057.db2.gz HEJYKVLNNVQWLC-JTQLQIEISA-N 0 0 379.240 2.685 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000277666794 563220256 /nfs/dbraw/zinc/22/02/56/563220256.db2.gz VTDSVQGZDNNUJR-PVBMHHQDSA-N 0 0 389.271 2.649 20 5 GFBDRN COc1ncc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1Cl ZINC000294899393 563220789 /nfs/dbraw/zinc/22/07/89/563220789.db2.gz DRSOAZBEQLFDRL-UHFFFAOYSA-N 0 0 377.831 2.729 20 5 GFBDRN C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[S@@](=O)C1 ZINC000277854628 563229221 /nfs/dbraw/zinc/22/92/21/563229221.db2.gz COOCWUQRFPVHEE-IWHNICOQSA-N 0 0 381.332 2.727 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CCOC2(CCCC2)C1 ZINC000418888665 563229287 /nfs/dbraw/zinc/22/92/87/563229287.db2.gz CGUFOQSXZFBPSZ-UHFFFAOYSA-N 0 0 389.193 2.744 20 5 GFBDRN CC[C@@H](C)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000277857949 563229335 /nfs/dbraw/zinc/22/93/35/563229335.db2.gz JRCPKPDINZOIBR-HZGVNTEJSA-N 0 0 379.232 2.736 20 5 GFBDRN CC[C@@H](C)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000277857957 563229479 /nfs/dbraw/zinc/22/94/79/563229479.db2.gz JRCPKPDINZOIBR-MUWHJKNJSA-N 0 0 379.232 2.736 20 5 GFBDRN C[C@H]1C[C@@H](CCNc2c(I)cncc2[N+](=O)[O-])CCO1 ZINC000418912294 563230101 /nfs/dbraw/zinc/23/01/01/563230101.db2.gz MOCCSZCMYXSXKZ-UWVGGRQHSA-N 0 0 391.209 2.633 20 5 GFBDRN C[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000418936187 563231220 /nfs/dbraw/zinc/23/12/20/563231220.db2.gz LXWMJEFLTWCGAO-PELKAZGASA-N 0 0 389.193 2.598 20 5 GFBDRN CC(C)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCCO1 ZINC000418956221 563231730 /nfs/dbraw/zinc/23/17/30/563231730.db2.gz 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CCn1ccnc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295591175 563255101 /nfs/dbraw/zinc/25/51/01/563255101.db2.gz WPOKMNNHOAXKKH-UHFFFAOYSA-N 0 0 379.225 2.597 20 5 GFBDRN CCO/C=C/[C@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)C(F)(F)F ZINC000295727709 563260287 /nfs/dbraw/zinc/26/02/87/563260287.db2.gz VLUKQOCFJRDOTL-PCAWENJQSA-N 0 0 378.332 2.855 20 5 GFBDRN CC(C)C[C@H](C(N)=O)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000420489807 563267098 /nfs/dbraw/zinc/26/70/98/563267098.db2.gz ZKYCSMTVHRTKSY-LLVKDONJSA-N 0 0 397.229 2.946 20 5 GFBDRN COC(=O)c1ccc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000420741626 563281644 /nfs/dbraw/zinc/28/16/44/563281644.db2.gz TZOBTRNQGBKINU-UHFFFAOYSA-N 0 0 384.435 2.538 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000420744502 563282108 /nfs/dbraw/zinc/28/21/08/563282108.db2.gz CAMJZZPLCUQNON-LBPRGKRZSA-N 0 0 376.862 2.730 20 5 GFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000371598826 563282361 /nfs/dbraw/zinc/28/23/61/563282361.db2.gz UKQMKNJRUUKOAQ-UHFFFAOYSA-N 0 0 388.808 2.610 20 5 GFBDRN CC(C)n1cc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000420756219 563284454 /nfs/dbraw/zinc/28/44/54/563284454.db2.gz CUZRJRNSQAOKBT-UHFFFAOYSA-N 0 0 387.849 2.634 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000371690347 563285306 /nfs/dbraw/zinc/28/53/06/563285306.db2.gz XBDQHIKBOOZLPX-UONOGXRCSA-N 0 0 386.857 2.747 20 5 GFBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC2(CCOCC2)O1 ZINC000279182681 563286515 /nfs/dbraw/zinc/28/65/15/563286515.db2.gz INMKESRRFMTRID-LLVKDONJSA-N 0 0 399.241 2.767 20 5 GFBDRN CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](O)C(F)F ZINC000296426657 563286632 /nfs/dbraw/zinc/28/66/32/563286632.db2.gz XXBBNIABNJIZBQ-XVKPBYJWSA-N 0 0 385.136 2.631 20 5 GFBDRN Cc1nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)ncc1[N+](=O)[O-] ZINC000296697737 563297668 /nfs/dbraw/zinc/29/76/68/563297668.db2.gz DRQJXPLKCIDZSJ-UHFFFAOYSA-N 0 0 394.185 2.927 20 5 GFBDRN CCCN1C[C@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1=O ZINC000421603328 563315226 /nfs/dbraw/zinc/31/52/26/563315226.db2.gz DKYYTIONMLWCNS-NSHDSACASA-N 0 0 398.257 2.654 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000372747414 563316071 /nfs/dbraw/zinc/31/60/71/563316071.db2.gz LKMROLVTVKECCA-NSHDSACASA-N 0 0 386.195 2.531 20 5 GFBDRN CO[C@H]1COCC[C@@H]1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000297198793 563319636 /nfs/dbraw/zinc/31/96/36/563319636.db2.gz BAYDKPBGXVMEOS-YGRLFVJLSA-N 0 0 388.214 2.842 20 5 GFBDRN COC(=O)[C@@H]1CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000280058102 563321285 /nfs/dbraw/zinc/32/12/85/563321285.db2.gz YQJVYGUEDYDDHH-LDYMZIIASA-N 0 0 385.214 2.547 20 5 GFBDRN C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@@](=O)C1 ZINC000373066921 563327880 /nfs/dbraw/zinc/32/78/80/563327880.db2.gz XITCKXUHFGJVQY-SSINHNECSA-N 0 0 379.463 2.559 20 5 GFBDRN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[S@@]1=O ZINC000297581845 563329470 /nfs/dbraw/zinc/32/94/70/563329470.db2.gz INIDAFLHKPHKJQ-IJRMKIOGSA-N 0 0 379.360 2.988 20 5 GFBDRN CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297695052 563333108 /nfs/dbraw/zinc/33/31/08/563333108.db2.gz LUWJSAGVLPHETM-UHFFFAOYSA-N 0 0 382.360 2.557 20 5 GFBDRN C[C@@]1(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)NC(=O)NC1=O ZINC000373476990 563339604 /nfs/dbraw/zinc/33/96/04/563339604.db2.gz VMNVAHLHGMNDNE-HNNXBMFYSA-N 0 0 387.223 2.716 20 5 GFBDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000373710363 563347855 /nfs/dbraw/zinc/34/78/55/563347855.db2.gz YJLGHMUUZQQHKN-IUODEOHRSA-N 0 0 383.242 2.927 20 5 GFBDRN COCC1(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000298235672 563348441 /nfs/dbraw/zinc/34/84/41/563348441.db2.gz IEUXPVXVLFPOFO-UHFFFAOYSA-N 0 0 393.259 2.592 20 5 GFBDRN CCC1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280695471 563350483 /nfs/dbraw/zinc/35/04/83/563350483.db2.gz GNHKPMXXMLQZCG-UHFFFAOYSA-N 0 0 384.230 2.911 20 5 GFBDRN Cc1ccc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ncc2Br)o1 ZINC000373839743 563353562 /nfs/dbraw/zinc/35/35/62/563353562.db2.gz SMVJKUGEJQZZGW-LBPRGKRZSA-N 0 0 396.197 2.867 20 5 GFBDRN C[C@H](SCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000280879975 563359347 /nfs/dbraw/zinc/35/93/47/563359347.db2.gz DKCLYLGSMFPXGH-NSHDSACASA-N 0 0 375.468 2.832 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000280903521 563360064 /nfs/dbraw/zinc/36/00/64/563360064.db2.gz CJZOJFUOWHSDAH-CMPLNLGQSA-N 0 0 379.214 2.929 20 5 GFBDRN CC1(C)CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000281122576 563367081 /nfs/dbraw/zinc/36/70/81/563367081.db2.gz GRHNSKBOVWBHMX-MRXNPFEDSA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC(C2CC2)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281144762 563367830 /nfs/dbraw/zinc/36/78/30/563367830.db2.gz OZHQZCUVIVGXGC-UHFFFAOYSA-N 0 0 396.241 2.909 20 5 GFBDRN O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000424090904 563370012 /nfs/dbraw/zinc/37/00/12/563370012.db2.gz YLTOPQAQGYCDMW-UHFFFAOYSA-N 0 0 396.197 2.591 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN[C@H](c2ccncc2)C1 ZINC000374384302 563370621 /nfs/dbraw/zinc/37/06/21/563370621.db2.gz AVKKGIZTZXCLLK-HNNXBMFYSA-N 0 0 391.225 2.539 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000299130747 563376126 /nfs/dbraw/zinc/37/61/26/563376126.db2.gz CPANACUEIPTDIG-LLVKDONJSA-N 0 0 395.213 2.653 20 5 GFBDRN CCOC(=O)CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299210751 563377689 /nfs/dbraw/zinc/37/76/89/563377689.db2.gz NTVAKGLYROVOPB-UHFFFAOYSA-N 0 0 390.845 2.602 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](O)c2ccccc2C1 ZINC000374661230 563379165 /nfs/dbraw/zinc/37/91/65/563379165.db2.gz HJBPVLHGJXFRKM-OAHLLOKOSA-N 0 0 382.825 2.876 20 5 GFBDRN CCN(Cc1ccccc1Br)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000299318432 563381267 /nfs/dbraw/zinc/38/12/67/563381267.db2.gz DNPYJLDTZBHWSV-UHFFFAOYSA-N 0 0 381.230 2.911 20 5 GFBDRN Cc1oc(Br)cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000424669784 563386197 /nfs/dbraw/zinc/38/61/97/563386197.db2.gz DBQIXYFPYLVFCF-JTQLQIEISA-N 0 0 395.213 2.980 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299583989 563386471 /nfs/dbraw/zinc/38/64/71/563386471.db2.gz UDNOGSJCXDBQOY-UHFFFAOYSA-N 0 0 382.203 2.869 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375037496 563388685 /nfs/dbraw/zinc/38/86/85/563388685.db2.gz JIANOHVQJHGAGS-HNNXBMFYSA-N 0 0 382.189 2.989 20 5 GFBDRN Cc1n[nH]cc1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000375141083 563392226 /nfs/dbraw/zinc/39/22/26/563392226.db2.gz GLDRMZGSVCTPMB-UHFFFAOYSA-N 0 0 384.845 2.848 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nnc(-c2ccccc2Cl)o1 ZINC000301103733 563393206 /nfs/dbraw/zinc/39/32/06/563393206.db2.gz RBCPNHVBAFTJND-UHFFFAOYSA-N 0 0 377.769 2.943 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC(F)(F)C1 ZINC000282034050 563395265 /nfs/dbraw/zinc/39/52/65/563395265.db2.gz RPWCEWBSHKXQHA-JTQLQIEISA-N 0 0 379.385 2.624 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(F)(F)F ZINC000424951250 563398648 /nfs/dbraw/zinc/39/86/48/563398648.db2.gz QUDFWWLAWXMOLN-MRVPVSSYSA-N 0 0 380.344 2.931 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000375361545 563401173 /nfs/dbraw/zinc/40/11/73/563401173.db2.gz KVIPFGSPPOZTBX-SNVBAGLBSA-N 0 0 382.214 2.554 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375387465 563402751 /nfs/dbraw/zinc/40/27/51/563402751.db2.gz BOHBTOOZKKHOJH-MEDUHNTESA-N 0 0 383.857 2.514 20 5 GFBDRN Cc1nc(C)n(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)n1 ZINC000301552460 563406700 /nfs/dbraw/zinc/40/67/00/563406700.db2.gz RHTQBXXVURCIRY-LBPRGKRZSA-N 0 0 395.261 2.877 20 5 GFBDRN CNC(=O)c1cccc(CCNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301576005 563407168 /nfs/dbraw/zinc/40/71/68/563407168.db2.gz YSTAMNJISSQJCD-UHFFFAOYSA-N 0 0 379.214 2.767 20 5 GFBDRN CO[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000301648645 563409744 /nfs/dbraw/zinc/40/97/44/563409744.db2.gz FBWPQOQNULTBID-HNNXBMFYSA-N 0 0 385.829 2.695 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC([C@H](O)C(F)(F)F)CC2)c(Br)c1 ZINC000301718801 563411037 /nfs/dbraw/zinc/41/10/37/563411037.db2.gz OUQLFKCJFWVEAD-JTQLQIEISA-N 0 0 384.152 2.892 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H]2OCCC[C@H]2C1 ZINC000301722316 563410877 /nfs/dbraw/zinc/41/08/77/563410877.db2.gz NNFZAYYBWVFOEB-IINYFYTJSA-N 0 0 376.381 2.596 20 5 GFBDRN CCC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000301840170 563413249 /nfs/dbraw/zinc/41/32/49/563413249.db2.gz ORRZVCZQQGAMNY-JTQLQIEISA-N 0 0 382.360 2.894 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCOc2cc(O)ccc2C1 ZINC000375666974 563413693 /nfs/dbraw/zinc/41/36/93/563413693.db2.gz YCBDQUFNXSKNBH-UHFFFAOYSA-N 0 0 384.797 2.537 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2C2CCOCC2)s1 ZINC000425282179 563416335 /nfs/dbraw/zinc/41/63/35/563416335.db2.gz NBHLNPNCFJSWLO-AWEZNQCLSA-N 0 0 386.495 2.845 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000282587747 563416718 /nfs/dbraw/zinc/41/67/18/563416718.db2.gz PVMSOQNNPYYUCL-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN CC(C)(C)n1ncnc1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000282765822 563423472 /nfs/dbraw/zinc/42/34/72/563423472.db2.gz UNAIHPDZQBQDAS-UHFFFAOYSA-N 0 0 382.218 2.634 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1Cc2cccc(Br)c2C1 ZINC000302230260 563423883 /nfs/dbraw/zinc/42/38/83/563423883.db2.gz BUKPRWMSKFESGS-UHFFFAOYSA-N 0 0 398.238 2.525 20 5 GFBDRN O=c1c(Oc2ccc(I)cc2[N+](=O)[O-])nccn1C1CC1 ZINC000302521054 563426072 /nfs/dbraw/zinc/42/60/72/563426072.db2.gz YVLBKYNEIXCSLE-UHFFFAOYSA-N 0 0 399.144 2.883 20 5 GFBDRN CC[C@]1(C)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000302644499 563427858 /nfs/dbraw/zinc/42/78/58/563427858.db2.gz IVXJWINLWDCLGE-CYBMUJFWSA-N 0 0 382.360 2.894 20 5 GFBDRN CNS(=O)(=O)c1ccc(NCc2c(Cl)cccc2OC)c([N+](=O)[O-])c1 ZINC000302743451 563429172 /nfs/dbraw/zinc/42/91/72/563429172.db2.gz ZYZSBOIHJNTNJQ-UHFFFAOYSA-N 0 0 385.829 2.777 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425669189 563430692 /nfs/dbraw/zinc/43/06/92/563430692.db2.gz BHXPNISITPJUPN-GFCCVEGCSA-N 0 0 395.217 2.818 20 5 GFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4sc(Br)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000376156107 563432040 /nfs/dbraw/zinc/43/20/40/563432040.db2.gz GADBOQQPRMHCHB-HSGHIRBMSA-N 0 0 387.255 2.914 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2Br)c(F)c1 ZINC000314584258 563439573 /nfs/dbraw/zinc/43/95/73/563439573.db2.gz GMFRGKZWQWYXEB-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN CCCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000283275117 563440864 /nfs/dbraw/zinc/44/08/64/563440864.db2.gz BFZCGSJLIGXFFN-UHFFFAOYSA-N 0 0 386.246 2.606 20 5 GFBDRN CSCC[C@H](CO)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426280429 563448038 /nfs/dbraw/zinc/44/80/38/563448038.db2.gz LYGBELOQXGCPMR-LLVKDONJSA-N 0 0 381.376 2.527 20 5 GFBDRN COC(=O)C[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000322743362 563450226 /nfs/dbraw/zinc/45/02/26/563450226.db2.gz ZIMQHBYVZFADQZ-GFCCVEGCSA-N 0 0 385.214 2.915 20 5 GFBDRN COCCc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n(C)n1 ZINC000427220325 563462701 /nfs/dbraw/zinc/46/27/01/563462701.db2.gz SYXCKRGJUMXLON-UHFFFAOYSA-N 0 0 383.202 2.532 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[S@](=O)C(C)(C)C ZINC000284109603 563464185 /nfs/dbraw/zinc/46/41/85/563464185.db2.gz UWDCJDKGQNKNDD-QFIPXVFZSA-N 0 0 391.287 2.943 20 5 GFBDRN COC(=O)c1ncccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000427329450 563465191 /nfs/dbraw/zinc/46/51/91/563465191.db2.gz HIPHOLOLDVWVJZ-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000427597337 563470088 /nfs/dbraw/zinc/47/00/88/563470088.db2.gz TUUDSSUJAKRUTE-LLVKDONJSA-N 0 0 399.241 2.815 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428187476 563484614 /nfs/dbraw/zinc/48/46/14/563484614.db2.gz SSPURJATEQVZOT-SECBINFHSA-N 0 0 383.227 2.668 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3cc4n(n3)CCO4)n2)c(Br)c1 ZINC000377780246 563486427 /nfs/dbraw/zinc/48/64/27/563486427.db2.gz LZJHMFMHCZSPLB-UHFFFAOYSA-N 0 0 392.169 2.587 20 5 GFBDRN C[C@]12CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284768204 563489655 /nfs/dbraw/zinc/48/96/55/563489655.db2.gz VUZRZEMIIFCMBZ-KGLIPLIRSA-N 0 0 393.292 2.983 20 5 GFBDRN CCc1nn(C)c(NC[C@@H](CO)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000428663009 563498919 /nfs/dbraw/zinc/49/89/19/563498919.db2.gz DUDHWZYSYOAYNW-LBPRGKRZSA-N 0 0 397.273 2.916 20 5 GFBDRN CCc1nn(C)c(NC[C@H](CO)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000428682677 563499983 /nfs/dbraw/zinc/49/99/83/563499983.db2.gz QSTXDSGSJQBAGQ-LLVKDONJSA-N 0 0 397.273 2.916 20 5 GFBDRN COc1ccc(Br)c(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000429041576 563508737 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GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@@H](C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430325158 563541633 /nfs/dbraw/zinc/54/16/33/563541633.db2.gz ROMHJXOJZSWZIT-LLVKDONJSA-N 0 0 396.241 2.863 20 5 GFBDRN C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[S@]1=O ZINC000430361486 563542313 /nfs/dbraw/zinc/54/23/13/563542313.db2.gz ZNWKYDYKUNIKCV-JPQMIFPKSA-N 0 0 379.463 2.701 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CC(C)(C)c3c2cccc3Cl)c([N+](=O)[O-])n1 ZINC000331595233 563554392 /nfs/dbraw/zinc/55/43/92/563554392.db2.gz NRJHQHCVJAQHDZ-UHFFFAOYSA-N 0 0 384.845 2.951 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000331608515 563555207 /nfs/dbraw/zinc/55/52/07/563555207.db2.gz NITUAHHOXQXHOG-CYBMUJFWSA-N 0 0 384.845 2.990 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(Cc2ccco2)CC1 ZINC000431498447 563561618 /nfs/dbraw/zinc/56/16/18/563561618.db2.gz WKLYFBCOJXGMMJ-UHFFFAOYSA-N 0 0 394.225 2.908 20 5 GFBDRN CC(=O)NCCN(Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cn1 ZINC000409519929 563563698 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GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000332450216 563599644 /nfs/dbraw/zinc/59/96/44/563599644.db2.gz GZXWAKDACNFNDM-SNVBAGLBSA-N 0 0 376.862 2.728 20 5 GFBDRN CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000433359426 563610584 /nfs/dbraw/zinc/61/05/84/563610584.db2.gz IFJNYOXECBYSPL-UHFFFAOYSA-N 0 0 395.300 2.921 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000287788220 563618295 /nfs/dbraw/zinc/61/82/95/563618295.db2.gz ITYFZUPDGAYGPG-QRRAURDBSA-N 0 0 389.271 2.729 20 5 GFBDRN CCOC(=O)c1cc(C(=O)N(C)CC(F)(F)Br)cc([N+](=O)[O-])c1 ZINC000288435623 563642702 /nfs/dbraw/zinc/64/27/02/563642702.db2.gz YHNQSXPQQZBXSW-UHFFFAOYSA-N 0 0 395.156 2.831 20 5 GFBDRN CSCC[C@@H](CO)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435326901 563648059 /nfs/dbraw/zinc/64/80/59/563648059.db2.gz FFPZXWGBKWBXIE-JTQLQIEISA-N 0 0 392.275 2.901 20 5 GFBDRN CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000435625283 563654951 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2.678 20 5 GFBDRN COC(=O)c1ccc(N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)s1 ZINC000413337578 563689314 /nfs/dbraw/zinc/68/93/14/563689314.db2.gz LGWBBGOEBSFXSD-UHFFFAOYSA-N 0 0 382.829 2.818 20 5 GFBDRN CC(C)(CO)[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000289902293 563690827 /nfs/dbraw/zinc/69/08/27/563690827.db2.gz PSZUWCUAVHRSGS-OAHLLOKOSA-N 0 0 384.479 2.836 20 5 GFBDRN COc1ccc([C@@H](CO)CNc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000413436870 563692599 /nfs/dbraw/zinc/69/25/99/563692599.db2.gz JBZYIRYWMXHUAJ-LLVKDONJSA-N 0 0 382.214 2.949 20 5 GFBDRN CO[C@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290015659 563695231 /nfs/dbraw/zinc/69/52/31/563695231.db2.gz XVUHTEDIPGCNMS-CQSZACIVSA-N 0 0 380.825 2.967 20 5 GFBDRN CCC[C@]1(C)C(=O)NCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000438635202 563708743 /nfs/dbraw/zinc/70/87/43/563708743.db2.gz SSRIBDREKRCVLP-MRXNPFEDSA-N 0 0 385.873 2.858 20 5 GFBDRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290480712 563711467 /nfs/dbraw/zinc/71/14/67/563711467.db2.gz NSWFCONOAXMNIN-JOYOIKCWSA-N 0 0 384.230 2.991 20 5 GFBDRN CN(CCc1nccs1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290705658 563718622 /nfs/dbraw/zinc/71/86/22/563718622.db2.gz JBOLRCCWOHTMQG-UHFFFAOYSA-N 0 0 379.822 2.707 20 5 GFBDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000439224849 563719482 /nfs/dbraw/zinc/71/94/82/563719482.db2.gz QJTKOCMRYGGPNJ-NSHDSACASA-N 0 0 390.483 2.518 20 5 GFBDRN Cc1cnn(C2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000363531260 563725201 /nfs/dbraw/zinc/72/52/01/563725201.db2.gz SASXNEBHXIZHPS-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN Cc1cnn(C2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000363527578 563725241 /nfs/dbraw/zinc/72/52/41/563725241.db2.gz IECVEYFBGMFNDY-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN CO[C@@H](C)[C@@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000290982476 563728532 /nfs/dbraw/zinc/72/85/32/563728532.db2.gz PMIRRNPMQFKSDL-ZJUUUORDSA-N 0 0 386.246 2.848 20 5 GFBDRN COCC[C@H]1COCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000291395022 563741818 /nfs/dbraw/zinc/74/18/18/563741818.db2.gz UTLFSHHNLCMLAV-NSHDSACASA-N 0 0 388.218 2.627 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccsc2S1(=O)=O ZINC000291592667 563748570 /nfs/dbraw/zinc/74/85/70/563748570.db2.gz RCDIKHHXPXNASA-UFBFGSQYSA-N 0 0 384.410 2.832 20 5 GFBDRN O=C(CN1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441642829 563762892 /nfs/dbraw/zinc/76/28/92/563762892.db2.gz COAXVRRMOHNTDF-RYUDHWBXSA-N 0 0 398.257 2.654 20 5 GFBDRN CCCC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000364763401 563763297 /nfs/dbraw/zinc/76/32/97/563763297.db2.gz FCNYSDGFBYWUQM-UHFFFAOYSA-N 0 0 398.257 2.832 20 5 GFBDRN C[C@@H](c1ccc(Br)cc1)S(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291912728 563764740 /nfs/dbraw/zinc/76/47/40/563764740.db2.gz MIUFKJRFVGPRSX-JTQLQIEISA-N 0 0 388.243 2.730 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292151161 563776083 /nfs/dbraw/zinc/77/60/83/563776083.db2.gz INEKEOWSQLIIPH-MRXNPFEDSA-N 0 0 382.258 2.834 20 5 GFBDRN COC(=O)[C@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000365197607 563777204 /nfs/dbraw/zinc/77/72/04/563777204.db2.gz OHBQTQDZCHXHRZ-SSDOTTSWSA-N 0 0 391.243 2.690 20 5 GFBDRN CCOC1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000292353185 563783526 /nfs/dbraw/zinc/78/35/26/563783526.db2.gz PYLBVYMXHFCWFT-UHFFFAOYSA-N 0 0 380.825 2.967 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](O)C23CCCC3)c(Cl)cc1Cl ZINC000292452987 563786904 /nfs/dbraw/zinc/78/69/04/563786904.db2.gz AQQXZXOEQGFOSU-ZDUSSCGKSA-N 0 0 395.264 2.970 20 5 GFBDRN C[C@H]1OCC[C@]12CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C[C@@H](C)O2 ZINC000365766013 563793191 /nfs/dbraw/zinc/79/31/91/563793191.db2.gz OAZQLIDHDQERIF-UVWXRNBGSA-N 0 0 399.241 2.766 20 5 GFBDRN Cc1cccc(-c2noc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)n2)c1 ZINC000365986431 563796960 /nfs/dbraw/zinc/79/69/60/563796960.db2.gz XMQASYYUPBPHFM-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cc1csc(NC(=O)CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000443474759 563806150 /nfs/dbraw/zinc/80/61/50/563806150.db2.gz OWPDRJDCESSBSV-UHFFFAOYSA-N 0 0 380.451 2.979 20 5 GFBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@]2(CCCOC2)O1 ZINC000366490869 563810795 /nfs/dbraw/zinc/81/07/95/563810795.db2.gz RKBKVLKZZASVAV-ZBEGNZNMSA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000293817659 563824740 /nfs/dbraw/zinc/82/47/40/563824740.db2.gz FAKNRXMXEILVRV-NSHDSACASA-N 0 0 379.214 2.785 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000366999551 563827846 /nfs/dbraw/zinc/82/78/46/563827846.db2.gz WWDQLDOGNDPPAI-KYOSRNDESA-N 0 0 388.873 2.952 20 5 GFBDRN CCOc1ccc(C(=O)N2CCn3c(Br)cnc3C2)cc1[N+](=O)[O-] ZINC000367275078 563839378 /nfs/dbraw/zinc/83/93/78/563839378.db2.gz RNEQYSMCAILSRX-UHFFFAOYSA-N 0 0 395.213 2.609 20 5 GFBDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000367304201 563839713 /nfs/dbraw/zinc/83/97/13/563839713.db2.gz ATDLAWIJAACJAD-CQSZACIVSA-N 0 0 393.241 2.827 20 5 GFBDRN CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000416552692 563846798 /nfs/dbraw/zinc/84/67/98/563846798.db2.gz DCYAGRANUMWLCI-YPMHNXCESA-N 0 0 393.259 2.512 20 5 GFBDRN O=C(Cc1cc[nH]c(=O)c1Br)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445256342 563847273 /nfs/dbraw/zinc/84/72/73/563847273.db2.gz WDCFMJBPPMBCSL-UHFFFAOYSA-N 0 0 378.182 2.590 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000416551950 563847279 /nfs/dbraw/zinc/84/72/79/563847279.db2.gz BYIUSRRSJQGVBI-IUCAKERBSA-N 0 0 393.284 2.544 20 5 GFBDRN C[C@@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416594173 563851582 /nfs/dbraw/zinc/85/15/82/563851582.db2.gz WHNMJJBRJKRXGR-VIFPVBQESA-N 0 0 376.456 2.540 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416597925 563851804 /nfs/dbraw/zinc/85/18/04/563851804.db2.gz GLMQXWVTPMNNMI-OPRDCNLKSA-N 0 0 382.360 2.705 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000367671216 563851797 /nfs/dbraw/zinc/85/17/97/563851797.db2.gz UPRNQCMMIUPJSE-LSDHHAIUSA-N 0 0 399.241 2.686 20 5 GFBDRN C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601796 563852089 /nfs/dbraw/zinc/85/20/89/563852089.db2.gz WMHJTLFHCOYLFO-IONNQARKSA-N 0 0 381.273 2.530 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000416638209 563856664 /nfs/dbraw/zinc/85/66/64/563856664.db2.gz AITXLVTUPSCVPK-UHFFFAOYSA-N 0 0 386.817 2.638 20 5 GFBDRN Cc1csc2c1CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CC2 ZINC000367931927 563859800 /nfs/dbraw/zinc/85/98/00/563859800.db2.gz PTEYCVXKSUWACF-UHFFFAOYSA-N 0 0 380.447 2.567 20 5 GFBDRN COCCCCN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000416666988 563859858 /nfs/dbraw/zinc/85/98/58/563859858.db2.gz XRXRMYLXGUAVGB-UHFFFAOYSA-N 0 0 395.275 2.713 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)n1 ZINC000367951481 563860360 /nfs/dbraw/zinc/86/03/60/563860360.db2.gz KSCRNALCNMRDMP-UHFFFAOYSA-N 0 0 384.845 2.612 20 5 GFBDRN CSc1cccc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c1[N+](=O)[O-] ZINC000368412616 563870144 /nfs/dbraw/zinc/87/01/44/563870144.db2.gz SOIOJXQKBMIPSC-LBPRGKRZSA-N 0 0 378.431 2.575 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCSC2(CCOCC2)C1 ZINC000368813943 563879293 /nfs/dbraw/zinc/87/92/93/563879293.db2.gz MSHTXAGZUXGSGV-UHFFFAOYSA-N 0 0 392.886 2.535 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC1CCS(=O)(=O)CC1 ZINC000447809470 563887159 /nfs/dbraw/zinc/88/71/59/563887159.db2.gz ZGRVIWZQCLSDNA-UHFFFAOYSA-N 0 0 390.845 2.662 20 5 GFBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000447941360 563891798 /nfs/dbraw/zinc/89/17/98/563891798.db2.gz RBDOEOVWXHHRKP-CQSZACIVSA-N 0 0 388.511 2.744 20 5 GFBDRN CN(C)C(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000471216211 564189818 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CC[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000565389224 564278962 /nfs/dbraw/zinc/27/89/62/564278962.db2.gz BCBPMLZVRHOTND-ZDUSSCGKSA-N 0 0 376.194 2.810 20 5 GFBDRN C[C@@H](NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000509147116 564283723 /nfs/dbraw/zinc/28/37/23/564283723.db2.gz RMVOOTYPGNYDFG-LLVKDONJSA-N 0 0 382.825 2.899 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000541760825 564288161 /nfs/dbraw/zinc/28/81/61/564288161.db2.gz SVOCVVNOQUQQKM-AWEZNQCLSA-N 0 0 388.804 2.540 20 5 GFBDRN COC(=O)COc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000474789527 564289454 /nfs/dbraw/zinc/28/94/54/564289454.db2.gz FYFYXHFXIQEAFH-UHFFFAOYSA-N 0 0 396.197 2.916 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCSC[C@H]1CCO ZINC000475205197 564303204 /nfs/dbraw/zinc/30/32/04/564303204.db2.gz QXIMNDASZKJADJ-SNVBAGLBSA-N 0 0 379.360 2.945 20 5 GFBDRN Cc1csc2nc(C)nc(Oc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])c12 ZINC000475450821 564308923 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CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451653453 564336084 /nfs/dbraw/zinc/33/60/84/564336084.db2.gz MNVMHOPFJVSCGI-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN NC(=O)CSc1ccccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543126562 564339380 /nfs/dbraw/zinc/33/93/80/564339380.db2.gz BUZVLQSOPNEXFG-UHFFFAOYSA-N 0 0 377.447 2.903 20 5 GFBDRN COC(=O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476562724 564345309 /nfs/dbraw/zinc/34/53/09/564345309.db2.gz DEROFBMLVUNZDE-YMTOWFKASA-N 0 0 390.845 2.519 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC2CCC(CSC)CC2)cc1[N+](=O)[O-] ZINC000451736398 564345493 /nfs/dbraw/zinc/34/54/93/564345493.db2.gz FOEJTDCUXZHACY-UHFFFAOYSA-N 0 0 392.474 2.943 20 5 GFBDRN CC(=O)Nc1ccncc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543391102 564348734 /nfs/dbraw/zinc/34/87/34/564348734.db2.gz VVSABVWDWNNKKJ-UHFFFAOYSA-N 0 0 380.813 2.754 20 5 GFBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1CCOc2ncc(Br)cc21 ZINC000543562266 564354250 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376.356 2.962 20 5 GFBDRN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452943724 564438737 /nfs/dbraw/zinc/43/87/37/564438737.db2.gz RJLWGIYSQVMCJR-DZGCQCFKSA-N 0 0 383.242 2.884 20 5 GFBDRN CCCC(=O)N1CSC[C@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479451213 564440465 /nfs/dbraw/zinc/44/04/65/564440465.db2.gz VSECPANYVRZBSI-AWEZNQCLSA-N 0 0 385.873 2.609 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000453016292 564442858 /nfs/dbraw/zinc/44/28/58/564442858.db2.gz RXTLWJUGLOFOCB-LBPRGKRZSA-N 0 0 385.189 2.570 20 5 GFBDRN COC(=O)CN(CCc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])cn1 ZINC000546180339 564449122 /nfs/dbraw/zinc/44/91/22/564449122.db2.gz AVXHWVSIEAMALA-UHFFFAOYSA-N 0 0 385.207 2.914 20 5 GFBDRN CCC(=O)c1ccc(Sc2nnc(SCC(N)=O)s2)c([N+](=O)[O-])c1 ZINC000479874496 564452553 /nfs/dbraw/zinc/45/25/53/564452553.db2.gz PJXSEJWLRVQJOL-UHFFFAOYSA-N 0 0 384.464 2.768 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000479910632 564454498 /nfs/dbraw/zinc/45/44/98/564454498.db2.gz DDAIHCHXTAUNEO-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H](O)COCC1CC1 ZINC000480513733 564476799 /nfs/dbraw/zinc/47/67/99/564476799.db2.gz PKWHNRBHAASEJH-GFCCVEGCSA-N 0 0 396.241 2.527 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000480839413 564491021 /nfs/dbraw/zinc/49/10/21/564491021.db2.gz FCFOFBDTVPOIBW-UHFFFAOYSA-N 0 0 375.200 2.737 20 5 GFBDRN C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000516822751 564512238 /nfs/dbraw/zinc/51/22/38/564512238.db2.gz GAHPLKSFBPNDKY-VIFPVBQESA-N 0 0 398.188 2.536 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(Br)cnc1N ZINC000481477670 564513638 /nfs/dbraw/zinc/51/36/38/564513638.db2.gz AXOACFYJZPBDRS-UHFFFAOYSA-N 0 0 380.202 2.795 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000481897096 564526747 /nfs/dbraw/zinc/52/67/47/564526747.db2.gz RSHHETVADIPPIB-UHFFFAOYSA-N 0 0 382.764 2.892 20 5 GFBDRN Cc1cc(O)cc(=O)n1CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000517407191 564533197 /nfs/dbraw/zinc/53/31/97/564533197.db2.gz CWZNXRKZMDAXSF-UHFFFAOYSA-N 0 0 396.197 2.562 20 5 GFBDRN CC(C)N1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CC1=O ZINC000518899450 564564286 /nfs/dbraw/zinc/56/42/86/564564286.db2.gz XMCYRHDZORIAPZ-JTQLQIEISA-N 0 0 389.193 2.621 20 5 GFBDRN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000549014738 564583842 /nfs/dbraw/zinc/58/38/42/564583842.db2.gz JKPXWQUZFXLQEK-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1cnc(CCNc2ccc(I)cc2[N+](=O)[O-])nc1 ZINC000549141782 564587398 /nfs/dbraw/zinc/58/73/98/564587398.db2.gz AJCBNDRJULZIBS-UHFFFAOYSA-N 0 0 384.177 2.952 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2cccc(Cl)c2Cl)c1 ZINC000519766011 564590380 /nfs/dbraw/zinc/59/03/80/564590380.db2.gz GPRPFOSBLYULGS-UHFFFAOYSA-N 0 0 385.159 2.733 20 5 GFBDRN COC(=O)[C@H](C)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000484674780 564594612 /nfs/dbraw/zinc/59/46/12/564594612.db2.gz 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C[C@H](CN1CCCC1=O)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000521346563 564625002 /nfs/dbraw/zinc/62/50/02/564625002.db2.gz AIJNURBLKBXLIC-SNVBAGLBSA-N 0 0 393.241 2.750 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485761065 564625626 /nfs/dbraw/zinc/62/56/26/564625626.db2.gz VTRBNCSZADYKFN-APPZFPTMSA-N 0 0 391.243 2.833 20 5 GFBDRN Cn1c(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)ccc1[N+](=O)[O-] ZINC000521362898 564625912 /nfs/dbraw/zinc/62/59/12/564625912.db2.gz XSNLHPYDSOIZED-LLVKDONJSA-N 0 0 393.241 2.705 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456714046 564627046 /nfs/dbraw/zinc/62/70/46/564627046.db2.gz WJQVVIQIJZMBER-RDDDGLTNSA-N 0 0 397.147 2.743 20 5 GFBDRN O=c1ccn(Cc2nc(-c3cc(Br)ccc3F)no2)cc1[N+](=O)[O-] ZINC000551102197 564638180 /nfs/dbraw/zinc/63/81/80/564638180.db2.gz JFKUGAOLDWJWMG-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc2n(n1)CCCC2 ZINC000457115948 564648187 /nfs/dbraw/zinc/64/81/87/564648187.db2.gz DDAFZQBPTMFYKL-UHFFFAOYSA-N 0 0 380.202 2.846 20 5 GFBDRN CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000486415521 564651666 /nfs/dbraw/zinc/65/16/66/564651666.db2.gz JBEZKXPEFRAOGX-JSGCOSHPSA-N 0 0 386.495 2.745 20 5 GFBDRN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486563952 564656648 /nfs/dbraw/zinc/65/66/48/564656648.db2.gz JUGDIQRVHUVBIB-SNVBAGLBSA-N 0 0 395.213 2.794 20 5 GFBDRN C[C@@]1(CO)CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573885394 564657991 /nfs/dbraw/zinc/65/79/91/564657991.db2.gz RPDFRZXPQYOIDF-ZDUSSCGKSA-N 0 0 376.194 2.546 20 5 GFBDRN CC(C)(C)c1nnc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000458028709 564684610 /nfs/dbraw/zinc/68/46/10/564684610.db2.gz SZBRQGYKNFJPLS-UHFFFAOYSA-N 0 0 382.218 2.703 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000524867854 564688866 /nfs/dbraw/zinc/68/88/66/564688866.db2.gz XCNIVELSDUOIOW-YWPYICTPSA-N 0 0 386.495 2.547 20 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ZINC000576193709 564706686 /nfs/dbraw/zinc/70/66/86/564706686.db2.gz XWMNNFRERDVHLL-OCCSQVGLSA-N 0 0 381.479 2.908 20 5 GFBDRN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2cccnc21 ZINC000488259353 564708382 /nfs/dbraw/zinc/70/83/82/564708382.db2.gz ZMVCGXBFQPMJRK-UHFFFAOYSA-N 0 0 377.198 2.849 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2cc(Br)cnc21 ZINC000553155685 564711302 /nfs/dbraw/zinc/71/13/02/564711302.db2.gz UPGLJBYJXMIFNG-UHFFFAOYSA-N 0 0 376.170 2.741 20 5 GFBDRN C[C@H](c1ccc(Br)cc1)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000488490797 564711886 /nfs/dbraw/zinc/71/18/86/564711886.db2.gz FBQSPJWHLXEULY-GFCCVEGCSA-N 0 0 394.273 2.974 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000488703847 564717986 /nfs/dbraw/zinc/71/79/86/564717986.db2.gz WBQITRLBVXJMSH-LBPRGKRZSA-N 0 0 386.495 2.650 20 5 GFBDRN C[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766753 564720149 /nfs/dbraw/zinc/72/01/49/564720149.db2.gz XRWLZKSFBJKPPB-MWLCHTKSSA-N 0 0 393.259 2.593 20 5 GFBDRN CN(Cc1ccoc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488944206 564724660 /nfs/dbraw/zinc/72/46/60/564724660.db2.gz SELPGTVZMVHEQC-UHFFFAOYSA-N 0 0 375.200 2.771 20 5 GFBDRN C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000459548476 564750150 /nfs/dbraw/zinc/75/01/50/564750150.db2.gz AIAUHBJOIOQBMC-CLTRCRFRSA-N 0 0 390.259 2.590 20 5 GFBDRN CCc1n[nH]c(C(=O)NCc2cc(OC)ccc2Br)c1[N+](=O)[O-] ZINC000554074331 564750560 /nfs/dbraw/zinc/75/05/60/564750560.db2.gz TVULEONICZDXKS-UHFFFAOYSA-N 0 0 383.202 2.581 20 5 GFBDRN CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000554299166 564756597 /nfs/dbraw/zinc/75/65/97/564756597.db2.gz BUYHQTAWAHIOMV-HNNXBMFYSA-N 0 0 393.241 2.994 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000490576613 564777374 /nfs/dbraw/zinc/77/73/74/564777374.db2.gz CUXNSWNZNYWJPW-BDJLRTHQSA-N 0 0 382.463 2.946 20 5 GFBDRN Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555156043 564784520 /nfs/dbraw/zinc/78/45/20/564784520.db2.gz XITVMJOXEOQRLA-SNVBAGLBSA-N 0 0 381.376 2.758 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000555321853 564790147 /nfs/dbraw/zinc/79/01/47/564790147.db2.gz DSZVRYMPZPIAPP-LBPRGKRZSA-N 0 0 394.229 2.797 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000581175919 564791418 /nfs/dbraw/zinc/79/14/18/564791418.db2.gz HVBWRYHBABPCLO-OCCSQVGLSA-N 0 0 381.226 2.998 20 5 GFBDRN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491587022 564793742 /nfs/dbraw/zinc/79/37/42/564793742.db2.gz UBBCMSREGGPKFI-YPMHNXCESA-N 0 0 378.447 2.695 20 5 GFBDRN Cc1cc(N[C@H]2CCCN(S(C)(=O)=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779474 564804949 /nfs/dbraw/zinc/80/49/49/564804949.db2.gz KZYYEQFZUDBMHS-JTQLQIEISA-N 0 0 381.376 2.758 20 5 GFBDRN Nc1ncc(Br)cc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000555894166 564807702 /nfs/dbraw/zinc/80/77/02/564807702.db2.gz LPMJUOYGAHNEIB-UHFFFAOYSA-N 0 0 392.213 2.662 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000493889421 564812105 /nfs/dbraw/zinc/81/21/05/564812105.db2.gz VKDNAMKUFKURAM-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN COCCN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)cs1 ZINC000494046293 564816220 /nfs/dbraw/zinc/81/62/20/564816220.db2.gz FQONZKKSGDOZAW-UHFFFAOYSA-N 0 0 389.275 2.764 20 5 GFBDRN COC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462139338 564822893 /nfs/dbraw/zinc/82/28/93/564822893.db2.gz MXFAEWAZZURNEB-SECBINFHSA-N 0 0 383.253 2.949 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)Cc2cccc(F)c2)c(Cl)c1 ZINC000494426313 564829703 /nfs/dbraw/zinc/82/97/03/564829703.db2.gz PLWABPMQMQMVSL-UHFFFAOYSA-N 0 0 388.804 2.571 20 5 GFBDRN Cn1c(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000556570533 564831462 /nfs/dbraw/zinc/83/14/62/564831462.db2.gz CNHGBQUMQUUCIR-CQSZACIVSA-N 0 0 379.214 2.972 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CC ZINC000462573803 564849468 /nfs/dbraw/zinc/84/94/68/564849468.db2.gz BDAOUERSMORSEM-TVQRCGJNSA-N 0 0 378.834 2.504 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000557209735 564858444 /nfs/dbraw/zinc/85/84/44/564858444.db2.gz BSMXZPCHBGTKJW-HNNXBMFYSA-N 0 0 384.841 2.877 20 5 GFBDRN CN1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000462787420 564858785 /nfs/dbraw/zinc/85/87/85/564858785.db2.gz BPQUHIOQTSIUMZ-UHFFFAOYSA-N 0 0 380.198 2.849 20 5 GFBDRN Cc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c(F)cc1Br ZINC000497427756 564867186 /nfs/dbraw/zinc/86/71/86/564867186.db2.gz VAOHIWPVSDTFPT-UHFFFAOYSA-N 0 0 386.181 2.823 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)cc1C ZINC000497732219 564874581 /nfs/dbraw/zinc/87/45/81/564874581.db2.gz IQKBPOLNBGNEBK-AWEZNQCLSA-N 0 0 383.495 2.854 20 5 GFBDRN C[S@](=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc1 ZINC000497738134 564874865 /nfs/dbraw/zinc/87/48/65/564874865.db2.gz OQJSQGDEICVSML-VWLOTQADSA-N 0 0 380.447 2.669 20 5 GFBDRN COC(=O)[C@H](CCn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000583082976 564875381 /nfs/dbraw/zinc/87/53/81/564875381.db2.gz WCSZMYXIMPKPPY-CYBMUJFWSA-N 0 0 395.209 2.866 20 5 GFBDRN O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000557792588 564876916 /nfs/dbraw/zinc/87/69/16/564876916.db2.gz XPOQFGJBAPFIIH-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498044787 564886377 /nfs/dbraw/zinc/88/63/77/564886377.db2.gz HURHRTSJXVMAMD-LBPRGKRZSA-N 0 0 393.241 2.796 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Oc1ccccc1Br ZINC000531135748 564902670 /nfs/dbraw/zinc/90/26/70/564902670.db2.gz SXZGZGAQHKELIA-JTQLQIEISA-N 0 0 382.214 2.893 20 5 GFBDRN C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721905 564903981 /nfs/dbraw/zinc/90/39/81/564903981.db2.gz WKIZEILCQAMAQE-JTQLQIEISA-N 0 0 376.194 2.810 20 5 GFBDRN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000583721906 564904500 /nfs/dbraw/zinc/90/45/00/564904500.db2.gz WKIZEILCQAMAQE-SNVBAGLBSA-N 0 0 376.194 2.810 20 5 GFBDRN C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000558582897 564907767 /nfs/dbraw/zinc/90/77/67/564907767.db2.gz GAHPLKSFBPNDKY-SECBINFHSA-N 0 0 398.188 2.536 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000558781074 564914292 /nfs/dbraw/zinc/91/42/92/564914292.db2.gz NGGUWLSMLBXVGL-LLVKDONJSA-N 0 0 395.300 2.838 20 5 GFBDRN COc1cc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1Cl ZINC000558978316 564919773 /nfs/dbraw/zinc/91/97/73/564919773.db2.gz SCHLDENLPDDMSO-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN CN(Cc1nnc2n1CCCCC2)c1ncc(Br)cc1[N+](=O)[O-] ZINC000531882055 564923160 /nfs/dbraw/zinc/92/31/60/564923160.db2.gz RHFYFIBIXLZTEJ-UHFFFAOYSA-N 0 0 381.234 2.707 20 5 GFBDRN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000532398885 564936753 /nfs/dbraw/zinc/93/67/53/564936753.db2.gz DDGHWMKJCFSMET-UHFFFAOYSA-N 0 0 389.169 2.790 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](OCc2ccccn2)C1 ZINC000559938439 564942425 /nfs/dbraw/zinc/94/24/25/564942425.db2.gz ASJTVORJHUAMKG-CYBMUJFWSA-N 0 0 379.214 2.943 20 5 GFBDRN COC[C@@H]1CCCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000466553414 564943600 /nfs/dbraw/zinc/94/36/00/564943600.db2.gz RWCSVIAXWLWOEP-GFCCVEGCSA-N 0 0 376.862 2.994 20 5 GFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560078183 564948557 /nfs/dbraw/zinc/94/85/57/564948557.db2.gz ODXFIBSROQAATL-GFCCVEGCSA-N 0 0 383.447 2.674 20 5 GFBDRN CC(C)(C(=O)N1CCc2cc(Br)ccc21)n1cc([N+](=O)[O-])cn1 ZINC000532939257 564950010 /nfs/dbraw/zinc/95/00/10/564950010.db2.gz IKMXKVPQJJMGCR-UHFFFAOYSA-N 0 0 379.214 2.878 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467421158 564963359 /nfs/dbraw/zinc/96/33/59/564963359.db2.gz WGHBCTKAGDOZSW-UHFFFAOYSA-N 0 0 378.472 2.707 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(O)c3Br)CC2)cn1 ZINC000560576390 564968230 /nfs/dbraw/zinc/96/82/30/564968230.db2.gz WCUYTCRKAYARDX-UHFFFAOYSA-N 0 0 393.241 2.780 20 5 GFBDRN CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533635429 564969121 /nfs/dbraw/zinc/96/91/21/564969121.db2.gz DAMRBANSTMQEEP-ZDUSSCGKSA-N 0 0 386.861 2.764 20 5 GFBDRN NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501081930 564969930 /nfs/dbraw/zinc/96/99/30/564969930.db2.gz BMZLSLJOYYOJFR-SCZZXKLOSA-N 0 0 385.218 2.523 20 5 GFBDRN CSC[C@](C)(O)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501119968 564971482 /nfs/dbraw/zinc/97/14/82/564971482.db2.gz NEWGBLLWYDYHGG-GFCCVEGCSA-N 0 0 378.248 2.593 20 5 GFBDRN Cc1c(C(=O)Nc2ccncc2I)cccc1[N+](=O)[O-] ZINC000501254856 564974481 /nfs/dbraw/zinc/97/44/81/564974481.db2.gz UNGWDASSJVFKEG-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN COC(=O)CSCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501289937 564975913 /nfs/dbraw/zinc/97/59/13/564975913.db2.gz DTQPTUUBQLGCOA-UHFFFAOYSA-N 0 0 377.216 2.592 20 5 GFBDRN Cn1cnc2cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cnc21 ZINC000501320228 564976585 /nfs/dbraw/zinc/97/65/85/564976585.db2.gz ZHKCKPDRQGJHDP-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c[nH]cc(Br)c1=O ZINC000534115546 564980156 /nfs/dbraw/zinc/98/01/56/564980156.db2.gz GYFCYYBTIQUZDZ-UHFFFAOYSA-N 0 0 395.213 2.876 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000534411428 564988333 /nfs/dbraw/zinc/98/83/33/564988333.db2.gz RSOWFEBZIKOWPA-VXGBXAGGSA-N 0 0 393.259 2.593 20 5 GFBDRN COCCN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502097422 564991571 /nfs/dbraw/zinc/99/15/71/564991571.db2.gz KGYXZTPHZNIMBH-UHFFFAOYSA-N 0 0 395.257 2.674 20 5 GFBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCn1cc(Br)cn1 ZINC000561346212 564992242 /nfs/dbraw/zinc/99/22/42/564992242.db2.gz KQORRIFRLQFHIL-UHFFFAOYSA-N 0 0 396.245 2.562 20 5 GFBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000561359910 564993239 /nfs/dbraw/zinc/99/32/39/564993239.db2.gz MUCJVTXYQQPOHR-LLVKDONJSA-N 0 0 385.442 2.918 20 5 GFBDRN Cc1cc(=O)[nH]cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468828686 564995351 /nfs/dbraw/zinc/99/53/51/564995351.db2.gz DJVLAPIETFVRLN-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1cccc(Br)c1 ZINC000502352340 564996613 /nfs/dbraw/zinc/99/66/13/564996613.db2.gz LWVMLTJCLDHIAG-SNVBAGLBSA-N 0 0 392.213 2.701 20 5 GFBDRN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000561523098 564999018 /nfs/dbraw/zinc/99/90/18/564999018.db2.gz WOIGPDSXFRYMEB-HNNXBMFYSA-N 0 0 393.241 2.994 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC(F)(F)F ZINC000534950848 565000531 /nfs/dbraw/zinc/00/05/31/565000531.db2.gz BQTKEAGLMCVTOC-UHFFFAOYSA-N 0 0 380.344 2.932 20 5 GFBDRN COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000469141491 565006936 /nfs/dbraw/zinc/00/69/36/565006936.db2.gz YPAJZBFWQYLXJQ-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)c1cccs1 ZINC000469221998 565010165 /nfs/dbraw/zinc/01/01/65/565010165.db2.gz MRBMVOIIJPAHAL-UHFFFAOYSA-N 0 0 384.435 2.657 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535915498 565024307 /nfs/dbraw/zinc/02/43/07/565024307.db2.gz SABGTYMTDUTOMF-UHFFFAOYSA-N 0 0 387.820 2.919 20 5 GFBDRN CC[NH+]1CCC(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000562400548 565027513 /nfs/dbraw/zinc/02/75/13/565027513.db2.gz LYDQLDBHQJKHMA-UHFFFAOYSA-N 0 0 396.296 2.912 20 5 GFBDRN Cn1nc(C(F)(F)F)cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000562534774 565032119 /nfs/dbraw/zinc/03/21/19/565032119.db2.gz RPDPWOXFTPIJKN-UHFFFAOYSA-N 0 0 376.722 2.973 20 5 GFBDRN O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000504942454 565047154 /nfs/dbraw/zinc/04/71/54/565047154.db2.gz JLKZQOIPZURAHT-UHFFFAOYSA-N 0 0 392.209 2.517 20 5 GFBDRN C[C@H](CCO)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000537182234 565054636 /nfs/dbraw/zinc/05/46/36/565054636.db2.gz DPHCVCXCGXMYLS-LLVKDONJSA-N 0 0 376.862 2.715 20 5 GFBDRN O=C(NCCOC[C@H]1CCOC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585808181 565111443 /nfs/dbraw/zinc/11/14/43/565111443.db2.gz UKANGLKODTXACF-JTQLQIEISA-N 0 0 388.218 2.532 20 5 GFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000586772588 565115806 /nfs/dbraw/zinc/11/58/06/565115806.db2.gz OAKUSJITFFEYPC-HQJQHLMTSA-N 0 0 388.751 2.589 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCc3cncn3C2)cc1[N+](=O)[O-] ZINC000587062663 565120591 /nfs/dbraw/zinc/12/05/91/565120591.db2.gz WHAFBEGQMFBYJB-NSHDSACASA-N 0 0 379.214 2.607 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000614573497 565121161 /nfs/dbraw/zinc/12/11/61/565121161.db2.gz UWDAFXHBOURCNR-NOZJJQNGSA-N 0 0 375.244 2.920 20 5 GFBDRN Nc1cc(N2CCc3cccc(Br)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000587981470 565122502 /nfs/dbraw/zinc/12/25/02/565122502.db2.gz OLDUVLZKQOJQKM-UHFFFAOYSA-N 0 0 378.226 2.995 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC1(F)CCC1 ZINC000588138996 565128151 /nfs/dbraw/zinc/12/81/51/565128151.db2.gz JGCMQJUIUOSRRZ-UHFFFAOYSA-N 0 0 381.223 2.918 20 5 GFBDRN C[C@@H]1COCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589256884 565157082 /nfs/dbraw/zinc/15/70/82/565157082.db2.gz UUEBIBYUEYQNJG-SNVBAGLBSA-N 0 0 376.194 2.810 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000589531745 565165617 /nfs/dbraw/zinc/16/56/17/565165617.db2.gz HXSGUTIGEJHNCA-UHFFFAOYSA-N 0 0 392.213 2.807 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615882343 565179323 /nfs/dbraw/zinc/17/93/23/565179323.db2.gz CHYANOHCJXAAKC-UHFFFAOYSA-N 0 0 385.605 2.797 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nnnn1C1CCOCC1 ZINC000617835675 565262896 /nfs/dbraw/zinc/26/28/96/565262896.db2.gz XVYIRFFUVBFIKU-UHFFFAOYSA-N 0 0 398.217 2.583 20 5 GFBDRN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)CC(F)F ZINC000592672983 565288369 /nfs/dbraw/zinc/28/83/69/565288369.db2.gz RHDPTNPHJNJMLX-VHSXEESVSA-N 0 0 375.397 2.668 20 5 GFBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)CC[C@@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000618701640 565312087 /nfs/dbraw/zinc/31/20/87/565312087.db2.gz KPHMCNJWFNQMBO-ZDUSSCGKSA-N 0 0 382.360 2.602 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(Cn2cnnc2)CC1 ZINC000593303247 565325418 /nfs/dbraw/zinc/32/54/18/565325418.db2.gz QLQLTTBAPJYSCT-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN CS(=O)(=O)c1ccc(N2CCC3(CC2)C(F)(F)C3(F)F)c([N+](=O)[O-])c1 ZINC000593488103 565336373 /nfs/dbraw/zinc/33/63/73/565336373.db2.gz DXGFRXKOOWMSAO-UHFFFAOYSA-N 0 0 382.335 2.869 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1nc(C(F)(F)F)cs1 ZINC000619486104 565343492 /nfs/dbraw/zinc/34/34/92/565343492.db2.gz OACVIJHNMBOJGA-UHFFFAOYSA-N 0 0 397.356 2.557 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000619499020 565345081 /nfs/dbraw/zinc/34/50/81/565345081.db2.gz APKTZDGMTSHWIG-LLVKDONJSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1occc1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000619532388 565347262 /nfs/dbraw/zinc/34/72/62/565347262.db2.gz BPIFRKAGGHLKJC-UHFFFAOYSA-N 0 0 396.197 2.822 20 5 GFBDRN Cc1c(NC(=O)N2CCc3c[nH]nc3C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541249 565348064 /nfs/dbraw/zinc/34/80/64/565348064.db2.gz PUODCPWAONJNBB-UHFFFAOYSA-N 0 0 380.202 2.979 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593626964 565349496 /nfs/dbraw/zinc/34/94/96/565349496.db2.gz OALXPHCUMMUQNG-UHFFFAOYSA-N 0 0 382.335 2.791 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@@H]1c1cccnc1 ZINC000619581206 565350046 /nfs/dbraw/zinc/35/00/46/565350046.db2.gz YKPONJJWVNLPPL-HIFRSBDPSA-N 0 0 376.210 2.967 20 5 GFBDRN Cc1sc(S(=O)(=O)NC2(CC(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000593633963 565350730 /nfs/dbraw/zinc/35/07/30/565350730.db2.gz UABXRYFOTTZOCX-UHFFFAOYSA-N 0 0 390.483 2.898 20 5 GFBDRN C[C@H](CO)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593830040 565362885 /nfs/dbraw/zinc/36/28/85/565362885.db2.gz JVIDDWFURHQNTK-LLVKDONJSA-N 0 0 385.258 2.767 20 5 GFBDRN CCC(C)(C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594475026 565392563 /nfs/dbraw/zinc/39/25/63/565392563.db2.gz NIMBQTOFLPCGNW-UHFFFAOYSA-N 0 0 375.878 2.743 20 5 GFBDRN CCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594790877 565421619 /nfs/dbraw/zinc/42/16/19/565421619.db2.gz AAVLENSHKIAIHZ-SNVBAGLBSA-N 0 0 392.861 2.989 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000594805687 565422705 /nfs/dbraw/zinc/42/27/05/565422705.db2.gz UXBXTKZCUJTIPT-NOZJJQNGSA-N 0 0 375.244 2.887 20 5 GFBDRN C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000594855817 565430590 /nfs/dbraw/zinc/43/05/90/565430590.db2.gz HAZNRCKWJBYPHP-ISVAXAHUSA-N 0 0 381.237 2.559 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000594871378 565433956 /nfs/dbraw/zinc/43/39/56/565433956.db2.gz ZMLGFPLCHMSFML-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1noc(CN(CCO)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000595304956 565461020 /nfs/dbraw/zinc/46/10/20/565461020.db2.gz DYPGFRYOJFNJRO-UHFFFAOYSA-N 0 0 388.193 2.787 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595377842 565470453 /nfs/dbraw/zinc/47/04/53/565470453.db2.gz NPFNMSIPSBKZIX-SDBXPKJASA-N 0 0 383.253 2.541 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000595402320 565475237 /nfs/dbraw/zinc/47/52/37/565475237.db2.gz WKQOPDLSBVFTEM-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@](C)(C(F)F)O1 ZINC000595414348 565475844 /nfs/dbraw/zinc/47/58/44/565475844.db2.gz BYGPBBKXSTWCIS-OQPBUACISA-N 0 0 384.788 2.681 20 5 GFBDRN O=[N+]([O-])c1cnn(CCN2CCOC[C@H]2c2cccc(Br)c2)c1 ZINC000595761250 565490727 /nfs/dbraw/zinc/49/07/27/565490727.db2.gz LXCUFZJRTLUIJZ-HNNXBMFYSA-N 0 0 381.230 2.627 20 5 GFBDRN NS(=O)(=O)c1cc2c(s1)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595884198 565496323 /nfs/dbraw/zinc/49/63/23/565496323.db2.gz IIBWTXVCVFUWAQ-UHFFFAOYSA-N 0 0 387.870 2.515 20 5 GFBDRN CC[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000596243019 565516935 /nfs/dbraw/zinc/51/69/35/565516935.db2.gz JDDNHNYCYCSHOA-UWVGGRQHSA-N 0 0 377.260 2.759 20 5 GFBDRN CNC(=O)[C@@]1(C(F)(F)F)CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596291408 565518702 /nfs/dbraw/zinc/51/87/02/565518702.db2.gz IPTPTGBQEVSOAX-GFCCVEGCSA-N 0 0 396.163 2.862 20 5 GFBDRN CO[C@@]1(CO)CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000596430478 565523783 /nfs/dbraw/zinc/52/37/83/565523783.db2.gz TWSPJTRFJVTKBN-INIZCTEOSA-N 0 0 396.241 2.883 20 5 GFBDRN CN(C[C@@H]1COCCO1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000596457712 565524988 /nfs/dbraw/zinc/52/49/88/565524988.db2.gz FUFGAFSULGMKDS-LLVKDONJSA-N 0 0 382.214 2.757 20 5 GFBDRN COC[C@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)OC ZINC000596888807 565540054 /nfs/dbraw/zinc/54/00/54/565540054.db2.gz SWXRPRLXFIOIIC-NSHDSACASA-N 0 0 390.234 2.839 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)cncc3Br)CC2)cn1 ZINC000596980277 565544220 /nfs/dbraw/zinc/54/42/20/565544220.db2.gz YTCVTZPEAWTNGZ-UHFFFAOYSA-N 0 0 396.220 2.609 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000597579589 565565285 /nfs/dbraw/zinc/56/52/85/565565285.db2.gz MVPCHQKTPDMXRT-KBPBESRZSA-N 0 0 386.221 2.616 20 5 GFBDRN Cc1c(NC(=O)c2cnc3n2CCOC3)cc(Br)cc1[N+](=O)[O-] ZINC000597608279 565567152 /nfs/dbraw/zinc/56/71/52/565567152.db2.gz AHBWCPXQEXBGAZ-UHFFFAOYSA-N 0 0 381.186 2.645 20 5 GFBDRN C[C@@]1(C2CC2)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000597920841 565581688 /nfs/dbraw/zinc/58/16/88/565581688.db2.gz CRLZHHFZYPRWSK-INIZCTEOSA-N 0 0 383.242 2.927 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000597932399 565583030 /nfs/dbraw/zinc/58/30/30/565583030.db2.gz GAASYQSFVGXDIY-HQJQHLMTSA-N 0 0 380.202 2.693 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000598191788 565600822 /nfs/dbraw/zinc/60/08/22/565600822.db2.gz SMCUWEAMIREGHW-GFCCVEGCSA-N 0 0 387.223 2.924 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000598191789 565600932 /nfs/dbraw/zinc/60/09/32/565600932.db2.gz SMCUWEAMIREGHW-LBPRGKRZSA-N 0 0 387.223 2.924 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598207955 565602435 /nfs/dbraw/zinc/60/24/35/565602435.db2.gz BVQAVHCURMMIME-UHFFFAOYSA-N 0 0 393.241 2.693 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000598597795 565628936 /nfs/dbraw/zinc/62/89/36/565628936.db2.gz IMMAHVNNMITRMD-CYBMUJFWSA-N 0 0 383.495 2.854 20 5 GFBDRN CN(C(=O)c1nn(C(C)(C)C)cc1Br)c1ccc([N+](=O)[O-])nc1 ZINC000598832412 565644344 /nfs/dbraw/zinc/64/43/44/565644344.db2.gz WVIFFZOQOUXSRW-UHFFFAOYSA-N 0 0 382.218 2.980 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000599107571 565656877 /nfs/dbraw/zinc/65/68/77/565656877.db2.gz OQFFLGNXMGZZOY-LBPRGKRZSA-N 0 0 396.245 2.935 20 5 GFBDRN Cc1cc(N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c([N+](=O)[O-])s1 ZINC000599120078 565657624 /nfs/dbraw/zinc/65/76/24/565657624.db2.gz PVPZJWMURZNYDP-OAHLLOKOSA-N 0 0 382.463 2.946 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599174271 565659907 /nfs/dbraw/zinc/65/99/07/565659907.db2.gz SFBVHPXLEMPYBO-ZJUUUORDSA-N 0 0 375.244 2.513 20 5 GFBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461922 565681401 /nfs/dbraw/zinc/68/14/01/565681401.db2.gz XNQYRDKHUCPASB-YDEXJTGXSA-N 0 0 382.360 2.704 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599708623 565697519 /nfs/dbraw/zinc/69/75/19/565697519.db2.gz HFGQZZIVRLACSX-LLVKDONJSA-N 0 0 391.225 2.761 20 5 GFBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599724838 565698437 /nfs/dbraw/zinc/69/84/37/565698437.db2.gz YREHSEIHOWYZEJ-SNVBAGLBSA-N 0 0 379.214 2.721 20 5 GFBDRN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599764536 565700283 /nfs/dbraw/zinc/70/02/83/565700283.db2.gz GPNWLDUQBZBMHO-ZETCQYMHSA-N 0 0 399.119 2.581 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600512077 565733930 /nfs/dbraw/zinc/73/39/30/565733930.db2.gz HUVLRPKGFLNQII-BLLLJJGKSA-N 0 0 383.242 2.521 20 5 GFBDRN CSc1ccc(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000600749962 565748105 /nfs/dbraw/zinc/74/81/05/565748105.db2.gz ZYHAMQJOZLXWSY-LLVKDONJSA-N 0 0 387.259 2.749 20 5 GFBDRN COC[C@]1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCO1 ZINC000600809301 565750085 /nfs/dbraw/zinc/75/00/85/565750085.db2.gz OOHQMOSENDAMJT-HNNXBMFYSA-N 0 0 387.230 2.543 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](n1cncn1)C(F)(F)F ZINC000601219263 565772059 /nfs/dbraw/zinc/77/20/59/565772059.db2.gz FUUJWJBJNAGJLX-QMMMGPOBSA-N 0 0 381.112 2.559 20 5 GFBDRN CC1CC(n2nnc3c2CN(c2c(Br)cncc2[N+](=O)[O-])CC3)C1 ZINC000601233090 565772319 /nfs/dbraw/zinc/77/23/19/565772319.db2.gz XWPDOVUOSBJYCZ-UHFFFAOYSA-N 0 0 393.245 2.878 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])s1 ZINC000601333471 565776209 /nfs/dbraw/zinc/77/62/09/565776209.db2.gz SXLDMDWEEOGSFW-AWEZNQCLSA-N 0 0 382.463 2.899 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)c([N+](=O)[O-])s1 ZINC000601397993 565781474 /nfs/dbraw/zinc/78/14/74/565781474.db2.gz ZFHFXCYOHHGHRB-SECBINFHSA-N 0 0 391.521 2.900 20 5 GFBDRN CC(=O)NC[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430164 565847242 /nfs/dbraw/zinc/84/72/42/565847242.db2.gz IUCOVDWYOVERKK-JTQLQIEISA-N 0 0 376.276 2.767 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602682638 565861871 /nfs/dbraw/zinc/86/18/71/565861871.db2.gz NJGWEEKHOQMADW-VIFPVBQESA-N 0 0 397.316 2.818 20 5 GFBDRN COc1ccc(Cn2nnc(-c3ccc(Br)o3)n2)cc1[N+](=O)[O-] ZINC000603677805 565914549 /nfs/dbraw/zinc/91/45/49/565914549.db2.gz BKXLSMGMMHIHTC-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN NS(=O)(=O)c1c(NCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000603928977 565919182 /nfs/dbraw/zinc/91/91/82/565919182.db2.gz KRHWWVCYYOFIGB-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN CC(C)N(Cc1ccc(Br)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000603956926 565920907 /nfs/dbraw/zinc/92/09/07/565920907.db2.gz QWYOXAUBLCMHQQ-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC000604070609 565923545 /nfs/dbraw/zinc/92/35/45/565923545.db2.gz ZLOLSLXVOWARGM-LBPRGKRZSA-N 0 0 396.197 2.720 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(CCNc2cccnc2[N+](=O)[O-])s1 ZINC000609150172 566030994 /nfs/dbraw/zinc/03/09/94/566030994.db2.gz RYQNHESZXNWVGC-UHFFFAOYSA-N 0 0 384.483 2.736 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610086934 566065705 /nfs/dbraw/zinc/06/57/05/566065705.db2.gz GNXBBMBODWIKQI-LLVKDONJSA-N 0 0 388.751 2.508 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000610261290 566072571 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655827002 /nfs/dbraw/zinc/82/70/02/655827002.db2.gz VKOIPCYLIZYNCP-OAHLLOKOSA-N 0 0 384.841 2.877 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000751478927 655829509 /nfs/dbraw/zinc/82/95/09/655829509.db2.gz JCZDWJCJTQQOKB-HUUCEWRRSA-N 0 0 376.862 2.776 20 5 GFBDRN NC(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)cc1 ZINC000751690658 655832722 /nfs/dbraw/zinc/83/27/22/655832722.db2.gz CMLVGXYNSMTRPW-UHFFFAOYSA-N 0 0 397.156 2.952 20 5 GFBDRN O=C(OC[C@@H]1CC1(Cl)Cl)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000751728179 655833524 /nfs/dbraw/zinc/83/35/24/655833524.db2.gz KVRGJEBHVKNVCG-LURJTMIESA-N 0 0 393.135 2.625 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000752233989 655841144 /nfs/dbraw/zinc/84/11/44/655841144.db2.gz BGDBZIHABGGVQV-GFCCVEGCSA-N 0 0 382.825 2.839 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000752248831 655841393 /nfs/dbraw/zinc/84/13/93/655841393.db2.gz 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ZINC000754634175 655870588 /nfs/dbraw/zinc/87/05/88/655870588.db2.gz ABZUKNQHCPKDAQ-UHFFFAOYSA-N 0 0 398.192 2.518 20 5 GFBDRN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)NC(C)(C)C ZINC000754637642 655870733 /nfs/dbraw/zinc/87/07/33/655870733.db2.gz WJPBNOZDPQJMSA-SSDOTTSWSA-N 0 0 390.209 2.529 20 5 GFBDRN NS(=O)(=O)c1cccc2c1CCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754661289 655870936 /nfs/dbraw/zinc/87/09/36/655870936.db2.gz XZWPGRTVUDWAQG-UHFFFAOYSA-N 0 0 381.841 2.848 20 5 GFBDRN CCOC(=O)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754967205 655877396 /nfs/dbraw/zinc/87/73/96/655877396.db2.gz KWXLCDCKTCTJOV-UHFFFAOYSA-N 0 0 377.166 2.522 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCSC[C@@H]1CCO ZINC000755036535 655878860 /nfs/dbraw/zinc/87/88/60/655878860.db2.gz ZKUVLQJGOGMVAX-JTQLQIEISA-N 0 0 390.259 2.689 20 5 GFBDRN CCOc1cc(COC(=O)c2csc(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000755548840 655885602 /nfs/dbraw/zinc/88/56/02/655885602.db2.gz IWDCYMOZAXYJFD-UHFFFAOYSA-N 0 0 385.419 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ZINC000815056716 660108023 /nfs/dbraw/zinc/10/80/23/660108023.db2.gz XVICITDZXRANPH-UHFFFAOYSA-N 0 0 389.769 2.958 20 5 GFBDRN Cc1ccnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000815072604 660109432 /nfs/dbraw/zinc/10/94/32/660109432.db2.gz PDKHBNFVZAAOSN-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1c(F)cc(F)cc1F ZINC000815077081 660109992 /nfs/dbraw/zinc/10/99/92/660109992.db2.gz XOUKYSZSHHWIAX-UHFFFAOYSA-N 0 0 378.303 2.938 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000815094451 660111475 /nfs/dbraw/zinc/11/14/75/660111475.db2.gz BOVKPCXPWLJMPT-INIZCTEOSA-N 0 0 390.889 2.976 20 5 GFBDRN CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCO1 ZINC000815110187 660112874 /nfs/dbraw/zinc/11/28/74/660112874.db2.gz GGYJEJGAYYLIRF-ZDUSSCGKSA-N 0 0 380.825 2.823 20 5 GFBDRN CNc1nccc(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000816928622 660173334 /nfs/dbraw/zinc/17/33/34/660173334.db2.gz 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O=C(COC(=O)C1SCCCS1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842125160 661323972 /nfs/dbraw/zinc/32/39/72/661323972.db2.gz LDGWJIMYCQPMLI-UHFFFAOYSA-N 0 0 376.843 2.926 20 5 GFBDRN COc1ncncc1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000843407794 661380132 /nfs/dbraw/zinc/38/01/32/661380132.db2.gz KINRIGSOGNCPDK-UHFFFAOYSA-N 0 0 379.214 2.714 20 5 GFBDRN CC(C)(C(=O)Nc1cc(Cl)cnc1Br)n1cc([N+](=O)[O-])cn1 ZINC000843591738 661386592 /nfs/dbraw/zinc/38/65/92/661386592.db2.gz CZSZYSQHBUKTHL-UHFFFAOYSA-N 0 0 388.609 2.976 20 5 GFBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1SC ZINC000843710088 661389927 /nfs/dbraw/zinc/38/99/27/661389927.db2.gz CABKXXDZODUDRE-XWIASGKRSA-N 0 0 389.271 2.996 20 5 GFBDRN C[C@H]1SCC[C@@H]1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000843741189 661391167 /nfs/dbraw/zinc/39/11/67/661391167.db2.gz CLJLWRNWMOVCOG-KOLCDFICSA-N 0 0 388.287 2.804 20 5 GFBDRN CC(C)(CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000844041506 661401454 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GFBDRN COc1cc(S(=O)(=O)NCCC[C@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000846022395 661523710 /nfs/dbraw/zinc/52/37/10/661523710.db2.gz PPIQZJXFKAKARC-VIFPVBQESA-N 0 0 383.253 2.856 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)cc1Br ZINC000846043749 661526657 /nfs/dbraw/zinc/52/66/57/661526657.db2.gz BTSFFUBOSMDADA-NSHDSACASA-N 0 0 397.197 2.777 20 5 GFBDRN Cc1cc(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)on1 ZINC000846099799 661532662 /nfs/dbraw/zinc/53/26/62/661532662.db2.gz JAONPNBMVZAFNB-UHFFFAOYSA-N 0 0 380.198 2.781 20 5 GFBDRN Cc1cc(C(=O)NCC(=O)NCCC[C@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000846587674 661557880 /nfs/dbraw/zinc/55/78/80/661557880.db2.gz KINPJWGHCLTJRD-LBPRGKRZSA-N 0 0 388.251 2.723 20 5 GFBDRN Cn1cc(COC(=O)CCc2ccc(Br)cc2F)c([N+](=O)[O-])n1 ZINC000847782958 661610456 /nfs/dbraw/zinc/61/04/56/661610456.db2.gz NLJBVDQZFOJBLV-UHFFFAOYSA-N 0 0 386.177 2.906 20 5 GFBDRN O=C(NC[C@H](CO)Cc1cccnc1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000847904846 661616282 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393.259 2.593 20 5 GFBDRN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849473919 661732853 /nfs/dbraw/zinc/73/28/53/661732853.db2.gz OPFXLKVDJSGZHT-RDDDGLTNSA-N 0 0 388.751 2.589 20 5 GFBDRN O=C(OCC=C(Cl)Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000849676573 661739014 /nfs/dbraw/zinc/73/90/14/661739014.db2.gz XZGYCIUUDHJJGC-QMMMGPOBSA-N 0 0 377.155 2.949 20 5 GFBDRN CO[C@H](COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849953225 661753022 /nfs/dbraw/zinc/75/30/22/661753022.db2.gz HEYGSQYCTOEURY-PRHODGIISA-N 0 0 391.174 2.696 20 5 GFBDRN COC(=O)/C(C)=C/COc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000849954378 661753306 /nfs/dbraw/zinc/75/33/06/661753306.db2.gz QUNHFOCBHDWUPA-XVNBXDOJSA-N 0 0 375.131 2.764 20 5 GFBDRN CC1(C)C(=O)Nc2ccc(C(=O)Cn3cc([N+](=O)[O-])nc3Br)cc21 ZINC000849991926 661760890 /nfs/dbraw/zinc/76/08/90/661760890.db2.gz GGWKJHZHAFHTFC-UHFFFAOYSA-N 0 0 393.197 2.666 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@]1(C)CO ZINC000851850619 661838820 /nfs/dbraw/zinc/83/88/20/661838820.db2.gz REEAZPUYLNUQFB-AMIZOPFISA-N 0 0 383.253 2.541 20 5 GFBDRN C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856917 661839500 /nfs/dbraw/zinc/83/95/00/661839500.db2.gz IRBHDRPZDVCZHA-IAQYHMDHSA-N 0 0 384.841 2.691 20 5 GFBDRN CCn1nccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000851897174 661844869 /nfs/dbraw/zinc/84/48/69/661844869.db2.gz NCVVNBWXEABFAN-UHFFFAOYSA-N 0 0 379.225 2.597 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000851898055 661845114 /nfs/dbraw/zinc/84/51/14/661845114.db2.gz RNSIQVKIWBQYEE-OQPBUACISA-N 0 0 384.788 2.681 20 5 GFBDRN CS(=O)(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(F)(F)F ZINC000852341657 661861686 /nfs/dbraw/zinc/86/16/86/661861686.db2.gz SSFCUUVRWLLWAY-ZYHUDNBSSA-N 0 0 386.779 2.656 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])cc1CN1CCn2ncc(Br)c2C1 ZINC000852626021 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2.681 20 5 GFBDRN O=C(Nc1ccc(-n2cncn2)nc1)c1ccc([N+](=O)[O-])cc1Br ZINC000132787551 551378937 /nfs/dbraw/zinc/37/89/37/551378937.db2.gz GJHNWCDOJRHQRQ-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN O=C(NC[C@]1(O)CCSC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000133115146 551381390 /nfs/dbraw/zinc/38/13/90/551381390.db2.gz UNBUNFOLCSFQOQ-GFCCVEGCSA-N 0 0 395.662 2.609 20 5 GFBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 ZINC000133127209 551382153 /nfs/dbraw/zinc/38/21/53/551382153.db2.gz ZOWUYZUZOGMMHV-UHFFFAOYSA-N 0 0 377.194 2.899 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000133440187 551383019 /nfs/dbraw/zinc/38/30/19/551383019.db2.gz ROKZPYZPOXGAAX-UHFFFAOYSA-N 0 0 393.259 2.559 20 5 GFBDRN Cc1c(Br)cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000135701471 551388853 /nfs/dbraw/zinc/38/88/53/551388853.db2.gz WZMJFRSOZASWOS-HXNGOWOSSA-N 0 0 377.260 2.505 20 5 GFBDRN C[C@@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000146365963 551397195 /nfs/dbraw/zinc/39/71/95/551397195.db2.gz JZAILUCSUQTLDP-SNVBAGLBSA-N 0 0 380.447 2.819 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(Br)cc2Cl)c1 ZINC000152874376 551441509 /nfs/dbraw/zinc/44/15/09/551441509.db2.gz GOLFDXRJXAFILX-JTQLQIEISA-N 0 0 376.594 2.647 20 5 GFBDRN CCC(=O)c1cc(Br)ccc1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000153002376 551444614 /nfs/dbraw/zinc/44/46/14/551444614.db2.gz HZBORSJRCUUJFS-GFCCVEGCSA-N 0 0 398.213 2.586 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2c1C(=O)NC2 ZINC000153147570 551447446 /nfs/dbraw/zinc/44/74/46/551447446.db2.gz GLNLGHJEEQWFSU-UHFFFAOYSA-N 0 0 390.193 2.782 20 5 GFBDRN CCOc1ccccc1NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000153474294 551453397 /nfs/dbraw/zinc/45/33/97/551453397.db2.gz SXQGNKFIEWKDJR-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000154287422 551471284 /nfs/dbraw/zinc/47/12/84/551471284.db2.gz NCSWWMIZHUGZCE-UHFFFAOYSA-N 0 0 385.239 2.878 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ncccc1Br ZINC000154294008 551471418 /nfs/dbraw/zinc/47/14/18/551471418.db2.gz ZRYNUAWYWTUKDT-UHFFFAOYSA-N 0 0 387.211 2.735 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(CC(F)F)CC1 ZINC000155156753 551493203 /nfs/dbraw/zinc/49/32/03/551493203.db2.gz XVSGYWQRUHDEJM-UHFFFAOYSA-N 0 0 393.188 2.772 20 5 GFBDRN Cc1nc(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000157196517 551535170 /nfs/dbraw/zinc/53/51/70/551535170.db2.gz VZVKLPMEGVJVIY-UHFFFAOYSA-N 0 0 382.829 2.619 20 5 GFBDRN C[C@]1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCOC1 ZINC000157536557 551539287 /nfs/dbraw/zinc/53/92/87/551539287.db2.gz KSQWZVVZCCDBJW-HNNXBMFYSA-N 0 0 385.207 2.996 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157892766 551544290 /nfs/dbraw/zinc/54/42/90/551544290.db2.gz DKUOOOWRBAAZJU-CMPLNLGQSA-N 0 0 393.259 2.593 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCSc1nc2cc(Br)cnc2[nH]1 ZINC000159096133 551560947 /nfs/dbraw/zinc/56/09/47/551560947.db2.gz ZNQDYFJOBRKJFE-UHFFFAOYSA-N 0 0 396.226 2.583 20 5 GFBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000160984197 551588379 /nfs/dbraw/zinc/58/83/79/551588379.db2.gz CNFYYRJQWSVSMR-WCQYABFASA-N 0 0 387.255 2.704 20 5 GFBDRN CC(=O)N1CCc2sc(C(=O)CSc3ccc([N+](=O)[O-])cn3)cc2C1 ZINC000163348646 551619031 /nfs/dbraw/zinc/61/90/31/551619031.db2.gz UJWHVSLQKZFSFX-UHFFFAOYSA-N 0 0 377.447 2.931 20 5 GFBDRN CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163392887 551619677 /nfs/dbraw/zinc/61/96/77/551619677.db2.gz DDQNIGQDKUOYPG-NWDGAFQWSA-N 0 0 382.360 2.850 20 5 GFBDRN CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000167826090 551633606 /nfs/dbraw/zinc/63/36/06/551633606.db2.gz NRTNVBURHUISNS-PELKAZGASA-N 0 0 383.253 2.683 20 5 GFBDRN CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000171749482 551661958 /nfs/dbraw/zinc/66/19/58/551661958.db2.gz HWAJEZHZDFNCDO-LLVKDONJSA-N 0 0 383.451 2.644 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758667 551662771 /nfs/dbraw/zinc/66/27/71/551662771.db2.gz NLQJLEKOMDGOHY-HNNXBMFYSA-N 0 0 394.225 2.682 20 5 GFBDRN CS(=O)(=O)Nc1cccc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000172409255 551678636 /nfs/dbraw/zinc/67/86/36/551678636.db2.gz JKOZSTWFAKYEGV-UHFFFAOYSA-N 0 0 382.829 2.577 20 5 GFBDRN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000172644671 551684348 /nfs/dbraw/zinc/68/43/48/551684348.db2.gz UDTFAOQWRZDRPV-SNVBAGLBSA-N 0 0 387.230 2.922 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCc2cscn2)cc1[N+](=O)[O-] ZINC000173198856 552079029 /nfs/dbraw/zinc/07/90/29/552079029.db2.gz SSLZQLCOSCONPI-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(Br)cn3)C2)nc1 ZINC000173472994 552086080 /nfs/dbraw/zinc/08/60/80/552086080.db2.gz CKUFOCVJLCBFDX-ZDUSSCGKSA-N 0 0 378.230 2.834 20 5 GFBDRN CNC(=O)Cc1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000174150927 552100766 /nfs/dbraw/zinc/10/07/66/552100766.db2.gz BEBUERWODGPDQQ-UHFFFAOYSA-N 0 0 375.328 2.938 20 5 GFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175420146 552121300 /nfs/dbraw/zinc/12/13/00/552121300.db2.gz XRMLUXBCAJCGAD-FNODVLLQSA-N 0 0 382.463 2.714 20 5 GFBDRN CCc1ccc(C(=O)Nc2cc(Br)cn(C)c2=O)cc1[N+](=O)[O-] ZINC000175531373 552123988 /nfs/dbraw/zinc/12/39/88/552123988.db2.gz UBHMKNRKSJOYBZ-UHFFFAOYSA-N 0 0 380.198 2.871 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C2CCC2)cc([N+](=O)[O-])c1 ZINC000175957793 552133402 /nfs/dbraw/zinc/13/34/02/552133402.db2.gz XOOCELDOJIUVOX-UHFFFAOYSA-N 0 0 380.344 2.555 20 5 GFBDRN Cc1cnc([C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000178953673 552180260 /nfs/dbraw/zinc/18/02/60/552180260.db2.gz ZGONPVOAFYSGAL-OAHLLOKOSA-N 0 0 381.479 2.973 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1csc(Br)c1)C1CC1 ZINC000179072579 552183938 /nfs/dbraw/zinc/18/39/38/552183938.db2.gz AUOUYIAVESTSQY-UHFFFAOYSA-N 0 0 385.243 2.807 20 5 GFBDRN Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000179353138 552190406 /nfs/dbraw/zinc/19/04/06/552190406.db2.gz ZOMRBSBOCCDIKW-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C(=O)N1CCCC[C@@H]1C ZINC000180558704 552229419 /nfs/dbraw/zinc/22/94/19/552229419.db2.gz JWPGGYKPKSQYLE-QWRGUYRKSA-N 0 0 398.257 2.877 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000180940279 552240529 /nfs/dbraw/zinc/24/05/29/552240529.db2.gz RNVCCZVROSGUKF-LLVKDONJSA-N 0 0 385.833 2.591 20 5 GFBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccc(Br)c1 ZINC000181119375 552247341 /nfs/dbraw/zinc/24/73/41/552247341.db2.gz XPRUNRZXMUDUFW-CQSZACIVSA-N 0 0 394.225 2.619 20 5 GFBDRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)N1CCCCCC1 ZINC000181140531 552248105 /nfs/dbraw/zinc/24/81/05/552248105.db2.gz FBRXSTIURGCTSZ-UHFFFAOYSA-N 0 0 385.214 2.917 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c[nH]cc(Br)c1=O ZINC000183106019 552300404 /nfs/dbraw/zinc/30/04/04/552300404.db2.gz KTVOZUQLFHSCDZ-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN Cc1cnc([C@@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000183376781 552307227 /nfs/dbraw/zinc/30/72/27/552307227.db2.gz OKGOJWNJAUSMID-QMMMGPOBSA-N 0 0 382.829 2.872 20 5 GFBDRN Cc1csc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000183529108 552311917 /nfs/dbraw/zinc/31/19/17/552311917.db2.gz SVOBBKXRWDJLOU-OAHLLOKOSA-N 0 0 381.479 2.874 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000183539501 552312314 /nfs/dbraw/zinc/31/23/14/552312314.db2.gz WTQPRECLTSUQTE-VXGBXAGGSA-N 0 0 383.857 2.610 20 5 GFBDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183754165 552318658 /nfs/dbraw/zinc/31/86/58/552318658.db2.gz XCGNGXSZFKLCGR-SECBINFHSA-N 0 0 379.214 2.696 20 5 GFBDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000184248000 552330679 /nfs/dbraw/zinc/33/06/79/552330679.db2.gz RGICJTNHMKHWDF-UHFFFAOYSA-N 0 0 383.813 2.685 20 5 GFBDRN Cn1cc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc21 ZINC000185206839 552356964 /nfs/dbraw/zinc/35/69/64/552356964.db2.gz IJEZAAJRYCPKQR-UHFFFAOYSA-N 0 0 383.426 2.808 20 5 GFBDRN Cc1c(Br)cc(C(=O)N(C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000186141030 552380100 /nfs/dbraw/zinc/38/01/00/552380100.db2.gz MNTAXNZTWBNDAF-JTQLQIEISA-N 0 0 385.136 2.661 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccn(-c2ccccc2F)n1 ZINC000188225066 552439882 /nfs/dbraw/zinc/43/98/82/552439882.db2.gz CDZQNUGQNLVAGX-UHFFFAOYSA-N 0 0 393.172 2.892 20 5 GFBDRN CCOC(C)(C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000189692116 552477359 /nfs/dbraw/zinc/47/73/59/552477359.db2.gz VNBISUHPNPAPHO-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN O=C(Nc1ccsc1Cl)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189704666 552478243 /nfs/dbraw/zinc/47/82/43/552478243.db2.gz JPMVDJVMLGCSIK-UHFFFAOYSA-N 0 0 381.797 2.538 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000189799496 552480139 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Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445520956 563850227 /nfs/dbraw/zinc/85/02/27/563850227.db2.gz VLSUQNIBNLCFTN-CQSZACIVSA-N 0 0 393.241 2.827 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cncn1Cc1ccccc1 ZINC000445598338 563850907 /nfs/dbraw/zinc/85/09/07/563850907.db2.gz YETOYRAAJGWERQ-UHFFFAOYSA-N 0 0 389.209 2.812 20 5 GFBDRN CC[C@H](CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000416596767 563851307 /nfs/dbraw/zinc/85/13/07/563851307.db2.gz NJFFLOZEXNLXSZ-QMMMGPOBSA-N 0 0 388.339 2.999 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](n2cccn2)C1 ZINC000367756196 563854169 /nfs/dbraw/zinc/85/41/69/563854169.db2.gz FJYFZBYSQQOANT-CYBMUJFWSA-N 0 0 379.214 2.570 20 5 GFBDRN COC(=O)[C@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000416632205 563855394 /nfs/dbraw/zinc/85/53/94/563855394.db2.gz FPMQJRSYMMVWIG-OAHLLOKOSA-N 0 0 390.845 2.520 20 5 GFBDRN C[C@@H]1[C@H](CO)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416632787 563856078 /nfs/dbraw/zinc/85/60/78/563856078.db2.gz GFBVNBNEGPJVHR-BDAKNGLRSA-N 0 0 383.253 2.683 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](CO)Cc2ccccc21 ZINC000368192608 563866236 /nfs/dbraw/zinc/86/62/36/563866236.db2.gz HBBNBBWYQSACNY-LLVKDONJSA-N 0 0 382.825 2.608 20 5 GFBDRN O=[N+]([O-])c1nn(Cc2nc(Cc3cccc(F)c3)no2)cc1Br ZINC000447299625 563879531 /nfs/dbraw/zinc/87/95/31/563879531.db2.gz SGQQZFIMELZFCM-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN CSc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000368871994 563880391 /nfs/dbraw/zinc/88/03/91/563880391.db2.gz FKEHKYPIVLEWOK-AWEZNQCLSA-N 0 0 377.447 2.692 20 5 GFBDRN CCn1cccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000447621593 563883499 /nfs/dbraw/zinc/88/34/99/563883499.db2.gz ZVFPLVSUUAQOAQ-UHFFFAOYSA-N 0 0 381.841 2.838 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000447814336 563887071 /nfs/dbraw/zinc/88/70/71/563887071.db2.gz ZMLVCINRJDQLLJ-ISOBSLSZSA-N 0 0 386.246 2.833 20 5 GFBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccon1 ZINC000537930629 564178800 /nfs/dbraw/zinc/17/88/00/564178800.db2.gz BYTFJVOORJESQM-SSDOTTSWSA-N 0 0 387.133 2.678 20 5 GFBDRN NC(=O)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000471144183 564187607 /nfs/dbraw/zinc/18/76/07/564187607.db2.gz VZYNHRUXQUXKOH-ZDUSSCGKSA-N 0 0 393.197 2.705 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCCc1cccs1 ZINC000538815633 564202008 /nfs/dbraw/zinc/20/20/08/564202008.db2.gz BZXDTSCSTBQRDS-UHFFFAOYSA-N 0 0 381.841 2.789 20 5 GFBDRN Cn1ncc(Br)c1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000450000084 564213297 /nfs/dbraw/zinc/21/32/97/564213297.db2.gz RHRDHKSTHUCCFW-CQSZACIVSA-N 0 0 397.254 2.979 20 5 GFBDRN COc1ccc(Br)c(CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000564156959 564222953 /nfs/dbraw/zinc/22/29/53/564222953.db2.gz OBZYOBGLASBHRC-UHFFFAOYSA-N 0 0 380.198 2.966 20 5 GFBDRN COC1(C)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000539704652 564225750 /nfs/dbraw/zinc/22/57/50/564225750.db2.gz KZOMMHOCQRNBRH-UHFFFAOYSA-N 0 0 385.207 2.948 20 5 GFBDRN CC(C)(O)[C@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387822 564231499 /nfs/dbraw/zinc/23/14/99/564231499.db2.gz QGCFUVNXIFHTMU-CYBMUJFWSA-N 0 0 390.221 2.935 20 5 GFBDRN Cc1ncsc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000472813586 564234653 /nfs/dbraw/zinc/23/46/53/564234653.db2.gz UUPGDAGKDXOWNK-UHFFFAOYSA-N 0 0 376.423 2.892 20 5 GFBDRN Cc1nc(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)ncc1[N+](=O)[O-] ZINC000450484980 564234909 /nfs/dbraw/zinc/23/49/09/564234909.db2.gz MZTRPWCWVKIXFJ-GFCCVEGCSA-N 0 0 392.213 2.673 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450540644 564237643 /nfs/dbraw/zinc/23/76/43/564237643.db2.gz OKKSBONWBSDHJF-LBPRGKRZSA-N 0 0 381.479 2.979 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1nnc(C2CC2)[nH]1 ZINC000450630616 564242107 /nfs/dbraw/zinc/24/21/07/564242107.db2.gz XBYZSPNANJAYRS-UHFFFAOYSA-N 0 0 389.213 2.935 20 5 GFBDRN Cc1cc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)ncc1[N+](=O)[O-] ZINC000450885343 564252809 /nfs/dbraw/zinc/25/28/09/564252809.db2.gz BNRMTJSXYAPRTG-GFCCVEGCSA-N 0 0 398.232 2.885 20 5 GFBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1c([N+](=O)[O-])ncn1C ZINC000450888217 564253016 /nfs/dbraw/zinc/25/30/16/564253016.db2.gz KXGKMEUUERJRES-LLVKDONJSA-N 0 0 383.246 2.662 20 5 GFBDRN C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509139675 564283466 /nfs/dbraw/zinc/28/34/66/564283466.db2.gz QMGZUUGXMYNODS-NSHDSACASA-N 0 0 382.825 2.727 20 5 GFBDRN CNC(=O)COc1ccc(Oc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000541576622 564284115 /nfs/dbraw/zinc/28/41/15/564284115.db2.gz OLONCECFBWFHHQ-UHFFFAOYSA-N 0 0 396.197 2.978 20 5 GFBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(=O)[nH]1 ZINC000541649914 564284948 /nfs/dbraw/zinc/28/49/48/564284948.db2.gz GCGWBZGBGSOJBK-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1ccn(C)c1 ZINC000509350438 564294026 /nfs/dbraw/zinc/29/40/26/564294026.db2.gz KBRNPBBTFHXUJB-UHFFFAOYSA-N 0 0 399.188 2.776 20 5 GFBDRN CSC1(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000475488114 564309884 /nfs/dbraw/zinc/30/98/84/564309884.db2.gz PKLULZKSVUORCU-UHFFFAOYSA-N 0 0 399.475 2.718 20 5 GFBDRN Cc1c(Br)c(N2CCCC[C@@H]2[C@H]2CNC(=O)C2)ncc1[N+](=O)[O-] ZINC000542508175 564316211 /nfs/dbraw/zinc/31/62/11/564316211.db2.gz XGMSDHIPUPACRB-GHMZBOCLSA-N 0 0 383.246 2.556 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000475887582 564323968 /nfs/dbraw/zinc/32/39/68/564323968.db2.gz JNIJHLMCIFIJNF-LBPRGKRZSA-N 0 0 377.194 2.736 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)c1ccc(Br)cc1 ZINC000510080868 564325350 /nfs/dbraw/zinc/32/53/50/564325350.db2.gz CAFCQEYSLGTLEH-UHFFFAOYSA-N 0 0 393.193 2.865 20 5 GFBDRN CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000566437562 564327842 /nfs/dbraw/zinc/32/78/42/564327842.db2.gz DQEGGEYVXOIICM-UHFFFAOYSA-N 0 0 393.241 2.872 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000451658048 564337337 /nfs/dbraw/zinc/33/73/37/564337337.db2.gz XAWFLINLLLJFSQ-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN CCCCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000543120887 564338046 /nfs/dbraw/zinc/33/80/46/564338046.db2.gz DATQMDYSOYXVFB-CYBMUJFWSA-N 0 0 386.495 2.503 20 5 GFBDRN O=c1c(I)cc(F)cn1Cc1csc([N+](=O)[O-])c1 ZINC000543149203 564339980 /nfs/dbraw/zinc/33/99/80/564339980.db2.gz DYYOFDXJNJCBDV-UHFFFAOYSA-N 0 0 380.138 2.610 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N([C@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000543148262 564340168 /nfs/dbraw/zinc/34/01/68/564340168.db2.gz ACRPHGZCBVXQEQ-SNVBAGLBSA-N 0 0 398.257 2.617 20 5 GFBDRN Cc1c(Br)c(N2CCN(CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000543436108 564350239 /nfs/dbraw/zinc/35/02/39/564350239.db2.gz GNLCZWQAPPCULC-UHFFFAOYSA-N 0 0 387.278 2.608 20 5 GFBDRN CC(C)[C@@H](CO)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451858612 564359614 /nfs/dbraw/zinc/35/96/14/564359614.db2.gz RXNXDDMBRVQFAZ-BXUZGUMPSA-N 0 0 378.878 2.816 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1cc2ccc(Br)cn2[nH]1 ZINC000511283049 564365572 /nfs/dbraw/zinc/36/55/72/564365572.db2.gz DSTNPQQJVAZPEJ-UHFFFAOYSA-N 0 0 375.182 2.608 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@H]2C2CC2)c2ncccc12 ZINC000451909832 564365749 /nfs/dbraw/zinc/36/57/49/564365749.db2.gz OBCRBGXKINAQOP-AWEZNQCLSA-N 0 0 379.463 2.659 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000451929071 564368240 /nfs/dbraw/zinc/36/82/40/564368240.db2.gz SKQBHSCUSICCQF-FRRDWIJNSA-N 0 0 388.873 2.728 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000451946711 564371338 /nfs/dbraw/zinc/37/13/38/564371338.db2.gz MQEQXSDLUKJPAD-LLVKDONJSA-N 0 0 378.878 2.974 20 5 GFBDRN Cc1c(Br)c(=O)n(CCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000544042641 564372760 /nfs/dbraw/zinc/37/27/60/564372760.db2.gz RPLRLZPYLVPODS-UHFFFAOYSA-N 0 0 380.198 2.856 20 5 GFBDRN COc1c(C)cnc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1C ZINC000544078022 564373452 /nfs/dbraw/zinc/37/34/52/564373452.db2.gz VKFBJKVEAKGCLP-UHFFFAOYSA-N 0 0 382.214 2.896 20 5 GFBDRN Cc1cc(F)c(C(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1F ZINC000477427757 564377020 /nfs/dbraw/zinc/37/70/20/564377020.db2.gz NKRYZWFVFKAZCW-UHFFFAOYSA-N 0 0 387.136 2.989 20 5 GFBDRN CS(=O)(=O)c1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)ccn1 ZINC000544633774 564391838 /nfs/dbraw/zinc/39/18/38/564391838.db2.gz XGIMODSQQJDFOQ-UHFFFAOYSA-N 0 0 380.769 2.764 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](CCCO)C1 ZINC000452108536 564393822 /nfs/dbraw/zinc/39/38/22/564393822.db2.gz FFBVSQPBXXRLDE-VIFPVBQESA-N 0 0 383.253 2.685 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000512325773 564397842 /nfs/dbraw/zinc/39/78/42/564397842.db2.gz XJZHXGMWDGUHDU-SECBINFHSA-N 0 0 379.214 2.850 20 5 GFBDRN NC(=O)C[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000512374033 564399912 /nfs/dbraw/zinc/39/99/12/564399912.db2.gz RUPLDBBNXQMGAV-SECBINFHSA-N 0 0 398.238 2.765 20 5 GFBDRN CCOC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000568305230 564413261 /nfs/dbraw/zinc/41/32/61/564413261.db2.gz TYORNYGCOITFPJ-UHFFFAOYSA-N 0 0 385.214 2.739 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000478912897 564418864 /nfs/dbraw/zinc/41/88/64/564418864.db2.gz WAOZOOVJWYJTCT-GXSJLCMTSA-N 0 0 382.360 2.955 20 5 GFBDRN NC(=O)c1ccc(OCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000568449530 564419427 /nfs/dbraw/zinc/41/94/27/564419427.db2.gz JIJFPBLAJJLRTQ-UHFFFAOYSA-N 0 0 398.156 2.877 20 5 GFBDRN COc1ccc(COc2c(CO)cc(Br)cc2CO)cc1[N+](=O)[O-] ZINC000545365759 564419993 /nfs/dbraw/zinc/41/99/93/564419993.db2.gz HLULWQXFSONYKI-UHFFFAOYSA-N 0 0 398.209 2.930 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1cc(Br)cn1 ZINC000479538896 564443390 /nfs/dbraw/zinc/44/33/90/564443390.db2.gz CNSUFIMYEYFQFG-UHFFFAOYSA-N 0 0 382.218 2.992 20 5 GFBDRN CCCC(=O)NCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000546445889 564456346 /nfs/dbraw/zinc/45/63/46/564456346.db2.gz YMSOFQLZUNZOJF-UHFFFAOYSA-N 0 0 383.202 2.747 20 5 GFBDRN Cc1c(Br)cc(-c2nc([C@H]3CN(C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505458 564457079 /nfs/dbraw/zinc/45/70/79/564457079.db2.gz YJMJFLROCSOFBU-CYBMUJFWSA-N 0 0 396.245 2.634 20 5 GFBDRN CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480048956 564459848 /nfs/dbraw/zinc/45/98/48/564459848.db2.gz UDPPCNXVDUFWSR-LBPRGKRZSA-N 0 0 383.253 2.947 20 5 GFBDRN NC(=O)c1ccnc(NCCc2cc(Cl)ccc2Br)c1[N+](=O)[O-] ZINC000569400235 564461951 /nfs/dbraw/zinc/46/19/51/564461951.db2.gz ZMDHVUVTMDPRBP-UHFFFAOYSA-N 0 0 399.632 2.581 20 5 GFBDRN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000514905913 564461963 /nfs/dbraw/zinc/46/19/63/564461963.db2.gz RAJZXARYTGSVQR-VIFPVBQESA-N 0 0 380.202 2.708 20 5 GFBDRN CCOC(=O)CN(CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569411978 564462581 /nfs/dbraw/zinc/46/25/81/564462581.db2.gz DLCVVRGCXDWATA-UHFFFAOYSA-N 0 0 392.193 2.584 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000515021361 564465437 /nfs/dbraw/zinc/46/54/37/564465437.db2.gz ZZNHRUPDQAEPRA-INIZCTEOSA-N 0 0 382.463 2.731 20 5 GFBDRN COc1ccc(CC(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000546726556 564465567 /nfs/dbraw/zinc/46/55/67/564465567.db2.gz PJBMDGGQGQUAMS-CYBMUJFWSA-N 0 0 379.463 2.919 20 5 GFBDRN Cc1c(Br)c(NCc2nc(C(F)(F)F)n[nH]2)ncc1[N+](=O)[O-] ZINC000480321954 564468318 /nfs/dbraw/zinc/46/83/18/564468318.db2.gz ADUHEIBRMPGKAP-UHFFFAOYSA-N 0 0 381.112 2.810 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1Br ZINC000546907859 564473065 /nfs/dbraw/zinc/47/30/65/564473065.db2.gz JZFMZCTZTIXGRO-UHFFFAOYSA-N 0 0 378.186 2.798 20 5 GFBDRN O=[N+]([O-])c1ccc2[nH]c(=NCCCCn3cc(Br)cn3)[nH]c2c1 ZINC000480498637 564476175 /nfs/dbraw/zinc/47/61/75/564476175.db2.gz WZZSVWBYVHHDCU-UHFFFAOYSA-N 0 0 379.218 2.744 20 5 GFBDRN CC[C@H](C)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379051 564477772 /nfs/dbraw/zinc/47/77/72/564477772.db2.gz FVRPAYXDBWKJFE-GXSJLCMTSA-N 0 0 378.834 2.504 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000569926394 564484241 /nfs/dbraw/zinc/48/42/41/564484241.db2.gz XIZKTEFCYDEFQD-VHSXEESVSA-N 0 0 388.193 2.693 20 5 GFBDRN CCN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000516321632 564499729 /nfs/dbraw/zinc/49/97/29/564499729.db2.gz JHYOUBZXUWBDRO-UHFFFAOYSA-N 0 0 382.463 2.765 20 5 GFBDRN Cc1c(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cnn1C ZINC000547741868 564508850 /nfs/dbraw/zinc/50/88/50/564508850.db2.gz CNFCHTLYVGIEHF-UHFFFAOYSA-N 0 0 381.230 2.600 20 5 GFBDRN C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000517011784 564521094 /nfs/dbraw/zinc/52/10/94/564521094.db2.gz XOHWUCQIBUJWLA-ZCFIWIBFSA-N 0 0 384.120 2.973 20 5 GFBDRN CS(=O)(=O)CCCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000482260579 564539895 /nfs/dbraw/zinc/53/98/95/564539895.db2.gz OUHLUCNZJRSZLH-UHFFFAOYSA-N 0 0 382.360 2.558 20 5 GFBDRN Cc1cc(N2CCN(CC(F)(F)F)C(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000571189221 564540096 /nfs/dbraw/zinc/54/00/96/564540096.db2.gz MGRKQQNLIRPJGH-UHFFFAOYSA-N 0 0 396.163 2.877 20 5 GFBDRN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000571690068 564562681 /nfs/dbraw/zinc/56/26/81/564562681.db2.gz YPAXHFQQFBBHQS-KYZUINATSA-N 0 0 383.177 2.896 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@H](CC)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000518970985 564566701 /nfs/dbraw/zinc/56/67/01/564566701.db2.gz TVJCAPSFZPPVDT-LLVKDONJSA-N 0 0 384.376 2.793 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@@H](OCCO)C1 ZINC000548693040 564569994 /nfs/dbraw/zinc/56/99/94/564569994.db2.gz SBAQHTBYTNULLC-GFCCVEGCSA-N 0 0 396.241 2.883 20 5 GFBDRN CCC1(CC)CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCS1 ZINC000571969230 564574328 /nfs/dbraw/zinc/57/43/28/564574328.db2.gz ICJPHYUBZIDZPN-UHFFFAOYSA-N 0 0 387.527 2.957 20 5 GFBDRN C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000519692065 564586753 /nfs/dbraw/zinc/58/67/53/564586753.db2.gz ISYPQEWYTAHESQ-OAHLLOKOSA-N 0 0 386.426 2.562 20 5 GFBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520038199 564595747 /nfs/dbraw/zinc/59/57/47/564595747.db2.gz OUGDQWZWYRUYID-VIFPVBQESA-N 0 0 380.198 2.819 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC000456439300 564607150 /nfs/dbraw/zinc/60/71/50/564607150.db2.gz PSWVAHOJHNWJLZ-VIFPVBQESA-N 0 0 381.230 2.760 20 5 GFBDRN Cn1c2ccc(Nc3ncc([N+](=O)[O-])cc3Br)cc2n(C)c1=O ZINC000485183681 564609279 /nfs/dbraw/zinc/60/92/79/564609279.db2.gz QPVXSGQVFUJVPU-UHFFFAOYSA-N 0 0 378.186 2.686 20 5 GFBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000521064363 564618567 /nfs/dbraw/zinc/61/85/67/564618567.db2.gz CDZJTWHJLQXHJK-LLVKDONJSA-N 0 0 393.241 2.916 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000550270983 564618630 /nfs/dbraw/zinc/61/86/30/564618630.db2.gz IUIMRJVJJXRFON-RISCZKNCSA-N 0 0 398.257 2.830 20 5 GFBDRN CCCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000485731450 564624440 /nfs/dbraw/zinc/62/44/40/564624440.db2.gz NARNWWZYOKGNKF-GFCCVEGCSA-N 0 0 386.495 2.746 20 5 GFBDRN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000573222302 564629428 /nfs/dbraw/zinc/62/94/28/564629428.db2.gz WEDOZZHSSGPECU-UHFFFAOYSA-N 0 0 395.213 2.516 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000485913613 564631233 /nfs/dbraw/zinc/63/12/33/564631233.db2.gz OEFOOHCPKNKQLW-FZMZJTMJSA-N 0 0 386.495 2.792 20 5 GFBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000456822997 564635861 /nfs/dbraw/zinc/63/58/61/564635861.db2.gz ZFFRACDPCPVEQH-DOMZBBRYSA-N 0 0 380.447 2.601 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000551027193 564636332 /nfs/dbraw/zinc/63/63/32/564636332.db2.gz ODGDOMHRCMHOFQ-UHFFFAOYSA-N 0 0 393.241 2.658 20 5 GFBDRN O=C(N=c1ccn(CC(F)F)[nH]1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486164836 564642066 /nfs/dbraw/zinc/64/20/66/564642066.db2.gz HLBONBJXURVIKW-UHFFFAOYSA-N 0 0 381.158 2.555 20 5 GFBDRN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000551767314 564663449 /nfs/dbraw/zinc/66/34/49/564663449.db2.gz VROIWYUBZLDUEF-VIFPVBQESA-N 0 0 384.230 2.943 20 5 GFBDRN CN(Cc1ccccc1Br)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523288165 564664171 /nfs/dbraw/zinc/66/41/71/564664171.db2.gz AWIYUODHLWLKKT-UHFFFAOYSA-N 0 0 381.230 2.948 20 5 GFBDRN COCc1ccccc1S(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486721031 564664775 /nfs/dbraw/zinc/66/47/75/564664775.db2.gz GYPOMAFQYVPBDH-UHFFFAOYSA-N 0 0 384.841 2.916 20 5 GFBDRN Cn1cc(Br)c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000552315298 564685582 /nfs/dbraw/zinc/68/55/82/564685582.db2.gz BRPONOMFXZNWJT-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN COc1cccc(C[C@H](O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000552398795 564689606 /nfs/dbraw/zinc/68/96/06/564689606.db2.gz WYHTXLOYKHPWHR-HNNXBMFYSA-N 0 0 395.209 2.908 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000575474636 564699285 /nfs/dbraw/zinc/69/92/85/564699285.db2.gz ZULUKBGNWJELRT-ONGXEEELSA-N 0 0 390.845 2.803 20 5 GFBDRN Cc1ccnc(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c1[N+](=O)[O-] ZINC000488721140 564717887 /nfs/dbraw/zinc/71/78/87/564717887.db2.gz MFLJWRUNDVCJJM-GFCCVEGCSA-N 0 0 377.198 2.888 20 5 GFBDRN COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000488878211 564723361 /nfs/dbraw/zinc/72/33/61/564723361.db2.gz LICOVFYMJDURSM-GWCFXTLKSA-N 0 0 387.230 2.623 20 5 GFBDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Br)cn1 ZINC000527266454 564736640 /nfs/dbraw/zinc/73/66/40/564736640.db2.gz SUBHLWKEGSLUJA-MRVPVSSYSA-N 0 0 394.181 2.972 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])s1 ZINC000579627257 564749527 /nfs/dbraw/zinc/74/95/27/564749527.db2.gz PVWWQWKLPBGFLC-SNVBAGLBSA-N 0 0 396.222 2.564 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GFBDRN Cc1nnc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000598505874 565621600 /nfs/dbraw/zinc/62/16/00/565621600.db2.gz LXVPCANWVAHOFG-UHFFFAOYSA-N 0 0 385.243 2.718 20 5 GFBDRN Cn1cc([C@H]2C[C@H](Nc3ncc([N+](=O)[O-])cc3Br)CCO2)cn1 ZINC000599105583 565657098 /nfs/dbraw/zinc/65/70/98/565657098.db2.gz DDSVWHPJMUJFRE-ZWNOBZJWSA-N 0 0 382.218 2.818 20 5 GFBDRN CCC(O)(CC)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599506567 565685569 /nfs/dbraw/zinc/68/55/69/565685569.db2.gz MSFVCCIZPZRJPY-UHFFFAOYSA-N 0 0 384.376 2.785 20 5 GFBDRN Cc1ccc(NCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])nc1 ZINC000599621566 565694164 /nfs/dbraw/zinc/69/41/64/565694164.db2.gz AYZZQXCIOVHHSO-UHFFFAOYSA-N 0 0 393.241 2.715 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000599707057 565697662 /nfs/dbraw/zinc/69/76/62/565697662.db2.gz PAUCIGOSDZENRY-LLVKDONJSA-N 0 0 394.229 2.501 20 5 GFBDRN C/C=C/C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)OCC ZINC000599772978 565700613 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Cc1c(Br)cc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000600815921 565751957 /nfs/dbraw/zinc/75/19/57/565751957.db2.gz YJQSNWJNCJRZDM-ZDUSSCGKSA-N 0 0 396.241 2.549 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCN(c2cncc(F)c2)CC1 ZINC000601186645 565770446 /nfs/dbraw/zinc/77/04/46/565770446.db2.gz SUHWSBVYRLPYDC-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)c([N+](=O)[O-])s1 ZINC000601397994 565781494 /nfs/dbraw/zinc/78/14/94/565781494.db2.gz ZFHFXCYOHHGHRB-VIFPVBQESA-N 0 0 391.521 2.900 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1OC2CCC1CC2 ZINC000601536253 565790609 /nfs/dbraw/zinc/79/06/09/565790609.db2.gz XCYHMPUSGUICCW-UHFFFAOYSA-N 0 0 377.216 2.604 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CCSc1nc2sc(C)c(C)c2c(=O)n1C ZINC000601917482 565808550 /nfs/dbraw/zinc/80/85/50/565808550.db2.gz VGLSYXCLYUTJIZ-UHFFFAOYSA-N 0 0 379.467 2.817 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000602311062 565838289 /nfs/dbraw/zinc/83/82/89/565838289.db2.gz XILXUENMWLAKKG-ZWKOPEQDSA-N 0 0 377.198 2.615 20 5 GFBDRN COC(=O)C12CCC(CC1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602415527 565846706 /nfs/dbraw/zinc/84/67/06/565846706.db2.gz MHBFVEHYVSTKPU-UHFFFAOYSA-N 0 0 383.198 2.668 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCC(Cn3ccnn3)CC2)cc1Br ZINC000602494348 565853067 /nfs/dbraw/zinc/85/30/67/565853067.db2.gz NQKAOHACSYCXRA-UHFFFAOYSA-N 0 0 386.275 2.923 20 5 GFBDRN O=C(C1CC1)N1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602627613 565858093 /nfs/dbraw/zinc/85/80/93/565858093.db2.gz WRBGTMFRVDQHAK-UHFFFAOYSA-N 0 0 388.287 2.863 20 5 GFBDRN CC1(C)[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C[C@@H]1N1CCOCC1 ZINC000603400490 565902719 /nfs/dbraw/zinc/90/27/19/565902719.db2.gz YMOKQEJUYGRKTF-OLZOCXBDSA-N 0 0 385.262 2.664 20 5 GFBDRN CCc1nn(C)c(NCc2snc(OC)c2Br)c1[N+](=O)[O-] ZINC000603412736 565903970 /nfs/dbraw/zinc/90/39/70/565903970.db2.gz NZBSQKJUSRSBCT-UHFFFAOYSA-N 0 0 376.236 2.730 20 5 GFBDRN O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000603818232 565916910 /nfs/dbraw/zinc/91/69/10/565916910.db2.gz XKRWPMPNYYIBDK-UHFFFAOYSA-N 0 0 388.181 2.894 20 5 GFBDRN Cc1cc(Oc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000603915768 565919264 /nfs/dbraw/zinc/91/92/64/565919264.db2.gz FQNPIQDCZIFDNS-UHFFFAOYSA-N 0 0 385.419 2.503 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000603958520 565920465 /nfs/dbraw/zinc/92/04/65/565920465.db2.gz ARPFABXCAIMJSB-LBPRGKRZSA-N 0 0 382.825 2.839 20 5 GFBDRN CN(CCCC(=O)OC(C)(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000608980353 566029094 /nfs/dbraw/zinc/02/90/94/566029094.db2.gz AGFVARMOAZKBMM-UHFFFAOYSA-N 0 0 392.861 2.991 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000609030166 566029202 /nfs/dbraw/zinc/02/92/02/566029202.db2.gz KCLQDSSSLUGEIT-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCn1cc(Br)cn1 ZINC000609140999 566031223 /nfs/dbraw/zinc/03/12/23/566031223.db2.gz SWFZJURHTNDCOB-SNVBAGLBSA-N 0 0 379.214 2.922 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000609127629 566031312 /nfs/dbraw/zinc/03/13/12/566031312.db2.gz OMYSDPGBMNTMKO-GFCCVEGCSA-N 0 0 393.241 2.705 20 5 GFBDRN C[C@H](Cc1ccsc1)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609392094 566039340 /nfs/dbraw/zinc/03/93/40/566039340.db2.gz PVIUAMCOUHBMNN-SNVBAGLBSA-N 0 0 381.841 2.787 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000609495070 566041806 /nfs/dbraw/zinc/04/18/06/566041806.db2.gz NFFLOMCISYTRJT-UHFFFAOYSA-N 0 0 380.813 2.744 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H](O)C1CCOCC1 ZINC000609914661 566058079 /nfs/dbraw/zinc/05/80/79/566058079.db2.gz SDNNWRLDQDIUKD-HNNXBMFYSA-N 0 0 396.241 2.527 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000610067766 566063696 /nfs/dbraw/zinc/06/36/96/566063696.db2.gz VVRBZKLCSASWHF-PELKAZGASA-N 0 0 382.722 2.805 20 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566111651 /nfs/dbraw/zinc/11/16/51/566111651.db2.gz KDFRJWCDVHUQSQ-ABAIWWIYSA-N 0 0 384.841 2.691 20 5 GFBDRN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1Cc1cccc([N+](=O)[O-])c1C ZINC000737215470 598824873 /nfs/dbraw/zinc/82/48/73/598824873.db2.gz ILDIEMAHAABHBF-UHFFFAOYSA-N 0 0 376.380 2.699 20 5 GFBDRN C[C@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038139 598889265 /nfs/dbraw/zinc/88/92/65/598889265.db2.gz SFMZSSXTHPTHOW-UTSBKAFOSA-N 0 0 395.375 2.799 20 5 GFBDRN O=C(c1ccc(-c2nn[nH]n2)nc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738259567 598999547 /nfs/dbraw/zinc/99/95/47/598999547.db2.gz RMMTUCOFSWAWJO-UHFFFAOYSA-N 0 0 399.798 2.880 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCc2c[nH]c3ccc(Cl)cc23)c(-c2nn[nH]n2)c1 ZINC000823652251 599066497 /nfs/dbraw/zinc/06/64/97/599066497.db2.gz XLPHMILBTRZWPJ-UHFFFAOYSA-N 0 0 384.787 2.959 20 5 GFBDRN O=[N+]([O-])c1c(N[C@H]2CCSC2)cc(N[C@H]2CCSC2)cc1-c1nn[nH]n1 ZINC000823630262 599078233 /nfs/dbraw/zinc/07/82/33/599078233.db2.gz USGDMQUMGCLCPS-UWVGGRQHSA-N 0 0 393.498 2.610 20 5 GFBDRN Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[nH]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000737283293 599083074 /nfs/dbraw/zinc/08/30/74/599083074.db2.gz PEHFYZXRMCBUHW-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000823646922 599088500 /nfs/dbraw/zinc/08/85/00/599088500.db2.gz DAHZCYAYADCAER-GFCCVEGCSA-N 0 0 383.437 2.789 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000823639999 599109841 /nfs/dbraw/zinc/10/98/41/599109841.db2.gz ONWBITROVHCDSK-KDOFPFPSSA-N 0 0 380.408 2.867 20 5 GFBDRN CCc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000736690967 599156903 /nfs/dbraw/zinc/15/69/03/599156903.db2.gz MEZGHRKFITUYAK-NSHDSACASA-N 0 0 383.364 2.710 20 5 GFBDRN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735906780 599184685 /nfs/dbraw/zinc/18/46/85/599184685.db2.gz WQIQMLJUYMESGQ-UHFFFAOYSA-N 0 0 382.380 2.743 20 5 GFBDRN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735873457 599182366 /nfs/dbraw/zinc/18/23/66/599182366.db2.gz ACBCIFWCZWWEAG-UHFFFAOYSA-N 0 0 380.408 2.755 20 5 GFBDRN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736505320 599182947 /nfs/dbraw/zinc/18/29/47/599182947.db2.gz LQCBTUAIKIVEIH-ZDUSSCGKSA-N 0 0 380.408 2.927 20 5 GFBDRN O=C(COc1cccc(-c2nn[nH]n2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737924786 599186758 /nfs/dbraw/zinc/18/67/58/599186758.db2.gz LEIPRAFLSDEMBB-UHFFFAOYSA-N 0 0 389.755 2.551 20 5 GFBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959841 599207788 /nfs/dbraw/zinc/20/77/88/599207788.db2.gz CDNBRMLCEROFTL-SFHVURJKSA-N 0 0 396.432 2.592 20 5 GFBDRN O=[N+]([O-])c1cc(NCCc2nc(C(F)(F)F)cs2)ccc1-c1nn[nH]n1 ZINC000823634156 607348578 /nfs/dbraw/zinc/34/85/78/607348578.db2.gz BGCUFRZANMILRW-UHFFFAOYSA-N 0 0 385.331 2.905 20 5 GFBDRN COc1cccc(N2CC[C@@H](CNc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737137737 598354099 /nfs/dbraw/zinc/35/40/99/598354099.db2.gz DILDEPSBIOQNPL-ZDUSSCGKSA-N 0 0 395.423 2.722 20 5 GFBDRN CC(C)COc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000735844851 598388020 /nfs/dbraw/zinc/38/80/20/598388020.db2.gz OOYICPWTQABRQY-UHFFFAOYSA-N 0 0 383.412 2.859 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(-c2nn[nH]n2)c1 ZINC000738370795 598390356 /nfs/dbraw/zinc/39/03/56/598390356.db2.gz QLLFKOYGDBLTBA-LLVKDONJSA-N 0 0 387.350 2.744 20 5 GFBDRN C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000736152366 598487605 /nfs/dbraw/zinc/48/76/05/598487605.db2.gz TZKYUXIMEYUEHG-LBPRGKRZSA-N 0 0 382.380 2.881 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(=Cc3cccc(F)c3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370599 598499859 /nfs/dbraw/zinc/49/98/59/598499859.db2.gz WKRBWIIQUHRFFH-UHFFFAOYSA-N 0 0 381.371 2.993 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738371975 598504390 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UCDUKXUGEKCWIT-NSHDSACASA-N 0 0 381.396 2.698 20 5 GFBDRN CC(C)CC[C@](C)(O)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072674 599570281 /nfs/dbraw/zinc/57/02/81/599570281.db2.gz KCARQPRPFGNHIG-SFHVURJKSA-N 0 0 385.428 2.922 20 5 GFBDRN O=[N+]([O-])c1ccc(OC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cc1 ZINC000823643759 599591667 /nfs/dbraw/zinc/59/16/67/599591667.db2.gz ALYKKVVWVDPSIV-UHFFFAOYSA-N 0 0 398.398 2.957 20 5 GFBDRN Cc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1Cl ZINC000822326815 599689973 /nfs/dbraw/zinc/68/99/73/599689973.db2.gz AXCYRMIOMKJTPN-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000737974224 599858613 /nfs/dbraw/zinc/85/86/13/599858613.db2.gz UAAXBHNUAXLDLD-GOSISDBHSA-N 0 0 387.392 2.656 20 5 GFBDRN O=C([O-])/C=C\c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622872 600791928 /nfs/dbraw/zinc/79/19/28/600791928.db2.gz CQJJXWMDJHNJFY-XYBJCVHJSA-N 0 0 397.431 2.742 20 5 GFBDRN C[C@@H](C(=O)[O-])[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826054327 601657551 /nfs/dbraw/zinc/65/75/51/601657551.db2.gz MCGUMKXURSCLEJ-ACJLOTCBSA-N 0 0 399.403 2.944 20 5 GFBDRN COCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826164114 607522700 /nfs/dbraw/zinc/52/27/00/607522700.db2.gz BAKKTHGOZYBHFZ-UHFFFAOYSA-N 0 0 388.771 2.827 20 5 GFBDRN COc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826191183 607525142 /nfs/dbraw/zinc/52/51/42/607525142.db2.gz ZLSJCEDODXTUSD-UHFFFAOYSA-N 0 0 388.771 2.618 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740151631 602266331 /nfs/dbraw/zinc/26/63/31/602266331.db2.gz CREZJJGLVJPJIA-XJKSGUPXSA-N 0 0 378.429 2.742 20 5 GFBDRN Cc1cc(N2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891008 602317280 /nfs/dbraw/zinc/31/72/80/602317280.db2.gz HMXUUVXVAZSJFB-DNVCBOLYSA-N 0 0 399.447 2.846 20 5 GFBDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000825473906 603649114 /nfs/dbraw/zinc/64/91/14/603649114.db2.gz VXOXWGGHZHMZGX-KWBADKCTSA-N 0 0 384.820 2.601 20 5 GFBDRN Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829881046 603724742 /nfs/dbraw/zinc/72/47/42/603724742.db2.gz PHPRZESRFICFPD-BLLLJJGKSA-N 0 0 378.429 2.600 20 5 GFBDRN C[C@H](Oc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1)C(=O)[O-] ZINC000833540867 604657501 /nfs/dbraw/zinc/65/75/01/604657501.db2.gz LNSQGDIRHGBFHI-DZGCQCFKSA-N 0 0 386.408 2.528 20 5 GFBDRN O=C([O-])[C@@H]([NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 ZINC000833166910 604988599 /nfs/dbraw/zinc/98/85/99/604988599.db2.gz WOOZHYKCMVADET-AWEZNQCLSA-N 0 0 384.314 2.836 20 5 GFBDRN CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)C1 ZINC000833622353 605006789 /nfs/dbraw/zinc/00/67/89/605006789.db2.gz HEKNWCAEXLAKMX-WFASDCNBSA-N 0 0 395.481 2.620 20 5 GFBDRN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833622341 605006968 /nfs/dbraw/zinc/00/69/68/605006968.db2.gz HEKNWCAEXLAKMX-DOMZBBRYSA-N 0 0 395.481 2.620 20 5 GFBDRN CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833487306 605018363 /nfs/dbraw/zinc/01/83/63/605018363.db2.gz IMEOHHLQPHNFHX-UHFFFAOYSA-N 0 0 395.481 2.575 20 5 GFBDRN CCOc1cc(Cl)ccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000825615968 607735883 /nfs/dbraw/zinc/73/58/83/607735883.db2.gz RCLNBKVWPUAJDN-UHFFFAOYSA-N 0 0 375.776 2.834 20 5 GFBDRN CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H]1C ZINC000833658035 605174436 /nfs/dbraw/zinc/17/44/36/605174436.db2.gz QEIAHGBTPRCPET-CHWSQXEVSA-N 0 0 395.481 2.716 20 5 GFBDRN CC[C@](C)(CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1OCCO1 ZINC000820854052 606056073 /nfs/dbraw/zinc/05/60/73/606056073.db2.gz RBRKSLQODQHOID-QGZVFWFLSA-N 0 0 376.417 2.756 20 5 GFBDRN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000821640949 606416498 /nfs/dbraw/zinc/41/64/98/606416498.db2.gz SKGZUBJQGXWKBD-SJCJKPOMSA-N 0 0 396.407 2.648 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229639 606440883 /nfs/dbraw/zinc/44/08/83/606440883.db2.gz YITYPEMAXBYGQJ-LBPRGKRZSA-N 0 0 381.396 2.644 20 5 GFBDRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820915683 606588809 /nfs/dbraw/zinc/58/88/09/606588809.db2.gz WLMIRCQFEWICRY-SJCJKPOMSA-N 0 0 396.407 2.810 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1csc(Br)c1 ZINC000823624583 606698912 /nfs/dbraw/zinc/69/89/12/606698912.db2.gz DMBUBWWULPBYKE-UHFFFAOYSA-N 0 0 382.203 2.606 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1OCC(F)(F)F ZINC000823624569 606702011 /nfs/dbraw/zinc/70/20/11/606702011.db2.gz CTYOIPUUSQCLDG-UHFFFAOYSA-N 0 0 395.301 2.723 20 5 GFBDRN Cc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)ccc1[N+](=O)[O-] ZINC000822211628 606712947 /nfs/dbraw/zinc/71/29/47/606712947.db2.gz IDVCQNMPYNVCCO-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN Cc1ccc(N2CCC[C@H](Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822242678 606714312 /nfs/dbraw/zinc/71/43/12/606714312.db2.gz UHTYMMIXAVEORY-ZDUSSCGKSA-N 0 0 380.412 2.559 20 5 GFBDRN CN(Cc1cccc(OC(F)(F)F)c1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821614540 606721243 /nfs/dbraw/zinc/72/12/43/606721243.db2.gz KDFCWHDJRBDBLC-UHFFFAOYSA-N 0 0 395.301 2.705 20 5 GFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607582 606850705 /nfs/dbraw/zinc/85/07/05/606850705.db2.gz VCJCGIQPVZPBNB-INIZCTEOSA-N 0 0 388.815 2.594 20 5 GFBDRN Cc1sc(C(=O)OCCCOc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822552940 606945395 /nfs/dbraw/zinc/94/53/95/606945395.db2.gz FZFJJUSQQLDMAA-UHFFFAOYSA-N 0 0 389.393 2.771 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000821845603 606959341 /nfs/dbraw/zinc/95/93/41/606959341.db2.gz IFDYMYIFGBEKOL-UHFFFAOYSA-N 0 0 388.771 2.714 20 5 GFBDRN O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823426422 606989718 /nfs/dbraw/zinc/98/97/18/606989718.db2.gz HWJOVBHDHLQMNI-UHFFFAOYSA-N 0 0 398.354 2.845 20 5 GFBDRN CCS[C@H](C)c1noc(CN(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC000821449315 607042881 /nfs/dbraw/zinc/04/28/81/607042881.db2.gz SAJBIIYBNKZEOE-SECBINFHSA-N 0 0 390.429 2.608 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCc2nc(-c3ccncc3)cs2)c(-c2nn[nH]n2)c1 ZINC000823639754 607110626 /nfs/dbraw/zinc/11/06/26/607110626.db2.gz HCELLNAFBKOCSD-UHFFFAOYSA-N 0 0 394.420 2.948 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(-c4nn[nH]n4)cc3F)o2)cc1 ZINC000823634763 607171847 /nfs/dbraw/zinc/17/18/47/607171847.db2.gz LRRATMCSNZTKNU-UHFFFAOYSA-N 0 0 383.299 2.543 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826272549 607866944 /nfs/dbraw/zinc/86/69/44/607866944.db2.gz PFYXUSYTUNGLJX-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN 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655202899 /nfs/dbraw/zinc/20/28/99/655202899.db2.gz SAFXEGNWTKKNFB-CYBMUJFWSA-N 0 0 382.203 2.867 20 5 GFBDRN O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000113491873 655211185 /nfs/dbraw/zinc/21/11/85/655211185.db2.gz YVQFLGGXTQPTLJ-BDAKNGLRSA-N 0 0 393.248 2.998 20 5 GFBDRN CC(C)OCCN1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839502943 661088227 /nfs/dbraw/zinc/08/82/27/661088227.db2.gz DTHUQKUCZGOBFM-UHFFFAOYSA-N 0 0 386.290 2.900 20 5 GFBDRN COC(=O)C[C@@H]1CSCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839507103 661088635 /nfs/dbraw/zinc/08/86/35/661088635.db2.gz FCIDFIHEZJTESL-LLVKDONJSA-N 0 0 389.271 2.838 20 5 GFBDRN COC(=O)C[C@@]1(NCc2cccc([N+](=O)[O-])c2Br)CCCOC1 ZINC000839561468 661092061 /nfs/dbraw/zinc/09/20/61/661092061.db2.gz SOCMTCOWNAACLV-HNNXBMFYSA-N 0 0 387.230 2.559 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CCc3cnccc32)cc1[N+](=O)[O-] ZINC000176738342 655254343 /nfs/dbraw/zinc/25/43/43/655254343.db2.gz FSKNRCKQORSKOT-UHFFFAOYSA-N 0 0 398.238 2.812 20 5 GFBDRN CS(=O)(=O)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000117631248 655266204 /nfs/dbraw/zinc/26/62/04/655266204.db2.gz SZHIUKAYAHRANV-UHFFFAOYSA-N 0 0 382.825 2.511 20 5 GFBDRN C[C@H](N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000177123294 655269266 /nfs/dbraw/zinc/26/92/66/655269266.db2.gz OEUNPFFAHWYWEO-NSHDSACASA-N 0 0 377.388 2.782 20 5 GFBDRN C[C@H]1SCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1C ZINC000118439937 655276300 /nfs/dbraw/zinc/27/63/00/655276300.db2.gz YATMQAZEOVJBNG-DTWKUNHWSA-N 0 0 395.300 2.872 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118519637 655277149 /nfs/dbraw/zinc/27/71/49/655277149.db2.gz HJVVPZQWTYXWFE-ZDUSSCGKSA-N 0 0 387.223 2.646 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000118977974 655285494 /nfs/dbraw/zinc/28/54/94/655285494.db2.gz PPGQRKDCNPHURH-JTQLQIEISA-N 0 0 397.261 2.975 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000118977878 655285608 /nfs/dbraw/zinc/28/56/08/655285608.db2.gz PPGQRKDCNPHURH-SNVBAGLBSA-N 0 0 397.261 2.975 20 5 GFBDRN C[C@H](Oc1ccc(Br)cc1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177737092 655287217 /nfs/dbraw/zinc/28/72/17/655287217.db2.gz LXOYNNKVARFJIP-JTQLQIEISA-N 0 0 384.186 2.565 20 5 GFBDRN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000119200624 655292739 /nfs/dbraw/zinc/29/27/39/655292739.db2.gz LYIZZTOCMCEVCC-SNVBAGLBSA-N 0 0 384.219 2.983 20 5 GFBDRN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1Br)CC(F)(F)F ZINC000276951227 655294734 /nfs/dbraw/zinc/29/47/34/655294734.db2.gz BYJYYLQIYBFIMQ-UHFFFAOYSA-N 0 0 384.152 2.581 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(c2cccs2)CC1 ZINC000119327886 655298961 /nfs/dbraw/zinc/29/89/61/655298961.db2.gz SBWTWSFCIJZSOL-UHFFFAOYSA-N 0 0 381.479 2.912 20 5 GFBDRN CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000178351707 655301748 /nfs/dbraw/zinc/30/17/48/655301748.db2.gz WGNODNOVVWVYCP-AOOOYVTPSA-N 0 0 375.244 2.634 20 5 GFBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277092518 655302908 /nfs/dbraw/zinc/30/29/08/655302908.db2.gz BOXFYHQKERGFRB-NSHDSACASA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1nn(C)c(NC[C@H](CO)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000277130835 655304680 /nfs/dbraw/zinc/30/46/80/655304680.db2.gz JHJKFPLOUDOVKZ-LLVKDONJSA-N 0 0 383.246 2.662 20 5 GFBDRN O=C(CNC(=O)c1ccc(Br)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000119529235 655305940 /nfs/dbraw/zinc/30/59/40/655305940.db2.gz AQNNLYGIEZXKRF-UHFFFAOYSA-N 0 0 384.211 2.787 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(Br)c2)cs1 ZINC000119666952 655310779 /nfs/dbraw/zinc/31/07/79/655310779.db2.gz CCLRKISVGCXILO-UHFFFAOYSA-N 0 0 377.241 2.897 20 5 GFBDRN Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000179210704 655312160 /nfs/dbraw/zinc/31/21/60/655312160.db2.gz KKPLLBAEFRYYFV-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cs1 ZINC000119872113 655319180 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2.627 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@H]2CC=CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000281132579 655332542 /nfs/dbraw/zinc/33/25/42/655332542.db2.gz OKJOCKPDXWJLBK-NSHDSACASA-N 0 0 382.214 2.829 20 5 GFBDRN CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120243550 655332593 /nfs/dbraw/zinc/33/25/93/655332593.db2.gz ZHOALTZTPADPPT-ZDUSSCGKSA-N 0 0 385.214 2.915 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N(CCO)Cc1ccccc1 ZINC000182659296 655346178 /nfs/dbraw/zinc/34/61/78/655346178.db2.gz CAFZRFWPWQFEEI-UHFFFAOYSA-N 0 0 379.210 2.992 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000121109070 655347688 /nfs/dbraw/zinc/34/76/88/655347688.db2.gz ZUNBSEFUVZXKDM-VIFPVBQESA-N 0 0 395.300 2.873 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C ZINC000121150377 655348155 /nfs/dbraw/zinc/34/81/55/655348155.db2.gz OZBDUYVAWBEJOH-GFCCVEGCSA-N 0 0 395.275 2.697 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000292812975 655354722 /nfs/dbraw/zinc/35/47/22/655354722.db2.gz OZRAFIIFAGTQNG-LBPRGKRZSA-N 0 0 381.479 2.585 20 5 GFBDRN C[NH+](C)CCn1nccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000294127152 655365303 /nfs/dbraw/zinc/36/53/03/655365303.db2.gz PYKJBXVBMUIVMY-UHFFFAOYSA-N 0 0 383.861 2.737 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccc(Br)cc1 ZINC000299541819 655376768 /nfs/dbraw/zinc/37/67/68/655376768.db2.gz UNZIJWLIJKQUSF-UHFFFAOYSA-N 0 0 381.230 2.911 20 5 GFBDRN O=C(CSc1nnnn1CC(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299625326 655377459 /nfs/dbraw/zinc/37/74/59/655377459.db2.gz KIJRMABUMGWNCR-UHFFFAOYSA-N 0 0 396.738 2.528 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccc(Br)n1 ZINC000311703905 655379377 /nfs/dbraw/zinc/37/93/77/655379377.db2.gz UXDXRSNCUHGKEF-UHFFFAOYSA-N 0 0 389.003 2.725 20 5 GFBDRN C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257180 655379966 /nfs/dbraw/zinc/37/99/66/655379966.db2.gz YGHCLKDISROTFR-CBAPKCEASA-N 0 0 381.273 2.530 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000365315704 655393244 /nfs/dbraw/zinc/39/32/44/655393244.db2.gz DVMJPMLBCSZVAL-GFCCVEGCSA-N 0 0 386.495 2.745 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000416584021 655404776 /nfs/dbraw/zinc/40/47/76/655404776.db2.gz ILFUEEONUORIAF-SWLSCSKDSA-N 0 0 382.825 2.745 20 5 GFBDRN CN(Cc1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193776577 655412234 /nfs/dbraw/zinc/41/22/34/655412234.db2.gz MGJFQZSCYJCSLL-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000473844850 655414757 /nfs/dbraw/zinc/41/47/57/655414757.db2.gz CTJKXOSWTLSRTO-LBPRGKRZSA-N 0 0 381.186 2.606 20 5 GFBDRN Cc1cnc([C@@H](C)CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])s1 ZINC000541596169 655421364 /nfs/dbraw/zinc/42/13/64/655421364.db2.gz JWWOEPRZZFEXFI-JTQLQIEISA-N 0 0 384.483 2.826 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000574777635 655430474 /nfs/dbraw/zinc/43/04/74/655430474.db2.gz YLIJJAFQVIKJFY-KGLIPLIRSA-N 0 0 396.241 2.549 20 5 GFBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000264539363 655465919 /nfs/dbraw/zinc/46/59/19/655465919.db2.gz LISIXPJXUGCEQT-UHFFFAOYSA-N 0 0 379.467 2.891 20 5 GFBDRN CC(C)CN1C[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)CC1=O ZINC000840201218 661145967 /nfs/dbraw/zinc/14/59/67/661145967.db2.gz WWEVMWRJXGGHPL-LBPRGKRZSA-N 0 0 399.241 2.905 20 5 GFBDRN CC(C)(C)OC(=O)NCC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840225080 661148173 /nfs/dbraw/zinc/14/81/73/661148173.db2.gz LHSYNAYVZGJXHN-UHFFFAOYSA-N 0 0 389.202 2.925 20 5 GFBDRN O=C(c1c(Cl)cncc1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578835967 655487451 /nfs/dbraw/zinc/48/74/51/655487451.db2.gz KDBNNSOBNSILSE-UHFFFAOYSA-N 0 0 382.207 2.654 20 5 GFBDRN O=C(OCc1cccc([N+](=O)[O-])c1Br)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000840235654 661149359 /nfs/dbraw/zinc/14/93/59/661149359.db2.gz NPVAXNCJHPSHCH-YOGCLGLASA-N 0 0 398.209 2.642 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H](CO)c2ccccc21 ZINC000372726207 563315401 /nfs/dbraw/zinc/31/54/01/563315401.db2.gz MMGGZJIBRZFOII-HZMBPMFUSA-N 0 0 382.825 2.747 20 5 GFBDRN O=C(CSC1CC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000297510197 563328367 /nfs/dbraw/zinc/32/83/67/563328367.db2.gz MFYREQGHUHLHEP-UHFFFAOYSA-N 0 0 399.475 2.718 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](O)CC12CCC2 ZINC000422027944 563328499 /nfs/dbraw/zinc/32/84/99/563328499.db2.gz VYKPYFUWIQTOPM-CYBMUJFWSA-N 0 0 383.242 2.806 20 5 GFBDRN Cc1noc(C2CCC(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000374252815 563366125 /nfs/dbraw/zinc/36/61/25/563366125.db2.gz AICDSQXFBFLCHT-UHFFFAOYSA-N 0 0 386.455 2.890 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000281108678 563366798 /nfs/dbraw/zinc/36/67/98/563366798.db2.gz GCTPZTRMCXTRMV-VIFPVBQESA-N 0 0 378.809 2.577 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN[C@@H](c2cccnc2)C1 ZINC000374375929 563370565 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GFBDRN CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000302730444 563428973 /nfs/dbraw/zinc/42/89/73/563428973.db2.gz RXJNBUAHKJBMLT-GFCCVEGCSA-N 0 0 381.376 2.657 20 5 GFBDRN C[C@H]1CSCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000302728348 563429305 /nfs/dbraw/zinc/42/93/05/563429305.db2.gz PBAMLEROOFRDAO-LLVKDONJSA-N 0 0 380.857 2.983 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@]2(C1)CCCOC2 ZINC000376428787 563441682 /nfs/dbraw/zinc/44/16/82/563441682.db2.gz RLORMHDTRJKVPB-OAHLLOKOSA-N 0 0 376.381 2.598 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2cncc(Br)c2)cccc1[N+](=O)[O-] ZINC000318485178 563443990 /nfs/dbraw/zinc/44/39/90/563443990.db2.gz HKEXLZMXKVJXKO-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN Cc1nc2c(s1)CCC[C@@H]2CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000377226013 563467271 /nfs/dbraw/zinc/46/72/71/563467271.db2.gz YMMNXVLEKPXEPQ-SNVBAGLBSA-N 0 0 382.467 2.539 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC000377840924 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ZINC000391888960 563525107 /nfs/dbraw/zinc/52/51/07/563525107.db2.gz AUPYCJVYHFVVMG-UHFFFAOYSA-N 0 0 376.179 2.971 20 5 GFBDRN Cn1c(C(=O)Nc2ccc3nccnc3c2Br)ccc1[N+](=O)[O-] ZINC000391923487 563525259 /nfs/dbraw/zinc/52/52/59/563525259.db2.gz RQGDBJZVHYWTNW-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN O=C(N[C@H]1CCCOC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285614671 563528620 /nfs/dbraw/zinc/52/86/20/563528620.db2.gz YHKQWMNYSNAXDP-JTQLQIEISA-N 0 0 384.230 2.604 20 5 GFBDRN CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000331073980 563533953 /nfs/dbraw/zinc/53/39/53/563533953.db2.gz KGPACHDJYJLSCR-SNVBAGLBSA-N 0 0 398.257 2.734 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000430133935 563534674 /nfs/dbraw/zinc/53/46/74/563534674.db2.gz FQPYABAJQZKYCM-LBPRGKRZSA-N 0 0 393.237 2.938 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])s1 ZINC000430160790 563537504 /nfs/dbraw/zinc/53/75/04/563537504.db2.gz CEKLKKISLUMQAT-NSHDSACASA-N 0 0 399.266 3.000 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(O)(C(F)F)CC1 ZINC000331186726 563539078 /nfs/dbraw/zinc/53/90/78/563539078.db2.gz TYTAKOSCAAENIJ-UHFFFAOYSA-N 0 0 393.184 2.518 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC=C(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000430332690 563541747 /nfs/dbraw/zinc/54/17/47/563541747.db2.gz ZRCVYTOROFXGHY-UHFFFAOYSA-N 0 0 382.214 2.783 20 5 GFBDRN C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@]1=O ZINC000430371278 563542640 /nfs/dbraw/zinc/54/26/40/563542640.db2.gz WRTYVGCLOBJTJW-JPQMIFPKSA-N 0 0 379.463 2.701 20 5 GFBDRN Cc1cc([C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)ccc1Br ZINC000431130045 563554133 /nfs/dbraw/zinc/55/41/33/563554133.db2.gz RZYUXSFYQBYALA-ZDUSSCGKSA-N 0 0 394.229 2.621 20 5 GFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000286314211 563555615 /nfs/dbraw/zinc/55/56/15/563555615.db2.gz KJLKIUAABQGGNQ-NSHDSACASA-N 0 0 398.135 2.684 20 5 GFBDRN CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nncn1C ZINC000286490850 563562280 /nfs/dbraw/zinc/56/22/80/563562280.db2.gz QLWFCRSLRFTANM-LBPRGKRZSA-N 0 0 382.218 2.613 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3cc(Br)cc(F)c3C2)c1[N+](=O)[O-] ZINC000331988672 563570698 /nfs/dbraw/zinc/57/06/98/563570698.db2.gz OGXWCXLBNWBAGL-UHFFFAOYSA-N 0 0 397.204 2.980 20 5 GFBDRN CC(=O)NC1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000286784424 563575052 /nfs/dbraw/zinc/57/50/52/563575052.db2.gz LGPSKHUGFSWWEI-UHFFFAOYSA-N 0 0 384.230 2.534 20 5 GFBDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337603 563594241 /nfs/dbraw/zinc/59/42/41/563594241.db2.gz WELNLIYIOBBQQT-KCPJHIHWSA-N 0 0 399.241 2.766 20 5 GFBDRN CCc1csc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000434837495 563639264 /nfs/dbraw/zinc/63/92/64/563639264.db2.gz UFBOCGBPRKFYMX-UHFFFAOYSA-N 0 0 382.829 2.565 20 5 GFBDRN Cc1c(NC(=O)N2CC[S@@](=O)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330826 563648128 /nfs/dbraw/zinc/64/81/28/563648128.db2.gz WPQMHJCAWMRHIX-CWMRNNLJSA-N 0 0 390.259 2.650 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1ccc(SC)cc1 ZINC000435606030 563655057 /nfs/dbraw/zinc/65/50/57/563655057.db2.gz JQGNLRFJYHIHPU-UHFFFAOYSA-N 0 0 382.463 2.846 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCn2cc(Br)cn2)c1F ZINC000289075573 563667053 /nfs/dbraw/zinc/66/70/53/563667053.db2.gz HDZBAXYTVNUFKH-UHFFFAOYSA-N 0 0 385.193 2.774 20 5 GFBDRN Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000436225687 563667532 /nfs/dbraw/zinc/66/75/32/563667532.db2.gz YWFCLWVMEPXYFO-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN Cc1c(-c2nc(-c3ccc(Cl)o3)no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000350249483 563670319 /nfs/dbraw/zinc/67/03/19/563670319.db2.gz CEOFWBBAGYZDPT-UHFFFAOYSA-N 0 0 384.757 2.514 20 5 GFBDRN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1nc(-c2cc(Br)cs2)no1 ZINC000436473319 563670838 /nfs/dbraw/zinc/67/08/38/563670838.db2.gz GONLDISHOYMHBG-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[C@@H]1O ZINC000289260109 563673065 /nfs/dbraw/zinc/67/30/65/563673065.db2.gz ABAAICOVOADJQG-LBPRGKRZSA-N 0 0 383.253 2.683 20 5 GFBDRN CN(Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)S(=O)(=O)c1ccccc1 ZINC000350837306 563677886 /nfs/dbraw/zinc/67/78/86/563677886.db2.gz NZDAVMPLJABWLQ-UHFFFAOYSA-N 0 0 380.407 2.527 20 5 GFBDRN CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)S1(=O)=O ZINC000289567357 563678760 /nfs/dbraw/zinc/67/87/60/563678760.db2.gz GNQGWBRYPTZUND-VHSXEESVSA-N 0 0 375.834 2.678 20 5 GFBDRN Cc1c(CC(=O)N(C)CCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000289801646 563687364 /nfs/dbraw/zinc/68/73/64/563687364.db2.gz QFBRDVQQQNPXMK-UHFFFAOYSA-N 0 0 381.230 2.563 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000438963282 563714590 /nfs/dbraw/zinc/71/45/90/563714590.db2.gz NNVODHLBZQOBGI-QWHCGFSZSA-N 0 0 388.873 2.994 20 5 GFBDRN CCOc1ccc(Br)cc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439085644 563716722 /nfs/dbraw/zinc/71/67/22/563716722.db2.gz OEBODLQZCMGBCF-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cnn(C)c1 ZINC000290689522 563718463 /nfs/dbraw/zinc/71/84/63/563718463.db2.gz HPZRCARGLKEORG-SSDOTTSWSA-N 0 0 379.225 2.675 20 5 GFBDRN Cc1cc(Br)cc2c1N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000440193869 563737920 /nfs/dbraw/zinc/73/79/20/563737920.db2.gz OQPBQMXCYVFEBX-HNNXBMFYSA-N 0 0 395.257 2.676 20 5 GFBDRN Cc1n[nH]c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1Br ZINC000414470527 563742745 /nfs/dbraw/zinc/74/27/45/563742745.db2.gz MMGJHAQBKJFUHS-UHFFFAOYSA-N 0 0 389.231 2.806 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3cc(F)cc(Cl)c32)c([N+](=O)[O-])n1 ZINC000414477138 563743219 /nfs/dbraw/zinc/74/32/19/563743219.db2.gz YYGIBJMDRNGCAG-UHFFFAOYSA-N 0 0 388.808 2.745 20 5 GFBDRN CCc1nc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000441695510 563763677 /nfs/dbraw/zinc/76/36/77/563763677.db2.gz RCNAAIYQAIKFMK-UHFFFAOYSA-N 0 0 397.229 2.897 20 5 GFBDRN C[C@H](c1ccc(Br)cc1)S(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291912729 563764995 /nfs/dbraw/zinc/76/49/95/563764995.db2.gz MIUFKJRFVGPRSX-SNVBAGLBSA-N 0 0 388.243 2.730 20 5 GFBDRN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000291949015 563766397 /nfs/dbraw/zinc/76/63/97/563766397.db2.gz UGIPCUZSBKOKKP-QMMMGPOBSA-N 0 0 388.389 2.606 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000292032981 563770414 /nfs/dbraw/zinc/77/04/14/563770414.db2.gz YMRMDUOMCYSYDW-UHFFFAOYSA-N 0 0 387.849 2.550 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000365112136 563774774 /nfs/dbraw/zinc/77/47/74/563774774.db2.gz FYYNEXNHOCKWRD-GFCCVEGCSA-N 0 0 384.845 2.779 20 5 GFBDRN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365198027 563777049 /nfs/dbraw/zinc/77/70/49/563777049.db2.gz PKVJBKMUKYZGAW-BXKDBHETSA-N 0 0 383.223 2.807 20 5 GFBDRN CCS(=O)(=O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292197390 563777866 /nfs/dbraw/zinc/77/78/66/563777866.db2.gz HITXYWJKFBEYOI-UHFFFAOYSA-N 0 0 395.264 2.941 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442915932 563783927 /nfs/dbraw/zinc/78/39/27/563783927.db2.gz ZQAKRKMFOZJCHD-UHFFFAOYSA-N 0 0 375.328 2.829 20 5 GFBDRN CS(=O)(=O)CCCCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292398486 563784819 /nfs/dbraw/zinc/78/48/19/563784819.db2.gz RVTZORAKEWHZOV-UHFFFAOYSA-N 0 0 383.253 2.846 20 5 GFBDRN Cc1cnn([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)c1 ZINC000365628639 563789036 /nfs/dbraw/zinc/78/90/36/563789036.db2.gz WPHXJNYTTONRPD-AWEZNQCLSA-N 0 0 393.241 2.878 20 5 GFBDRN NS(=O)(=O)CCCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000292702284 563793711 /nfs/dbraw/zinc/79/37/11/563793711.db2.gz GCZQLSDBCDHNFM-UHFFFAOYSA-N 0 0 375.756 2.748 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000443274991 563798630 /nfs/dbraw/zinc/79/86/30/563798630.db2.gz RFKNTVWYSVEGBS-CQSZACIVSA-N 0 0 388.804 2.708 20 5 GFBDRN Cc1cccc2c1OC[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C2 ZINC000366366384 563806346 /nfs/dbraw/zinc/80/63/46/563806346.db2.gz YOIFKIYJDBGNIQ-NSHDSACASA-N 0 0 392.209 2.794 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)s1 ZINC000443497077 563806768 /nfs/dbraw/zinc/80/67/68/563806768.db2.gz CHSNKMHWAYZQEC-VIFPVBQESA-N 0 0 377.344 2.635 20 5 GFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@@H]1[C@H]1CCCO1 ZINC000366452596 563809014 /nfs/dbraw/zinc/80/90/14/563809014.db2.gz MDJHUSPRACKDRK-DGCLKSJQSA-N 0 0 384.230 2.782 20 5 GFBDRN CC1(C)CCCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000443986621 563817662 /nfs/dbraw/zinc/81/76/62/563817662.db2.gz ZXGABDXDLKSRNF-UHFFFAOYSA-N 0 0 375.878 2.649 20 5 GFBDRN CC(C)(C)[C@@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416401203 563823129 /nfs/dbraw/zinc/82/31/29/563823129.db2.gz IKGPNEMKBTWMBW-GFCCVEGCSA-N 0 0 384.376 2.689 20 5 GFBDRN CCCCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000293794639 563824191 /nfs/dbraw/zinc/82/41/91/563824191.db2.gz XDGADBYLJDBFQP-CQSZACIVSA-N 0 0 386.495 2.503 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000293809278 563824670 /nfs/dbraw/zinc/82/46/70/563824670.db2.gz DKQBQBRLADQKQW-ZDUSSCGKSA-N 0 0 393.241 2.645 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCOC2=O)CC1 ZINC000366949832 563825790 /nfs/dbraw/zinc/82/57/90/563825790.db2.gz AXQFZXFAHRAXQD-UHFFFAOYSA-N 0 0 397.225 2.835 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000416438482 563828746 /nfs/dbraw/zinc/82/87/46/563828746.db2.gz JZTLBQVWUVSNKJ-ZYHUDNBSSA-N 0 0 382.360 2.850 20 5 GFBDRN CCC(CC)(CO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416449072 563830079 /nfs/dbraw/zinc/83/00/79/563830079.db2.gz VHYDTJFQMSFXJB-UHFFFAOYSA-N 0 0 384.376 2.691 20 5 GFBDRN C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000294071181 563831139 /nfs/dbraw/zinc/83/11/39/563831139.db2.gz ADOGZLFFZXLJKO-AUADJRAKSA-N 0 0 390.259 2.732 20 5 GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294174537 563832976 /nfs/dbraw/zinc/83/29/76/563832976.db2.gz VZXXGXWWWGBAAC-JTQLQIEISA-N 0 0 386.246 2.640 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@]12CCOC2 ZINC000416481730 563835837 /nfs/dbraw/zinc/83/58/37/563835837.db2.gz VVKAOWUAKZBFMU-ZDUSSCGKSA-N 0 0 380.344 2.557 20 5 GFBDRN CO[C@H]([C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498637 563839330 /nfs/dbraw/zinc/83/93/30/563839330.db2.gz XYSMMIQEXJCSBS-ISVAXAHUSA-N 0 0 382.360 2.705 20 5 GFBDRN C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000445001725 563841124 /nfs/dbraw/zinc/84/11/24/563841124.db2.gz WCUOHLZBRBAJJY-VIFPVBQESA-N 0 0 396.197 2.655 20 5 GFBDRN COc1cccc2c1C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000416550399 563846834 /nfs/dbraw/zinc/84/68/34/563846834.db2.gz QTVDGJNQDXIDNI-NSHDSACASA-N 0 0 382.825 2.703 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000367559060 563848706 /nfs/dbraw/zinc/84/87/06/563848706.db2.gz ISRDHWFXHXTTHR-NWDGAFQWSA-N 0 0 378.809 2.719 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000367671213 563851553 /nfs/dbraw/zinc/85/15/53/563851553.db2.gz UPRNQCMMIUPJSE-CABCVRRESA-N 0 0 399.241 2.686 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000416598769 563852093 /nfs/dbraw/zinc/85/20/93/563852093.db2.gz UCJPMQDHRVBXIO-ZFWWWQNUSA-N 0 0 382.825 2.745 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)[C@H](C)O1 ZINC000445745699 563853742 /nfs/dbraw/zinc/85/37/42/563853742.db2.gz UMFCKARFBAWCLK-UTLUCORTSA-N 0 0 382.360 2.800 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000445738738 563853886 /nfs/dbraw/zinc/85/38/86/563853886.db2.gz ALVGDRMKAVEMJA-BBBLOLIVSA-N 0 0 393.259 2.544 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCO[C@H](CF)C1 ZINC000417111118 563868253 /nfs/dbraw/zinc/86/82/53/563868253.db2.gz LIUTZEIRJHNRSG-GFCCVEGCSA-N 0 0 376.182 2.950 20 5 GFBDRN O=C(c1cc(Br)ccc1O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412179 563870131 /nfs/dbraw/zinc/87/01/31/563870131.db2.gz LERKUYOLIINAEF-NSHDSACASA-N 0 0 395.213 2.737 20 5 GFBDRN CN(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446941212 563870264 /nfs/dbraw/zinc/87/02/64/563870264.db2.gz JCTQKBCZCBBPCI-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN CCCCOCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446945223 563871117 /nfs/dbraw/zinc/87/11/17/563871117.db2.gz DABOZSSEJPTXLF-UHFFFAOYSA-N 0 0 395.275 2.842 20 5 GFBDRN CCOC(=O)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000447328690 563880191 /nfs/dbraw/zinc/88/01/91/563880191.db2.gz BMMWYVZKIXDECJ-UHFFFAOYSA-N 0 0 382.423 2.662 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H]1CCSC1 ZINC000447806892 563887109 /nfs/dbraw/zinc/88/71/09/563887109.db2.gz OYLQYSMRBWWTNI-ZDUSSCGKSA-N 0 0 385.511 2.934 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCOC)[C@H]1CCCSC1 ZINC000447944873 563892016 /nfs/dbraw/zinc/89/20/16/563892016.db2.gz OFSKZCZXMSYTIC-HNNXBMFYSA-N 0 0 388.511 2.690 20 5 GFBDRN Cc1cc(NCc2cc(Br)c3c(c2)OCCO3)ncc1[N+](=O)[O-] ZINC000470859768 564179346 /nfs/dbraw/zinc/17/93/46/564179346.db2.gz PMFWEAUAGIGXMZ-UHFFFAOYSA-N 0 0 380.198 2.866 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000471104908 564185565 /nfs/dbraw/zinc/18/55/65/564185565.db2.gz SYGXYLBAHKQYSB-UHFFFAOYSA-N 0 0 384.435 2.770 20 5 GFBDRN Cc1sc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1CS(C)(=O)=O ZINC000471222686 564189871 /nfs/dbraw/zinc/18/98/71/564189871.db2.gz KNPUMWOWAFKFLY-UHFFFAOYSA-N 0 0 382.463 2.782 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000539336874 564216647 /nfs/dbraw/zinc/21/66/47/564216647.db2.gz KIJONPRAKSOUKO-UHFFFAOYSA-N 0 0 380.451 2.832 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCNC(=O)c1ccc(Br)cc1 ZINC000564043876 564217693 /nfs/dbraw/zinc/21/76/93/564217693.db2.gz JUKPEPLSUGEKLX-UHFFFAOYSA-N 0 0 396.245 2.724 20 5 GFBDRN O=C(Nc1ccncc1Br)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000507222740 564222352 /nfs/dbraw/zinc/22/23/52/564222352.db2.gz CWKYFLUFHDFJFP-UHFFFAOYSA-N 0 0 377.198 2.764 20 5 GFBDRN CC(C)C[C@@H](CN1CCCC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450599582 564240267 /nfs/dbraw/zinc/24/02/67/564240267.db2.gz STYJRFVJSSGGRE-LBPRGKRZSA-N 0 0 375.516 2.982 20 5 GFBDRN NS(=O)(=O)c1ccc(OCc2cscc2Br)c([N+](=O)[O-])c1 ZINC000564629262 564242673 /nfs/dbraw/zinc/24/26/73/564242673.db2.gz YIAVXALPHWVZPU-UHFFFAOYSA-N 0 0 393.240 2.645 20 5 GFBDRN Cc1cc(N2CCN(Cc3cnn(C)c3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473524301 564249226 /nfs/dbraw/zinc/24/92/26/564249226.db2.gz NRKFPZKPFKRTJD-UHFFFAOYSA-N 0 0 394.273 2.721 20 5 GFBDRN CNc1nccc(C(=O)NC(C)(C)c2ccccc2Br)c1[N+](=O)[O-] ZINC000565188416 564269406 /nfs/dbraw/zinc/26/94/06/564269406.db2.gz BTPSOLFRKSTNLI-UHFFFAOYSA-N 0 0 393.241 2.881 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000541286536 564272680 /nfs/dbraw/zinc/27/26/80/564272680.db2.gz USTZXGURWFQBRA-UHFFFAOYSA-N 0 0 386.246 2.619 20 5 GFBDRN COc1ncc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1Cl ZINC000541289062 564273572 /nfs/dbraw/zinc/27/35/72/564273572.db2.gz DFNZYHWFVQPZQF-UHFFFAOYSA-N 0 0 388.605 2.933 20 5 GFBDRN CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000474350116 564274946 /nfs/dbraw/zinc/27/49/46/564274946.db2.gz AYDGIYGBCNKDBV-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Br)cc1F ZINC000565336042 564276199 /nfs/dbraw/zinc/27/61/99/564276199.db2.gz KGVCTTJUOQPNES-ZETCQYMHSA-N 0 0 383.177 2.965 20 5 GFBDRN NC(=O)c1ccnc(NCCCOc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000565337696 564276212 /nfs/dbraw/zinc/27/62/12/564276212.db2.gz ZJSIINUFYQOYRP-UHFFFAOYSA-N 0 0 385.207 2.698 20 5 GFBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000474572014 564281714 /nfs/dbraw/zinc/28/17/14/564281714.db2.gz DJQXDRBQKQXFGU-MRVPVSSYSA-N 0 0 399.222 2.989 20 5 GFBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474588225 564282564 /nfs/dbraw/zinc/28/25/64/564282564.db2.gz BBPZJZFOEODONL-LLVKDONJSA-N 0 0 393.193 2.927 20 5 GFBDRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCSC1 ZINC000475020313 564297238 /nfs/dbraw/zinc/29/72/38/564297238.db2.gz XVNOGOQWPPCDLE-VIFPVBQESA-N 0 0 399.475 2.576 20 5 GFBDRN CC(C)SCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000509658229 564308288 /nfs/dbraw/zinc/30/82/88/564308288.db2.gz NBSJJFNVLKFDIU-UHFFFAOYSA-N 0 0 390.259 2.554 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc2ncsc2c1 ZINC000475569319 564312483 /nfs/dbraw/zinc/31/24/83/564312483.db2.gz WVOIUMHSYFOHOT-UHFFFAOYSA-N 0 0 378.435 2.595 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000451590539 564329313 /nfs/dbraw/zinc/32/93/13/564329313.db2.gz YSLYWDRKBYFMTH-QMMMGPOBSA-N 0 0 376.797 2.643 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451652448 564336481 /nfs/dbraw/zinc/33/64/81/564336481.db2.gz ZEEGVWQPWWGLMB-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000476397215 564337682 /nfs/dbraw/zinc/33/76/82/564337682.db2.gz OKUCVRBGNAJGEZ-UHFFFAOYSA-N 0 0 393.241 2.943 20 5 GFBDRN COC(=O)c1cc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c(C)o1 ZINC000543147175 564339308 /nfs/dbraw/zinc/33/93/08/564339308.db2.gz WGDCOJJELUKSPE-UHFFFAOYSA-N 0 0 385.170 2.564 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000543138203 564339506 /nfs/dbraw/zinc/33/95/06/564339506.db2.gz FIECFHADZTWSFV-UHFFFAOYSA-N 0 0 378.479 2.948 20 5 GFBDRN CCC(CC)(NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000510611840 564340457 /nfs/dbraw/zinc/34/04/57/564340457.db2.gz AZHVHFGTMXZIRR-UHFFFAOYSA-N 0 0 378.834 2.567 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000451699994 564341220 /nfs/dbraw/zinc/34/12/20/564341220.db2.gz WMOSMQSIOSPLCV-GFCCVEGCSA-N 0 0 393.259 2.512 20 5 GFBDRN CC(C)C[C@@H](CO)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000476613314 564347369 /nfs/dbraw/zinc/34/73/69/564347369.db2.gz SVARMHVTBPPLML-JTQLQIEISA-N 0 0 385.269 2.929 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000451748555 564347949 /nfs/dbraw/zinc/34/79/49/564347949.db2.gz YTFNVCCMOFDWAO-OAHLLOKOSA-N 0 0 384.841 2.911 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000566947464 564350969 /nfs/dbraw/zinc/35/09/69/564350969.db2.gz QYPWEHFXPQGEJJ-BLLLJJGKSA-N 0 0 378.226 2.752 20 5 GFBDRN Cc1cccc(OC[C@@H](O)CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000543449935 564351351 /nfs/dbraw/zinc/35/13/51/564351351.db2.gz WLMPXBKMGXZUCI-LBPRGKRZSA-N 0 0 396.241 2.643 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2ccncc21 ZINC000543567763 564354379 /nfs/dbraw/zinc/35/43/79/564354379.db2.gz AKVNVPSYUMYGRK-UHFFFAOYSA-N 0 0 395.156 2.797 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000476895355 564357419 /nfs/dbraw/zinc/35/74/19/564357419.db2.gz YBEUOFVLZVZIKG-UHFFFAOYSA-N 0 0 384.464 2.628 20 5 GFBDRN COc1ccc(CS(=O)(=O)Cc2csc([C@@H](C)OC)n2)cc1[N+](=O)[O-] ZINC000476894312 564357612 /nfs/dbraw/zinc/35/76/12/564357612.db2.gz VPMWHIADUZTOHJ-SNVBAGLBSA-N 0 0 386.451 2.882 20 5 GFBDRN CCO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000451846712 564358624 /nfs/dbraw/zinc/35/86/24/564358624.db2.gz RMKNCPRJTODXDK-MEBBXXQBSA-N 0 0 376.862 2.992 20 5 GFBDRN CCO[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000451846711 564358641 /nfs/dbraw/zinc/35/86/41/564358641.db2.gz RMKNCPRJTODXDK-BONVTDFDSA-N 0 0 376.862 2.992 20 5 GFBDRN O=C(Cc1ccccc1Br)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477041420 564362700 /nfs/dbraw/zinc/36/27/00/564362700.db2.gz DVVJNCMQGMJMAB-UHFFFAOYSA-N 0 0 398.234 2.943 20 5 GFBDRN CCc1ccc(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000567265377 564363828 /nfs/dbraw/zinc/36/38/28/564363828.db2.gz OTKCWGXLNRRRBH-UHFFFAOYSA-N 0 0 384.483 2.785 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2C2CC2)c2ncccc12 ZINC000451909833 564365371 /nfs/dbraw/zinc/36/53/71/564365371.db2.gz OBCRBGXKINAQOP-CQSZACIVSA-N 0 0 379.463 2.659 20 5 GFBDRN CNS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000477116755 564365413 /nfs/dbraw/zinc/36/54/13/564365413.db2.gz RPOPBELKXZJZJJ-UHFFFAOYSA-N 0 0 387.820 2.950 20 5 GFBDRN O=C(Nc1ccncc1Br)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000543853225 564366846 /nfs/dbraw/zinc/36/68/46/564366846.db2.gz IAUZLJFTZAKRNX-UHFFFAOYSA-N 0 0 388.181 2.612 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2cc(Br)ccc2F)no1 ZINC000567481032 564373933 /nfs/dbraw/zinc/37/39/33/564373933.db2.gz TZRFIDICNYPCRV-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000511777785 564382401 /nfs/dbraw/zinc/38/24/01/564382401.db2.gz OVFBHOHRMIJTBT-UHFFFAOYSA-N 0 0 395.198 2.851 20 5 GFBDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544791629 564399396 /nfs/dbraw/zinc/39/93/96/564399396.db2.gz PISUNZPARPTQLV-QMMMGPOBSA-N 0 0 397.204 2.835 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCOCCc2ccccc2)s1 ZINC000512774558 564410417 /nfs/dbraw/zinc/41/04/17/564410417.db2.gz GEMSCWGYBUUTDO-UHFFFAOYSA-N 0 0 384.479 2.974 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000513480380 564431101 /nfs/dbraw/zinc/43/11/01/564431101.db2.gz BBIIVGORIXHMIB-LBPRGKRZSA-N 0 0 378.431 2.575 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452846220 564434315 /nfs/dbraw/zinc/43/43/15/564434315.db2.gz LUPXPKFZIWCESS-GFCCVEGCSA-N 0 0 379.214 2.570 20 5 GFBDRN CCO[C@@H]1COCC[C@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000546053321 564442014 /nfs/dbraw/zinc/44/20/14/564442014.db2.gz LKKXJSFHAHJUJA-UKRRQHHQSA-N 0 0 396.241 2.933 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCNC(=O)c1cccc(Br)c1 ZINC000569381808 564460927 /nfs/dbraw/zinc/46/09/27/564460927.db2.gz WBBRWFCJYUFOCX-UHFFFAOYSA-N 0 0 396.245 2.724 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@H](C)C(C)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000453835464 564475575 /nfs/dbraw/zinc/47/55/75/564475575.db2.gz RSTAOXQYWXGSKA-ZETCQYMHSA-N 0 0 394.172 2.764 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@H](C)C(C)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000453835462 564475846 /nfs/dbraw/zinc/47/58/46/564475846.db2.gz RSTAOXQYWXGSKA-SSDOTTSWSA-N 0 0 394.172 2.764 20 5 GFBDRN Cc1ccc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)c(Br)c1 ZINC000547101140 564477606 /nfs/dbraw/zinc/47/76/06/564477606.db2.gz JAVJTGRWTVXRGI-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cc1sc(NC(=O)[C@H]2CCCS2(=O)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000570055025 564489643 /nfs/dbraw/zinc/48/96/43/564489643.db2.gz IKCULFDPZWHRBT-GFCCVEGCSA-N 0 0 381.435 2.542 20 5 GFBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480856601 564491760 /nfs/dbraw/zinc/49/17/60/564491760.db2.gz MVOHAEISOFEHAY-JTQLQIEISA-N 0 0 383.813 2.554 20 5 GFBDRN NC(=O)c1ccc(CNc2cc(C(N)=O)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000516198396 564495869 /nfs/dbraw/zinc/49/58/69/564495869.db2.gz PYTQLXLKJIKCJP-UHFFFAOYSA-N 0 0 383.191 2.712 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(Cc2ccc(Br)c(F)c2)no1 ZINC000570245152 564498125 /nfs/dbraw/zinc/49/81/25/564498125.db2.gz JQMCOQVRRQDCGR-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000517011783 564520715 /nfs/dbraw/zinc/52/07/15/564520715.db2.gz XOHWUCQIBUJWLA-LURJTMIESA-N 0 0 384.120 2.973 20 5 GFBDRN CCOCCOc1ccc(Br)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000517018927 564521551 /nfs/dbraw/zinc/52/15/51/564521551.db2.gz YKVPADMHJDKZJD-UHFFFAOYSA-N 0 0 399.201 2.748 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H](CO)CC2)c1 ZINC000517952046 564543771 /nfs/dbraw/zinc/54/37/71/564543771.db2.gz BHNCJDHTAXGJLG-NSHDSACASA-N 0 0 390.221 2.794 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000571386442 564549208 /nfs/dbraw/zinc/54/92/08/564549208.db2.gz WLCCQANAPMRDGZ-SNVBAGLBSA-N 0 0 385.136 2.661 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br ZINC000548380156 564550041 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CCn1ccnc1[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456346505 564601394 /nfs/dbraw/zinc/60/13/94/564601394.db2.gz HGPNZSQXQZTPGO-SNVBAGLBSA-N 0 0 381.230 2.994 20 5 GFBDRN COc1cc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000549945935 564610604 /nfs/dbraw/zinc/61/06/04/564610604.db2.gz OAIYUPASHWVYDB-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN CCCN(CCN1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000520860408 564615032 /nfs/dbraw/zinc/61/50/32/564615032.db2.gz YPLPMHYRDLDPRT-UHFFFAOYSA-N 0 0 375.516 2.762 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456714044 564627169 /nfs/dbraw/zinc/62/71/69/564627169.db2.gz WJQVVIQIJZMBER-HQJQHLMTSA-N 0 0 397.147 2.743 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000485960674 564633737 /nfs/dbraw/zinc/63/37/37/564633737.db2.gz VLPSDDFFBCMQNC-LBPRGKRZSA-N 0 0 381.237 2.701 20 5 GFBDRN C[S@@](=O)Cc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000522022247 564642256 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GFBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000552153394 564679854 /nfs/dbraw/zinc/67/98/54/564679854.db2.gz QTIZWHPDVPVIKF-UHFFFAOYSA-N 0 0 385.605 2.932 20 5 GFBDRN COc1cccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000487295802 564681911 /nfs/dbraw/zinc/68/19/11/564681911.db2.gz NKLFOFJSLAFHII-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1n[nH]cc1Br ZINC000524838756 564687952 /nfs/dbraw/zinc/68/79/52/564687952.db2.gz BTJLTZFWAPFXOU-UHFFFAOYSA-N 0 0 396.245 2.903 20 5 GFBDRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174397 564694135 /nfs/dbraw/zinc/69/41/35/564694135.db2.gz GSANHEXXMWSFRD-UHFFFAOYSA-N 0 0 386.227 2.968 20 5 GFBDRN Cc1cnc(N[C@H]2CN(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000488713972 564718197 /nfs/dbraw/zinc/71/81/97/564718197.db2.gz MNWXAZONTYTBLU-LBPRGKRZSA-N 0 0 377.198 2.888 20 5 GFBDRN COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000553539291 564725145 /nfs/dbraw/zinc/72/51/45/564725145.db2.gz ZBLZAJKBUPOPAS-IAQYHMDHSA-N 0 0 390.845 2.648 20 5 GFBDRN COc1ccc(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)cc1Br ZINC000489091015 564729118 /nfs/dbraw/zinc/72/91/18/564729118.db2.gz YIVODUUUYUNZOD-UHFFFAOYSA-N 0 0 381.182 2.719 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000489199947 564732191 /nfs/dbraw/zinc/73/21/91/564732191.db2.gz YQHIUXJFFCOLLL-GFCCVEGCSA-N 0 0 388.511 2.896 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000489314327 564734851 /nfs/dbraw/zinc/73/48/51/564734851.db2.gz BMWOYWJTCPGFJA-UHFFFAOYSA-N 0 0 380.817 2.854 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCc2nnc(C(C)C)s2)c1C ZINC000490456333 564772613 /nfs/dbraw/zinc/77/26/13/564772613.db2.gz ZCLIMBIURQAVGS-UHFFFAOYSA-N 0 0 384.483 2.708 20 5 GFBDRN O=c1c(Br)cn(Cc2cncc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000460868229 564782983 /nfs/dbraw/zinc/78/29/83/564782983.db2.gz IAMVZSSGABYBLT-UHFFFAOYSA-N 0 0 378.104 2.981 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]2F)cc(Br)cc1[N+](=O)[O-] ZINC000491300057 564789332 /nfs/dbraw/zinc/78/93/32/564789332.db2.gz DYUNJOBVHRGXGN-ZJUUUORDSA-N 0 0 388.193 2.611 20 5 GFBDRN O=C(CNc1ccccc1[N+](=O)[O-])NCCNc1cccc(Br)c1 ZINC000491551988 564792559 /nfs/dbraw/zinc/79/25/59/564792559.db2.gz FBAXZHNPRIOCQM-UHFFFAOYSA-N 0 0 393.241 2.998 20 5 GFBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(I)c[nH]1 ZINC000461264903 564792539 /nfs/dbraw/zinc/79/25/39/564792539.db2.gz PHCQGNVECKDFMU-UHFFFAOYSA-N 0 0 385.161 2.500 20 5 GFBDRN NC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000555529959 564795706 /nfs/dbraw/zinc/79/57/06/564795706.db2.gz JMQLMLASFSONKF-UHFFFAOYSA-N 0 0 390.204 2.801 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000555531768 564796602 /nfs/dbraw/zinc/79/66/02/564796602.db2.gz ZRDUCWPNQLNVBK-SNVBAGLBSA-N 0 0 384.219 2.878 20 5 GFBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCn1cc(Br)cn1 ZINC000581393383 564800826 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20 5 GFBDRN CNC(=O)[C@H]1CCC[C@@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000497555000 564871099 /nfs/dbraw/zinc/87/10/99/564871099.db2.gz PBKLBTJYOXOQQX-GWCFXTLKSA-N 0 0 393.241 2.654 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1Cc1ccccc1Br ZINC000583197708 564880195 /nfs/dbraw/zinc/88/01/95/564880195.db2.gz FXIOYLKQKIDMBL-NSHDSACASA-N 0 0 379.214 2.928 20 5 GFBDRN Cc1cscc1CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557997639 564887722 /nfs/dbraw/zinc/88/77/22/564887722.db2.gz KOZOPCYNDGBXAZ-UHFFFAOYSA-N 0 0 381.841 2.593 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCOc1ccc(F)cc1F ZINC000530904218 564898007 /nfs/dbraw/zinc/89/80/07/564898007.db2.gz BYYFELVNQPFTFN-UHFFFAOYSA-N 0 0 392.767 2.884 20 5 GFBDRN Cc1cc(Cc2noc(Cn3ccc([N+](=O)[O-])n3)n2)ccc1Br ZINC000583664291 564901312 /nfs/dbraw/zinc/90/13/12/564901312.db2.gz SASWVECTEGKGEV-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](O)C(F)(F)F ZINC000498575380 564902815 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GFBDRN C[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1(C)C ZINC000532615953 564941533 /nfs/dbraw/zinc/94/15/33/564941533.db2.gz NLGBIAZWCUGMFH-VIFPVBQESA-N 0 0 382.360 2.802 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCC(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000560018072 564944601 /nfs/dbraw/zinc/94/46/01/564944601.db2.gz AMIKLRDUDQOWMI-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000467043399 564954634 /nfs/dbraw/zinc/95/46/34/564954634.db2.gz FOCYFLXGYISYSE-LBPRGKRZSA-N 0 0 384.483 2.578 20 5 GFBDRN CO[C@@H](C)c1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000467077738 564955400 /nfs/dbraw/zinc/95/54/00/564955400.db2.gz DIJWNXNFJFALRJ-ZETCQYMHSA-N 0 0 377.469 2.607 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000467398701 564961952 /nfs/dbraw/zinc/96/19/52/564961952.db2.gz ANIDXJLBJNEPHW-OAHLLOKOSA-N 0 0 382.463 2.899 20 5 GFBDRN CC(=O)NC1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501070920 564969110 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Cn1c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)ccc1[N+](=O)[O-] ZINC000501378116 564978178 /nfs/dbraw/zinc/97/81/78/564978178.db2.gz UEMCQGJMNGBNLJ-JTQLQIEISA-N 0 0 384.161 2.698 20 5 GFBDRN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000561043340 564981726 /nfs/dbraw/zinc/98/17/26/564981726.db2.gz SJUJLRPTQCXNDB-ZDUSSCGKSA-N 0 0 388.873 2.607 20 5 GFBDRN Cn1ccnc1[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000561123233 564984956 /nfs/dbraw/zinc/98/49/56/564984956.db2.gz GNWFBECYMHNGPV-HNNXBMFYSA-N 0 0 393.241 2.901 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCOc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000468877351 564997580 /nfs/dbraw/zinc/99/75/80/564997580.db2.gz HLPCBVDHRYEEEB-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN CNC(=O)c1ccc(N[C@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000502799037 565005089 /nfs/dbraw/zinc/00/50/89/565005089.db2.gz GMTMHHQMJKJABH-CQSZACIVSA-N 0 0 394.225 2.862 20 5 GFBDRN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1nc(-c2ccco2)cs1 ZINC000502854886 565007569 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CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000537471304 565058867 /nfs/dbraw/zinc/05/88/67/565058867.db2.gz LATVRDPFHUMFPC-LBPRGKRZSA-N 0 0 386.495 2.794 20 5 GFBDRN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000585756921 565108881 /nfs/dbraw/zinc/10/88/81/565108881.db2.gz QYSBANCNYAXSNX-SECBINFHSA-N 0 0 393.197 2.568 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000585760029 565109275 /nfs/dbraw/zinc/10/92/75/565109275.db2.gz JFGYPLLEHGRRQJ-NOZJJQNGSA-N 0 0 382.214 2.697 20 5 GFBDRN C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000586849812 565119294 /nfs/dbraw/zinc/11/92/94/565119294.db2.gz FOJZLYRPIIECCR-JTQLQIEISA-N 0 0 381.841 2.846 20 5 GFBDRN Nc1cc(N2CCOc3ccc(Br)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588044282 565124123 /nfs/dbraw/zinc/12/41/23/565124123.db2.gz PULMBSDJZIUUHZ-UHFFFAOYSA-N 0 0 394.225 2.831 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000588144369 565128733 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GFBDRN CC(C)(NS(=O)(=O)c1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000589932667 565173980 /nfs/dbraw/zinc/17/39/80/565173980.db2.gz RNJOQVKIBQGQSR-UHFFFAOYSA-N 0 0 378.435 2.813 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1n[nH]c2[nH]c(=O)ccc12 ZINC000590554813 565191352 /nfs/dbraw/zinc/19/13/52/565191352.db2.gz FUMJPOOGCHGPDL-UHFFFAOYSA-N 0 0 392.169 2.515 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000590551338 565192025 /nfs/dbraw/zinc/19/20/25/565192025.db2.gz UWSLDUXZFABPKB-NSHDSACASA-N 0 0 383.451 2.579 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H](O)C(F)(F)F ZINC000616397147 565199072 /nfs/dbraw/zinc/19/90/72/565199072.db2.gz FPHIGWGMJXSULE-SNVBAGLBSA-N 0 0 380.120 2.663 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000590761483 565201906 /nfs/dbraw/zinc/20/19/06/565201906.db2.gz CORUKWCPGFVQCZ-UWVGGRQHSA-N 0 0 382.360 2.955 20 5 GFBDRN Cn1ncc2c1CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000591087665 565215210 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/nfs/dbraw/zinc/24/79/50/552247950.db2.gz KKKSVLKAASMGME-CQSZACIVSA-N 0 0 383.173 2.960 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1CO ZINC000182388439 552282742 /nfs/dbraw/zinc/28/27/42/552282742.db2.gz QFJOJKVOVSGIEM-OAHLLOKOSA-N 0 0 382.825 2.529 20 5 GFBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CS(=O)(=O)Cc1cccc(Cl)c1 ZINC000182487376 552285488 /nfs/dbraw/zinc/28/54/88/552285488.db2.gz DSUGVKHTXLDUBJ-AWEZNQCLSA-N 0 0 385.825 2.603 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000182728528 552291281 /nfs/dbraw/zinc/29/12/81/552291281.db2.gz RTTOASYXKJGAGD-AWEZNQCLSA-N 0 0 392.209 2.656 20 5 GFBDRN Cc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183460534 552309849 /nfs/dbraw/zinc/30/98/49/552309849.db2.gz BIKVODQINCDIPV-UHFFFAOYSA-N 0 0 398.160 2.737 20 5 GFBDRN Cc1nccn1CCCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183730759 552318024 /nfs/dbraw/zinc/31/80/24/552318024.db2.gz HOYYFHVEXBGRLD-UHFFFAOYSA-N 0 0 386.861 2.820 20 5 GFBDRN CC(C)c1nncn1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184799965 552344848 /nfs/dbraw/zinc/34/48/48/552344848.db2.gz QMDOXSQGQUQQIR-UHFFFAOYSA-N 0 0 382.218 2.502 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCSC[C@@H]1c1nccs1 ZINC000185407749 552362673 /nfs/dbraw/zinc/36/26/73/552362673.db2.gz XOAWZAPTVTXBQP-CYBMUJFWSA-N 0 0 385.492 2.671 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000186354251 552385736 /nfs/dbraw/zinc/38/57/36/552385736.db2.gz JWQOIWBIXOHCKJ-JTQLQIEISA-N 0 0 380.706 2.749 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Br)cc(C)c1N ZINC000186519147 552390376 /nfs/dbraw/zinc/39/03/76/552390376.db2.gz ABEZXIXWJCLLRD-UHFFFAOYSA-N 0 0 382.218 2.782 20 5 GFBDRN COC[C@@H](C)n1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000186563225 552391146 /nfs/dbraw/zinc/39/11/46/552391146.db2.gz AWFJPIGZYLJXIQ-SNVBAGLBSA-N 0 0 397.229 2.942 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cs1 ZINC000186779405 552397720 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Cc1ccccc1C[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000190566181 552501201 /nfs/dbraw/zinc/50/12/01/552501201.db2.gz GTVAELYEUNXKKD-OAHLLOKOSA-N 0 0 393.237 2.999 20 5 GFBDRN Cc1cc(F)c(Br)cc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000190909780 552513244 /nfs/dbraw/zinc/51/32/44/552513244.db2.gz AKJUGCAWGMDYEA-UHFFFAOYSA-N 0 0 386.181 2.823 20 5 GFBDRN O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000191409947 552527684 /nfs/dbraw/zinc/52/76/84/552527684.db2.gz URXRMOKKUDALAL-IONNQARKSA-N 0 0 377.622 2.902 20 5 GFBDRN COC(=O)[C@H](C)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000192089101 552550488 /nfs/dbraw/zinc/55/04/88/552550488.db2.gz JKESCPKPPQELEM-VIFPVBQESA-N 0 0 385.214 2.914 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(Cl)c1Br ZINC000192270053 552557846 /nfs/dbraw/zinc/55/78/46/552557846.db2.gz RXBSJLOXVBNKIM-UHFFFAOYSA-N 0 0 386.589 2.811 20 5 GFBDRN C[C@H]1CCSCCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000192353068 552561011 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CCS(=O)(=O)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000195302129 553044262 /nfs/dbraw/zinc/04/42/62/553044262.db2.gz LCKSQPMQGFRADK-UHFFFAOYSA-N 0 0 382.463 2.849 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000237698991 553080350 /nfs/dbraw/zinc/08/03/50/553080350.db2.gz MDSMZFSXMMIIDY-VIFPVBQESA-N 0 0 382.269 2.570 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000249366757 553142109 /nfs/dbraw/zinc/14/21/09/553142109.db2.gz ONCMCJHUBLRTJK-CHIMOYNISA-N 0 0 397.225 2.771 20 5 GFBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)ncn1 ZINC000564613832 564241853 /nfs/dbraw/zinc/24/18/53/564241853.db2.gz DLNVSTSHSDPKBM-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN CSCC[C@@H]1NC(=O)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1=O ZINC000418760138 563224502 /nfs/dbraw/zinc/22/45/02/563224502.db2.gz IWLGEUUJBQVZQX-NSHDSACASA-N 0 0 377.344 2.787 20 5 GFBDRN COCC1(C)CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418924377 563230989 /nfs/dbraw/zinc/23/09/89/563230989.db2.gz PEHSGQYWECXQFR-UHFFFAOYSA-N 0 0 391.209 2.847 20 5 GFBDRN CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000370113681 563234048 /nfs/dbraw/zinc/23/40/48/563234048.db2.gz SEZWBCRJJAKTJI-UONOGXRCSA-N 0 0 383.246 2.732 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000295197464 563234939 /nfs/dbraw/zinc/23/49/39/563234939.db2.gz BJWLRDYPMVDQSC-NXEZZACHSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1c([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cnn1C ZINC000295227028 563236954 /nfs/dbraw/zinc/23/69/54/563236954.db2.gz SCWGRJRUYHMYSQ-SSDOTTSWSA-N 0 0 393.252 2.983 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295387682 563245196 /nfs/dbraw/zinc/24/51/96/563245196.db2.gz REZXRNBDOYZAKP-LLVKDONJSA-N 0 0 376.862 2.728 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2noc(-c3cc4c(s3)CCS(=O)(=O)C4)n2)c1 ZINC000370538148 563247819 /nfs/dbraw/zinc/24/78/19/563247819.db2.gz JOJJWWVOEOUCDE-UHFFFAOYSA-N 0 0 377.403 2.844 20 5 GFBDRN CCO/C=C/[C@@](O)(CNc1ncnc2sc([N+](=O)[O-])cc21)C(F)(F)F ZINC000295727704 563260333 /nfs/dbraw/zinc/26/03/33/563260333.db2.gz VLUKQOCFJRDOTL-AAOUONPWSA-N 0 0 378.332 2.855 20 5 GFBDRN CC1(C)CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000420624112 563268246 /nfs/dbraw/zinc/26/82/46/563268246.db2.gz KIBFCFJUHAAQNU-NSHDSACASA-N 0 0 396.241 2.882 20 5 GFBDRN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420764250 563285003 /nfs/dbraw/zinc/28/50/03/563285003.db2.gz UHHVJIBWFRAHKA-WDEREUQCSA-N 0 0 390.483 2.787 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H]1c1cccc(Br)c1 ZINC000371752351 563286740 /nfs/dbraw/zinc/28/67/40/563286740.db2.gz GZNXXOVQEKEQLB-AWEZNQCLSA-N 0 0 394.229 2.710 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC000371826411 563288828 /nfs/dbraw/zinc/28/88/28/563288828.db2.gz IIJBZBOPLQXSEX-SECBINFHSA-N 0 0 381.797 2.972 20 5 GFBDRN CN(C)c1cc(F)c(C(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000279259440 563289854 /nfs/dbraw/zinc/28/98/54/563289854.db2.gz UUHBYOHQAJPULJ-UHFFFAOYSA-N 0 0 379.295 2.923 20 5 GFBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@@H]21 ZINC000296541834 563291267 /nfs/dbraw/zinc/29/12/67/563291267.db2.gz NYFXLNIZNCGDQU-QWHCGFSZSA-N 0 0 376.356 2.960 20 5 GFBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1sccc1Cl ZINC000420971718 563292504 /nfs/dbraw/zinc/29/25/04/563292504.db2.gz JAKPKYVVFAZQEZ-UHFFFAOYSA-N 0 0 389.886 2.720 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000372199513 563299292 /nfs/dbraw/zinc/29/92/92/563299292.db2.gz GLKAFBWTCPDULQ-SNVBAGLBSA-N 0 0 394.229 2.804 20 5 GFBDRN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296901289 563307504 /nfs/dbraw/zinc/30/75/04/563307504.db2.gz DSRNQVNZIJCUNW-JTQLQIEISA-N 0 0 384.435 2.791 20 5 GFBDRN O=C(Nc1cncc(Br)c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372483621 563307934 /nfs/dbraw/zinc/30/79/34/563307934.db2.gz 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ZINC000538883970 564204525 /nfs/dbraw/zinc/20/45/25/564204525.db2.gz PAMLJBGYBUYUDU-SECBINFHSA-N 0 0 375.328 2.761 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000539138575 564211225 /nfs/dbraw/zinc/21/12/25/564211225.db2.gz BMXGRARZRBISQX-LKFCYVNXSA-N 0 0 397.229 2.597 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564038316 564217815 /nfs/dbraw/zinc/21/78/15/564217815.db2.gz IBNFXVWQBYSQRW-SNVBAGLBSA-N 0 0 384.219 2.878 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000564060878 564218596 /nfs/dbraw/zinc/21/85/96/564218596.db2.gz IWNQWJNCSXDXAW-NSHDSACASA-N 0 0 380.202 2.761 20 5 GFBDRN COc1cc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000472754038 564232394 /nfs/dbraw/zinc/23/23/94/564232394.db2.gz RLJDQLDHXKMEPO-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CCC(CC)(CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000450875276 564252092 /nfs/dbraw/zinc/25/20/92/564252092.db2.gz FJVMUYXIXDFTOR-UHFFFAOYSA-N 0 0 375.219 2.889 20 5 GFBDRN Cc1c(Br)c(N2CC[C@@H]([C@H](O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000450873982 564252347 /nfs/dbraw/zinc/25/23/47/564252347.db2.gz DILZFLPIHHQIJW-XCBNKYQSSA-N 0 0 384.152 2.810 20 5 GFBDRN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000541292199 564273223 /nfs/dbraw/zinc/27/32/23/564273223.db2.gz CERZOAYACRFEQS-UHFFFAOYSA-N 0 0 378.431 2.655 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000474300041 564273280 /nfs/dbraw/zinc/27/32/80/564273280.db2.gz WCDABVNJAZWYMR-GFCCVEGCSA-N 0 0 384.797 2.669 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(S(C)(=O)=O)c1 ZINC000541297315 564273476 /nfs/dbraw/zinc/27/34/76/564273476.db2.gz GDCKPXYNQNLOKB-UHFFFAOYSA-N 0 0 380.447 2.753 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nccn1Cc1ccccc1 ZINC000474349085 564275405 /nfs/dbraw/zinc/27/54/05/564275405.db2.gz GJYFDFKYEVGPOG-UHFFFAOYSA-N 0 0 389.209 2.812 20 5 GFBDRN CCOC(=O)Cc1csc(NC(=O)CSc2cccc([N+](=O)[O-])c2)n1 ZINC000509091127 564281399 /nfs/dbraw/zinc/28/13/99/564281399.db2.gz WALBLEUWIADACH-UHFFFAOYSA-N 0 0 381.435 2.888 20 5 GFBDRN Cc1c(Br)c(Nc2cnn(-c3ncccn3)c2)ncc1[N+](=O)[O-] ZINC000541580055 564284087 /nfs/dbraw/zinc/28/40/87/564284087.db2.gz PITFWEVBDGQZPO-UHFFFAOYSA-N 0 0 376.174 2.780 20 5 GFBDRN CCOC(=O)C1([S@@](C)=O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451207165 564286498 /nfs/dbraw/zinc/28/64/98/564286498.db2.gz JAVZAEWNHHKJFT-RUZDIDTESA-N 0 0 388.873 2.524 20 5 GFBDRN Cc1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000541752733 564286857 /nfs/dbraw/zinc/28/68/57/564286857.db2.gz SQVQZZPTEUKZEE-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])c1 ZINC000541827592 564290701 /nfs/dbraw/zinc/29/07/01/564290701.db2.gz SFUDPQARGVOGMT-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN COCCC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000565678174 564290778 /nfs/dbraw/zinc/29/07/78/564290778.db2.gz NCYMHUIVLSVTLV-UHFFFAOYSA-N 0 0 383.253 2.949 20 5 GFBDRN CCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838196 564298989 /nfs/dbraw/zinc/29/89/89/564298989.db2.gz MMBCAXLJHLSVBW-BXKDBHETSA-N 0 0 384.376 2.689 20 5 GFBDRN NS(=O)(=O)c1cccc(NCc2ccsc2Br)c1[N+](=O)[O-] ZINC000509507483 564301919 /nfs/dbraw/zinc/30/19/19/564301919.db2.gz NCBKGLLUXLTIKM-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCc2nnnn2-c2ccccc2)c(Br)c1 ZINC000509496460 564302202 /nfs/dbraw/zinc/30/22/02/564302202.db2.gz SNUHUGKLPBVLKL-UHFFFAOYSA-N 0 0 389.213 2.988 20 5 GFBDRN COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000542240938 564306695 /nfs/dbraw/zinc/30/66/95/564306695.db2.gz CQGLUOIVIWVFLS-LBPRGKRZSA-N 0 0 388.829 2.767 20 5 GFBDRN CCOC[C@@H](C)CS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000451465073 564316172 /nfs/dbraw/zinc/31/61/72/564316172.db2.gz ZLQXCUAQHPOZBC-SNVBAGLBSA-N 0 0 384.376 2.706 20 5 GFBDRN O=[N+]([O-])c1sc(NCCc2cscn2)nc1NCCc1cscn1 ZINC000475749725 564317971 /nfs/dbraw/zinc/31/79/71/564317971.db2.gz ONDWGDHHELYYIM-UHFFFAOYSA-N 0 0 382.496 2.695 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451645601 564335186 /nfs/dbraw/zinc/33/51/86/564335186.db2.gz BDPSCIRITHJMHJ-QMMMGPOBSA-N 0 0 390.767 2.884 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000451652449 564336522 /nfs/dbraw/zinc/33/65/22/564336522.db2.gz ZEEGVWQPWWGLMB-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN CNc1ccc(S(=O)(=O)N(C)Cc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000543149206 564340042 /nfs/dbraw/zinc/34/00/42/564340042.db2.gz FDHGARFDXKHNNS-UHFFFAOYSA-N 0 0 382.467 2.791 20 5 GFBDRN COc1c(S(=O)(=O)N[C@@H](C)C2CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451745070 564348047 /nfs/dbraw/zinc/34/80/47/564348047.db2.gz NMFPONKFNYJRSR-QMMMGPOBSA-N 0 0 393.259 2.751 20 5 GFBDRN COC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000451806762 564354053 /nfs/dbraw/zinc/35/40/53/564354053.db2.gz FQYWLWSUXICBNC-CYBMUJFWSA-N 0 0 384.841 2.957 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451833310 564357022 /nfs/dbraw/zinc/35/70/22/564357022.db2.gz MLZFSCDLAYHMAD-QPUJVOFHSA-N 0 0 383.253 2.947 20 5 GFBDRN COc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ncc1Br ZINC000476978984 564360988 /nfs/dbraw/zinc/36/09/88/564360988.db2.gz HYPIIUNJHTVGSR-UHFFFAOYSA-N 0 0 384.190 2.860 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000543735973 564361824 /nfs/dbraw/zinc/36/18/24/564361824.db2.gz ITKNBXDHUHAUFT-UHFFFAOYSA-N 0 0 386.495 2.652 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000451929072 564368533 /nfs/dbraw/zinc/36/85/33/564368533.db2.gz SKQBHSCUSICCQF-JHJVBQTASA-N 0 0 388.873 2.728 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000477216523 564369542 /nfs/dbraw/zinc/36/95/42/564369542.db2.gz AWYSZODDSKEDLA-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN O=C(Cc1ccccc1Br)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000544076033 564373602 /nfs/dbraw/zinc/37/36/02/564373602.db2.gz QXBNLGQLUYXCBZ-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ncc(Br)cn1 ZINC000567481912 564373843 /nfs/dbraw/zinc/37/38/43/564373843.db2.gz JMEJZXHXTHGKOQ-SECBINFHSA-N 0 0 395.213 2.865 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000511901991 564384705 /nfs/dbraw/zinc/38/47/05/564384705.db2.gz KQWZPJLUFUOCSX-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN CO[C@H](C)c1nc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000544655490 564392253 /nfs/dbraw/zinc/39/22/53/564392253.db2.gz RMBNGLKZKLRXCF-LLVKDONJSA-N 0 0 385.467 2.854 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCN(c2ncc(F)cn2)CC1 ZINC000544701782 564394459 /nfs/dbraw/zinc/39/44/59/564394459.db2.gz SWEYVLAISRMBGO-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000478120906 564396027 /nfs/dbraw/zinc/39/60/27/564396027.db2.gz QPIOGZHYQKZBST-NSHDSACASA-N 0 0 381.230 2.842 20 5 GFBDRN CCOC(=O)c1nnsc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000512362220 564399557 /nfs/dbraw/zinc/39/95/57/564399557.db2.gz QMNSHOINXMEGAN-MRVPVSSYSA-N 0 0 382.423 2.742 20 5 GFBDRN Cc1cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000478431464 564402256 /nfs/dbraw/zinc/40/22/56/564402256.db2.gz ZTFJMLYUKCQXTE-CQSZACIVSA-N 0 0 392.209 2.622 20 5 GFBDRN Cc1cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1 ZINC000478431459 564402288 /nfs/dbraw/zinc/40/22/88/564402288.db2.gz ZTFJMLYUKCQXTE-AWEZNQCLSA-N 0 0 392.209 2.622 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478485468 564404876 /nfs/dbraw/zinc/40/48/76/564404876.db2.gz TVEDRPQGHXJHFK-LBPRGKRZSA-N 0 0 387.223 2.646 20 5 GFBDRN Cn1cccc1C(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478901700 564418263 /nfs/dbraw/zinc/41/82/63/564418263.db2.gz RLCMDHFASALGLO-UHFFFAOYSA-N 0 0 386.145 2.800 20 5 GFBDRN COC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000513048939 564418791 /nfs/dbraw/zinc/41/87/91/564418791.db2.gz JSEPTSJJWMHPAQ-QMMMGPOBSA-N 0 0 392.193 2.520 20 5 GFBDRN C[C@](O)(COc1ccc(I)cc1[N+](=O)[O-])C(F)(F)F ZINC000513208013 564424559 /nfs/dbraw/zinc/42/45/59/564424559.db2.gz KTWZASJFKWLUKD-VIFPVBQESA-N 0 0 391.083 2.892 20 5 GFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(I)c(O)c1 ZINC000545486238 564425525 /nfs/dbraw/zinc/42/55/25/564425525.db2.gz JHTBDTKOPXNTHR-UHFFFAOYSA-N 0 0 398.156 2.835 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2cc(F)cc(Br)c2)no1 ZINC000545567445 564429247 /nfs/dbraw/zinc/42/92/47/564429247.db2.gz ZHPADVYRFUDPAE-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN CC(=O)N1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545741489 564431387 /nfs/dbraw/zinc/43/13/87/564431387.db2.gz GCKCAZNSPLQBNO-NSHDSACASA-N 0 0 395.213 2.667 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(CCc2ccccc2Br)no1 ZINC000545749242 564431536 /nfs/dbraw/zinc/43/15/36/564431536.db2.gz UGXNGGUWBUIQOT-UHFFFAOYSA-N 0 0 378.186 2.926 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(CF)CCOCC1 ZINC000452802910 564432198 /nfs/dbraw/zinc/43/21/98/564432198.db2.gz IPFVXSLSTUGIRE-UHFFFAOYSA-N 0 0 389.221 2.782 20 5 GFBDRN Cc1cccnc1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000452800350 564432365 /nfs/dbraw/zinc/43/23/65/564432365.db2.gz VWUMJLLZTDQNNI-UHFFFAOYSA-N 0 0 378.226 2.962 20 5 GFBDRN O=[N+]([O-])c1cnn(Cc2nc(Cc3ccc(Br)c(F)c3)no2)c1 ZINC000545850725 564433555 /nfs/dbraw/zinc/43/35/55/564433555.db2.gz XRUWPTMYXVCNHG-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N2CCCc3c([N+](=O)[O-])cccc32)s1 ZINC000513813747 564439574 /nfs/dbraw/zinc/43/95/74/564439574.db2.gz KLIJQZMHKUGROF-UHFFFAOYSA-N 0 0 382.419 2.584 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000479584778 564444420 /nfs/dbraw/zinc/44/44/20/564444420.db2.gz CDFZPCVUVDLBHF-RNCFNFMXSA-N 0 0 385.214 2.771 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])n3C)nc12 ZINC000546112497 564445040 /nfs/dbraw/zinc/44/50/40/564445040.db2.gz LXJQAKGSBZPQDH-UHFFFAOYSA-N 0 0 392.213 2.582 20 5 GFBDRN COc1cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000514070657 564445911 /nfs/dbraw/zinc/44/59/11/564445911.db2.gz ZKYJAFYBHMFQOR-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000479817083 564451287 /nfs/dbraw/zinc/45/12/87/564451287.db2.gz JJFDRFBCOBXTLM-UHFFFAOYSA-N 0 0 394.160 2.698 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(Cc3ccc(Br)s3)no2)c1 ZINC000546274887 564452300 /nfs/dbraw/zinc/45/23/00/564452300.db2.gz VIAHNTJPLDCAOD-UHFFFAOYSA-N 0 0 384.215 2.832 20 5 GFBDRN COC(=O)[C@H](C)SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000514971717 564464858 /nfs/dbraw/zinc/46/48/58/564464858.db2.gz DKFOCTQPUSVFFH-ZETCQYMHSA-N 0 0 381.191 2.994 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000569891270 564482006 /nfs/dbraw/zinc/48/20/06/564482006.db2.gz DEEKFRQCDALEQK-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696033 564482250 /nfs/dbraw/zinc/48/22/50/564482250.db2.gz VRMFSNGGYPYKJD-SECBINFHSA-N 0 0 384.285 2.910 20 5 GFBDRN COc1cccc(Cl)c1CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000480709839 564483528 /nfs/dbraw/zinc/48/35/28/564483528.db2.gz NSYUCHFYEDDXPB-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CCCN([C@@H](CC)C(=O)OCC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000480876011 564493358 /nfs/dbraw/zinc/49/33/58/564493358.db2.gz OAFDFAOWTRWCAC-NSHDSACASA-N 0 0 378.472 2.707 20 5 GFBDRN Nc1nccc(C(=O)N[C@@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC000547764187 564510721 /nfs/dbraw/zinc/51/07/21/564510721.db2.gz BXNFGYAWSJYWEB-GFCCVEGCSA-N 0 0 377.198 2.582 20 5 GFBDRN COc1cccc(C(F)(F)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000516974680 564520003 /nfs/dbraw/zinc/52/00/03/564520003.db2.gz ILNYBNLJOCJJLB-UHFFFAOYSA-N 0 0 393.393 2.667 20 5 GFBDRN CCNC(=O)[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000455402360 564552723 /nfs/dbraw/zinc/55/27/23/564552723.db2.gz NZMRVEPQUMGCPR-LBPRGKRZSA-N 0 0 387.234 2.640 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2OC)c([N+](=O)[O-])c1 ZINC000518620186 564558007 /nfs/dbraw/zinc/55/80/07/564558007.db2.gz MJPAXXHJIDJVOC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1O ZINC000518868139 564563511 /nfs/dbraw/zinc/56/35/11/564563511.db2.gz QQACYSBNZQTGOE-UHFFFAOYSA-N 0 0 381.182 2.872 20 5 GFBDRN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(F)cc1Br ZINC000571800839 564567379 /nfs/dbraw/zinc/56/73/79/564567379.db2.gz DTCGSTXNNPJMIP-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN C[C@H](CCNS(=O)(=O)c1ccccc1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000549219089 564588810 /nfs/dbraw/zinc/58/88/10/564588810.db2.gz LREKCYMVVNSGSB-LLVKDONJSA-N 0 0 384.845 2.812 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2ncn(-c3ccccc3)n2)c(Br)c1 ZINC000549257123 564589417 /nfs/dbraw/zinc/58/94/17/564589417.db2.gz VIFUCAYATMOFIR-UHFFFAOYSA-N 0 0 375.186 2.945 20 5 GFBDRN C[C@H](O)C[C@@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412033 564593338 /nfs/dbraw/zinc/59/33/38/564593338.db2.gz PGRIIRDRHJDLGL-GWCFXTLKSA-N 0 0 390.221 2.935 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000572432106 564594086 /nfs/dbraw/zinc/59/40/86/564594086.db2.gz SGBZKBRQWWLMSS-UHFFFAOYSA-N 0 0 386.857 2.679 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCSC1 ZINC000484774728 564597836 /nfs/dbraw/zinc/59/78/36/564597836.db2.gz HFTKZQNTSQRTRV-SECBINFHSA-N 0 0 381.273 2.531 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456303773 564599711 /nfs/dbraw/zinc/59/97/11/564599711.db2.gz FNBLTVRRSDFZNJ-HFAKWTLXSA-N 0 0 383.242 2.980 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000549608105 564600194 /nfs/dbraw/zinc/60/01/94/564600194.db2.gz PGQQWRJXERVVDQ-UHFFFAOYSA-N 0 0 386.227 2.719 20 5 GFBDRN O=c1c(F)cc(Br)cn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573078957 564621697 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COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cn1 ZINC000555800217 564805021 /nfs/dbraw/zinc/80/50/21/564805021.db2.gz QXJKUVJINGFTCX-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN CCc1[nH]nc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c1Br ZINC000581849638 564819439 /nfs/dbraw/zinc/81/94/39/564819439.db2.gz ZZUPOZLLIMFJBS-UHFFFAOYSA-N 0 0 379.174 2.942 20 5 GFBDRN CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146541 564823695 /nfs/dbraw/zinc/82/36/95/564823695.db2.gz OHJFDVQXUZPWMU-LLVKDONJSA-N 0 0 394.280 2.759 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000462541641 564846331 /nfs/dbraw/zinc/84/63/31/564846331.db2.gz FZAPRZKWOWNCRW-SECBINFHSA-N 0 0 386.227 2.792 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1CC(F)(F)F ZINC000462624391 564853069 /nfs/dbraw/zinc/85/30/69/564853069.db2.gz ZXPSHSSWKHXVJH-GFCCVEGCSA-N 0 0 379.766 2.934 20 5 GFBDRN Cn1cc(N2CCC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2=O)cn1 ZINC000462878120 564861608 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GFBDRN Cc1cccc(Oc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000534386808 564987795 /nfs/dbraw/zinc/98/77/95/564987795.db2.gz UCZALQZETCINAN-UHFFFAOYSA-N 0 0 385.419 2.503 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2Br)s1 ZINC000561459631 564995405 /nfs/dbraw/zinc/99/54/05/564995405.db2.gz ABIRKLQCHCZRNG-UHFFFAOYSA-N 0 0 382.199 2.953 20 5 GFBDRN Cc1cc(=O)[nH]cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000468887878 564997538 /nfs/dbraw/zinc/99/75/38/564997538.db2.gz HXDZCJKDHXZDDN-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561732872 565007239 /nfs/dbraw/zinc/00/72/39/565007239.db2.gz LEEKMNGTKNRMJJ-LBPRGKRZSA-N 0 0 398.257 2.736 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(Br)c1F ZINC000469993711 565034580 /nfs/dbraw/zinc/03/45/80/565034580.db2.gz UQAOJUPUPQFYCW-UHFFFAOYSA-N 0 0 386.133 2.863 20 5 GFBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504081579 565034986 /nfs/dbraw/zinc/03/49/86/565034986.db2.gz QCYLTXVEHQJDQB-HNNXBMFYSA-N 0 0 394.225 2.890 20 5 GFBDRN Cn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)cc(Br)c1=O ZINC000536507863 565039203 /nfs/dbraw/zinc/03/92/03/565039203.db2.gz VSPBBENVMXLIDW-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN Cc1cc(=O)[nH]cc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000536570307 565040834 /nfs/dbraw/zinc/04/08/34/565040834.db2.gz REJMMGAOPWNPRW-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000562758793 565041306 /nfs/dbraw/zinc/04/13/06/565041306.db2.gz MYNQJNXJBJQBES-UHFFFAOYSA-N 0 0 394.229 2.797 20 5 GFBDRN Cn1c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1[N+](=O)[O-] ZINC000470451466 565047284 /nfs/dbraw/zinc/04/72/84/565047284.db2.gz ISNBVQWDQFWTMO-GFCCVEGCSA-N 0 0 393.241 2.705 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3cccc(Br)c3n2)n1 ZINC000536814014 565047531 /nfs/dbraw/zinc/04/75/31/565047531.db2.gz HDUZAKVKTPLXAV-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN CN(C)c1nccc(CNc2ccc(I)cc2[N+](=O)[O-])n1 ZINC000537192198 565054508 /nfs/dbraw/zinc/05/45/08/565054508.db2.gz UAZMWNBIRQALKW-UHFFFAOYSA-N 0 0 399.192 2.668 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCS(=O)(=O)CC1 ZINC000537485636 565058858 /nfs/dbraw/zinc/05/88/58/565058858.db2.gz VKEOJBBPSOEMHP-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN COC(=O)[C@@H](CC(F)F)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585701361 565105507 /nfs/dbraw/zinc/10/55/07/565105507.db2.gz YWHYUCJHGJEOQT-SNVBAGLBSA-N 0 0 395.156 2.592 20 5 GFBDRN Nc1cc(NCCOc2ccc(Br)cc2)cc(CO)c1[N+](=O)[O-] ZINC000587535438 565122179 /nfs/dbraw/zinc/12/21/79/565122179.db2.gz KFDILBXDFRZBQS-UHFFFAOYSA-N 0 0 382.214 2.923 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C2CC2)C1 ZINC000589031162 565148011 /nfs/dbraw/zinc/14/80/11/565148011.db2.gz VOKUKUREVUMZMX-NSHDSACASA-N 0 0 396.241 2.944 20 5 GFBDRN CC1(C)SC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000616005767 565183170 /nfs/dbraw/zinc/18/31/70/565183170.db2.gz URHHIIWJONUKQK-JTQLQIEISA-N 0 0 381.273 2.530 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1NC(=O)CC12CCCCC2 ZINC000590546212 565191534 /nfs/dbraw/zinc/19/15/34/565191534.db2.gz WQUCYRVCNRYDDP-UHFFFAOYSA-N 0 0 396.241 2.866 20 5 GFBDRN CCOCCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000591332581 565225301 /nfs/dbraw/zinc/22/53/01/565225301.db2.gz LYNFMUGUFAONIN-UHFFFAOYSA-N 0 0 385.829 2.875 20 5 GFBDRN CC[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(=O)OC ZINC000592257716 565265593 /nfs/dbraw/zinc/26/55/93/565265593.db2.gz JLNUECRCEHJLBW-VIFPVBQESA-N 0 0 388.218 2.986 20 5 GFBDRN C[C@H]1SCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000592734738 565290510 /nfs/dbraw/zinc/29/05/10/565290510.db2.gz IINJRAUHMCKMHP-HQJQHLMTSA-N 0 0 392.218 2.823 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)nc1 ZINC000593531823 565338181 /nfs/dbraw/zinc/33/81/81/565338181.db2.gz UASHZONFSYOFFA-UHFFFAOYSA-N 0 0 385.829 2.781 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000593585267 565344980 /nfs/dbraw/zinc/34/49/80/565344980.db2.gz GROQRLAPTKKZAK-ZCFIWIBFSA-N 0 0 382.345 2.505 20 5 GFBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000619587439 565351169 /nfs/dbraw/zinc/35/11/69/565351169.db2.gz DQRRSEQANQZLQD-CHWSQXEVSA-N 0 0 392.275 2.630 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593642254 565351489 /nfs/dbraw/zinc/35/14/89/565351489.db2.gz LTWHPTBNIUCSIM-BXKDBHETSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC(C2CCOCC2)C1 ZINC000619730460 565356658 /nfs/dbraw/zinc/35/66/58/565356658.db2.gz YFTVGQWIQZCEGG-UHFFFAOYSA-N 0 0 383.242 2.785 20 5 GFBDRN COC(=O)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC1CC1 ZINC000593822925 565361420 /nfs/dbraw/zinc/36/14/20/565361420.db2.gz CHIJDOZYSBAHKW-LLVKDONJSA-N 0 0 385.214 2.676 20 5 GFBDRN COC(=O)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC1CC1 ZINC000593822926 565363062 /nfs/dbraw/zinc/36/30/62/565363062.db2.gz CHIJDOZYSBAHKW-NSHDSACASA-N 0 0 385.214 2.676 20 5 GFBDRN COC(=O)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC000593824082 565363095 /nfs/dbraw/zinc/36/30/95/565363095.db2.gz VGQBLOSTYHZDCA-LBPRGKRZSA-N 0 0 399.241 2.605 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CC2(CC2(F)F)C1 ZINC000594379269 565383211 /nfs/dbraw/zinc/38/32/11/565383211.db2.gz CBOYGGVEKIPHSL-UHFFFAOYSA-N 0 0 394.115 2.681 20 5 GFBDRN Nc1cc(N2CCOc3cccc(Br)c3C2)cc(CO)c1[N+](=O)[O-] ZINC000594602264 565402022 /nfs/dbraw/zinc/40/20/22/565402022.db2.gz CUGOSACTDPLODK-UHFFFAOYSA-N 0 0 394.225 2.831 20 5 GFBDRN COc1cc(CN(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])ccc1SC ZINC000594752933 565413920 /nfs/dbraw/zinc/41/39/20/565413920.db2.gz XLWFEHCSGXLCOH-UHFFFAOYSA-N 0 0 383.451 2.541 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595407296 565475202 /nfs/dbraw/zinc/47/52/02/565475202.db2.gz LWOCISFLTMIPSO-BZNIZROVSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415657 565476026 /nfs/dbraw/zinc/47/60/26/565476026.db2.gz MPHRGBBSSFWWEV-IAQYHMDHSA-N 0 0 378.397 2.645 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1C ZINC000595417258 565476555 /nfs/dbraw/zinc/47/65/55/565476555.db2.gz VFIJZEBKEPEHMW-ZUZCIYMTSA-N 0 0 378.397 2.645 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1csc(CC)n1 ZINC000596120206 565513987 /nfs/dbraw/zinc/51/39/87/565513987.db2.gz ISOJNFWHXHCUKJ-UHFFFAOYSA-N 0 0 384.483 2.914 20 5 GFBDRN O=C1CN(c2c(Br)cccc2[N+](=O)[O-])CN1CCC(F)(F)F ZINC000596253380 565516786 /nfs/dbraw/zinc/51/67/86/565516786.db2.gz RRYCWNCRQDARTF-UHFFFAOYSA-N 0 0 382.136 2.916 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596240166 565517045 /nfs/dbraw/zinc/51/70/45/565517045.db2.gz RXHKTKGDLJPEAW-SNVBAGLBSA-N 0 0 377.260 2.618 20 5 GFBDRN Cc1noc(CN(c2cccc(Br)c2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC000596267133 565518210 /nfs/dbraw/zinc/51/82/10/565518210.db2.gz WXWVWCQBDQMLPW-UHFFFAOYSA-N 0 0 390.215 2.620 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(CC2(F)F)C1 ZINC000596292077 565519086 /nfs/dbraw/zinc/51/90/86/565519086.db2.gz QEPOSWKTZIBHLV-CQSZACIVSA-N 0 0 375.397 2.519 20 5 GFBDRN CSCC1(Cc2noc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)CC1 ZINC000596608350 565528613 /nfs/dbraw/zinc/52/86/13/565528613.db2.gz LPXZBVCQEXRWJT-UHFFFAOYSA-N 0 0 383.451 2.734 20 5 GFBDRN COC[C@@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)OC ZINC000596888806 565540321 /nfs/dbraw/zinc/54/03/21/565540321.db2.gz SWXRPRLXFIOIIC-LLVKDONJSA-N 0 0 390.234 2.839 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000597577432 565565107 /nfs/dbraw/zinc/56/51/07/565565107.db2.gz GHWPQOUWOWRUGV-ZIAGYGMSSA-N 0 0 386.221 2.616 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000597579593 565565142 /nfs/dbraw/zinc/56/51/42/565565142.db2.gz MVPCHQKTPDMXRT-ZIAGYGMSSA-N 0 0 386.221 2.616 20 5 GFBDRN CCOC(=O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598046155 565590887 /nfs/dbraw/zinc/59/08/87/565590887.db2.gz AVXCZHAAHJRBPP-NSHDSACASA-N 0 0 382.722 2.791 20 5 GFBDRN Cn1ncc(C2CC2)c1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598210572 565602939 /nfs/dbraw/zinc/60/29/39/565602939.db2.gz ILEBWLNIQFVLEH-UHFFFAOYSA-N 0 0 385.243 2.960 20 5 GFBDRN CCSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 ZINC000598327188 565609531 /nfs/dbraw/zinc/60/95/31/565609531.db2.gz CIGWYQJGVVOGCD-UHFFFAOYSA-N 0 0 379.467 2.880 20 5 GFBDRN C[C@H](O)C1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000598383616 565611851 /nfs/dbraw/zinc/61/18/51/565611851.db2.gz HRONOUDGEHTYNR-QMMMGPOBSA-N 0 0 385.207 2.731 20 5 GFBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598427044 565617044 /nfs/dbraw/zinc/61/70/44/565617044.db2.gz FAQLFYZAKZBWQM-GFCCVEGCSA-N 0 0 381.230 2.842 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598619657 565630068 /nfs/dbraw/zinc/63/00/68/565630068.db2.gz SVUIJMAAPQEVQB-BONVTDFDSA-N 0 0 378.397 2.645 20 5 GFBDRN C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598626479 565630173 /nfs/dbraw/zinc/63/01/73/565630173.db2.gz WVLUVKZYSAYGLV-IUCAKERBSA-N 0 0 383.253 2.541 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599167784 565660252 /nfs/dbraw/zinc/66/02/52/565660252.db2.gz ZATRJDAVGVAIET-XFBWCDHKSA-N 0 0 379.825 2.646 20 5 GFBDRN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248570 565664959 /nfs/dbraw/zinc/66/49/59/565664959.db2.gz OHVWUXRYSWPZDS-IUPBHXKESA-N 0 0 384.845 2.657 20 5 GFBDRN CC(C)N1C(=O)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000599603603 565692892 /nfs/dbraw/zinc/69/28/92/565692892.db2.gz GGRHPPWLGBZHMW-UHFFFAOYSA-N 0 0 398.257 2.829 20 5 GFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632039 565693562 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375.759 2.936 20 5 GFBDRN CCC(F)(F)C(C)(C)CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000600386545 565727213 /nfs/dbraw/zinc/72/72/13/565727213.db2.gz GSOGKBZCZUFKJW-UHFFFAOYSA-N 0 0 378.397 2.800 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000600487300 565733120 /nfs/dbraw/zinc/73/31/20/565733120.db2.gz NIDZVDTXUOCKKU-ZDUSSCGKSA-N 0 0 393.197 2.830 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCCN(CC(F)(F)F)C1 ZINC000601166427 565769889 /nfs/dbraw/zinc/76/98/89/565769889.db2.gz NNBPKNFBCSHKKH-ZETCQYMHSA-N 0 0 375.273 2.786 20 5 GFBDRN Cn1ncc(Br)c1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000601746900 565802066 /nfs/dbraw/zinc/80/20/66/565802066.db2.gz UZDZTPUIASVRRC-UHFFFAOYSA-N 0 0 381.230 2.685 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)n1 ZINC000601772416 565803355 /nfs/dbraw/zinc/80/33/55/565803355.db2.gz UEAIDLIOCCXBKH-IACUBPJLSA-N 0 0 391.225 2.642 20 5 GFBDRN 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20 5 GFBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2cc(Br)ccc21 ZINC000829538482 660597562 /nfs/dbraw/zinc/59/75/62/660597562.db2.gz LBFMSAWPXCBQRK-CQSZACIVSA-N 0 0 380.198 2.827 20 5 GFBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@](CO)(C(F)(F)F)C1 ZINC000829702003 660608427 /nfs/dbraw/zinc/60/84/27/660608427.db2.gz YLDVHCRLFVGBGU-AWEZNQCLSA-N 0 0 380.750 2.954 20 5 GFBDRN C[C@@H](NC(=O)C1(n2cc(Br)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000830071006 660632795 /nfs/dbraw/zinc/63/27/95/660632795.db2.gz MOWORZPIMGFHKK-SNVBAGLBSA-N 0 0 379.214 2.920 20 5 GFBDRN CC(C)(CCC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000830434506 660656299 /nfs/dbraw/zinc/65/62/99/660656299.db2.gz LFGRQHVKPPDTTA-CYBMUJFWSA-N 0 0 387.274 2.552 20 5 GFBDRN CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830461639 660658199 /nfs/dbraw/zinc/65/81/99/660658199.db2.gz BYSQTABUZLXRPW-SNVBAGLBSA-N 0 0 394.280 2.759 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1cnn(C)c1 ZINC000830669176 660671413 /nfs/dbraw/zinc/67/14/13/660671413.db2.gz ZWBXONVLIKFURW-SSDOTTSWSA-N 0 0 379.225 2.675 20 5 GFBDRN C[C@@H](CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000830670537 660671930 /nfs/dbraw/zinc/67/19/30/660671930.db2.gz LRPUTNSGQPGKFW-JTQLQIEISA-N 0 0 396.197 2.931 20 5 GFBDRN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830918310 660686336 /nfs/dbraw/zinc/68/63/36/660686336.db2.gz AVMKOSZFKZJLHZ-BDAKNGLRSA-N 0 0 383.253 2.683 20 5 GFBDRN O=C(OCc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCC(=O)C1 ZINC000830892055 660685061 /nfs/dbraw/zinc/68/50/61/660685061.db2.gz NMQQMEMQUYNUIU-VIFPVBQESA-N 0 0 389.145 2.612 20 5 GFBDRN CC(=O)OC1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000830935766 660687194 /nfs/dbraw/zinc/68/71/94/660687194.db2.gz YJZHJAZMSNXRNM-UHFFFAOYSA-N 0 0 397.236 2.618 20 5 GFBDRN CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831090553 660695104 /nfs/dbraw/zinc/69/51/04/660695104.db2.gz DSTYIFXIGIRZQF-JGVFFNPUSA-N 0 0 399.252 2.768 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCCn2nccc21 ZINC000831182422 660702171 /nfs/dbraw/zinc/70/21/71/660702171.db2.gz HGVIORIJZIXTCQ-LBPRGKRZSA-N 0 0 379.214 2.748 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[C@H](O)C1CCCC1 ZINC000831402683 660709302 /nfs/dbraw/zinc/70/93/02/660709302.db2.gz RWMWIMRNSIAZRD-HNNXBMFYSA-N 0 0 385.258 2.957 20 5 GFBDRN CN(C)[C@@H](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000831647400 660717172 /nfs/dbraw/zinc/71/71/72/660717172.db2.gz KVXWFOLLMMDVIH-LBPRGKRZSA-N 0 0 385.745 2.929 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCn3ccnc32)c1Cl ZINC000831740399 660724610 /nfs/dbraw/zinc/72/46/10/660724610.db2.gz WQQRAZOSGKNDPC-MRVPVSSYSA-N 0 0 377.209 2.521 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(OC)[C@H](C)c1csc(C)n1 ZINC000832011745 660744885 /nfs/dbraw/zinc/74/48/85/660744885.db2.gz AXNAHRCMERKIOY-SECBINFHSA-N 0 0 387.439 2.682 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2(CF)CCOCC2)c1 ZINC000832180021 660761204 /nfs/dbraw/zinc/76/12/04/660761204.db2.gz LIVHZWHNPVOOPD-UHFFFAOYSA-N 0 0 380.825 2.601 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](CO)CC(C)(C)C ZINC000832456015 660781021 /nfs/dbraw/zinc/78/10/21/660781021.db2.gz SKCMFZXKUHMPJQ-NSHDSACASA-N 0 0 378.878 2.974 20 5 GFBDRN C[C@@H](CC(C)(C)O)OC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000835422357 660856604 /nfs/dbraw/zinc/85/66/04/660856604.db2.gz NKWJOQIXFWYLBU-QMMMGPOBSA-N 0 0 393.177 2.906 20 5 GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000836600797 660919581 /nfs/dbraw/zinc/91/95/81/660919581.db2.gz ZRMNPYQHOPRRGR-HNNXBMFYSA-N 0 0 387.845 2.681 20 5 GFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cncc(Br)c1 ZINC000003529668 654441852 /nfs/dbraw/zinc/44/18/52/654441852.db2.gz DZJHMWKPLGBJGK-UHFFFAOYSA-N 0 0 395.165 2.976 20 5 GFBDRN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006861896 654457564 /nfs/dbraw/zinc/45/75/64/654457564.db2.gz SVPSGQVWLXIXKK-UHFFFAOYSA-N 0 0 377.571 2.750 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1Sc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000008317975 654482619 /nfs/dbraw/zinc/48/26/19/654482619.db2.gz CYUFIBSSCSEVFX-UHFFFAOYSA-N 0 0 377.451 2.667 20 5 GFBDRN C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000008329800 654482953 /nfs/dbraw/zinc/48/29/53/654482953.db2.gz LJFWSDDLQPZDIP-SECBINFHSA-N 0 0 397.181 2.985 20 5 GFBDRN CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000010459553 654492606 /nfs/dbraw/zinc/49/26/06/654492606.db2.gz NYEAROLKPRFSPG-VIFPVBQESA-N 0 0 377.180 2.669 20 5 GFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000010721877 654493450 /nfs/dbraw/zinc/49/34/50/654493450.db2.gz FLINKSDZMIWEFT-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000017635617 654521171 /nfs/dbraw/zinc/52/11/71/654521171.db2.gz QMYVWLXLBZTRLI-CYBMUJFWSA-N 0 0 386.495 2.650 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000025741597 654552811 /nfs/dbraw/zinc/55/28/11/654552811.db2.gz VKBIWWFJGAUYMH-UHFFFAOYSA-N 0 0 386.773 2.848 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000032406535 654601628 /nfs/dbraw/zinc/60/16/28/654601628.db2.gz OXEJZZMDFZFNMO-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN CS(=O)(=O)c1ccc(NCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1 ZINC000041817256 654632029 /nfs/dbraw/zinc/63/20/29/654632029.db2.gz BNVFOGAVWOCBMS-UHFFFAOYSA-N 0 0 380.813 2.912 20 5 GFBDRN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2sccc2Br)c1 ZINC000049948296 654716739 /nfs/dbraw/zinc/71/67/39/654716739.db2.gz VSMUUKAHXZNOQE-UHFFFAOYSA-N 0 0 377.241 2.897 20 5 GFBDRN CN(C(=O)c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051281729 654723185 /nfs/dbraw/zinc/72/31/85/654723185.db2.gz BWPSQKBNOYGKBF-UHFFFAOYSA-N 0 0 390.751 2.987 20 5 GFBDRN O=C(NCCOC(=O)[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000121928760 654725475 /nfs/dbraw/zinc/72/54/75/654725475.db2.gz SCKDXCHFJFQOAB-VIFPVBQESA-N 0 0 381.599 2.715 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000122025714 654728671 /nfs/dbraw/zinc/72/86/71/654728671.db2.gz HHAYVWOSLHYIAD-UHFFFAOYSA-N 0 0 398.238 2.982 20 5 GFBDRN COCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)n1 ZINC000122617700 654740630 /nfs/dbraw/zinc/74/06/30/654740630.db2.gz GJGLDANKBQJMHQ-UHFFFAOYSA-N 0 0 394.225 2.974 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000122874391 654745423 /nfs/dbraw/zinc/74/54/23/654745423.db2.gz XISWBNMDNYVFGY-OAHLLOKOSA-N 0 0 381.479 2.642 20 5 GFBDRN CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122890031 654745931 /nfs/dbraw/zinc/74/59/31/654745931.db2.gz CHVOQSJPDUQCHB-AWEZNQCLSA-N 0 0 384.841 2.992 20 5 GFBDRN CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123026816 654750842 /nfs/dbraw/zinc/75/08/42/654750842.db2.gz OJXUZTNHLICDMA-VIFPVBQESA-N 0 0 383.451 2.963 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](O)c1ccccc1 ZINC000123163680 654752405 /nfs/dbraw/zinc/75/24/05/654752405.db2.gz CHZGPZNJVFDSGT-HNNXBMFYSA-N 0 0 384.841 2.959 20 5 GFBDRN COc1ccc(Cl)cc1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919612 654765375 /nfs/dbraw/zinc/76/53/75/654765375.db2.gz XIACIWAGFHBJRD-UHFFFAOYSA-N 0 0 389.593 2.855 20 5 GFBDRN Cc1c(NC(=O)CN(C)C(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000055013150 654767437 /nfs/dbraw/zinc/76/74/37/654767437.db2.gz IQEMBTLNTOFBNK-UHFFFAOYSA-N 0 0 396.197 2.969 20 5 GFBDRN O=C(COc1ccc(Br)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127399594 654828870 /nfs/dbraw/zinc/82/88/70/654828870.db2.gz QVLSJJFPUVPFIX-UHFFFAOYSA-N 0 0 378.182 2.720 20 5 GFBDRN Cn1c(C(=O)Nc2ccc(F)cc2I)ccc1[N+](=O)[O-] ZINC000127968180 654838617 /nfs/dbraw/zinc/83/86/17/654838617.db2.gz UQTDEKVEPOYPNH-UHFFFAOYSA-N 0 0 389.124 2.929 20 5 GFBDRN COCCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000063311225 654851893 /nfs/dbraw/zinc/85/18/93/654851893.db2.gz BUVXGZKCYLNLAL-UHFFFAOYSA-N 0 0 390.767 2.756 20 5 GFBDRN COc1ccc(Br)cc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063573629 654854440 /nfs/dbraw/zinc/85/44/40/654854440.db2.gz AEIACHMJTDBWAO-UHFFFAOYSA-N 0 0 384.186 2.696 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)Cc1ccccc1 ZINC000129672456 654871581 /nfs/dbraw/zinc/87/15/81/654871581.db2.gz IZCVCTHBEGOORK-CQSZACIVSA-N 0 0 393.237 2.620 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Sc2nncs2)cc1 ZINC000065792788 654887960 /nfs/dbraw/zinc/88/79/60/654887960.db2.gz NSKAIIAGHMUCDO-UHFFFAOYSA-N 0 0 376.423 2.823 20 5 GFBDRN CN(C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000267189855 654915890 /nfs/dbraw/zinc/91/58/90/654915890.db2.gz YTRMGZPUOHVFHE-UHFFFAOYSA-N 0 0 398.257 2.878 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2cccnc2N2CCOCC2)c(Br)c1 ZINC000267254137 654920558 /nfs/dbraw/zinc/92/05/58/654920558.db2.gz OVHLWMPKMQZZDP-UHFFFAOYSA-N 0 0 394.229 2.596 20 5 GFBDRN CC(C)C(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267267605 654921218 /nfs/dbraw/zinc/92/12/18/654921218.db2.gz RRGZOLOSEGVOCE-LLVKDONJSA-N 0 0 385.262 2.741 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)N(C)C ZINC000132362277 654935384 /nfs/dbraw/zinc/93/53/84/654935384.db2.gz BZAYVNGIBRHOOJ-CYBMUJFWSA-N 0 0 387.458 2.685 20 5 GFBDRN CSc1cccc(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000132582873 654942640 /nfs/dbraw/zinc/94/26/40/654942640.db2.gz GMBWHYDWPCZGGT-UHFFFAOYSA-N 0 0 398.238 2.880 20 5 GFBDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132700225 654946499 /nfs/dbraw/zinc/94/64/99/654946499.db2.gz JCNAPEKVXNEQDW-ZYHUDNBSSA-N 0 0 386.246 2.556 20 5 GFBDRN CC(=O)c1c(C)[nH]c(C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1C ZINC000268006153 654955910 /nfs/dbraw/zinc/95/59/10/654955910.db2.gz OCWYIFCAMOBQLJ-UHFFFAOYSA-N 0 0 396.197 2.549 20 5 GFBDRN COC(=O)C1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000133836195 654974767 /nfs/dbraw/zinc/97/47/67/654974767.db2.gz GPIRICUQIKNFRP-UHFFFAOYSA-N 0 0 399.241 2.748 20 5 GFBDRN Cc1nsc(N2CCCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000268516214 654976075 /nfs/dbraw/zinc/97/60/75/654976075.db2.gz YJSHOMIIUUUMSU-UHFFFAOYSA-N 0 0 399.274 2.629 20 5 GFBDRN CN(CCCn1ccnc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269120095 654998388 /nfs/dbraw/zinc/99/83/88/654998388.db2.gz DWOTYDJGPKMVHJ-UHFFFAOYSA-N 0 0 385.193 2.855 20 5 GFBDRN CCc1nc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000071834324 655000732 /nfs/dbraw/zinc/00/07/32/655000732.db2.gz WIDNNGHEVZUXAK-UHFFFAOYSA-N 0 0 382.345 2.720 20 5 GFBDRN CC(C)c1n[nH]c(C(=O)NCCc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000269335778 655006085 /nfs/dbraw/zinc/00/60/85/655006085.db2.gz BEDBCFAGGKWSPX-UHFFFAOYSA-N 0 0 377.348 2.889 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC(C)(C)O1 ZINC000269454081 655009908 /nfs/dbraw/zinc/00/99/08/655009908.db2.gz DNEZMYPTUFLLSD-SECBINFHSA-N 0 0 393.259 2.545 20 5 GFBDRN COC(=O)C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269562477 655013707 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Cc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)n1C ZINC000764743092 656118512 /nfs/dbraw/zinc/11/85/12/656118512.db2.gz MAHUNXPRIZXXGH-UHFFFAOYSA-N 0 0 384.161 2.756 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCCC12OCCO2 ZINC000764925505 656123640 /nfs/dbraw/zinc/12/36/40/656123640.db2.gz KMYXHBVSTOGGMN-CQSZACIVSA-N 0 0 399.241 2.702 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCCCO)C1CC1 ZINC000765210848 656137167 /nfs/dbraw/zinc/13/71/67/656137167.db2.gz MDHOKMFNEIRIPI-UHFFFAOYSA-N 0 0 375.194 2.874 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000766670413 656178867 /nfs/dbraw/zinc/17/88/67/656178867.db2.gz QDVHBEQFHSRDRC-LBPRGKRZSA-N 0 0 385.467 2.729 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000767047778 656192304 /nfs/dbraw/zinc/19/23/04/656192304.db2.gz VNKIVNJRHNGVBW-UHFFFAOYSA-N 0 0 385.419 2.686 20 5 GFBDRN CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000768181679 656234314 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/nfs/dbraw/zinc/30/91/69/656309169.db2.gz RHHBFSQSOSCEGP-UHFFFAOYSA-N 0 0 388.199 2.965 20 5 GFBDRN O=C(c1nccn2c(Br)cnc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000770262774 656313090 /nfs/dbraw/zinc/31/30/90/656313090.db2.gz DLRJTQQFBSJJSH-UHFFFAOYSA-N 0 0 388.181 2.603 20 5 GFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Br ZINC000770271972 656313564 /nfs/dbraw/zinc/31/35/64/656313564.db2.gz UUNAEPPROPYZRI-UHFFFAOYSA-N 0 0 381.186 2.953 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)NN3CCCC3=O)cc2[N+](=O)[O-])n1 ZINC000770545597 656322642 /nfs/dbraw/zinc/32/26/42/656322642.db2.gz KYYXRSVIVLWZQV-UHFFFAOYSA-N 0 0 378.435 2.778 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2ncccc21 ZINC000770671550 656326418 /nfs/dbraw/zinc/32/64/18/656326418.db2.gz NWCRMDLABDOPCW-UHFFFAOYSA-N 0 0 395.156 2.797 20 5 GFBDRN CN(C)c1nc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)ns1 ZINC000771379854 656347505 /nfs/dbraw/zinc/34/75/05/656347505.db2.gz JYSPJUZYIWTSJC-UHFFFAOYSA-N 0 0 387.215 2.632 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCCSCc2ccnc(Cl)c2)c1[N+](=O)[O-] ZINC000771491631 656350647 /nfs/dbraw/zinc/35/06/47/656350647.db2.gz ZFOFIBLPTXCYQE-UHFFFAOYSA-N 0 0 383.861 2.982 20 5 GFBDRN Cc1cccc(C(=O)Nc2cn3cc(Br)ncc3n2)c1[N+](=O)[O-] ZINC000771588403 656355544 /nfs/dbraw/zinc/35/55/44/656355544.db2.gz HDUPVILGKUGABS-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN O=C(Nc1cn2cc(Br)ncc2n1)c1ccc([N+](=O)[O-])cc1F ZINC000771590692 656355787 /nfs/dbraw/zinc/35/57/87/656355787.db2.gz ICHSRLPSGAQOTK-UHFFFAOYSA-N 0 0 380.133 2.791 20 5 GFBDRN COCCCCN(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000841368146 661254977 /nfs/dbraw/zinc/25/49/77/661254977.db2.gz FALOHALNSQHNHN-UHFFFAOYSA-N 0 0 388.262 2.679 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCCNc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000771924198 656366049 /nfs/dbraw/zinc/36/60/49/656366049.db2.gz CNADEPNCWJAFOU-UHFFFAOYSA-N 0 0 398.491 2.965 20 5 GFBDRN C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000772050764 656371391 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GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000412886822 563673917 /nfs/dbraw/zinc/67/39/17/563673917.db2.gz ZLSAFLSXXLNKGU-UHFFFAOYSA-N 0 0 386.495 2.652 20 5 GFBDRN COC(=O)[C@@H]1CSCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000412950495 563676204 /nfs/dbraw/zinc/67/62/04/563676204.db2.gz KKXNGOBHNUJESO-NSHDSACASA-N 0 0 380.447 2.788 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000289673661 563682760 /nfs/dbraw/zinc/68/27/60/563682760.db2.gz CFPPDSNPPQXOIB-YPMHNXCESA-N 0 0 378.809 2.719 20 5 GFBDRN Cc1nnc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000289812203 563687246 /nfs/dbraw/zinc/68/72/46/563687246.db2.gz KENNGABCVDJHPG-UHFFFAOYSA-N 0 0 397.265 2.583 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC=C(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000437108663 563689240 /nfs/dbraw/zinc/68/92/40/563689240.db2.gz OLGGGFCDDCEAJM-UHFFFAOYSA-N 0 0 382.214 2.783 20 5 GFBDRN CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289899840 563690093 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ZINC000365198028 563777045 /nfs/dbraw/zinc/77/70/45/563777045.db2.gz PKVJBKMUKYZGAW-CABZTGNLSA-N 0 0 383.223 2.807 20 5 GFBDRN CC[C@@]1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000442749233 563778259 /nfs/dbraw/zinc/77/82/59/563778259.db2.gz DLLIOPULRHNEIM-ZDUSSCGKSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1Br ZINC000365613674 563789279 /nfs/dbraw/zinc/78/92/79/563789279.db2.gz RORJUHIENOMNOE-NHYWBVRUSA-N 0 0 393.193 2.582 20 5 GFBDRN CCCN(CC(C)(C)O)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443229653 563796643 /nfs/dbraw/zinc/79/66/43/563796643.db2.gz YFNFZFZDGYZRHP-UHFFFAOYSA-N 0 0 395.275 2.529 20 5 GFBDRN C[C@@H]1CC[C@H](C(N)=O)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443444547 563805278 /nfs/dbraw/zinc/80/52/78/563805278.db2.gz OVBJKLBAHSQLED-ZJUUUORDSA-N 0 0 393.241 2.996 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000366337563 563805434 /nfs/dbraw/zinc/80/54/34/563805434.db2.gz GSSICOCHEZCPKB-FZMZJTMJSA-N 0 0 392.886 2.581 20 5 GFBDRN C[C@@]1(O)C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000416274318 563813139 /nfs/dbraw/zinc/81/31/39/563813139.db2.gz CLASYEDYHSRYGE-HWJBBNHMSA-N 0 0 385.207 2.731 20 5 GFBDRN CC(C)(C)[C@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416401204 563823279 /nfs/dbraw/zinc/82/32/79/563823279.db2.gz IKGPNEMKBTWMBW-LBPRGKRZSA-N 0 0 384.376 2.689 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N(CCCCO)C1CC1 ZINC000416453285 563830803 /nfs/dbraw/zinc/83/08/03/563830803.db2.gz COBKFMDLJRJHSM-UHFFFAOYSA-N 0 0 382.360 2.539 20 5 GFBDRN C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457192 563831411 /nfs/dbraw/zinc/83/14/11/563831411.db2.gz XBPOKOHQYIHVCK-UWVGGRQHSA-N 0 0 382.360 2.707 20 5 GFBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)CCOCC2CCCC2)c(Cl)c1 ZINC000416466707 563832903 /nfs/dbraw/zinc/83/29/03/563832903.db2.gz RJYWNVSQUMKREG-UHFFFAOYSA-N 0 0 376.862 2.874 20 5 GFBDRN C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@]1=O ZINC000294250132 563836055 /nfs/dbraw/zinc/83/60/55/563836055.db2.gz PMNWQZQDUJYJFO-UVJXUPGXSA-N 0 0 377.369 2.571 20 5 GFBDRN C[C@H]1COCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490019 563838093 /nfs/dbraw/zinc/83/80/93/563838093.db2.gz TWZUXYUJQDWHHU-UWVGGRQHSA-N 0 0 382.360 2.565 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@H]3c3nnc[nH]3)n2)c(Br)c1 ZINC000367302094 563840159 /nfs/dbraw/zinc/84/01/59/563840159.db2.gz UHUJTMPESKCZCR-ZJUUUORDSA-N 0 0 391.185 2.720 20 5 GFBDRN Cc1ncc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c(N)n1 ZINC000445474796 563849584 /nfs/dbraw/zinc/84/95/84/563849584.db2.gz WNNAVUSBGPSPOZ-UHFFFAOYSA-N 0 0 377.158 2.585 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(I)c2)n1 ZINC000445579582 563850788 /nfs/dbraw/zinc/85/07/88/563850788.db2.gz OWFSKQBIKODYKX-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN Cc1ccc(CS(=O)(=O)Cc2c([N+](=O)[O-])ncn2C)cc1Br ZINC000445568439 563850972 /nfs/dbraw/zinc/85/09/72/563850972.db2.gz YTXWEHBECPWDKP-UHFFFAOYSA-N 0 0 388.243 2.514 20 5 GFBDRN Cc1nc2sccn2c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000445736694 563853005 /nfs/dbraw/zinc/85/30/05/563853005.db2.gz XOSDVBAZFNGGAS-UHFFFAOYSA-N 0 0 384.414 2.572 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)O1 ZINC000416609067 563853287 /nfs/dbraw/zinc/85/32/87/563853287.db2.gz UBOOHPZETCEXKS-OPRDCNLKSA-N 0 0 382.360 2.705 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000445738742 563853560 /nfs/dbraw/zinc/85/35/60/563853560.db2.gz ALVGDRMKAVEMJA-OPRDCNLKSA-N 0 0 393.259 2.544 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000416644430 563857065 /nfs/dbraw/zinc/85/70/65/563857065.db2.gz IPHFRQVMAJLVID-LLVKDONJSA-N 0 0 395.275 2.697 20 5 GFBDRN C[C@@H](CN1CCOCC1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447655749 563884221 /nfs/dbraw/zinc/88/42/21/563884221.db2.gz FOYNIBUGZWWESD-LBPRGKRZSA-N 0 0 387.889 2.519 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000471257224 564190850 /nfs/dbraw/zinc/19/08/50/564190850.db2.gz GHSYIVXXLUYNMH-UHFFFAOYSA-N 0 0 388.854 2.952 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000563748571 564205099 /nfs/dbraw/zinc/20/50/99/564205099.db2.gz VPWMXQDHCCHVDZ-UHFFFAOYSA-N 0 0 386.246 2.524 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000563814701 564208006 /nfs/dbraw/zinc/20/80/06/564208006.db2.gz RMZMTAPOAGKLLN-ZBEGNZNMSA-N 0 0 386.857 2.750 20 5 GFBDRN Cc1nc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)ncc1[N+](=O)[O-] ZINC000450268195 564224829 /nfs/dbraw/zinc/22/48/29/564224829.db2.gz CQOZRVVSNIVFOY-GFCCVEGCSA-N 0 0 392.257 2.816 20 5 GFBDRN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539798398 564228544 /nfs/dbraw/zinc/22/85/44/564228544.db2.gz NCQWXDLDZCGEGL-AWEZNQCLSA-N 0 0 383.173 2.960 20 5 GFBDRN Cc1nc(N2CCN(c3cccc(Br)c3)CC2)ncc1[N+](=O)[O-] ZINC000450518859 564236881 /nfs/dbraw/zinc/23/68/81/564236881.db2.gz REFRHUIIRRGMEE-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN C[C@H]1C[C@@H](O)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000472993450 564237981 /nfs/dbraw/zinc/23/79/81/564237981.db2.gz ZDZHKXWSMAUQHR-WCBMZHEXSA-N 0 0 385.207 2.683 20 5 GFBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(I)c[nH]1 ZINC000473340698 564244382 /nfs/dbraw/zinc/24/43/82/564244382.db2.gz OHZIQPRYWUBLMD-UHFFFAOYSA-N 0 0 375.097 2.919 20 5 GFBDRN COCC[C@H](COC)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000564760364 564248419 /nfs/dbraw/zinc/24/84/19/564248419.db2.gz HDZBQLSPENHIBT-SNVBAGLBSA-N 0 0 376.207 2.530 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000508020950 564251094 /nfs/dbraw/zinc/25/10/94/564251094.db2.gz BUGXITGHTBBXQX-UHFFFAOYSA-N 0 0 378.834 2.519 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(N2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000450909015 564254873 /nfs/dbraw/zinc/25/48/73/564254873.db2.gz VLQHTWVXMQUNSB-INIZCTEOSA-N 0 0 385.511 2.569 20 5 GFBDRN Cn1ccnc1[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450953594 564256224 /nfs/dbraw/zinc/25/62/24/564256224.db2.gz ZHBBMGYOCVTMSL-JOYOIKCWSA-N 0 0 382.218 2.818 20 5 GFBDRN C[C@H](SCC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451075282 564271271 /nfs/dbraw/zinc/27/12/71/564271271.db2.gz AKJGDGFPURCNOR-QMMMGPOBSA-N 0 0 379.360 2.762 20 5 GFBDRN Cc1c(Br)c(=O)n(CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000541291128 564273410 /nfs/dbraw/zinc/27/34/10/564273410.db2.gz PJXPHEUMZZNUDX-UHFFFAOYSA-N 0 0 375.219 2.949 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000474289508 564273653 /nfs/dbraw/zinc/27/36/53/564273653.db2.gz BENIIWFMFKKJJA-LBPRGKRZSA-N 0 0 384.797 2.669 20 5 GFBDRN NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000565473155 564283002 /nfs/dbraw/zinc/28/30/02/564283002.db2.gz TVECAHKZXVYWAV-NSHDSACASA-N 0 0 377.813 2.761 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F ZINC000541656258 564286068 /nfs/dbraw/zinc/28/60/68/564286068.db2.gz IRUPMIJIIHHQQR-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN COc1cnc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(Br)c1 ZINC000565564161 564286402 /nfs/dbraw/zinc/28/64/02/564286402.db2.gz GMWFHDBSXYEQKE-UHFFFAOYSA-N 0 0 398.217 2.603 20 5 GFBDRN COCCNc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000542087909 564300736 /nfs/dbraw/zinc/30/07/36/564300736.db2.gz XSNKBLNXAJGNET-UHFFFAOYSA-N 0 0 385.467 2.730 20 5 GFBDRN Cc1ncc(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)cn1 ZINC000509524403 564303039 /nfs/dbraw/zinc/30/30/39/564303039.db2.gz FBEZMGOMWLSFDV-UHFFFAOYSA-N 0 0 398.160 2.859 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000542219028 564305261 /nfs/dbraw/zinc/30/52/61/564305261.db2.gz YWAUXFVHRDWOLG-UHFFFAOYSA-N 0 0 393.193 2.741 20 5 GFBDRN Cn1c(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000542368958 564311415 /nfs/dbraw/zinc/31/14/15/564311415.db2.gz ZERNUWVLFSOOMJ-UHFFFAOYSA-N 0 0 381.845 2.663 20 5 GFBDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000475643123 564314555 /nfs/dbraw/zinc/31/45/55/564314555.db2.gz ISHCWPMDVNAWJV-OCCSQVGLSA-N 0 0 386.495 2.745 20 5 GFBDRN O=C(NCc1ccn2ccnc2c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000475719354 564317032 /nfs/dbraw/zinc/31/70/32/564317032.db2.gz HEQRJLDXPRQRKG-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN CCc1ccc(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC000566228992 564317832 /nfs/dbraw/zinc/31/78/32/564317832.db2.gz DQIWWWZAIPVUTM-DEOSSOPVSA-N 0 0 382.463 2.837 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000542762785 564325120 /nfs/dbraw/zinc/32/51/20/564325120.db2.gz YTZAJXVGLVTQSN-UHFFFAOYSA-N 0 0 386.788 2.801 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000542764575 564325130 /nfs/dbraw/zinc/32/51/30/564325130.db2.gz KEADTJHWFNBAJP-LBPRGKRZSA-N 0 0 381.841 2.890 20 5 GFBDRN Nc1nccc(C(=O)NCC2(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000566444295 564327743 /nfs/dbraw/zinc/32/77/43/564327743.db2.gz MLJKSLYDKADHTL-UHFFFAOYSA-N 0 0 391.225 2.626 20 5 GFBDRN COc1c(S(=O)(=O)N2C[C@H](C)[C@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451616890 564331997 /nfs/dbraw/zinc/33/19/97/564331997.db2.gz WSWZMQOFSFNGIT-IONNQARKSA-N 0 0 393.259 2.703 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451646677 564334983 /nfs/dbraw/zinc/33/49/83/564334983.db2.gz JREGXRBKCADHLH-QMMMGPOBSA-N 0 0 376.378 2.601 20 5 GFBDRN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000476319982 564335127 /nfs/dbraw/zinc/33/51/27/564335127.db2.gz LQBWMMFIXGSEML-BDAKNGLRSA-N 0 0 379.360 2.576 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543025879 564335656 /nfs/dbraw/zinc/33/56/56/564335656.db2.gz AFUWSPFEKUHCLE-CYBMUJFWSA-N 0 0 390.193 2.503 20 5 GFBDRN CCSc1cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000566910272 564348237 /nfs/dbraw/zinc/34/82/37/564348237.db2.gz JDCFRYMYFKPWIZ-UHFFFAOYSA-N 0 0 381.479 2.665 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000566947466 564350486 /nfs/dbraw/zinc/35/04/86/564350486.db2.gz QYPWEHFXPQGEJJ-MLGOLLRUSA-N 0 0 378.226 2.752 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl ZINC000451785084 564351657 /nfs/dbraw/zinc/35/16/57/564351657.db2.gz FRTCBSFSINMIQL-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000510964351 564351840 /nfs/dbraw/zinc/35/18/40/564351840.db2.gz CRNKOEQGYCVUBL-SSDOTTSWSA-N 0 0 377.756 2.961 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893726 564363223 /nfs/dbraw/zinc/36/32/23/564363223.db2.gz CEAAZBZAYDOTDS-JSGCOSHPSA-N 0 0 383.451 2.558 20 5 GFBDRN C[C@H](O)C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000544027596 564371646 /nfs/dbraw/zinc/37/16/46/564371646.db2.gz DMXPPQKUDFRVSB-IUCAKERBSA-N 0 0 387.223 2.977 20 5 GFBDRN CCc1nnc([C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]1 ZINC000477310903 564373429 /nfs/dbraw/zinc/37/34/29/564373429.db2.gz SPPZYGYDYQPVQK-MRVPVSSYSA-N 0 0 382.218 2.837 20 5 GFBDRN CN(Cc1nnc2n1CCC2)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544206097 564379283 /nfs/dbraw/zinc/37/92/83/564379283.db2.gz LHGSGHWEWCHECO-UHFFFAOYSA-N 0 0 381.845 2.537 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000568142493 564406375 /nfs/dbraw/zinc/40/63/75/564406375.db2.gz QKVTYLVBOLEZLQ-ZIAGYGMSSA-N 0 0 388.205 2.953 20 5 GFBDRN O=[N+]([O-])c1cc(CS(=O)(=O)Cc2ncc(Cl)s2)c2c(c1)COCO2 ZINC000478727905 564413581 /nfs/dbraw/zinc/41/35/81/564413581.db2.gz WVKKWCZCVRVJFP-UHFFFAOYSA-N 0 0 390.826 2.686 20 5 GFBDRN CC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000452484369 564418099 /nfs/dbraw/zinc/41/80/99/564418099.db2.gz MEWLBEKKRJDWQH-GXSJLCMTSA-N 0 0 381.173 2.800 20 5 GFBDRN COc1cc(Br)ccc1-c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000545786031 564432246 /nfs/dbraw/zinc/43/22/46/564432246.db2.gz PWRULDGCBIQPBH-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN CC(C)N1CC[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1=O ZINC000513735771 564436921 /nfs/dbraw/zinc/43/69/21/564436921.db2.gz RUJGEKRKVHWPQO-CYBMUJFWSA-N 0 0 393.241 2.749 20 5 GFBDRN CS(=O)(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000479388931 564438110 /nfs/dbraw/zinc/43/81/10/564438110.db2.gz JUYRDPMROCGVAJ-AWEZNQCLSA-N 0 0 382.825 2.764 20 5 GFBDRN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452943727 564438965 /nfs/dbraw/zinc/43/89/65/564438965.db2.gz RJLWGIYSQVMCJR-ZFWWWQNUSA-N 0 0 383.242 2.884 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C3CC3)C2)c(Br)c1 ZINC000479456436 564440612 /nfs/dbraw/zinc/44/06/12/564440612.db2.gz MZRMEBOOPNOSBG-SNVBAGLBSA-N 0 0 375.244 2.778 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000479614083 564445593 /nfs/dbraw/zinc/44/55/93/564445593.db2.gz OKKIIEYEHJVGJV-TVQRCGJNSA-N 0 0 385.214 2.771 20 5 GFBDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000569178792 564452480 /nfs/dbraw/zinc/45/24/80/564452480.db2.gz GWCMGRCFDCSAIF-SECBINFHSA-N 0 0 381.376 2.678 20 5 GFBDRN C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000480552552 564477803 /nfs/dbraw/zinc/47/78/03/564477803.db2.gz OXERUPGPWFFWOR-GXSJLCMTSA-N 0 0 381.376 2.622 20 5 GFBDRN COc1cc(Br)ccc1-c1noc(Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000547196058 564479617 /nfs/dbraw/zinc/47/96/17/564479617.db2.gz SZSVFWLUUUGKSW-UHFFFAOYSA-N 0 0 394.185 2.969 20 5 GFBDRN CC[C@H](CSC)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515491558 564480862 /nfs/dbraw/zinc/48/08/62/564480862.db2.gz IDVWDKTZMBGFJN-SECBINFHSA-N 0 0 390.259 2.554 20 5 GFBDRN CSc1ccc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000547354715 564486045 /nfs/dbraw/zinc/48/60/45/564486045.db2.gz HMRGZAXEXLVGAU-UHFFFAOYSA-N 0 0 380.813 2.620 20 5 GFBDRN O=C(CNc1ncc([N+](=O)[O-])cc1Br)N1Cc2ccccc2C1 ZINC000480843506 564490953 /nfs/dbraw/zinc/49/09/53/564490953.db2.gz MWPYBHIXKSNFOH-UHFFFAOYSA-N 0 0 377.198 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CC1=C[C@@H](C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551478138 564651376 /nfs/dbraw/zinc/65/13/76/564651376.db2.gz FSKNFXMQWXWQFF-SECBINFHSA-N 0 0 382.214 2.720 20 5 GFBDRN CS(=O)(=O)c1cccnc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000486465335 564653398 /nfs/dbraw/zinc/65/33/98/564653398.db2.gz GBEWDOXKAQGADV-UHFFFAOYSA-N 0 0 386.227 2.768 20 5 GFBDRN O=C1CN(Cc2ccccc2)[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000486596439 564658660 /nfs/dbraw/zinc/65/86/60/564658660.db2.gz BMZFQSGLIIAYPG-MRXNPFEDSA-N 0 0 376.210 2.988 20 5 GFBDRN CC[C@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486636427 564660549 /nfs/dbraw/zinc/66/05/49/564660549.db2.gz FDFKPWQSWVTCMN-DTWKUNHWSA-N 0 0 387.849 2.919 20 5 GFBDRN CC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000523725208 564671629 /nfs/dbraw/zinc/67/16/29/564671629.db2.gz MRKAZDPGRYNFOC-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN COCCN(Cc1scnc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000487336761 564683281 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COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000460273846 564773156 /nfs/dbraw/zinc/77/31/56/564773156.db2.gz LEOJVLIMUKJHOR-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CS(=O)(=O)c1c(Cl)cccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000460264087 564773222 /nfs/dbraw/zinc/77/32/22/564773222.db2.gz OWLYUZJLTDIKCZ-UHFFFAOYSA-N 0 0 384.797 2.669 20 5 GFBDRN NC(=O)c1cnn2c1C[C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000580850901 564776336 /nfs/dbraw/zinc/77/63/36/564776336.db2.gz URYXCRKWWMQQRX-MRVPVSSYSA-N 0 0 384.223 2.872 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000461514251 564799596 /nfs/dbraw/zinc/79/95/96/564799596.db2.gz HDQDRBVZDJDYMR-CYBMUJFWSA-N 0 0 386.495 2.745 20 5 GFBDRN Cc1cccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c1[N+](=O)[O-] ZINC000461636433 564801646 /nfs/dbraw/zinc/80/16/46/564801646.db2.gz QDABRJHUGQMJHP-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000581480356 564804582 /nfs/dbraw/zinc/80/45/82/564804582.db2.gz PDDJDRCULSSGGF-CQSZACIVSA-N 0 0 397.200 2.889 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CC(F)(F)F ZINC000555930095 564808777 /nfs/dbraw/zinc/80/87/77/564808777.db2.gz ANTRJPZEIYTEFF-ZETCQYMHSA-N 0 0 385.136 2.709 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cn1 ZINC000556258658 564816342 /nfs/dbraw/zinc/81/63/42/564816342.db2.gz COBACGWETILHEM-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN CC(C)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556512537 564828866 /nfs/dbraw/zinc/82/88/66/564828866.db2.gz JJOMZOALBVWXNH-ZDUSSCGKSA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1c(Br)c(N2CCN(c3ccccc3)C(=O)C2)ncc1[N+](=O)[O-] ZINC000462698372 564855571 /nfs/dbraw/zinc/85/55/71/564855571.db2.gz YDHLKMSVMWPVAY-UHFFFAOYSA-N 0 0 391.225 2.914 20 5 GFBDRN C[C@@]1(O)CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933722 564868270 /nfs/dbraw/zinc/86/82/70/564868270.db2.gz SLZXWYADTIWLGD-CYBMUJFWSA-N 0 0 376.194 2.546 20 5 GFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc(Br)cn1 ZINC000557686766 564872445 /nfs/dbraw/zinc/87/24/45/564872445.db2.gz PNKVTJCJOMEANM-CYBMUJFWSA-N 0 0 395.257 2.939 20 5 GFBDRN O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000557937163 564886125 /nfs/dbraw/zinc/88/61/25/564886125.db2.gz GIFLQUAAAKRPEE-SECBINFHSA-N 0 0 379.360 2.720 20 5 GFBDRN CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000530710135 564892054 /nfs/dbraw/zinc/89/20/54/564892054.db2.gz SPSBIXNNNCPFKA-UHFFFAOYSA-N 0 0 397.185 2.818 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOc2ccncc21 ZINC000530931657 564897694 /nfs/dbraw/zinc/89/76/94/564897694.db2.gz HRMYISNRKMAILF-UHFFFAOYSA-N 0 0 390.204 2.884 20 5 GFBDRN Cc1cc(NC(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])n(C)n1 ZINC000531482129 564911271 /nfs/dbraw/zinc/91/12/71/564911271.db2.gz KNTIXCZJZUTJCS-UHFFFAOYSA-N 0 0 383.202 2.725 20 5 GFBDRN COCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCOC1 ZINC000584000861 564915772 /nfs/dbraw/zinc/91/57/72/564915772.db2.gz DLQLNZMLJJYTJQ-NSHDSACASA-N 0 0 387.230 2.543 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2N2CCOCC2)c(Br)c1 ZINC000531656909 564917360 /nfs/dbraw/zinc/91/73/60/564917360.db2.gz RNFKPWCEDHAWDA-ZIAGYGMSSA-N 0 0 385.262 2.808 20 5 GFBDRN CCc1nocc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000559370751 564931503 /nfs/dbraw/zinc/93/15/03/564931503.db2.gz URGBAHMTWYZHSU-UHFFFAOYSA-N 0 0 397.229 2.978 20 5 GFBDRN COc1ccc(CC(=O)Nc2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000532244884 564932275 /nfs/dbraw/zinc/93/22/75/564932275.db2.gz UQLQZYXTDXBKLA-UHFFFAOYSA-N 0 0 376.316 2.741 20 5 GFBDRN CCSCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000499697798 564934067 /nfs/dbraw/zinc/93/40/67/564934067.db2.gz VWNHZHYBAMXEJP-UHFFFAOYSA-N 0 0 383.289 2.779 20 5 GFBDRN Cc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000532614435 564941491 /nfs/dbraw/zinc/94/14/91/564941491.db2.gz INMCYYLQJKTWDE-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN COc1cccc(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560193038 564953382 /nfs/dbraw/zinc/95/33/82/564953382.db2.gz ZZJPJOXRHOJMDA-UHFFFAOYSA-N 0 0 394.181 2.943 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000467069168 564955201 /nfs/dbraw/zinc/95/52/01/564955201.db2.gz JCFFTAJJFUZGBX-WBNWAKSLSA-N 0 0 388.492 2.742 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 ZINC000533179495 564957164 /nfs/dbraw/zinc/95/71/64/564957164.db2.gz PGMHGPHZSUPMQY-UHFFFAOYSA-N 0 0 393.252 2.939 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000467398583 564961659 /nfs/dbraw/zinc/96/16/59/564961659.db2.gz KDIUJGSNEFIQDJ-UHFFFAOYSA-N 0 0 378.435 2.629 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000501082419 564970040 /nfs/dbraw/zinc/97/00/40/564970040.db2.gz DOWJOBUCMBSQSO-PRHODGIISA-N 0 0 386.202 2.773 20 5 GFBDRN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000533698501 564971118 /nfs/dbraw/zinc/97/11/18/564971118.db2.gz BWZWXRVVANGMES-OIRASMEMSA-N 0 0 382.463 2.513 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467764627 564971842 /nfs/dbraw/zinc/97/18/42/564971842.db2.gz AHWDAQPOHQKFBK-UHFFFAOYSA-N 0 0 392.861 2.909 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC(Cc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000467795538 564972713 /nfs/dbraw/zinc/97/27/13/564972713.db2.gz DYHHVZLXJGWKED-UHFFFAOYSA-N 0 0 381.841 2.575 20 5 GFBDRN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501292198 564975872 /nfs/dbraw/zinc/97/58/72/564975872.db2.gz NIBWAYDONHXANM-UHFFFAOYSA-N 0 0 381.186 2.529 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501358340 564977248 /nfs/dbraw/zinc/97/72/48/564977248.db2.gz SJJIGYKIURWXPW-SECBINFHSA-N 0 0 379.214 2.678 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cc(Br)cc(F)c2C1 ZINC000561206564 564987647 /nfs/dbraw/zinc/98/76/47/564987647.db2.gz TYVQDLREPFQOLO-UHFFFAOYSA-N 0 0 396.216 2.716 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccc(Br)cc2C1 ZINC000561293667 564989900 /nfs/dbraw/zinc/98/99/00/564989900.db2.gz ZUUOPJPUZYGGLS-UHFFFAOYSA-N 0 0 393.241 2.837 20 5 GFBDRN CCN1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000468731800 564991461 /nfs/dbraw/zinc/99/14/61/564991461.db2.gz CPELLQRBFUPZGI-UHFFFAOYSA-N 0 0 393.241 2.964 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([N+](=O)[O-])c1 ZINC000468948425 565000172 /nfs/dbraw/zinc/00/01/72/565000172.db2.gz LCUCTJSVGFIMPM-GFCCVEGCSA-N 0 0 382.360 2.955 20 5 GFBDRN CCOC(=O)[C@@H](CC)N(C1CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000468970765 565000985 /nfs/dbraw/zinc/00/09/85/565000985.db2.gz OWNSZCWLPPZTBA-GFCCVEGCSA-N 0 0 390.845 2.743 20 5 GFBDRN CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000469028642 565003264 /nfs/dbraw/zinc/00/32/64/565003264.db2.gz SRJDYYJHROYWGJ-UHFFFAOYSA-N 0 0 380.198 2.572 20 5 GFBDRN CS(=O)(=O)c1cccc(N2CCC[C@@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000535730998 565019546 /nfs/dbraw/zinc/01/95/46/565019546.db2.gz MODPXMSMPBCSAM-SNVBAGLBSA-N 0 0 382.360 2.546 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000562399974 565027595 /nfs/dbraw/zinc/02/75/95/565027595.db2.gz DKUVCPUFUDYZQJ-UHFFFAOYSA-N 0 0 395.213 2.764 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000536423183 565036615 /nfs/dbraw/zinc/03/66/15/565036615.db2.gz RSNAOSOVLZPPAR-HNNXBMFYSA-N 0 0 379.210 2.750 20 5 GFBDRN COc1ccccc1C(=O)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000536462308 565037834 /nfs/dbraw/zinc/03/78/34/565037834.db2.gz CXNVUCNNNCFLFE-UHFFFAOYSA-N 0 0 393.193 2.979 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000536555325 565040915 /nfs/dbraw/zinc/04/09/15/565040915.db2.gz UGKNDWLNMCKKBF-UHFFFAOYSA-N 0 0 385.804 2.792 20 5 GFBDRN Cc1cscc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470432862 565045356 /nfs/dbraw/zinc/04/53/56/565045356.db2.gz NCXSSQDAXZBNBG-GFCCVEGCSA-N 0 0 379.463 2.947 20 5 GFBDRN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000562857411 565045453 /nfs/dbraw/zinc/04/54/53/565045453.db2.gz DYHUWJTYMLCDBI-SNVBAGLBSA-N 0 0 394.229 2.827 20 5 GFBDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536822031 565047687 /nfs/dbraw/zinc/04/76/87/565047687.db2.gz PKLCVCCTRUHTTN-MRVPVSSYSA-N 0 0 385.193 2.591 20 5 GFBDRN COC(=O)[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470573059 565049149 /nfs/dbraw/zinc/04/91/49/565049149.db2.gz GCEGRQDFZVSCSD-KOLCDFICSA-N 0 0 385.214 2.689 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CNc2cnccc2CO)c1 ZINC000584439172 565079925 /nfs/dbraw/zinc/07/99/25/565079925.db2.gz IKTXITGYWNPNBI-UHFFFAOYSA-N 0 0 385.161 2.699 20 5 GFBDRN CCOC(=O)C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585701316 565105039 /nfs/dbraw/zinc/10/50/39/565105039.db2.gz CQDWZSZJTSHRHZ-VIFPVBQESA-N 0 0 387.230 2.985 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1C ZINC000586772194 565115998 /nfs/dbraw/zinc/11/59/98/565115998.db2.gz PFJLBZMKFAEGMZ-CABZTGNLSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000586772587 565116239 /nfs/dbraw/zinc/11/62/39/565116239.db2.gz OAKUSJITFFEYPC-CPCISQLKSA-N 0 0 388.751 2.589 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588144247 565128964 /nfs/dbraw/zinc/12/89/64/565128964.db2.gz BIWTUXKHTGGVGF-CYBMUJFWSA-N 0 0 384.841 2.611 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000614858367 565136773 /nfs/dbraw/zinc/13/67/73/565136773.db2.gz YAHKXHJVOGILCA-ZDUSSCGKSA-N 0 0 382.360 2.635 20 5 GFBDRN O=[N+]([O-])c1cnccc1NCc1nc(-c2cccc(Br)c2)no1 ZINC000588834188 565141065 /nfs/dbraw/zinc/14/10/65/565141065.db2.gz PUYPFYVGQIISHW-UHFFFAOYSA-N 0 0 376.170 2.836 20 5 GFBDRN C[C@H]1CC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591327539 565223859 /nfs/dbraw/zinc/22/38/59/565223859.db2.gz OXLRUYNVQMFYHJ-IUCAKERBSA-N 0 0 382.360 2.848 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000591469319 565230861 /nfs/dbraw/zinc/23/08/61/565230861.db2.gz FHDQJFMGBJKEFH-JTQLQIEISA-N 0 0 382.360 2.957 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000617409681 565236847 /nfs/dbraw/zinc/23/68/47/565236847.db2.gz PJMKQNDFXWMGRP-CQSZACIVSA-N 0 0 395.209 2.829 20 5 GFBDRN CC[C@@H](C)C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082509 565254108 /nfs/dbraw/zinc/25/41/08/565254108.db2.gz IRLSKLZAIKRQEQ-NXEZZACHSA-N 0 0 384.376 2.689 20 5 GFBDRN C[C@@H]1SCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113618 565258526 /nfs/dbraw/zinc/25/85/26/565258526.db2.gz OBAYABUEMGDVBG-OIBJUYFYSA-N 0 0 381.273 2.530 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000592324573 565269201 /nfs/dbraw/zinc/26/92/01/565269201.db2.gz IPJMMIGXZWRWNY-JBLDHEPKSA-N 0 0 396.241 2.909 20 5 GFBDRN C[C@H]1SCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000592734739 565290949 /nfs/dbraw/zinc/29/09/49/565290949.db2.gz IINJRAUHMCKMHP-RDDDGLTNSA-N 0 0 392.218 2.823 20 5 GFBDRN COc1cc(Cl)ccc1S(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592993772 565306514 /nfs/dbraw/zinc/30/65/14/565306514.db2.gz MBEAAVLKXLQCKP-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000619252713 565333252 /nfs/dbraw/zinc/33/32/52/565333252.db2.gz NULZLPNSXHRIBJ-STQMWFEESA-N 0 0 387.864 2.985 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000593589440 565345418 /nfs/dbraw/zinc/34/54/18/565345418.db2.gz SZBQHFRAHYVDPI-UHFFFAOYSA-N 0 0 388.808 2.610 20 5 GFBDRN O=C([C@@H]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1)N1CCCCC1 ZINC000619549792 565348081 /nfs/dbraw/zinc/34/80/81/565348081.db2.gz NTORPMXARLVSNA-NEPJUHHUSA-N 0 0 397.273 2.767 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593642255 565351595 /nfs/dbraw/zinc/35/15/95/565351595.db2.gz LTWHPTBNIUCSIM-CABZTGNLSA-N 0 0 393.259 2.545 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000593665052 565354884 /nfs/dbraw/zinc/35/48/84/565354884.db2.gz BAFAZVLIFGGZOC-NSHDSACASA-N 0 0 397.197 2.777 20 5 GFBDRN CC[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593666893 565355379 /nfs/dbraw/zinc/35/53/79/565355379.db2.gz DUYFMMGLVJUJBB-LLVKDONJSA-N 0 0 392.861 2.989 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCOc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC000619820234 565360044 /nfs/dbraw/zinc/36/00/44/565360044.db2.gz IHYMKUNSKUCNAN-UHFFFAOYSA-N 0 0 395.213 2.678 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000619820294 565360071 /nfs/dbraw/zinc/36/00/71/565360071.db2.gz ZDEMUHYZLBSKFX-UHFFFAOYSA-N 0 0 392.209 2.974 20 5 GFBDRN COCCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594056880 565374597 /nfs/dbraw/zinc/37/45/97/565374597.db2.gz GVMJQOZGWOPFOF-NSHDSACASA-N 0 0 385.726 2.652 20 5 GFBDRN CC(C)OC(=O)C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000594599103 565401967 /nfs/dbraw/zinc/40/19/67/565401967.db2.gz DGGJFVMJOYDILO-SNVBAGLBSA-N 0 0 378.472 2.838 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCCc3cc(Cl)ccc32)c([N+](=O)[O-])n1 ZINC000594728784 565412919 /nfs/dbraw/zinc/41/29/19/565412919.db2.gz GGWDMYDXKLKSJC-UHFFFAOYSA-N 0 0 384.845 2.996 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000594819746 565425022 /nfs/dbraw/zinc/42/50/22/565425022.db2.gz VXNVXUXBIWXCRX-CYBMUJFWSA-N 0 0 382.360 2.763 20 5 GFBDRN CN(CC1=CCCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594845699 565428637 /nfs/dbraw/zinc/42/86/37/565428637.db2.gz WXONADAJFDKVBC-UHFFFAOYSA-N 0 0 380.344 2.581 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000594871220 565433554 /nfs/dbraw/zinc/43/35/54/565433554.db2.gz YNBRXXMKHOXUMV-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380739 565471663 /nfs/dbraw/zinc/47/16/63/565471663.db2.gz CDHVMPRQVFLJIQ-IAQYHMDHSA-N 0 0 384.841 2.691 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595407294 565474693 /nfs/dbraw/zinc/47/46/93/565474693.db2.gz LWOCISFLTMIPSO-BDJLRTHQSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415234 565475415 /nfs/dbraw/zinc/47/54/15/565475415.db2.gz KLVONCCBPHIQLS-RTHLEPHNSA-N 0 0 398.815 2.990 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415828 565475619 /nfs/dbraw/zinc/47/56/19/565475619.db2.gz OGRPMCNKSSCUGJ-ZUZCIYMTSA-N 0 0 378.397 2.590 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595415314 565475752 /nfs/dbraw/zinc/47/57/52/565475752.db2.gz LVDJPCFRIKEIHT-AMIZOPFISA-N 0 0 384.788 2.681 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000595414889 565475829 /nfs/dbraw/zinc/47/58/29/565475829.db2.gz HLKLVISLEJGAPX-BMIGLBTASA-N 0 0 378.397 2.645 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595417822 565476418 /nfs/dbraw/zinc/47/64/18/565476418.db2.gz YLHNSMVQQUQBRL-XHDPSFHLSA-N 0 0 378.397 2.645 20 5 GFBDRN C[C@]1(C(F)F)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595584395 565483377 /nfs/dbraw/zinc/48/33/77/565483377.db2.gz DJXJULPRDBPVFR-OAHLLOKOSA-N 0 0 377.775 2.856 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000595639444 565485925 /nfs/dbraw/zinc/48/59/25/565485925.db2.gz YEXGSRRVENQKPA-SWHYSGLUSA-N 0 0 380.388 2.872 20 5 GFBDRN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000595854091 565495378 /nfs/dbraw/zinc/49/53/78/565495378.db2.gz YVDIKDWWPGDAON-CQSZACIVSA-N 0 0 387.223 2.944 20 5 GFBDRN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(Br)cc2O1 ZINC000595904398 565496621 /nfs/dbraw/zinc/49/66/21/565496621.db2.gz YEHDODXGASXEKI-LLVKDONJSA-N 0 0 394.225 2.807 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000596257335 565516727 /nfs/dbraw/zinc/51/67/27/565516727.db2.gz NBYPVZHLOMYMNE-AWEZNQCLSA-N 0 0 389.271 2.762 20 5 GFBDRN CN(C[C@H]1COCCO1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000596457713 565525224 /nfs/dbraw/zinc/52/52/24/565525224.db2.gz FUFGAFSULGMKDS-NSHDSACASA-N 0 0 382.214 2.757 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000596899305 565540753 /nfs/dbraw/zinc/54/07/53/565540753.db2.gz DTBSITFFSIABKW-SNVBAGLBSA-N 0 0 395.217 2.503 20 5 GFBDRN O=C(c1ccsc1Cl)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000597700568 565570364 /nfs/dbraw/zinc/57/03/64/565570364.db2.gz KZUGBJXACXMUFO-UHFFFAOYSA-N 0 0 379.825 2.908 20 5 GFBDRN Cc1c(Br)cc(C(=O)Nc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000597899289 565580745 /nfs/dbraw/zinc/58/07/45/565580745.db2.gz ZSUJUZVQRDHCRI-UHFFFAOYSA-N 0 0 380.202 2.924 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000597930733 565582641 /nfs/dbraw/zinc/58/26/41/565582641.db2.gz FMGSBGMRUGPNAK-MADCSZMMSA-N 0 0 380.202 2.693 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000597930732 565582889 /nfs/dbraw/zinc/58/28/89/565582889.db2.gz FMGSBGMRUGPNAK-KRTXAFLBSA-N 0 0 380.202 2.693 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000597999335 565588362 /nfs/dbraw/zinc/58/83/62/565588362.db2.gz TTYNCHFZYRSACR-UHFFFAOYSA-N 0 0 384.223 2.896 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000598188889 565599702 /nfs/dbraw/zinc/59/97/02/565599702.db2.gz WRRQRUUBBATDRH-VXGBXAGGSA-N 0 0 386.495 2.792 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000598194909 565601738 /nfs/dbraw/zinc/60/17/38/565601738.db2.gz SOZPWOJHHKAVPT-ZDUSSCGKSA-N 0 0 380.198 2.899 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000598232105 565604018 /nfs/dbraw/zinc/60/40/18/565604018.db2.gz VTHVXNUPIBFSBP-OAHLLOKOSA-N 0 0 394.225 2.910 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000598425111 565616044 /nfs/dbraw/zinc/61/60/44/565616044.db2.gz UJZFSTAMUJOCEE-ZDUSSCGKSA-N 0 0 379.214 2.836 20 5 GFBDRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)s1 ZINC000598560015 565626713 /nfs/dbraw/zinc/62/67/13/565626713.db2.gz NDMAMCHYEBJHPT-VIFPVBQESA-N 0 0 381.435 2.919 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598626477 565630640 /nfs/dbraw/zinc/63/06/40/565630640.db2.gz WVLUVKZYSAYGLV-BDAKNGLRSA-N 0 0 383.253 2.541 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598832602 565644301 /nfs/dbraw/zinc/64/43/01/565644301.db2.gz ROYCCHUHVQWMQP-UHFFFAOYSA-N 0 0 394.229 2.943 20 5 GFBDRN O=[N+]([O-])c1c(Sc2nnc(N3CCOCC3)s2)ccc2cnccc21 ZINC000599026746 565654301 /nfs/dbraw/zinc/65/43/01/565654301.db2.gz FKYBWDGNANNOGB-UHFFFAOYSA-N 0 0 375.435 2.982 20 5 GFBDRN CCN(CC)C(=O)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599072618 565654793 /nfs/dbraw/zinc/65/47/93/565654793.db2.gz KXJREVUZIXIOHW-UHFFFAOYSA-N 0 0 386.246 2.736 20 5 GFBDRN NS(=O)(=O)c1c(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cccc1[N+](=O)[O-] ZINC000599166460 565658690 /nfs/dbraw/zinc/65/86/90/565658690.db2.gz DEYAIJWBLKIWKF-WKPIXPDZSA-N 0 0 379.825 2.646 20 5 GFBDRN CC(C)CC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599410374 565677079 /nfs/dbraw/zinc/67/70/79/565677079.db2.gz IXPUCEJAJLMIJL-SNVBAGLBSA-N 0 0 384.376 2.689 20 5 GFBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)no1 ZINC000600030581 565710683 /nfs/dbraw/zinc/71/06/83/565710683.db2.gz RGEZGYCUWLEYKI-SSDOTTSWSA-N 0 0 376.316 2.966 20 5 GFBDRN C[C@@]1(C(F)F)CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000600117917 565715330 /nfs/dbraw/zinc/71/53/30/565715330.db2.gz XTCJUKJYMJIPOO-ZDUSSCGKSA-N 0 0 379.157 2.854 20 5 GFBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600595541 565738290 /nfs/dbraw/zinc/73/82/90/565738290.db2.gz QIBKHPPPOXRJDO-YPMHNXCESA-N 0 0 393.241 2.958 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3cc(F)cc(Br)c3C2)c1[N+](=O)[O-] ZINC000600790721 565751001 /nfs/dbraw/zinc/75/10/01/565751001.db2.gz AHRNZQVSXDDHCK-UHFFFAOYSA-N 0 0 397.204 2.980 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000600813171 565752147 /nfs/dbraw/zinc/75/21/47/565752147.db2.gz KNLAWQZMQGRWPC-AWEZNQCLSA-N 0 0 396.241 2.549 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000601079824 565766467 /nfs/dbraw/zinc/76/64/67/565766467.db2.gz IUCUTFQIGTWLSX-UHFFFAOYSA-N 0 0 379.210 2.948 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc(C[S@@](C)=O)cc1 ZINC000601163245 565769799 /nfs/dbraw/zinc/76/97/99/565769799.db2.gz GCUONTATNURAGH-RUZDIDTESA-N 0 0 376.360 2.838 20 5 GFBDRN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](CC(F)(F)F)O1 ZINC000601199669 565770768 /nfs/dbraw/zinc/77/07/68/565770768.db2.gz YGOVWJYWUODTDT-BQBZGAKWSA-N 0 0 376.257 2.893 20 5 GFBDRN COc1ccc(CN(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c(OC)c1 ZINC000601285671 565775164 /nfs/dbraw/zinc/77/51/64/565775164.db2.gz RXTOIYKGYHHSTE-UHFFFAOYSA-N 0 0 386.451 2.803 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601458036 565784900 /nfs/dbraw/zinc/78/49/00/565784900.db2.gz AQLYPPINGRFJNT-LBPRGKRZSA-N 0 0 384.483 2.513 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC[C@@H]1C(F)F ZINC000601604505 565794276 /nfs/dbraw/zinc/79/42/76/565794276.db2.gz MUPOTBBSHHVHER-SECBINFHSA-N 0 0 382.104 2.679 20 5 GFBDRN O=[N+]([O-])c1nccn1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000601965287 565810695 /nfs/dbraw/zinc/81/06/95/565810695.db2.gz SSXLWLJMOVZAJS-SECBINFHSA-N 0 0 376.594 2.647 20 5 GFBDRN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)NCc1ccco1 ZINC000602591507 565856467 /nfs/dbraw/zinc/85/64/67/565856467.db2.gz BCDMNEKMWPRUAP-QMMMGPOBSA-N 0 0 388.243 2.806 20 5 GFBDRN Cn1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602616925 565858347 /nfs/dbraw/zinc/85/83/47/565858347.db2.gz RRQQMTHSKMRYJN-AWEZNQCLSA-N 0 0 399.220 2.803 20 5 GFBDRN Cn1cc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c([N+](=O)[O-])n1 ZINC000602616926 565858661 /nfs/dbraw/zinc/85/86/61/565858661.db2.gz RRQQMTHSKMRYJN-CQSZACIVSA-N 0 0 399.220 2.803 20 5 GFBDRN CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602686043 565863444 /nfs/dbraw/zinc/86/34/44/565863444.db2.gz NNXVTMZMIZLGHM-SECBINFHSA-N 0 0 391.291 2.654 20 5 GFBDRN COc1ccc(Br)cc1C1(NCc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602851479 565870437 /nfs/dbraw/zinc/87/04/37/565870437.db2.gz KITDSGKPJVZTOV-UHFFFAOYSA-N 0 0 381.230 2.878 20 5 GFBDRN O=C(NCc1cc2n(n1)CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000603141350 565885372 /nfs/dbraw/zinc/88/53/72/565885372.db2.gz GFDXLFKOIVMGIP-UHFFFAOYSA-N 0 0 379.214 2.820 20 5 GFBDRN C[C@H]1CSCCN(c2ncc([N+](=O)[O-])c(N3CCSC[C@H](C)C3)n2)C1 ZINC000603356794 565900396 /nfs/dbraw/zinc/90/03/96/565900396.db2.gz CLTKIUXKLLNBEA-CHWSQXEVSA-N 0 0 383.543 2.763 20 5 GFBDRN Cc1ncc2c(n1)CCN(c1ccc(I)cc1[N+](=O)[O-])C2 ZINC000603856752 565916605 /nfs/dbraw/zinc/91/66/05/565916605.db2.gz VQPVRGVACSTNGP-UHFFFAOYSA-N 0 0 396.188 2.861 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnn(-c2cc[nH+]cc2)c1 ZINC000608908938 566026564 /nfs/dbraw/zinc/02/65/64/566026564.db2.gz CRCVGQWLHUGNOF-UHFFFAOYSA-N 0 0 379.785 2.630 20 5 GFBDRN COc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(Br)c1 ZINC000608900492 566026746 /nfs/dbraw/zinc/02/67/46/566026746.db2.gz LWQIJQCFEIRWRF-UHFFFAOYSA-N 0 0 383.202 2.936 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccccc1Cl ZINC000609391468 566038856 /nfs/dbraw/zinc/03/88/56/566038856.db2.gz PFBMWANMACEGIN-UHFFFAOYSA-N 0 0 382.203 2.948 20 5 GFBDRN CS(=O)(=O)Nc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000609504279 566041744 /nfs/dbraw/zinc/04/17/44/566041744.db2.gz YQCJEJPOTJBTFC-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000609495127 566041990 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833907931 605898929 /nfs/dbraw/zinc/89/89/29/605898929.db2.gz XMKNJGYOWKRILJ-UHFFFAOYSA-N 0 0 390.440 2.698 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000821122941 606280122 /nfs/dbraw/zinc/28/01/22/606280122.db2.gz CRBHGJVPGKRYDL-UHFFFAOYSA-N 0 0 396.411 2.891 20 5 GFBDRN C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820496627 606359474 /nfs/dbraw/zinc/35/94/74/606359474.db2.gz NIWUDDIKQFVGEM-GFCCVEGCSA-N 0 0 383.364 2.848 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2c(F)cccc2OC(F)F)c(-c2nn[nH]n2)c1 ZINC000823651172 606420782 /nfs/dbraw/zinc/42/07/82/606420782.db2.gz HSEYSHHVTFAMDJ-UHFFFAOYSA-N 0 0 381.274 2.523 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822228845 606442488 /nfs/dbraw/zinc/44/24/88/606442488.db2.gz GXOMKZMWHNKUJC-LLVKDONJSA-N 0 0 399.386 2.783 20 5 GFBDRN CC(C)(NC(=O)C=Cc1ccccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 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NHDPYGPBDLEMFX-CJNGLKHVSA-N 0 0 381.396 2.750 20 5 GFBDRN CO[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677950 606713292 /nfs/dbraw/zinc/71/32/92/606713292.db2.gz HJIYTSHEFJNFHT-LBPRGKRZSA-N 0 0 375.776 2.623 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(OCC2CCCCC2)CC1 ZINC000823620770 606714050 /nfs/dbraw/zinc/71/40/50/606714050.db2.gz PUJZQWJWSTWIHC-UHFFFAOYSA-N 0 0 387.444 2.736 20 5 GFBDRN COCCC1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCC1 ZINC000821686803 606720975 /nfs/dbraw/zinc/72/09/75/606720975.db2.gz AHQFDBBBSLDAPP-UHFFFAOYSA-N 0 0 383.412 2.942 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822271084 606785541 /nfs/dbraw/zinc/78/55/41/606785541.db2.gz LQULFSBHCSSUAV-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000821936476 606789827 /nfs/dbraw/zinc/78/98/27/606789827.db2.gz AWYFSXRHOLANLP-UHFFFAOYSA-N 0 0 395.784 2.624 20 5 GFBDRN Cc1cc(F)cc(C(=O)OCc2ccc(F)c(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000822203366 607003621 /nfs/dbraw/zinc/00/36/21/607003621.db2.gz QCEBKIPFQXGLJJ-UHFFFAOYSA-N 0 0 375.291 2.719 20 5 GFBDRN Cc1ccc(C)c(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000822232179 607038741 /nfs/dbraw/zinc/03/87/41/607038741.db2.gz VZFRMTIWZYDVLG-UHFFFAOYSA-N 0 0 379.424 2.718 20 5 GFBDRN CC(C)n1cc(C(C)(C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000817153222 660184212 /nfs/dbraw/zinc/18/42/12/660184212.db2.gz DEVQFWRNCUVTTO-UHFFFAOYSA-N 0 0 387.849 2.634 20 5 GFBDRN O=[N+]([O-])c1cc(NCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)ccc1F ZINC000823634152 607165366 /nfs/dbraw/zinc/16/53/66/607165366.db2.gz BBMCSGARGKWUPB-UHFFFAOYSA-N 0 0 382.315 2.576 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCc1ccc(Br)s1 ZINC000823625544 607166535 /nfs/dbraw/zinc/16/65/35/607166535.db2.gz YCZLXRRAACPKST-UHFFFAOYSA-N 0 0 396.230 2.649 20 5 GFBDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000820001411 607238020 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CCn1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1Br ZINC000822848981 660356010 /nfs/dbraw/zinc/35/60/10/660356010.db2.gz RZOMRPJEQGPSTO-UHFFFAOYSA-N 0 0 381.230 2.888 20 5 GFBDRN Nc1c(Br)cc(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000823417238 660371796 /nfs/dbraw/zinc/37/17/96/660371796.db2.gz JXZJZDYVMCMUOG-GXFFZTMASA-N 0 0 398.257 2.971 20 5 GFBDRN O=C(/C=C/[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000823708410 660378341 /nfs/dbraw/zinc/37/83/41/660378341.db2.gz YCBDNKQBEOSEJD-DFVUYQKZSA-N 0 0 388.161 2.873 20 5 GFBDRN CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000827526405 660500968 /nfs/dbraw/zinc/50/09/68/660500968.db2.gz PBDCLKHLFOSQFM-DFBGVHRSSA-N 0 0 385.486 2.909 20 5 GFBDRN CCOP(=O)(CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)OCC ZINC000827738164 660511067 /nfs/dbraw/zinc/51/10/67/660511067.db2.gz IIYCTOINEAWIQK-UHFFFAOYSA-N 0 0 380.359 2.747 20 5 GFBDRN C[C@@H]1CC2(CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CCOCC2 ZINC000828235874 660540812 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2.817 20 5 GFBDRN CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000832179697 660760806 /nfs/dbraw/zinc/76/08/06/660760806.db2.gz CPYOLTBGWZVHKB-FZMZJTMJSA-N 0 0 376.862 2.978 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCC2CC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000832197422 660762587 /nfs/dbraw/zinc/76/25/87/660762587.db2.gz NRXFPOPXVBMSTQ-UHFFFAOYSA-N 0 0 385.214 2.549 20 5 GFBDRN O=C(NC[C@H]1CCC2(CCOCC2)O1)c1c(Br)cccc1[N+](=O)[O-] ZINC000832427292 660779194 /nfs/dbraw/zinc/77/91/94/660779194.db2.gz AMFPZHDUBYKDDT-LLVKDONJSA-N 0 0 399.241 2.815 20 5 GFBDRN CO[C@@H]([C@@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524442 660784122 /nfs/dbraw/zinc/78/41/22/660784122.db2.gz OJBRJOKPMLHKKX-KRTXAFLBSA-N 0 0 383.253 2.993 20 5 GFBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000833834098 660809923 /nfs/dbraw/zinc/80/99/23/660809923.db2.gz QTJRPOYTPTUQJK-TVQRCGJNSA-N 0 0 378.260 2.527 20 5 GFBDRN C[C@H](CC(C)(C)O)OC(=O)c1cc(I)cc([N+](=O)[O-])c1 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GFBDRN O=C(NCc1cc(F)c(F)cc1Br)Nc1ccncc1[N+](=O)[O-] ZINC000479132101 564427171 /nfs/dbraw/zinc/42/71/71/564427171.db2.gz OSSMNOQOYNGGND-UHFFFAOYSA-N 0 0 387.140 2.774 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2noc(-c3nc4ncc(Br)cn4n3)n2)cc1 ZINC000545553492 564428049 /nfs/dbraw/zinc/42/80/49/564428049.db2.gz LCXZRSFQBWLROA-UHFFFAOYSA-N 0 0 388.141 2.512 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](O)COc1ccccc1Br ZINC000568909126 564440950 /nfs/dbraw/zinc/44/09/50/564440950.db2.gz RONPFRDWGJTQCQ-LLVKDONJSA-N 0 0 399.245 2.734 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000453009408 564441931 /nfs/dbraw/zinc/44/19/31/564441931.db2.gz MOAARNOLOPDFNV-HZMBPMFUSA-N 0 0 381.226 2.992 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000546174480 564447881 /nfs/dbraw/zinc/44/78/81/564447881.db2.gz WKSQSFDBPJRMMP-DOMZBBRYSA-N 0 0 390.889 2.974 20 5 GFBDRN COCCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000479787512 564450694 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Cc1c(CNS(=O)(=O)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000480891892 564493971 /nfs/dbraw/zinc/49/39/71/564493971.db2.gz XOVBIZNHXHHDCP-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN CC[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000547763574 564509544 /nfs/dbraw/zinc/50/95/44/564509544.db2.gz CQESWWXINZCIRW-SSDOTTSWSA-N 0 0 375.332 2.759 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000481503194 564515373 /nfs/dbraw/zinc/51/53/73/564515373.db2.gz SPDGQONKQQZNIE-UHFFFAOYSA-N 0 0 393.241 2.643 20 5 GFBDRN Cc1c(Br)cc(C(=O)N=c2cc3n([nH]2)CCCC3)cc1[N+](=O)[O-] ZINC000571033046 564532435 /nfs/dbraw/zinc/53/24/35/564532435.db2.gz FIFRNVRIQHGZAH-UHFFFAOYSA-N 0 0 379.214 2.873 20 5 GFBDRN Cc1cc(OCC(=O)Nc2ccnc(C)c2Br)ccc1[N+](=O)[O-] ZINC000517660550 564539573 /nfs/dbraw/zinc/53/95/73/564539573.db2.gz CHUXGDNEXSEMAM-UHFFFAOYSA-N 0 0 380.198 2.809 20 5 GFBDRN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000518408276 564553227 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CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)n1 ZINC000501670093 564984130 /nfs/dbraw/zinc/98/41/30/564984130.db2.gz WTNTZDPDVXTFIY-SNVBAGLBSA-N 0 0 399.176 2.576 20 5 GFBDRN COCCOCCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502098866 564991970 /nfs/dbraw/zinc/99/19/70/564991970.db2.gz PCKQJJMIDKIZCF-UHFFFAOYSA-N 0 0 384.230 2.792 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000561381128 564993040 /nfs/dbraw/zinc/99/30/40/564993040.db2.gz GPSZZVPFCNGRCV-UHFFFAOYSA-N 0 0 393.193 2.645 20 5 GFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Br)cc1 ZINC000535065821 565003933 /nfs/dbraw/zinc/00/39/33/565003933.db2.gz JAQJRDMEOBVIHB-OAHLLOKOSA-N 0 0 394.225 2.890 20 5 GFBDRN O=c1[nH]c(Cn2cc(Br)c([N+](=O)[O-])n2)nc2c3ccccc3oc21 ZINC000502842959 565006933 /nfs/dbraw/zinc/00/69/33/565006933.db2.gz OKGJGVOUEXEFIU-UHFFFAOYSA-N 0 0 390.153 2.997 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000535235026 565007850 /nfs/dbraw/zinc/00/78/50/565007850.db2.gz WFRVPIJIGOYLHU-UHFFFAOYSA-N 0 0 379.225 2.943 20 5 GFBDRN CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000503244996 565015912 /nfs/dbraw/zinc/01/59/12/565015912.db2.gz ULWLSFBZGVPXAD-JTQLQIEISA-N 0 0 378.472 2.787 20 5 GFBDRN CN(C)Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000469487803 565018495 /nfs/dbraw/zinc/01/84/95/565018495.db2.gz LLAUCZJBYUTIPU-UHFFFAOYSA-N 0 0 395.213 2.772 20 5 GFBDRN CS(=O)(=O)c1cccc(N2CCC[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000535730997 565019285 /nfs/dbraw/zinc/01/92/85/565019285.db2.gz MODPXMSMPBCSAM-JTQLQIEISA-N 0 0 382.360 2.546 20 5 GFBDRN COCCN(Cc1cccs1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503495488 565021113 /nfs/dbraw/zinc/02/11/13/565021113.db2.gz ZCHAZLUWFOHJSO-UHFFFAOYSA-N 0 0 384.479 2.677 20 5 GFBDRN NC(=O)CSc1nnc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)s1 ZINC000536529918 565040236 /nfs/dbraw/zinc/04/02/36/565040236.db2.gz OUZUXIBLNDBGTR-UHFFFAOYSA-N 0 0 394.406 2.776 20 5 GFBDRN CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000537017956 565051398 /nfs/dbraw/zinc/05/13/98/565051398.db2.gz ZWPMLTCWUHLROD-BXKDBHETSA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(CCn1cc(Br)ccc1=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470709057 565053410 /nfs/dbraw/zinc/05/34/10/565053410.db2.gz FXOUWSDAEXCTBT-UHFFFAOYSA-N 0 0 384.161 2.687 20 5 GFBDRN CN(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000537436118 565058505 /nfs/dbraw/zinc/05/85/05/565058505.db2.gz ZUINBUVQXMMRGZ-UHFFFAOYSA-N 0 0 378.303 2.972 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)c2ccc(F)cc2F)c(Cl)c1 ZINC000537740311 565062092 /nfs/dbraw/zinc/06/20/92/565062092.db2.gz VJOIAPIKBSSBAU-UHFFFAOYSA-N 0 0 392.767 2.714 20 5 GFBDRN Cc1nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cn2n1 ZINC000537716931 565062227 /nfs/dbraw/zinc/06/22/27/565062227.db2.gz WTWNSAWEJJKTDT-UHFFFAOYSA-N 0 0 390.197 2.890 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c1 ZINC000586772012 565116228 /nfs/dbraw/zinc/11/62/28/565116228.db2.gz HOOHCXXQESXVGQ-RNCFNFMXSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000614573498 565120521 /nfs/dbraw/zinc/12/05/21/565120521.db2.gz UWDAFXHBOURCNR-RNCFNFMXSA-N 0 0 375.244 2.920 20 5 GFBDRN Cc1cc(N2C[C@H](N3CCOCC3)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000588070171 565125201 /nfs/dbraw/zinc/12/52/01/565125201.db2.gz IQBOYJVAHPPOQF-CHWSQXEVSA-N 0 0 384.274 2.965 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000588144603 565128505 /nfs/dbraw/zinc/12/85/05/565128505.db2.gz OXPBRKQOHZXTRO-ZDUSSCGKSA-N 0 0 384.841 2.611 20 5 GFBDRN CC(C)(CC(F)(F)F)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000614897280 565137792 /nfs/dbraw/zinc/13/77/92/565137792.db2.gz CQYSAOQMMHTPNX-UHFFFAOYSA-N 0 0 379.360 2.633 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCOc3ncccc3C2)cc1[N+](=O)[O-] ZINC000615291906 565156351 /nfs/dbraw/zinc/15/63/51/565156351.db2.gz PIRMKJMZHVLMEY-UHFFFAOYSA-N 0 0 383.813 2.535 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ncc(CCO)s1 ZINC000590549831 565191514 /nfs/dbraw/zinc/19/15/14/565191514.db2.gz NNWBZPOWSVHDBI-UHFFFAOYSA-N 0 0 386.227 2.530 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000590914566 565209547 /nfs/dbraw/zinc/20/95/47/565209547.db2.gz SZFUMYNTMGUQIZ-UONOGXRCSA-N 0 0 381.226 2.998 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3sc(Br)cc3C2)n1 ZINC000617382088 565235774 /nfs/dbraw/zinc/23/57/74/565235774.db2.gz MQWNKPNAQZNEPS-UHFFFAOYSA-N 0 0 385.243 2.834 20 5 GFBDRN O=C(N1CCCC1)N1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591840681 565241400 /nfs/dbraw/zinc/24/14/00/565241400.db2.gz GVAVGOMEAZZSNH-UHFFFAOYSA-N 0 0 397.273 2.691 20 5 GFBDRN CC(C)O[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000592059345 565251557 /nfs/dbraw/zinc/25/15/57/565251557.db2.gz JMIOIXCKCYQFAN-LLVKDONJSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(CN1CCOC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592156495 565261051 /nfs/dbraw/zinc/26/10/51/565261051.db2.gz VRNHUCBCPFENBU-HNNXBMFYSA-N 0 0 398.257 2.797 20 5 GFBDRN C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC(F)F ZINC000592297686 565266981 /nfs/dbraw/zinc/26/69/81/565266981.db2.gz YAQQJAIDQIGTBA-SSDOTTSWSA-N 0 0 394.172 2.703 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCSC3)C2)cc1SC ZINC000592671014 565287191 /nfs/dbraw/zinc/28/71/91/565287191.db2.gz KORNZNQQYGAADW-MRXNPFEDSA-N 0 0 384.479 2.673 20 5 GFBDRN CC(C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000592875523 565303154 /nfs/dbraw/zinc/30/31/54/565303154.db2.gz RCUJJCCFOGOWNW-MRXNPFEDSA-N 0 0 388.873 2.634 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000593054642 565309976 /nfs/dbraw/zinc/30/99/76/565309976.db2.gz YDKYLNSUUTUMHE-UHFFFAOYSA-N 0 0 392.257 2.917 20 5 GFBDRN C[C@@H]1[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593188875 565318888 /nfs/dbraw/zinc/31/88/88/565318888.db2.gz DQSDBZBNYNGTQN-DJLDLDEBSA-N 0 0 376.276 2.972 20 5 GFBDRN COc1c(C(=O)N[C@H](CO)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000619441596 565341052 /nfs/dbraw/zinc/34/10/52/565341052.db2.gz VZYZTJBGDKSGRO-CYBMUJFWSA-N 0 0 395.209 2.829 20 5 GFBDRN COCCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619474677 565343224 /nfs/dbraw/zinc/34/32/24/565343224.db2.gz QSYOXRZYRVNYIK-UHFFFAOYSA-N 0 0 386.451 2.502 20 5 GFBDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593666894 565355076 /nfs/dbraw/zinc/35/50/76/565355076.db2.gz DUYFMMGLVJUJBB-NSHDSACASA-N 0 0 392.861 2.989 20 5 GFBDRN O=C(NCc1cc2cccnc2cc1Br)c1c[nH]nc1[N+](=O)[O-] ZINC000619789271 565360084 /nfs/dbraw/zinc/36/00/84/565360084.db2.gz HLSNYZMNAIQGGG-UHFFFAOYSA-N 0 0 376.170 2.559 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594485574 565394317 /nfs/dbraw/zinc/39/43/17/565394317.db2.gz ABACQBLBGWFDII-MFKMUULPSA-N 0 0 382.360 2.682 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000594869487 565432843 /nfs/dbraw/zinc/43/28/43/565432843.db2.gz CITRJABSHNXMKM-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000595397890 565473649 /nfs/dbraw/zinc/47/36/49/565473649.db2.gz YJJMDGLOTDTQHQ-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN CN(CC1=CCSC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595397118 565473978 /nfs/dbraw/zinc/47/39/78/565473978.db2.gz IYZGJVBTHNFHHX-UHFFFAOYSA-N 0 0 382.385 2.907 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1C ZINC000595416540 565475502 /nfs/dbraw/zinc/47/55/02/565475502.db2.gz QSJFLQHXKJCWPZ-ZUZCIYMTSA-N 0 0 378.397 2.645 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000595417302 565476822 /nfs/dbraw/zinc/47/68/22/565476822.db2.gz WLRYAHKQSQUKPO-IAQYHMDHSA-N 0 0 378.397 2.645 20 5 GFBDRN CS(=O)(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000595638181 565486457 /nfs/dbraw/zinc/48/64/57/565486457.db2.gz 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ZINC000596887582 565540298 /nfs/dbraw/zinc/54/02/98/565540298.db2.gz DZBANMUUJZVTEI-NSHDSACASA-N 0 0 388.218 2.545 20 5 GFBDRN Cc1c(Br)cncc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000597148233 565552977 /nfs/dbraw/zinc/55/29/77/565552977.db2.gz AQHNLIOWYBTBRC-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN Cc1[nH][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000597731171 565573296 /nfs/dbraw/zinc/57/32/96/565573296.db2.gz GCPKKEPCWVHKLB-UHFFFAOYSA-N 0 0 385.193 2.866 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000598232104 565603871 /nfs/dbraw/zinc/60/38/71/565603871.db2.gz VTHVXNUPIBFSBP-HNNXBMFYSA-N 0 0 394.225 2.910 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000598277320 565606645 /nfs/dbraw/zinc/60/66/45/565606645.db2.gz VIZPNRUBUZCDFB-NSHDSACASA-N 0 0 385.214 2.676 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC(Cc2ccsc2)C1 ZINC000598667049 565632742 /nfs/dbraw/zinc/63/27/42/565632742.db2.gz PPDNULUFZRNLLL-UHFFFAOYSA-N 0 0 379.825 2.949 20 5 GFBDRN C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC000598891325 565648340 /nfs/dbraw/zinc/64/83/40/565648340.db2.gz MOMJUQYEJKPVMG-MRVPVSSYSA-N 0 0 381.186 2.519 20 5 GFBDRN Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Br)cc1[N+](=O)[O-] ZINC000599166985 565659016 /nfs/dbraw/zinc/65/90/16/565659016.db2.gz KQYXIAQJUYOWCY-MNOVXSKESA-N 0 0 389.271 2.822 20 5 GFBDRN CC(C)Sc1ccc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229542 565662067 /nfs/dbraw/zinc/66/20/67/565662067.db2.gz FHCIYHDUQTYTTO-NSHDSACASA-N 0 0 384.483 2.868 20 5 GFBDRN CO[C@@H](C)c1noc(CN(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000599628980 565694055 /nfs/dbraw/zinc/69/40/55/565694055.db2.gz WHMPSJPHPBOHGU-QMMMGPOBSA-N 0 0 399.201 2.720 20 5 GFBDRN COC(=O)[C@@](C)(NCc1cncc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000599643245 565695195 /nfs/dbraw/zinc/69/51/95/565695195.db2.gz LQCNMJUCLWUJRQ-INIZCTEOSA-N 0 0 394.225 2.930 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000600000541 565709862 /nfs/dbraw/zinc/70/98/62/565709862.db2.gz FBPZROJVGDDVQW-RDDDGLTNSA-N 0 0 397.147 2.743 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000600104563 565713851 /nfs/dbraw/zinc/71/38/51/565713851.db2.gz WQLUYIOONHEEFQ-JTQLQIEISA-N 0 0 385.214 2.676 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600510137 565733890 /nfs/dbraw/zinc/73/38/90/565733890.db2.gz FBLPSNQMSQHFKK-MEDUHNTESA-N 0 0 383.242 2.900 20 5 GFBDRN CSc1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000600749963 565747809 /nfs/dbraw/zinc/74/78/09/565747809.db2.gz ZYHAMQJOZLXWSY-NSHDSACASA-N 0 0 387.259 2.749 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(c3cccc(F)c3)CC2)s1 ZINC000601260821 565772867 /nfs/dbraw/zinc/77/28/67/565772867.db2.gz GYCOWQCVMXLONG-UHFFFAOYSA-N 0 0 385.442 2.526 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC(OCCOC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601435473 565783611 /nfs/dbraw/zinc/78/36/11/565783611.db2.gz YKUOQRDAODSDFK-UHFFFAOYSA-N 0 0 392.499 2.559 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601470132 565786546 /nfs/dbraw/zinc/78/65/46/565786546.db2.gz ZNCBQAFLGVMOPV-IONNQARKSA-N 0 0 388.389 2.695 20 5 GFBDRN Cn1cc(Br)c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601611947 565794791 /nfs/dbraw/zinc/79/47/91/565794791.db2.gz NJIRKPGAGRAOBE-UHFFFAOYSA-N 0 0 393.241 2.829 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1ccc(Br)cc1F ZINC000601702261 565798866 /nfs/dbraw/zinc/79/88/66/565798866.db2.gz RWFQWCARIJQACB-UHFFFAOYSA-N 0 0 385.193 2.660 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)n1 ZINC000601706799 565799218 /nfs/dbraw/zinc/79/92/18/565799218.db2.gz ZQDCZAYUDQSLFF-ZLKJLUDKSA-N 0 0 391.225 2.642 20 5 GFBDRN C[C@@H](C(=O)NCc1c(Br)cnn1C)c1ccc([N+](=O)[O-])cc1F ZINC000601746566 565801906 /nfs/dbraw/zinc/80/19/06/565801906.db2.gz RRYMSCOHFRODJE-MRVPVSSYSA-N 0 0 385.193 2.650 20 5 GFBDRN CCC(=O)N1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602447361 565848419 /nfs/dbraw/zinc/84/84/19/565848419.db2.gz CUYFQVMPNRWIGY-UHFFFAOYSA-N 0 0 376.276 2.863 20 5 GFBDRN COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602488339 565850868 /nfs/dbraw/zinc/85/08/68/565850868.db2.gz UOKNFOLQCIGQQP-LLVKDONJSA-N 0 0 395.275 2.817 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602668997 565862568 /nfs/dbraw/zinc/86/25/68/565862568.db2.gz HFYUWBVRPQWJJB-SECBINFHSA-N 0 0 397.316 2.675 20 5 GFBDRN Cn1cc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602820136 565869596 /nfs/dbraw/zinc/86/95/96/565869596.db2.gz GTOWMCDEBGOSTK-LBPRGKRZSA-N 0 0 378.738 2.824 20 5 GFBDRN CCO[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000609134347 566030834 /nfs/dbraw/zinc/03/08/34/566030834.db2.gz BGOAWLZVKRFPTK-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN CCN(CCC(F)(F)F)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609392328 566039191 /nfs/dbraw/zinc/03/91/91/566039191.db2.gz YHZAUHQYBCFQHP-UHFFFAOYSA-N 0 0 381.738 2.779 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000609673979 566049505 /nfs/dbraw/zinc/04/95/05/566049505.db2.gz SULDXJJJJMBGNA-ZIAGYGMSSA-N 0 0 386.495 2.578 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000609767812 566052467 /nfs/dbraw/zinc/05/24/67/566052467.db2.gz QXPVADWXXAZUSO-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000610261966 566072613 /nfs/dbraw/zinc/07/26/13/566072613.db2.gz FCLMCEJEYVKHCB-UHFFFAOYSA-N 0 0 384.826 2.731 20 5 GFBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C(=O)N1c1cnn(C)c1 ZINC000610283525 566075458 /nfs/dbraw/zinc/07/54/58/566075458.db2.gz SKSJZEZSWDNMMQ-LKFCYVNXSA-N 0 0 394.229 2.697 20 5 GFBDRN COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])s3)c2c1 ZINC000610512918 566085187 /nfs/dbraw/zinc/08/51/87/566085187.db2.gz OXILETBDWQEZRH-UHFFFAOYSA-N 0 0 381.435 2.667 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CC[C@@H](C)Sc3ccccc32)c([N+](=O)[O-])n1 ZINC000611104943 566115304 /nfs/dbraw/zinc/11/53/04/566115304.db2.gz ZSPBFQCZUBJXTL-LLVKDONJSA-N 0 0 382.467 2.891 20 5 GFBDRN CC(C)c1nc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000611222572 566122220 /nfs/dbraw/zinc/12/22/20/566122220.db2.gz FEQSEUKRQBLWMO-OAHLLOKOSA-N 0 0 382.467 2.878 20 5 GFBDRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000611221811 566122365 /nfs/dbraw/zinc/12/23/65/566122365.db2.gz ALKQNPSSOCJLDV-ZJUUUORDSA-N 0 0 389.193 2.526 20 5 GFBDRN Cc1cn2c(n1)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000611790718 566143247 /nfs/dbraw/zinc/14/32/47/566143247.db2.gz KXVMATRQTDUOAC-UHFFFAOYSA-N 0 0 391.236 2.611 20 5 GFBDRN CC1(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCC(F)(F)CC1 ZINC000612064693 566149986 /nfs/dbraw/zinc/14/99/86/566149986.db2.gz PLLIVXYNCIHQAZ-UHFFFAOYSA-N 0 0 376.381 2.696 20 5 GFBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736095170 598830254 /nfs/dbraw/zinc/83/02/54/598830254.db2.gz CGHSMQFNTRYWGX-GFCCVEGCSA-N 0 0 380.408 2.930 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[nH]n2)c1 ZINC000738369824 598972339 /nfs/dbraw/zinc/97/23/39/598972339.db2.gz PMLBGLMWVKZESS-PRHODGIISA-N 0 0 375.751 2.930 20 5 GFBDRN CN(C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757412 599058133 /nfs/dbraw/zinc/05/81/33/599058133.db2.gz AFQZLLBTZWTOKW-OAHLLOKOSA-N 0 0 389.366 2.768 20 5 GFBDRN CCO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cs1 ZINC000821347167 599071795 /nfs/dbraw/zinc/07/17/95/599071795.db2.gz SGMPWXSBMQFTLO-SNVBAGLBSA-N 0 0 389.441 2.965 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCc2nc(C(F)(F)F)cs2)c(-c2nn[nH]n2)c1 ZINC000823639643 599106364 /nfs/dbraw/zinc/10/63/64/599106364.db2.gz FDGQBVDOJDYGRX-UHFFFAOYSA-N 0 0 385.331 2.905 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000823629790 599109725 /nfs/dbraw/zinc/10/97/25/599109725.db2.gz HDEJFSZOYKMKQZ-YJBOKZPZSA-N 0 0 380.408 2.867 20 5 GFBDRN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823241825 599175328 /nfs/dbraw/zinc/17/53/28/599175328.db2.gz HACANVKBNFOWLL-UHFFFAOYSA-N 0 0 382.311 2.590 20 5 GFBDRN Cc1ccccc1-c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)o1 ZINC000822345146 599186728 /nfs/dbraw/zinc/18/67/28/599186728.db2.gz GEUZUEIIDYGTLV-UHFFFAOYSA-N 0 0 382.365 2.680 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000737063281 598368002 /nfs/dbraw/zinc/36/80/02/598368002.db2.gz UJEULTYLGHLXLA-UHFFFAOYSA-N 0 0 379.336 2.517 20 5 GFBDRN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000735874124 598417973 /nfs/dbraw/zinc/41/79/73/598417973.db2.gz MTAGYBWIPKKROA-UHFFFAOYSA-N 0 0 384.371 2.965 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1 ZINC000738370395 598468047 /nfs/dbraw/zinc/46/80/47/598468047.db2.gz PPORFBFMIKKTFC-AWEZNQCLSA-N 0 0 394.313 2.939 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)c(-c2nn[nH]n2)c1 ZINC000738370193 598498756 /nfs/dbraw/zinc/49/87/56/598498756.db2.gz RKFZNNWYKDOZEO-NSHDSACASA-N 0 0 392.379 2.695 20 5 GFBDRN Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nc2cc(Cl)ccc21 ZINC000737590741 598499310 /nfs/dbraw/zinc/49/93/10/598499310.db2.gz DBMOWYYXOBZYSA-UHFFFAOYSA-N 0 0 388.800 2.861 20 5 GFBDRN O=C(COc1ccc(-c2nn[nH]n2)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737920238 598558801 /nfs/dbraw/zinc/55/88/01/598558801.db2.gz SRPRVYLJESJMQI-UHFFFAOYSA-N 0 0 392.734 2.585 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738246703 598569356 /nfs/dbraw/zinc/56/93/56/598569356.db2.gz IBAYMPRNXFSGKU-UHFFFAOYSA-N 0 0 382.355 2.719 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCCOc2cccc3cccnc32)c(-c2nn[nH]n2)c1 ZINC000738374655 598674537 /nfs/dbraw/zinc/67/45/37/598674537.db2.gz RRCICUXEBVVVFU-UHFFFAOYSA-N 0 0 392.379 2.599 20 5 GFBDRN O=C(CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000737841557 598682819 /nfs/dbraw/zinc/68/28/19/598682819.db2.gz MFGUTXJVIMGTHX-UHFFFAOYSA-N 0 0 393.407 2.556 20 5 GFBDRN CN(Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736822347 598754686 /nfs/dbraw/zinc/75/46/86/598754686.db2.gz MBUGLAQEOILAMD-UHFFFAOYSA-N 0 0 390.407 2.728 20 5 GFBDRN CCCN(C[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736470530 598814101 /nfs/dbraw/zinc/81/41/01/598814101.db2.gz KGWXHXGMJPFNEA-CQSZACIVSA-N 0 0 396.407 2.831 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738230565 599500275 /nfs/dbraw/zinc/50/02/75/599500275.db2.gz GYWZMRKKBGVPQP-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN Cc1ncc(CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822467175 607383854 /nfs/dbraw/zinc/38/38/54/607383854.db2.gz JSKFAPNLINJSHB-UHFFFAOYSA-N 0 0 382.409 2.743 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000826253813 607407082 /nfs/dbraw/zinc/40/70/82/607407082.db2.gz FXKABCGWEHPGJC-UHFFFAOYSA-N 0 0 392.375 2.781 20 5 GFBDRN O=C([O-])/C=C/c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622863 600791636 /nfs/dbraw/zinc/79/16/36/600791636.db2.gz CQJJXWMDJHNJFY-OEAKIKGJSA-N 0 0 397.431 2.742 20 5 GFBDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921358 601370260 /nfs/dbraw/zinc/37/02/60/601370260.db2.gz PLDWMGSIGZVARJ-ZIAGYGMSSA-N 0 0 385.420 2.957 20 5 GFBDRN C[C@H](C(=O)[O-])[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045023 601656507 /nfs/dbraw/zinc/65/65/07/601656507.db2.gz OQEQUTMKZIHBFY-ORAYPTAESA-N 0 0 383.404 2.536 20 5 GFBDRN COCc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826164593 607522725 /nfs/dbraw/zinc/52/27/25/607522725.db2.gz IBMRIFIYFVLLBX-UHFFFAOYSA-N 0 0 388.771 2.827 20 5 GFBDRN Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978131 602318498 /nfs/dbraw/zinc/31/84/98/602318498.db2.gz YJJKJKLDBHDAHM-HNNXBMFYSA-N 0 0 399.451 2.619 20 5 GFBDRN O=[N+]([O-])c1cc(N2CC[C@@H](COCc3ccccc3)C2)ccc1-c1nn[nH]n1 ZINC000826498014 607567792 /nfs/dbraw/zinc/56/77/92/607567792.db2.gz DANKWFXDWXIHCI-OAHLLOKOSA-N 0 0 380.408 2.818 20 5 GFBDRN Cc1c(NC(=O)CC[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000740049651 602447138 /nfs/dbraw/zinc/44/71/38/602447138.db2.gz MQQMSYMIVIWXBO-CYBMUJFWSA-N 0 0 378.429 2.600 20 5 GFBDRN Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829881047 603724941 /nfs/dbraw/zinc/72/49/41/603724941.db2.gz PHPRZESRFICFPD-LRDDRELGSA-N 0 0 378.429 2.600 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830432799 604216115 /nfs/dbraw/zinc/21/61/15/604216115.db2.gz LXRMJHNYWMAOCB-ZIAGYGMSSA-N 0 0 378.429 2.600 20 5 GFBDRN O=C([O-])c1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000833308296 604267948 /nfs/dbraw/zinc/26/79/48/604267948.db2.gz VCGVPKCOUNFWHS-LLVKDONJSA-N 0 0 383.832 2.859 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833907538 605450253 /nfs/dbraw/zinc/45/02/53/605450253.db2.gz LRGOMHJJYBXOMY-CWRNSKLLSA-N 0 0 390.440 2.600 20 5 GFBDRN O=C(OCCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823410189 606151251 /nfs/dbraw/zinc/15/12/51/606151251.db2.gz QQDSULMBIHPKKJ-UHFFFAOYSA-N 0 0 389.755 2.664 20 5 GFBDRN C[C@@]1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@@H]1O ZINC000820623063 606242380 /nfs/dbraw/zinc/24/23/80/606242380.db2.gz DGXGCEUIYNJSBT-YJBOKZPZSA-N 0 0 383.412 2.676 20 5 GFBDRN O=[N+]([O-])c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1-c1nn[nH]n1 ZINC000823635030 606646002 /nfs/dbraw/zinc/64/60/02/606646002.db2.gz PXFXSJNEIXQZSF-LBPRGKRZSA-N 0 0 383.387 2.852 20 5 GFBDRN Cc1nc([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)sc1C ZINC000822437324 606705630 /nfs/dbraw/zinc/70/56/30/606705630.db2.gz ZBDCXHUKXMXMEO-LLVKDONJSA-N 0 0 386.441 2.627 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000823629641 606877003 /nfs/dbraw/zinc/87/70/03/606877003.db2.gz CWEFGWGMIPGJFG-LLVKDONJSA-N 0 0 386.803 2.514 20 5 GFBDRN Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822242766 606978037 /nfs/dbraw/zinc/97/80/37/606978037.db2.gz XEDNHJNQSMCSTD-UHFFFAOYSA-N 0 0 382.380 2.879 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(-c2nn[nH]n2)cc1F ZINC000823634456 607129711 /nfs/dbraw/zinc/12/97/11/607129711.db2.gz GAVADSZGTJSHOV-UHFFFAOYSA-N 0 0 381.121 2.864 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2noc(COc3ccc(-c4nn[nH]n4)cc3F)n2)cc1 ZINC000823634777 607172010 /nfs/dbraw/zinc/17/20/10/607172010.db2.gz LWCMHKFFFANZSU-UHFFFAOYSA-N 0 0 383.299 2.543 20 5 GFBDRN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000824747201 607833134 /nfs/dbraw/zinc/83/31/34/607833134.db2.gz ZEWATQSWOYRAGX-GFCCVEGCSA-N 0 0 394.391 2.522 20 5 GFBDRN CC(C)c1ccccc1OC[C@@H](O)COc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000824352567 607876119 /nfs/dbraw/zinc/87/61/19/607876119.db2.gz IZLSUEXOQSUTIM-CYBMUJFWSA-N 0 0 399.407 2.717 20 5 GFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770440 608069530 /nfs/dbraw/zinc/06/95/30/608069530.db2.gz KMSOZZCDCCGXMA-ACJLOTCBSA-N 0 0 380.408 2.909 20 5 GFBDRN Cc1cc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)ccc1F ZINC000826266668 608153818 /nfs/dbraw/zinc/15/38/18/608153818.db2.gz XHUFBSSQXYAQFE-KRWDZBQOSA-N 0 0 384.371 2.800 20 5 GFBDRN O=C(CCOc1ccccc1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826408165 608161653 /nfs/dbraw/zinc/16/16/53/608161653.db2.gz SGJBOZFFNWRHHE-UHFFFAOYSA-N 0 0 388.771 2.836 20 5 GFBDRN Cn1cnc2cc(C(=O)Nc3cc(-c4nn[nH]n4)cc([N+](=O)[O-])c3Cl)ccc21 ZINC000826364846 608161718 /nfs/dbraw/zinc/16/17/18/608161718.db2.gz NWWOJRMPADXKAH-UHFFFAOYSA-N 0 0 398.770 2.567 20 5 GFBDRN COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826177314 608185231 /nfs/dbraw/zinc/18/52/31/608185231.db2.gz CLQNBEHIXNXZQN-SNVBAGLBSA-N 0 0 399.363 2.710 20 5 GFBDRN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824632790 608461517 /nfs/dbraw/zinc/46/15/17/608461517.db2.gz FCMUBGMUOOITSO-LLVKDONJSA-N 0 0 392.379 2.676 20 5 GFBDRN C[C@@H](NCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000824632476 608563975 /nfs/dbraw/zinc/56/39/75/608563975.db2.gz AEHKVBJUHWKXPB-LLVKDONJSA-N 0 0 392.379 2.676 20 5 GFBDRN Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269221 609243157 /nfs/dbraw/zinc/24/31/57/609243157.db2.gz FISIRFBLOMMXFW-QGZVFWFLSA-N 0 0 393.407 2.691 20 5 GFBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c(N2CCCC2)n1 ZINC000826288712 609313396 /nfs/dbraw/zinc/31/33/96/609313396.db2.gz SWJWQUARUDHUFS-UHFFFAOYSA-N 0 0 380.412 2.691 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826497774 609318101 /nfs/dbraw/zinc/31/81/01/609318101.db2.gz UFDVFYPFXBDSEA-UHFFFAOYSA-N 0 0 388.391 2.523 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1N1CCCCC1 ZINC000826497478 609321543 /nfs/dbraw/zinc/32/15/43/609321543.db2.gz IUGDRUUALXNWFR-UHFFFAOYSA-N 0 0 380.412 2.772 20 5 GFBDRN O=C(Nc1sccc1-c1nn[nH]n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000826460983 609372622 /nfs/dbraw/zinc/37/26/22/609372622.db2.gz AGXWRYAPORQQMA-UHFFFAOYSA-N 0 0 382.308 2.690 20 5 GFBDRN CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184057 609397033 /nfs/dbraw/zinc/39/70/33/609397033.db2.gz QPMXCNVCTINICH-MWLCHTKSSA-N 0 0 394.819 2.962 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000826254166 609510291 /nfs/dbraw/zinc/51/02/91/609510291.db2.gz YDDIKCGLLIQGPI-UHFFFAOYSA-N 0 0 385.405 2.919 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNc1ncc(Cl)c(C)c1-c1nn[nH]n1 ZINC000826212475 609538847 /nfs/dbraw/zinc/53/88/47/609538847.db2.gz RLUHIFVWHVGFQP-UHFFFAOYSA-N 0 0 375.776 2.752 20 5 GFBDRN C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CCSc2ccccc21 ZINC000514734881 650578165 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O=C(OCC[C@H]1CC1(Cl)Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820369859 660290970 /nfs/dbraw/zinc/29/09/70/660290970.db2.gz GXQIUVBIOWWJMD-UWVGGRQHSA-N 0 0 391.207 2.920 20 5 GFBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCOCC(F)(F)F ZINC000822363170 660344158 /nfs/dbraw/zinc/34/41/58/660344158.db2.gz SQYUOQMOIRTGMU-UHFFFAOYSA-N 0 0 383.710 2.515 20 5 GFBDRN Nc1c(Br)cc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000822600244 660349401 /nfs/dbraw/zinc/34/94/01/660349401.db2.gz KPSOGEYZDZLRCO-ZDUSSCGKSA-N 0 0 384.230 2.581 20 5 GFBDRN COC(=O)[C@H]1CSCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000822853665 660355973 /nfs/dbraw/zinc/35/59/73/660355973.db2.gz FNECLSSCDFBVEX-LLVKDONJSA-N 0 0 386.857 2.545 20 5 GFBDRN Cc1cnn(C)c1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000824411252 660391405 /nfs/dbraw/zinc/39/14/05/660391405.db2.gz YQADBHGXRIQMMC-UHFFFAOYSA-N 0 0 394.229 2.989 20 5 GFBDRN O=[N+]([O-])c1cc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1Br ZINC000824655396 660398822 /nfs/dbraw/zinc/39/88/22/660398822.db2.gz WGRUDJDZYUENMK-GZBFAFLISA-N 0 0 385.258 2.719 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)ccc1Br ZINC000825202106 660414881 /nfs/dbraw/zinc/41/48/81/660414881.db2.gz PHRFLVOMJFHRNX-TZMCWYRMSA-N 0 0 389.271 2.509 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCC2(CCOCC2)C1 ZINC000826095632 660449806 /nfs/dbraw/zinc/44/98/06/660449806.db2.gz OWXYSAQDMMRGPM-UHFFFAOYSA-N 0 0 384.230 2.785 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CCC(F)CC1 ZINC000826779292 660464503 /nfs/dbraw/zinc/46/45/03/660464503.db2.gz ZFPCAKODUJPACN-UHFFFAOYSA-N 0 0 375.422 2.717 20 5 GFBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CSCCS1 ZINC000826953506 660473025 /nfs/dbraw/zinc/47/30/25/660473025.db2.gz DDCNGECOEFTDSS-SECBINFHSA-N 0 0 389.886 2.785 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000827401747 660493836 /nfs/dbraw/zinc/49/38/36/660493836.db2.gz GDCOCRFTKLMWSM-YUELXQCFSA-N 0 0 388.536 2.815 20 5 GFBDRN CO[C@H](CS(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000827611851 660504963 /nfs/dbraw/zinc/50/49/63/660504963.db2.gz GDZLIBQPANPQFB-CQSZACIVSA-N 0 0 397.808 2.538 20 5 GFBDRN C[C@H](C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C ZINC000827799339 660516444 /nfs/dbraw/zinc/51/64/44/660516444.db2.gz QKCMKHVDSKCRNB-NXEZZACHSA-N 0 0 393.487 2.626 20 5 GFBDRN C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000827944313 660524188 /nfs/dbraw/zinc/52/41/88/660524188.db2.gz CPAFHLACOCBBJF-IINYFYTJSA-N 0 0 394.225 2.647 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CC12CCOCC2 ZINC000829019912 660579163 /nfs/dbraw/zinc/57/91/63/660579163.db2.gz RXBANIIJPGUVMD-GFCCVEGCSA-N 0 0 380.344 2.869 20 5 GFBDRN O=C(NC1([C@@H]2CCCCO2)CCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000830159236 660639010 /nfs/dbraw/zinc/63/90/10/660639010.db2.gz CLTSBLPKAYVJBZ-LBPRGKRZSA-N 0 0 384.230 2.974 20 5 GFBDRN CC(C)OC(=O)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830918726 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CC(C)(C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000180522258 552228656 /nfs/dbraw/zinc/22/86/56/552228656.db2.gz CSANXOYILHZEOB-UHFFFAOYSA-N 0 0 398.257 2.688 20 5 GFBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180533522 552228923 /nfs/dbraw/zinc/22/89/23/552228923.db2.gz ODFVFKLZQXRIRG-VIFPVBQESA-N 0 0 379.214 2.696 20 5 GFBDRN CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1Br)CC(F)(F)F ZINC000180531051 552229259 /nfs/dbraw/zinc/22/92/59/552229259.db2.gz FXITXPNOEUVZSA-UHFFFAOYSA-N 0 0 398.179 2.971 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000180761462 552234977 /nfs/dbraw/zinc/23/49/77/552234977.db2.gz YINKUGVHJWEWEQ-LLVKDONJSA-N 0 0 382.360 2.851 20 5 GFBDRN O=C(CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000180837788 552237078 /nfs/dbraw/zinc/23/70/78/552237078.db2.gz QPOQVBNTZXQYJC-UHFFFAOYSA-N 0 0 383.191 2.796 20 5 GFBDRN CCOC(=O)C[C@H](C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000181780227 552267665 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GFBDRN CN(C[C@@H](O)C(F)(F)F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186102058 552379426 /nfs/dbraw/zinc/37/94/26/552379426.db2.gz IVPVDRXYXUKDDB-LLVKDONJSA-N 0 0 375.328 2.714 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000186908057 552401092 /nfs/dbraw/zinc/40/10/92/552401092.db2.gz FITPUFXGSMVWFC-NSHDSACASA-N 0 0 389.430 2.937 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000187046962 552405342 /nfs/dbraw/zinc/40/53/42/552405342.db2.gz LYXAISJXMCWNDP-UHFFFAOYSA-N 0 0 395.188 2.672 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N(C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000187398860 552414801 /nfs/dbraw/zinc/41/48/01/552414801.db2.gz MLCBTVILPGEZLT-UHFFFAOYSA-N 0 0 376.312 2.846 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NCc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000187449530 552416173 /nfs/dbraw/zinc/41/61/73/552416173.db2.gz HZJVIWKJHWWOPT-UHFFFAOYSA-N 0 0 389.430 2.801 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H](C)c2nc(C)cs2)cc1[N+](=O)[O-] ZINC000187754777 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GFBDRN Cn1cc(Br)cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1=O ZINC000412184447 563649866 /nfs/dbraw/zinc/64/98/66/563649866.db2.gz VSTXUQJCKSFRBS-QWHCGFSZSA-N 0 0 392.209 2.798 20 5 GFBDRN CCC1(O)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000412327609 563653833 /nfs/dbraw/zinc/65/38/33/563653833.db2.gz MTLGURCNWSWJJM-UHFFFAOYSA-N 0 0 385.207 2.684 20 5 GFBDRN NC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)cc1Cl ZINC000436473481 563670969 /nfs/dbraw/zinc/67/09/69/563670969.db2.gz BAVWXHZHHDNSPO-UHFFFAOYSA-N 0 0 390.204 2.801 20 5 GFBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3n[nH]c(C4CC4)c3Br)n2)n1C ZINC000350916125 563678372 /nfs/dbraw/zinc/67/83/72/563678372.db2.gz BTUOSUPRHCNSAX-UHFFFAOYSA-N 0 0 394.189 2.717 20 5 GFBDRN O=C(CN1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289992686 563693647 /nfs/dbraw/zinc/69/36/47/563693647.db2.gz SLPSSMLUCSVAAY-GFCCVEGCSA-N 0 0 384.223 2.984 20 5 GFBDRN CO[C@@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290015653 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0 380.451 2.629 20 5 GFBDRN CS(=O)(=O)Nc1ccc(OCCNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539107833 564209712 /nfs/dbraw/zinc/20/97/12/564209712.db2.gz VRCKTEJTIICRDI-UHFFFAOYSA-N 0 0 386.817 2.506 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000539138579 564211391 /nfs/dbraw/zinc/21/13/91/564211391.db2.gz BMXGRARZRBISQX-XPTSAGLGSA-N 0 0 397.229 2.597 20 5 GFBDRN Cn1c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)nnc1-c1ccc(Cl)cc1 ZINC000472196558 564215615 /nfs/dbraw/zinc/21/56/15/564215615.db2.gz MYIPQCCADXMKHZ-UHFFFAOYSA-N 0 0 380.191 2.907 20 5 GFBDRN O=C(Nc1ncc(F)cc1I)c1ccc([N+](=O)[O-])o1 ZINC000539658984 564225170 /nfs/dbraw/zinc/22/51/70/564225170.db2.gz VMAFYYRCXMKTDM-UHFFFAOYSA-N 0 0 377.069 2.579 20 5 GFBDRN CNc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000539990510 564235998 /nfs/dbraw/zinc/23/59/98/564235998.db2.gz LCYBQHLLGQZRJO-CQSZACIVSA-N 0 0 394.225 2.862 20 5 GFBDRN O=C(CCS(=O)(=O)Cc1ncc(Cl)s1)Nc1ccccc1[N+](=O)[O-] ZINC000507679470 564238684 /nfs/dbraw/zinc/23/86/84/564238684.db2.gz XJXSUYDFIWFZCR-UHFFFAOYSA-N 0 0 389.842 2.648 20 5 GFBDRN COC[C@@](C)(O)CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450594212 564239490 /nfs/dbraw/zinc/23/94/90/564239490.db2.gz OOSRTYCHKAVOLV-HNNXBMFYSA-N 0 0 384.230 2.527 20 5 GFBDRN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000473126909 564239868 /nfs/dbraw/zinc/23/98/68/564239868.db2.gz IXAWNAATTYTRAE-QWRGUYRKSA-N 0 0 384.458 2.797 20 5 GFBDRN Cc1ccsc1CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000540200622 564242179 /nfs/dbraw/zinc/24/21/79/564242179.db2.gz ATUJGZXZADXXTC-UHFFFAOYSA-N 0 0 381.841 2.707 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccccc2[N+](=O)[O-])s1 ZINC000507952081 564248995 /nfs/dbraw/zinc/24/89/95/564248995.db2.gz SFGGQYAALHNKBA-UHFFFAOYSA-N 0 0 383.495 2.977 20 5 GFBDRN Cc1ccc(C[C@H](CO)CNc2ncc([N+](=O)[O-])s2)cc1Br ZINC000450838744 564250556 /nfs/dbraw/zinc/25/05/56/564250556.db2.gz BCJYBKFJVQOVIH-NSHDSACASA-N 0 0 386.271 2.807 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000450864999 564252318 /nfs/dbraw/zinc/25/23/18/564252318.db2.gz RJOFDVPADVVDEW-MFKMUULPSA-N 0 0 383.451 2.636 20 5 GFBDRN Cc1c(Br)cccc1C[C@H](CO)CNc1ccc([N+](=O)[O-])cn1 ZINC000450888772 564253060 /nfs/dbraw/zinc/25/30/60/564253060.db2.gz OHOQZIXYOKPUGZ-LBPRGKRZSA-N 0 0 380.242 2.746 20 5 GFBDRN COc1ccc(CC(=O)N(C)c2ncccc2Br)cc1[N+](=O)[O-] ZINC000541315031 564275281 /nfs/dbraw/zinc/27/52/81/564275281.db2.gz PYLISDQSRLKIDL-UHFFFAOYSA-N 0 0 380.198 2.966 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1C ZINC000474357939 564276234 /nfs/dbraw/zinc/27/62/34/564276234.db2.gz AEIRAUWLTFHUAW-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474588230 564282824 /nfs/dbraw/zinc/28/28/24/564282824.db2.gz BBPZJZFOEODONL-NSHDSACASA-N 0 0 393.193 2.927 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCCN(c3cnn(C)c3)C2)ncc1[N+](=O)[O-] ZINC000541576513 564284535 /nfs/dbraw/zinc/28/45/35/564284535.db2.gz LKFWZXFEJRHZGH-LLVKDONJSA-N 0 0 395.261 2.875 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCN(Cc2cscn2)CC1 ZINC000474785774 564289443 /nfs/dbraw/zinc/28/94/43/564289443.db2.gz MUWGPBPILXMSLX-UHFFFAOYSA-N 0 0 384.259 2.531 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cncnc1 ZINC000509299667 564292099 /nfs/dbraw/zinc/29/20/99/564292099.db2.gz CLTIKZGEPCMFIM-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1 ZINC000509424280 564298819 /nfs/dbraw/zinc/29/88/19/564298819.db2.gz PTIKCHMDYVJASN-ZDUSSCGKSA-N 0 0 395.213 2.915 20 5 GFBDRN Cc1nccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1Br ZINC000565856829 564299794 /nfs/dbraw/zinc/29/97/94/564299794.db2.gz XZMCRSVNUPWMEJ-UHFFFAOYSA-N 0 0 386.152 2.942 20 5 GFBDRN CCCCN(C(=O)CSc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000509711325 564309938 /nfs/dbraw/zinc/30/99/38/564309938.db2.gz HRGAKEQUNHHJSY-CQSZACIVSA-N 0 0 386.495 2.503 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000475524491 564310520 /nfs/dbraw/zinc/31/05/20/564310520.db2.gz ADINVLCWESRRSO-UHFFFAOYSA-N 0 0 378.435 2.595 20 5 GFBDRN CC(=O)Nc1ccncc1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000542462603 564314080 /nfs/dbraw/zinc/31/40/80/564314080.db2.gz WQVSSWZERVABLE-UHFFFAOYSA-N 0 0 393.197 2.693 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](c3ccnc(N)n3)C2)ncc1[N+](=O)[O-] ZINC000509830780 564314385 /nfs/dbraw/zinc/31/43/85/564314385.db2.gz PPHBTALOUYHFTC-SNVBAGLBSA-N 0 0 393.245 2.647 20 5 GFBDRN Cc1cc(CN2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)no1 ZINC000542508746 564315992 /nfs/dbraw/zinc/31/59/92/564315992.db2.gz PLVQCVJZOGRUTO-UHFFFAOYSA-N 0 0 396.245 2.679 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451655589 564335910 /nfs/dbraw/zinc/33/59/10/564335910.db2.gz RGLIIFVVCNNLHW-VIFPVBQESA-N 0 0 390.767 2.884 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000451655409 564336305 /nfs/dbraw/zinc/33/63/05/564336305.db2.gz QRHBVFBHMAUORV-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543289254 564346000 /nfs/dbraw/zinc/34/60/00/564346000.db2.gz VTBVSNDKMOMTHN-SNVBAGLBSA-N 0 0 394.902 2.622 20 5 GFBDRN Cc1c(Br)c(NCc2ccc(NC(N)=O)cc2)ncc1[N+](=O)[O-] ZINC000543435681 564350408 /nfs/dbraw/zinc/35/04/08/564350408.db2.gz SZLSEAOMUPAFFD-UHFFFAOYSA-N 0 0 380.202 2.585 20 5 GFBDRN Cc1c(Br)c(NCCn2c(=O)[nH]c3ccccc32)ncc1[N+](=O)[O-] ZINC000543436216 564350633 /nfs/dbraw/zinc/35/06/33/564350633.db2.gz DKKQUQAATGDBMA-UHFFFAOYSA-N 0 0 392.213 2.650 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1C(F)F ZINC000510995626 564353123 /nfs/dbraw/zinc/35/31/23/564353123.db2.gz HIUHKXLSUPDEHK-MRVPVSSYSA-N 0 0 385.186 2.776 20 5 GFBDRN COC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000451816012 564355259 /nfs/dbraw/zinc/35/52/59/564355259.db2.gz WTJZVCRIVCDWFI-ZDUSSCGKSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000543619587 564356529 /nfs/dbraw/zinc/35/65/29/564356529.db2.gz FRRXPXBNCAWOPL-SNVBAGLBSA-N 0 0 394.833 2.769 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451833308 564357001 /nfs/dbraw/zinc/35/70/01/564357001.db2.gz MLZFSCDLAYHMAD-PELKAZGASA-N 0 0 383.253 2.947 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451854803 564359311 /nfs/dbraw/zinc/35/93/11/564359311.db2.gz NRPZLZUXYVARLS-XJKSGUPXSA-N 0 0 388.873 2.632 20 5 GFBDRN O=C(CN1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897638 564363197 /nfs/dbraw/zinc/36/31/97/564363197.db2.gz IBWDYAWIXUDKCC-INIZCTEOSA-N 0 0 398.257 2.798 20 5 GFBDRN Cc1ccc(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000567295130 564364972 /nfs/dbraw/zinc/36/49/72/564364972.db2.gz URMHFQWMITVSKE-UHFFFAOYSA-N 0 0 375.815 2.518 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905021 564364910 /nfs/dbraw/zinc/36/49/10/564364910.db2.gz SPGANALDSHVASX-OCCSQVGLSA-N 0 0 383.451 2.558 20 5 GFBDRN CN(C(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)c1nc2ccccc2s1 ZINC000477548426 564380085 /nfs/dbraw/zinc/38/00/85/564380085.db2.gz JNPJMNCUFXFMBV-UHFFFAOYSA-N 0 0 378.797 2.683 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000477614450 564381935 /nfs/dbraw/zinc/38/19/35/564381935.db2.gz XTPGMFPDTQLAMG-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN Cc1c(Br)c(N[C@H]2CN(c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000544395248 564384736 /nfs/dbraw/zinc/38/47/36/564384736.db2.gz XGYIDYWMNHWGNB-NSHDSACASA-N 0 0 377.198 2.888 20 5 GFBDRN Cc1n[nH]c([C@H]2CCCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)n1 ZINC000544394018 564385158 /nfs/dbraw/zinc/38/51/58/564385158.db2.gz DHGUCRXBBONURR-JTQLQIEISA-N 0 0 381.234 2.871 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544672663 564393317 /nfs/dbraw/zinc/39/33/17/564393317.db2.gz MPFFEDGPEVAXHP-CHWSQXEVSA-N 0 0 386.426 2.994 20 5 GFBDRN Cc1nc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cs1 ZINC000512850288 564413882 /nfs/dbraw/zinc/41/38/82/564413882.db2.gz SLBMLJYHIABWLS-UHFFFAOYSA-N 0 0 376.423 2.892 20 5 GFBDRN C[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479229376 564432086 /nfs/dbraw/zinc/43/20/86/564432086.db2.gz YWSMSILQBRLUJK-SECBINFHSA-N 0 0 378.834 2.647 20 5 GFBDRN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000452903121 564436328 /nfs/dbraw/zinc/43/63/28/564436328.db2.gz ANVBTEPNUZUCQU-UKRRQHHQSA-N 0 0 383.242 2.884 20 5 GFBDRN O=C(N=c1nc(-c2cc(Cl)ccc2Cl)[nH][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000545910751 564437808 /nfs/dbraw/zinc/43/78/08/564437808.db2.gz BGSDNANQWGXZGO-UHFFFAOYSA-N 0 0 379.163 2.756 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCNc1ccccn1 ZINC000479432186 564439781 /nfs/dbraw/zinc/43/97/81/564439781.db2.gz XRCSHAXYHDRFEP-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)CC1CCCC1 ZINC000513933133 564443003 /nfs/dbraw/zinc/44/30/03/564443003.db2.gz FLZNSRYHFHHOGM-CYBMUJFWSA-N 0 0 385.258 2.957 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000569065734 564447315 /nfs/dbraw/zinc/44/73/15/564447315.db2.gz KOZXXURRDZPKLY-VXGBXAGGSA-N 0 0 379.214 2.860 20 5 GFBDRN C[C@@H](O)C1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000569173436 564452071 /nfs/dbraw/zinc/45/20/71/564452071.db2.gz SNGNQSAXBXVXBJ-SNVBAGLBSA-N 0 0 390.221 2.792 20 5 GFBDRN COc1cccc(CS(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000479980097 564457227 /nfs/dbraw/zinc/45/72/27/564457227.db2.gz MZSMOXFYKQFATN-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000546880676 564472757 /nfs/dbraw/zinc/47/27/57/564472757.db2.gz IBKDNJAQGHADMS-CYBMUJFWSA-N 0 0 381.841 2.805 20 5 GFBDRN Cc1cccnc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480603848 564479197 /nfs/dbraw/zinc/47/91/97/564479197.db2.gz CKHRJDPDROAYFX-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@@H]1CC(F)F ZINC000569935048 564485099 /nfs/dbraw/zinc/48/50/99/564485099.db2.gz WTYAZYMQVGAQPF-KOLCDFICSA-N 0 0 378.759 2.898 20 5 GFBDRN C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000480902256 564494992 /nfs/dbraw/zinc/49/49/92/564494992.db2.gz UKNHDKCNRACEHC-HNNXBMFYSA-N 0 0 376.862 2.858 20 5 GFBDRN CC(C)OC[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000547783911 564510410 /nfs/dbraw/zinc/51/04/10/564510410.db2.gz BGQPSJYMZFNLHD-ZDUSSCGKSA-N 0 0 388.873 2.993 20 5 GFBDRN Cc1c(CNC(=O)c2cncc(I)c2)cccc1[N+](=O)[O-] ZINC000481485188 564514350 /nfs/dbraw/zinc/51/43/50/564514350.db2.gz VSMXUBZBUOTXEJ-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN Nc1nccc(C(=O)NCCCc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000548090992 564529934 /nfs/dbraw/zinc/52/99/34/564529934.db2.gz VOUCSCQLWNXUMG-UHFFFAOYSA-N 0 0 397.204 2.667 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2OC)c(Cl)c1 ZINC000517775168 564542299 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CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000572693640 564605610 /nfs/dbraw/zinc/60/56/10/564605610.db2.gz BNVVOEGVDQKAFT-LLVKDONJSA-N 0 0 378.834 2.647 20 5 GFBDRN CS(=O)(=O)c1ccsc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000572877799 564613611 /nfs/dbraw/zinc/61/36/11/564613611.db2.gz CABYVCMQBXQYKR-UHFFFAOYSA-N 0 0 376.362 2.519 20 5 GFBDRN CCOC(=O)Cc1nnc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000485511516 564618026 /nfs/dbraw/zinc/61/80/26/564618026.db2.gz CGDRGGZWPSFVHL-UHFFFAOYSA-N 0 0 382.423 2.526 20 5 GFBDRN CSCC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550321726 564620237 /nfs/dbraw/zinc/62/02/37/564620237.db2.gz TUTZTRNJGCJKIP-SECBINFHSA-N 0 0 377.260 2.510 20 5 GFBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000485594140 564621360 /nfs/dbraw/zinc/62/13/60/564621360.db2.gz OZUWJOQTTYAAFG-VIFPVBQESA-N 0 0 386.246 2.733 20 5 GFBDRN O=C(NC[C@H](CO)c1cccnc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485635884 564621967 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CC(C)(CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CCS(=O)CC1 ZINC000590578866 565192735 /nfs/dbraw/zinc/19/27/35/565192735.db2.gz VGDCHGVGBZUXKA-UHFFFAOYSA-N 0 0 379.404 2.868 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCS[C@H](C(C)C)C1 ZINC000590578851 565193266 /nfs/dbraw/zinc/19/32/66/565193266.db2.gz UPXFJTMQFBLBBS-HNNXBMFYSA-N 0 0 387.527 2.861 20 5 GFBDRN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000591786971 565240039 /nfs/dbraw/zinc/24/00/39/565240039.db2.gz ZTVBRXLNVTXLHT-RDDDGLTNSA-N 0 0 375.328 2.760 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592109461 565258356 /nfs/dbraw/zinc/25/83/56/565258356.db2.gz BGYKFTOXVZAOID-KWQFWETISA-N 0 0 395.300 2.838 20 5 GFBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C1CC1 ZINC000593378771 565329273 /nfs/dbraw/zinc/32/92/73/565329273.db2.gz SRAJBQDRGXQKME-QWHCGFSZSA-N 0 0 397.225 2.629 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[C@]1(O)CCCOC1 ZINC000593517746 565336838 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382.360 2.910 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000595396021 565472377 /nfs/dbraw/zinc/47/23/77/565472377.db2.gz BNGPOLKKMPYQFC-MNOVXSKESA-N 0 0 382.360 2.634 20 5 GFBDRN CC1(C)OCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595394017 565472892 /nfs/dbraw/zinc/47/28/92/565472892.db2.gz ZWLYGFOQSSLOFI-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1nnc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000595393087 565473125 /nfs/dbraw/zinc/47/31/25/565473125.db2.gz VTPKHHWYYFEHBI-UHFFFAOYSA-N 0 0 396.372 2.594 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595397773 565473619 /nfs/dbraw/zinc/47/36/19/565473619.db2.gz LQPZKIHHAKVQHC-MWLCHTKSSA-N 0 0 382.360 2.634 20 5 GFBDRN COc1cc(Sc2nnc(CN3CCCC3=O)o2)c(Cl)cc1[N+](=O)[O-] ZINC000596056968 565510700 /nfs/dbraw/zinc/51/07/00/565510700.db2.gz CQOLWDXASBAQCU-UHFFFAOYSA-N 0 0 384.801 2.913 20 5 GFBDRN CSc1ccc(-c2nc(CC3(CS(C)(=O)=O)CC3)no2)cc1[N+](=O)[O-] ZINC000596612960 565529763 /nfs/dbraw/zinc/52/97/63/565529763.db2.gz VHGZLJUZDZKGHD-UHFFFAOYSA-N 0 0 383.451 2.734 20 5 GFBDRN C[C@H]1CN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598000090 565588537 /nfs/dbraw/zinc/58/85/37/565588537.db2.gz XNSKQWDYPPQQJL-RYUDHWBXSA-N 0 0 387.889 2.566 20 5 GFBDRN COc1ncc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c(C)c1Br ZINC000598021819 565589095 /nfs/dbraw/zinc/58/90/95/565589095.db2.gz WNROTPRJYVTQCK-UHFFFAOYSA-N 0 0 398.217 2.603 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000598188818 565599802 /nfs/dbraw/zinc/59/98/02/565599802.db2.gz VXBMGBHLLMLPOZ-RYUDHWBXSA-N 0 0 386.495 2.791 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000598275975 565605908 /nfs/dbraw/zinc/60/59/08/565605908.db2.gz QHXUSEKUMIGVDO-LBPRGKRZSA-N 0 0 399.241 2.985 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC(O)(C1CC1)C1CC1 ZINC000598288439 565607431 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391.225 2.738 20 5 GFBDRN Cc1cc(C)c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000600997086 565763017 /nfs/dbraw/zinc/76/30/17/565763017.db2.gz QGAHVBDLWSVIJU-UHFFFAOYSA-N 0 0 379.463 2.933 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CCSCC2)CC1 ZINC000601496774 565786753 /nfs/dbraw/zinc/78/67/53/565786753.db2.gz VHVWRPYECPAMOL-UHFFFAOYSA-N 0 0 386.495 2.901 20 5 GFBDRN Cn1ncc(Br)c1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601745286 565800493 /nfs/dbraw/zinc/80/04/93/565800493.db2.gz CNJAOLSQBAOCTC-NWDGAFQWSA-N 0 0 379.214 2.511 20 5 GFBDRN C[C@@H](CN1CCOCC1)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639245 565859830 /nfs/dbraw/zinc/85/98/30/565859830.db2.gz IEBOYOOPQUVDLA-JTQLQIEISA-N 0 0 378.292 2.571 20 5 GFBDRN O=C([C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667428 565862851 /nfs/dbraw/zinc/86/28/51/565862851.db2.gz RNJRJWGJADYVEI-SNVBAGLBSA-N 0 0 388.287 2.863 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1snc(OC)c1Br ZINC000603413875 565904011 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CC(C)[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000610905505 566104877 /nfs/dbraw/zinc/10/48/77/566104877.db2.gz BLYWPAMXIILHTC-AWEZNQCLSA-N 0 0 398.257 2.734 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCc2ccc(O)cc2CC1 ZINC000611019430 566111231 /nfs/dbraw/zinc/11/12/31/566111231.db2.gz NBAJNWKPQNXPDW-UHFFFAOYSA-N 0 0 382.825 2.743 20 5 GFBDRN CC(C)(C)OC(=O)CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000611338431 566126148 /nfs/dbraw/zinc/12/61/48/566126148.db2.gz BLIPIMNHYJHVQU-UHFFFAOYSA-N 0 0 378.472 2.984 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000611469330 566130957 /nfs/dbraw/zinc/13/09/57/566130957.db2.gz JXMBSARDVYXTFO-RNCFNFMXSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1c(Br)c(NCc2ccc([S@@](C)=O)cc2)ncc1[N+](=O)[O-] ZINC000612447062 566163866 /nfs/dbraw/zinc/16/38/66/566163866.db2.gz YAILPPRTDBAUMJ-JOCHJYFZSA-N 0 0 384.255 2.832 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(C(=O)N2CCOc3ncc(Br)cc32)c1 ZINC000612516791 566164939 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393.259 2.544 20 5 GFBDRN CC1(C)CCC[C@](O)(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000782492347 657150904 /nfs/dbraw/zinc/15/09/04/657150904.db2.gz NIVVWSLKNSTRPW-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN O=C(/C=C\c1cnccn1)Oc1cc([N+](=O)[O-])ccc1I ZINC000782664629 657171164 /nfs/dbraw/zinc/17/11/64/657171164.db2.gz LUPOAFRQJCLNHB-RJRFIUFISA-N 0 0 397.128 2.608 20 5 GFBDRN COc1ccc(CSCC(=O)OCC(=O)c2nccs2)cc1[N+](=O)[O-] ZINC000782713378 657175577 /nfs/dbraw/zinc/17/55/77/657175577.db2.gz ZTHBFDXZWDQWAF-UHFFFAOYSA-N 0 0 382.419 2.719 20 5 GFBDRN Cc1nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1Br ZINC000782862887 657187780 /nfs/dbraw/zinc/18/77/80/657187780.db2.gz SFXVNLCYQWSMKM-UHFFFAOYSA-N 0 0 383.250 2.662 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCCc2c(Br)cccc21 ZINC000784121984 657290775 /nfs/dbraw/zinc/29/07/75/657290775.db2.gz OREAJVZCYGZLSW-UHFFFAOYSA-N 0 0 379.214 2.923 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c(F)cccc1Cl ZINC000784346623 657302530 /nfs/dbraw/zinc/30/25/30/657302530.db2.gz USLRSASQSLUAKZ-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN COCC[C@H](Cc1ccco1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784372062 657304042 /nfs/dbraw/zinc/30/40/42/657304042.db2.gz DKAXOLIBVJGNRC-GFCCVEGCSA-N 0 0 388.829 2.767 20 5 GFBDRN O=C(OCc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000784631636 657319896 /nfs/dbraw/zinc/31/98/96/657319896.db2.gz OTYBGZYBTDZVJO-UHFFFAOYSA-N 0 0 381.186 2.642 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000784719946 657323781 /nfs/dbraw/zinc/32/37/81/657323781.db2.gz PBBQTHCCLWRFDH-SCZZXKLOSA-N 0 0 384.230 2.861 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000784729086 657324623 /nfs/dbraw/zinc/32/46/23/657324623.db2.gz ZLTATGMVTVDRTG-UWVGGRQHSA-N 0 0 384.230 2.719 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000784756413 657325690 /nfs/dbraw/zinc/32/56/90/657325690.db2.gz WIDIWQSISTZLRW-UHFFFAOYSA-N 0 0 382.214 2.783 20 5 GFBDRN CC(C)N(C)C(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000785031098 657338227 /nfs/dbraw/zinc/33/82/27/657338227.db2.gz GRNNORKTAJDNPG-ZETCQYMHSA-N 0 0 379.232 2.831 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000785396062 657359687 /nfs/dbraw/zinc/35/96/87/657359687.db2.gz FBRFSBCHJYEMRU-OAHLLOKOSA-N 0 0 388.804 2.708 20 5 GFBDRN C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1cccc(Cl)c1 ZINC000786796872 657465531 /nfs/dbraw/zinc/46/55/31/657465531.db2.gz LBFQEMGJAUFRMR-MRXNPFEDSA-N 0 0 384.841 2.971 20 5 GFBDRN Cc1ccc(N2CCC(N3CCNC3=O)CC2)c([N+](=O)[O-])c1Br ZINC000787896894 657617367 /nfs/dbraw/zinc/61/73/67/657617367.db2.gz CZSNMRSWJXKWGG-UHFFFAOYSA-N 0 0 383.246 2.660 20 5 GFBDRN CCS(=O)(=O)N(C)CCCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000787897871 657618778 /nfs/dbraw/zinc/61/87/78/657618778.db2.gz TYGWZWDYJOREMR-UHFFFAOYSA-N 0 0 394.291 2.749 20 5 GFBDRN COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cnc1Br ZINC000788426956 657713917 /nfs/dbraw/zinc/71/39/17/657713917.db2.gz DIJXAOIVZPATNR-UHFFFAOYSA-N 0 0 395.213 2.603 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(SCCCOC(C)=O)c([N+](=O)[O-])c1 ZINC000788579995 657747274 /nfs/dbraw/zinc/74/72/74/657747274.db2.gz JJHAZEXZRRXZPJ-UHFFFAOYSA-N 0 0 390.483 2.671 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)c1ccccc1Br ZINC000789045368 657812618 /nfs/dbraw/zinc/81/26/18/657812618.db2.gz YRFFXKDHSBDZPO-VIFPVBQESA-N 0 0 396.197 2.677 20 5 GFBDRN C[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)c1ccccc1Br ZINC000789076459 657817380 /nfs/dbraw/zinc/81/73/80/657817380.db2.gz DGSOCBRQFQQQGD-QMMMGPOBSA-N 0 0 382.170 2.519 20 5 GFBDRN Cc1nn(CN2CCN(c3cccc(Br)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000789546188 657862147 /nfs/dbraw/zinc/86/21/47/657862147.db2.gz QEOGULOFSVLZFG-UHFFFAOYSA-N 0 0 394.273 2.950 20 5 GFBDRN COc1nc(Br)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000789698757 657883350 /nfs/dbraw/zinc/88/33/50/657883350.db2.gz OPSFHYBMACKQSN-UHFFFAOYSA-N 0 0 396.153 2.742 20 5 GFBDRN CS(=O)(=O)CC1(COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000790296293 657949237 /nfs/dbraw/zinc/94/92/37/657949237.db2.gz SFNHRDFUOCDFTM-UHFFFAOYSA-N 0 0 382.207 2.700 20 5 GFBDRN O=C(NCc1cocn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790711837 658014830 /nfs/dbraw/zinc/01/48/30/658014830.db2.gz OOWUVGYXRXJQRB-UHFFFAOYSA-N 0 0 381.186 2.613 20 5 GFBDRN O=C(N[C@H]1CCSC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790751859 658018758 /nfs/dbraw/zinc/01/87/58/658018758.db2.gz DUZCWPYWWFNLQK-VIFPVBQESA-N 0 0 386.271 2.931 20 5 GFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Cl)o2)c(C)c1[N+](=O)[O-] ZINC000790822614 658029514 /nfs/dbraw/zinc/02/95/14/658029514.db2.gz RZNUSDSLLDAJTE-UHFFFAOYSA-N 0 0 389.773 2.845 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000790866623 658037661 /nfs/dbraw/zinc/03/76/61/658037661.db2.gz KYEBLTJNVFOIFC-YRGRVCCFSA-N 0 0 388.536 2.870 20 5 GFBDRN COC(=O)[C@@H](C)N(C1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790910301 658043636 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CCc1[nH]nc(C(=O)OCc2c(Cl)n(C)nc2C(F)(F)F)c1[N+](=O)[O-] ZINC000795617261 658836076 /nfs/dbraw/zinc/83/60/76/658836076.db2.gz UQFSRJWISOLCLM-UHFFFAOYSA-N 0 0 381.698 2.643 20 5 GFBDRN Cc1nc(SC(F)F)sc1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000795937949 658874830 /nfs/dbraw/zinc/87/48/30/658874830.db2.gz OEMZGNAJXMWZFI-UHFFFAOYSA-N 0 0 378.382 2.657 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H](C2CC2)O1 ZINC000795963465 658877321 /nfs/dbraw/zinc/87/73/21/658877321.db2.gz MEMHSKWWFKFITP-PELKAZGASA-N 0 0 378.809 2.575 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H](C2CC2)O1 ZINC000795963471 658877362 /nfs/dbraw/zinc/87/73/62/658877362.db2.gz MEMHSKWWFKFITP-PRHODGIISA-N 0 0 378.809 2.575 20 5 GFBDRN C[C@@H](CO)N(CC1CCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795964169 658877791 /nfs/dbraw/zinc/87/77/91/658877791.db2.gz PSOJPAAARONRNJ-VIFPVBQESA-N 0 0 380.825 2.559 20 5 GFBDRN CCc1ccc([C@@H](O)CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796006709 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390.826 2.623 20 5 GFBDRN C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000798611136 659126264 /nfs/dbraw/zinc/12/62/64/659126264.db2.gz WSLPTUIIPJBDIH-ZETCQYMHSA-N 0 0 389.145 2.724 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(C)C ZINC000799778907 659225482 /nfs/dbraw/zinc/22/54/82/659225482.db2.gz JTXRGXWXHFIVAJ-LBPRGKRZSA-N 0 0 395.275 2.615 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(C)C ZINC000799778906 659225720 /nfs/dbraw/zinc/22/57/20/659225720.db2.gz JTXRGXWXHFIVAJ-GFCCVEGCSA-N 0 0 395.275 2.615 20 5 GFBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1cccc(Br)c1 ZINC000800584484 659318996 /nfs/dbraw/zinc/31/89/96/659318996.db2.gz RSGHJQUMBIAKBC-AWEZNQCLSA-N 0 0 395.209 2.586 20 5 GFBDRN Cc1cc(C)cc([C@@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000800966926 659359987 /nfs/dbraw/zinc/35/99/87/659359987.db2.gz QAGTXTATDHSFLR-HNNXBMFYSA-N 0 0 384.841 2.877 20 5 GFBDRN CN(C(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000801328196 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Cc1ccc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000331923424 563567647 /nfs/dbraw/zinc/56/76/47/563567647.db2.gz OPELWELZKYNFLY-LBPRGKRZSA-N 0 0 385.492 2.839 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1c(F)ccc(Br)c1F ZINC000409941730 563575386 /nfs/dbraw/zinc/57/53/86/563575386.db2.gz CDACBEZWXGNIOG-UHFFFAOYSA-N 0 0 375.129 2.550 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cccc(C(F)(F)F)n2)s1 ZINC000432299284 563579654 /nfs/dbraw/zinc/57/96/54/563579654.db2.gz ARUPYFYNCTYGLL-UHFFFAOYSA-N 0 0 381.357 2.591 20 5 GFBDRN Cn1c(C(=O)N[C@H]2CCOc3c(Br)cccc32)ccc1[N+](=O)[O-] ZINC000410275533 563585945 /nfs/dbraw/zinc/58/59/45/563585945.db2.gz IFQJLTPCQSQRTI-NSHDSACASA-N 0 0 380.198 2.949 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332247925 563586899 /nfs/dbraw/zinc/58/68/99/563586899.db2.gz QVIVFAWLUXOHFX-LOWVWBTDSA-N 0 0 383.242 2.899 20 5 GFBDRN Cc1nnc([C@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)[nH]1 ZINC000287165452 563590574 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GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(CC(=O)NC(C)C)no1 ZINC000288953376 563662815 /nfs/dbraw/zinc/66/28/15/563662815.db2.gz APAJNGRJODAINS-UHFFFAOYSA-N 0 0 383.202 2.783 20 5 GFBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CC(F)(F)F ZINC000412639117 563664777 /nfs/dbraw/zinc/66/47/77/563664777.db2.gz RIIWLRUEASFHIL-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1nnc(C2CC2)s1 ZINC000412888532 563673921 /nfs/dbraw/zinc/67/39/21/563673921.db2.gz FULUNBSKIYRTFZ-UHFFFAOYSA-N 0 0 397.254 2.945 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289450604 563674250 /nfs/dbraw/zinc/67/42/50/563674250.db2.gz FODCCZPDJJEGEL-DZGCQCFKSA-N 0 0 386.857 2.970 20 5 GFBDRN CCCS(=O)(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000350819875 563677136 /nfs/dbraw/zinc/67/71/36/563677136.db2.gz OHOGPKJVGTWBAQ-UHFFFAOYSA-N 0 0 390.215 2.732 20 5 GFBDRN Cc1cnn([C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)C2)c1 ZINC000289517726 563677358 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/nfs/dbraw/zinc/82/95/94/563829594.db2.gz XTNJYRVYRHRBCB-ONGXEEELSA-N 0 0 382.360 2.538 20 5 GFBDRN CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453331 563830787 /nfs/dbraw/zinc/83/07/87/563830787.db2.gz CTDHWGSVOVFHPQ-ZANVPECISA-N 0 0 384.376 2.689 20 5 GFBDRN Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416458254 563831726 /nfs/dbraw/zinc/83/17/26/563831726.db2.gz QDHZDHVLLMMGID-LURJTMIESA-N 0 0 396.372 2.813 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000367129607 563831851 /nfs/dbraw/zinc/83/18/51/563831851.db2.gz UWPNLBYTOAMDMN-UHFFFAOYSA-N 0 0 390.193 2.885 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC2(CCO2)CC1 ZINC000367152980 563833629 /nfs/dbraw/zinc/83/36/29/563833629.db2.gz JONSEVUGIQPAEL-UHFFFAOYSA-N 0 0 380.344 2.648 20 5 GFBDRN COC[C@@]1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416489995 563838034 /nfs/dbraw/zinc/83/80/34/563838034.db2.gz SITNLGXYAIFRJV-ZDUSSCGKSA-N 0 0 382.360 2.661 20 5 GFBDRN Cc1c(Br)c(N[C@H]2CCCN(c3ccnn3C)C2)ncc1[N+](=O)[O-] ZINC000444867281 563838555 /nfs/dbraw/zinc/83/85/55/563838555.db2.gz BXEORFJEMHCITO-NSHDSACASA-N 0 0 395.261 2.875 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@@H]3c3nnc[nH]3)n2)c(Br)c1 ZINC000367302092 563839701 /nfs/dbraw/zinc/83/97/01/563839701.db2.gz UHUJTMPESKCZCR-UWVGGRQHSA-N 0 0 391.185 2.720 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000416506113 563840082 /nfs/dbraw/zinc/84/00/82/563840082.db2.gz FFBVNZGCSUPVGE-UKRRQHHQSA-N 0 0 382.463 2.996 20 5 GFBDRN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000294374124 563840470 /nfs/dbraw/zinc/84/04/70/563840470.db2.gz RROKQHZVHWZJTO-RMLUDKJBSA-N 0 0 375.194 2.777 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3c(c(Br)c2)OCO3)n1 ZINC000445585700 563850714 /nfs/dbraw/zinc/85/07/14/563850714.db2.gz ZBYMBLYSCCHDDE-UHFFFAOYSA-N 0 0 394.141 2.537 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(COc2ccc(Br)cc2F)n1 ZINC000445570724 563850726 /nfs/dbraw/zinc/85/07/26/563850726.db2.gz IPPRJUHGWZGLMX-UHFFFAOYSA-N 0 0 398.148 2.859 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)O1 ZINC000416609066 563853060 /nfs/dbraw/zinc/85/30/60/563853060.db2.gz UBOOHPZETCEXKS-KXUCPTDWSA-N 0 0 382.360 2.705 20 5 GFBDRN O=C(CN1CCc2ncsc2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000445878936 563854737 /nfs/dbraw/zinc/85/47/37/563854737.db2.gz XHGVLGDTTWMVTB-UHFFFAOYSA-N 0 0 397.254 2.811 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416634268 563855966 /nfs/dbraw/zinc/85/59/66/563855966.db2.gz YSLPRJLJTZUKJC-GWCFXTLKSA-N 0 0 384.376 2.687 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCCc3cc[nH]c(=O)c32)cc1[N+](=O)[O-] ZINC000367975293 563860832 /nfs/dbraw/zinc/86/08/32/563860832.db2.gz WORCSAHXEURQMU-UHFFFAOYSA-N 0 0 383.813 2.799 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC(F)(F)F)c(Br)c1 ZINC000447025800 563872635 /nfs/dbraw/zinc/87/26/35/563872635.db2.gz DYLGWNIRDMVZIW-UHFFFAOYSA-N 0 0 377.138 2.588 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447020836 563872623 /nfs/dbraw/zinc/87/26/23/563872623.db2.gz MGRSYQAKHMSOAW-GFCCVEGCSA-N 0 0 395.275 2.697 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000368601351 563875236 /nfs/dbraw/zinc/87/52/36/563875236.db2.gz GDZDYBXNEVKNBF-KGLIPLIRSA-N 0 0 386.857 2.747 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000368999693 563884270 /nfs/dbraw/zinc/88/42/70/563884270.db2.gz FYGWUDJMDOJREX-SNVBAGLBSA-N 0 0 397.189 2.699 20 5 GFBDRN COc1ccc(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)c([N+](=O)[O-])c1 ZINC000471104694 564185254 /nfs/dbraw/zinc/18/52/54/564185254.db2.gz PHSXWFJPHQBKJN-UHFFFAOYSA-N 0 0 384.435 2.770 20 5 GFBDRN CC[C@H]1[C@H](CO)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421063 564186087 /nfs/dbraw/zinc/18/60/87/564186087.db2.gz KTAQWWGWKPJMJQ-FZMZJTMJSA-N 0 0 390.221 2.792 20 5 GFBDRN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC(=O)N1 ZINC000449525443 564190047 /nfs/dbraw/zinc/19/00/47/564190047.db2.gz SECWGCPFLWJAJB-JTQLQIEISA-N 0 0 394.225 2.938 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000471436056 564194857 /nfs/dbraw/zinc/19/48/57/564194857.db2.gz KZFWKFDIEXVZRQ-GZMMTYOYSA-N 0 0 383.177 2.516 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000471545320 564197804 /nfs/dbraw/zinc/19/78/04/564197804.db2.gz FRONVBOKNSPTPH-UHFFFAOYSA-N 0 0 381.142 2.519 20 5 GFBDRN CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000538760305 564200475 /nfs/dbraw/zinc/20/04/75/564200475.db2.gz DKFAEQLMUDIUDI-UHFFFAOYSA-N 0 0 390.483 2.835 20 5 GFBDRN COc1ccccc1S(=O)(=O)CCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000506568100 564204806 /nfs/dbraw/zinc/20/48/06/564204806.db2.gz LGLUEKSGWZBIQM-UHFFFAOYSA-N 0 0 386.813 2.895 20 5 GFBDRN Nc1c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cccc1[N+](=O)[O-] ZINC000506665730 564208115 /nfs/dbraw/zinc/20/81/15/564208115.db2.gz PUKQJRNQDLQZPU-LLVKDONJSA-N 0 0 396.172 2.942 20 5 GFBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1cn2ccc(Br)cc2n1 ZINC000506721547 564210201 /nfs/dbraw/zinc/21/02/01/564210201.db2.gz DNUIQMREFNDRKB-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN CCN(CCCn1cc(Br)cc([N+](=O)[O-])c1=O)CC(F)(F)F ZINC000472207759 564216474 /nfs/dbraw/zinc/21/64/74/564216474.db2.gz QUQBEGHTOZFZNQ-UHFFFAOYSA-N 0 0 386.168 2.793 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000539354400 564216576 /nfs/dbraw/zinc/21/65/76/564216576.db2.gz FPDIDHKIEURTCB-LBPRGKRZSA-N 0 0 386.495 2.602 20 5 GFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000539488535 564220743 /nfs/dbraw/zinc/22/07/43/564220743.db2.gz HBGQQKZLRADGDB-UHFFFAOYSA-N 0 0 396.197 2.707 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(Cl)cn1 ZINC000472338792 564221234 /nfs/dbraw/zinc/22/12/34/564221234.db2.gz BKAWGQGNIUPSME-UHFFFAOYSA-N 0 0 385.829 2.563 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000539592544 564223289 /nfs/dbraw/zinc/22/32/89/564223289.db2.gz FKYHSBUGMSMUFG-ZDUSSCGKSA-N 0 0 386.495 2.746 20 5 GFBDRN COc1ccccc1[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000539799009 564228838 /nfs/dbraw/zinc/22/88/38/564228838.db2.gz AYGVLGKXKFDMGS-CQSZACIVSA-N 0 0 395.209 2.829 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472700479 564230993 /nfs/dbraw/zinc/23/09/93/564230993.db2.gz QQKAOUTXVTUGGT-LLVKDONJSA-N 0 0 396.368 2.687 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1(CCO)CCCC1 ZINC000473577199 564249927 /nfs/dbraw/zinc/24/99/27/564249927.db2.gz YWGOZUWEGDSHAK-UHFFFAOYSA-N 0 0 385.258 2.959 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000473605741 564250877 /nfs/dbraw/zinc/25/08/77/564250877.db2.gz DHLZVNZUMCYTMI-JOYOIKCWSA-N 0 0 396.172 2.883 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ncc[nH]3)no2)c(I)c1 ZINC000508043676 564251035 /nfs/dbraw/zinc/25/10/35/564251035.db2.gz VXYCGDUGJZMJCK-UHFFFAOYSA-N 0 0 383.105 2.640 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000450865088 564251977 /nfs/dbraw/zinc/25/19/77/564251977.db2.gz RRWHVWKFBRRUPF-GWCFXTLKSA-N 0 0 383.451 2.636 20 5 GFBDRN O=C(CCSCc1ccc([N+](=O)[O-])cc1)NC(=O)NCCC(F)(F)F ZINC000450895393 564254117 /nfs/dbraw/zinc/25/41/17/564254117.db2.gz XNMFNOBKVWLMMT-UHFFFAOYSA-N 0 0 379.360 2.996 20 5 GFBDRN Cn1ccnc1[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450952516 564255755 /nfs/dbraw/zinc/25/57/55/564255755.db2.gz UJOQJQBISQYPEF-ZYHUDNBSSA-N 0 0 382.218 2.818 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000540847813 564258670 /nfs/dbraw/zinc/25/86/70/564258670.db2.gz GLFHICFNPHLQLR-UHFFFAOYSA-N 0 0 380.198 2.720 20 5 GFBDRN COc1ccc(CNS(=O)(=O)CCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000508789318 564273061 /nfs/dbraw/zinc/27/30/61/564273061.db2.gz MWINXXYLKJANRF-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN COC[C@]1(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000451204789 564286662 /nfs/dbraw/zinc/28/66/62/564286662.db2.gz YLIKOGCFPXJDFH-OAHLLOKOSA-N 0 0 386.246 2.654 20 5 GFBDRN C[C@@H]1Oc2ccc(Nc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2NC1=O ZINC000542101690 564301309 /nfs/dbraw/zinc/30/13/09/564301309.db2.gz JMJDWUUACHUKNN-ZETCQYMHSA-N 0 0 383.407 2.523 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](CN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000509491827 564302177 /nfs/dbraw/zinc/30/21/77/564302177.db2.gz BTUCQHMVEMKJGH-CYBMUJFWSA-N 0 0 399.289 2.609 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000542220074 564305191 /nfs/dbraw/zinc/30/51/91/564305191.db2.gz NCTGUQBCMIZABV-UHFFFAOYSA-N 0 0 381.182 2.647 20 5 GFBDRN COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000542240933 564306626 /nfs/dbraw/zinc/30/66/26/564306626.db2.gz CQGLUOIVIWVFLS-GFCCVEGCSA-N 0 0 388.829 2.767 20 5 GFBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000542748149 564323630 /nfs/dbraw/zinc/32/36/30/564323630.db2.gz BADDCAAXCZRAAP-ICBMNTSNSA-N 0 0 388.511 2.570 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)C[C@@H]1CCCC1(F)F)CCO2 ZINC000451567016 564326859 /nfs/dbraw/zinc/32/68/59/564326859.db2.gz NJCPHVNNRNFNTO-LBPRGKRZSA-N 0 0 376.381 2.554 20 5 GFBDRN CCNc1ccc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000542871228 564329805 /nfs/dbraw/zinc/32/98/05/564329805.db2.gz VNWLYEOYOZRCEL-UHFFFAOYSA-N 0 0 395.213 2.740 20 5 GFBDRN C[C@]1(F)CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000451600159 564330024 /nfs/dbraw/zinc/33/00/24/564330024.db2.gz QELFMTKLXYAAMW-LBPRGKRZSA-N 0 0 381.223 2.870 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CSc2ccccc21 ZINC000451613806 564331320 /nfs/dbraw/zinc/33/13/20/564331320.db2.gz OIXJGBBLEYTWRP-AWEZNQCLSA-N 0 0 378.475 2.946 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000510522741 564336647 /nfs/dbraw/zinc/33/66/47/564336647.db2.gz IXOOMEDCLVPDNO-RDDDGLTNSA-N 0 0 395.300 2.696 20 5 GFBDRN Cc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000510675129 564343156 /nfs/dbraw/zinc/34/31/56/564343156.db2.gz ONENEJGJMPPWIJ-LLVKDONJSA-N 0 0 386.817 2.856 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476653292 564350144 /nfs/dbraw/zinc/35/01/44/564350144.db2.gz CXKQJQLJZHZAOU-SECBINFHSA-N 0 0 379.214 2.850 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000476670078 564350455 /nfs/dbraw/zinc/35/04/55/564350455.db2.gz ZESOOQREALQCCJ-SECBINFHSA-N 0 0 384.223 2.644 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cnc(C3CCC3)s2)cc1 ZINC000543620727 564355984 /nfs/dbraw/zinc/35/59/84/564355984.db2.gz JSGZKUCPBQTNJF-UHFFFAOYSA-N 0 0 381.479 2.882 20 5 GFBDRN O=C1[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)cc1 ZINC000477036790 564362545 /nfs/dbraw/zinc/36/25/45/564362545.db2.gz NYPQOWOQZHEHRA-OAHLLOKOSA-N 0 0 380.809 2.827 20 5 GFBDRN COC(=O)CC1(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000511306181 564366341 /nfs/dbraw/zinc/36/63/41/564366341.db2.gz MVLHUVYTUHPWKH-UHFFFAOYSA-N 0 0 385.214 2.881 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000544076082 564373206 /nfs/dbraw/zinc/37/32/06/564373206.db2.gz SCLPIAQCPOLQCT-UHFFFAOYSA-N 0 0 381.142 2.519 20 5 GFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Sc1ccc(Br)cc1 ZINC000511714402 564380038 /nfs/dbraw/zinc/38/00/38/564380038.db2.gz UHSHUXLPJIWLFJ-MRVPVSSYSA-N 0 0 385.243 2.991 20 5 GFBDRN O=C(Cc1ccc(Br)cc1O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000477615363 564382124 /nfs/dbraw/zinc/38/21/24/564382124.db2.gz IVCGPKQSTVFBED-UHFFFAOYSA-N 0 0 379.210 2.964 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC(OCC(F)F)C2)cc1[N+](=O)[O-] ZINC000511786842 564382374 /nfs/dbraw/zinc/38/23/74/564382374.db2.gz WAIKVINOIYQSRW-UHFFFAOYSA-N 0 0 379.157 2.772 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CO)c1cccc(Cl)c1F ZINC000544596122 564389711 /nfs/dbraw/zinc/38/97/11/564389711.db2.gz NPPQCMGTQXTYTR-GFCCVEGCSA-N 0 0 388.804 2.708 20 5 GFBDRN CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000544612373 564390891 /nfs/dbraw/zinc/39/08/91/564390891.db2.gz XYMSANSXSRHNHN-MRVPVSSYSA-N 0 0 399.252 2.864 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000477965324 564391763 /nfs/dbraw/zinc/39/17/63/564391763.db2.gz MDZJWCJGPSBTQL-KWBADKCTSA-N 0 0 384.230 2.839 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H](CCCO)C1 ZINC000452108534 564393736 /nfs/dbraw/zinc/39/37/36/564393736.db2.gz FFBVSQPBXXRLDE-SECBINFHSA-N 0 0 383.253 2.685 20 5 GFBDRN COc1cc(F)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000512170296 564394608 /nfs/dbraw/zinc/39/46/08/564394608.db2.gz KLQNFGACOCZPSF-QMMMGPOBSA-N 0 0 390.414 2.852 20 5 GFBDRN O=c1ccc(Br)cn1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000544912820 564404310 /nfs/dbraw/zinc/40/43/10/564404310.db2.gz URTWXZIVDBIFMN-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCn1cccc1 ZINC000512829998 564412949 /nfs/dbraw/zinc/41/29/49/564412949.db2.gz WNQNSNMPBAFFPC-UHFFFAOYSA-N 0 0 399.188 2.739 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000478885153 564417420 /nfs/dbraw/zinc/41/74/20/564417420.db2.gz QYKITLXGNOIBHD-ONGXEEELSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1nnc(COCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000513362329 564427725 /nfs/dbraw/zinc/42/77/25/564427725.db2.gz ZFAWEJJBKUKPKD-OAHLLOKOSA-N 0 0 380.451 2.546 20 5 GFBDRN COc1ccc(Br)cc1-c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000545638989 564429967 /nfs/dbraw/zinc/42/99/67/564429967.db2.gz QSRBXDLRFVUENY-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN O=C(COc1ccc(I)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000479183591 564430382 /nfs/dbraw/zinc/43/03/82/564430382.db2.gz HEJQKCGHNWOHNW-VIFPVBQESA-N 0 0 391.161 2.574 20 5 GFBDRN CCOC[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000479201796 564431093 /nfs/dbraw/zinc/43/10/93/564431093.db2.gz LMLJVAJXXFQWRA-VIFPVBQESA-N 0 0 383.253 2.949 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000568802477 564435373 /nfs/dbraw/zinc/43/53/73/564435373.db2.gz DELMSTNJEKRASG-CQSZACIVSA-N 0 0 383.495 2.854 20 5 GFBDRN CC(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000513639499 564435737 /nfs/dbraw/zinc/43/57/37/564435737.db2.gz CJBLWQIJYWPSPR-UHFFFAOYSA-N 0 0 383.447 2.751 20 5 GFBDRN CCOC(=O)CC(C)(C)N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000479335349 564436488 /nfs/dbraw/zinc/43/64/88/564436488.db2.gz OWUYBQRAJTWWAM-UHFFFAOYSA-N 0 0 392.861 2.909 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000453009420 564442126 /nfs/dbraw/zinc/44/21/26/564442126.db2.gz MOAARNOLOPDFNV-YGRLFVJLSA-N 0 0 381.226 2.992 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000546172249 564447509 /nfs/dbraw/zinc/44/75/09/564447509.db2.gz MTYPZRAWQAEAKU-ZDUSSCGKSA-N 0 0 381.841 2.805 20 5 GFBDRN CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000514922509 564461753 /nfs/dbraw/zinc/46/17/53/564461753.db2.gz SVGVURRSDVQHJG-FZMZJTMJSA-N 0 0 384.479 2.583 20 5 GFBDRN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCSC[C@H]1c1nccs1 ZINC000546728972 564466057 /nfs/dbraw/zinc/46/60/57/564466057.db2.gz AKHQATYSRLFFNT-NSHDSACASA-N 0 0 379.419 2.710 20 5 GFBDRN O=c1ccc(Br)cn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000546964446 564475231 /nfs/dbraw/zinc/47/52/31/564475231.db2.gz PASHJTFEAVJCEB-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN CCOC(=O)C[C@H]1C[C@@H](OC)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000480498419 564475808 /nfs/dbraw/zinc/47/58/08/564475808.db2.gz WNBCAAZHWQNQAG-VXGBXAGGSA-N 0 0 387.230 2.904 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(Br)ccc3F)no2)n1 ZINC000546985431 564476214 /nfs/dbraw/zinc/47/62/14/564476214.db2.gz IQHQKPDIJISPQX-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN CC(C)N(CCc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1)S(C)(=O)=O ZINC000547055175 564476576 /nfs/dbraw/zinc/47/65/76/564476576.db2.gz RWWXDCSJXVGNNJ-UHFFFAOYSA-N 0 0 388.833 2.511 20 5 GFBDRN CN(CCc1ccccc1[N+](=O)[O-])c1ncc(I)cn1 ZINC000569835516 564480129 /nfs/dbraw/zinc/48/01/29/564480129.db2.gz LTGVTTAQNPNOID-UHFFFAOYSA-N 0 0 384.177 2.668 20 5 GFBDRN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCSc2ccccc21 ZINC000515604783 564483117 /nfs/dbraw/zinc/48/31/17/564483117.db2.gz OAHKOJJTDLNUEB-UHFFFAOYSA-N 0 0 383.227 2.693 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000480846979 564490865 /nfs/dbraw/zinc/49/08/65/564490865.db2.gz ULPCYDMGMYPHJJ-UHFFFAOYSA-N 0 0 375.328 2.796 20 5 GFBDRN CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000480876010 564493043 /nfs/dbraw/zinc/49/30/43/564493043.db2.gz OAFDFAOWTRWCAC-LLVKDONJSA-N 0 0 378.472 2.707 20 5 GFBDRN CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480873822 564493220 /nfs/dbraw/zinc/49/32/20/564493220.db2.gz DQQWWHXMQKYBQQ-GFCCVEGCSA-N 0 0 392.861 2.991 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(COc3ccccc3)C2)c(Cl)c1 ZINC000570545124 564511538 /nfs/dbraw/zinc/51/15/38/564511538.db2.gz IKZFIIITRLQDFP-UHFFFAOYSA-N 0 0 382.825 2.948 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cn1 ZINC000455032365 564532797 /nfs/dbraw/zinc/53/27/97/564532797.db2.gz ITEZQWPABWGQRW-ZDUSSCGKSA-N 0 0 392.213 2.938 20 5 GFBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(N(C)C)s2)c([N+](=O)[O-])c1 ZINC000518168676 564547827 /nfs/dbraw/zinc/54/78/27/564547827.db2.gz HZMYWVWJXXSQGZ-MRVPVSSYSA-N 0 0 383.455 2.640 20 5 GFBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000482807464 564550667 /nfs/dbraw/zinc/55/06/67/564550667.db2.gz YQVOWLKOVFMYSW-UHFFFAOYSA-N 0 0 383.177 2.746 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)CC(F)(F)F ZINC000482909210 564552628 /nfs/dbraw/zinc/55/26/28/564552628.db2.gz FLLZSFVTRSOZFF-VIFPVBQESA-N 0 0 383.754 2.626 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000455395593 564552800 /nfs/dbraw/zinc/55/28/00/564552800.db2.gz BIIFXTKFECBYBR-YPMHNXCESA-N 0 0 397.229 2.632 20 5 GFBDRN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H]1C ZINC000571651023 564560753 /nfs/dbraw/zinc/56/07/53/564560753.db2.gz ZOEJVAGLGBPHQZ-ONGXEEELSA-N 0 0 385.214 2.689 20 5 GFBDRN CSc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000483326318 564564536 /nfs/dbraw/zinc/56/45/36/564564536.db2.gz UNEDRPSHOCJJCR-UHFFFAOYSA-N 0 0 376.423 2.821 20 5 GFBDRN Cc1c(CNC(=O)C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000483810941 564575438 /nfs/dbraw/zinc/57/54/38/564575438.db2.gz VTDMSOOFQDADIX-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548950037 564582129 /nfs/dbraw/zinc/58/21/29/564582129.db2.gz DFWAGGXRIHCBHB-QPUJVOFHSA-N 0 0 383.202 2.586 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3sccc32)c([N+](=O)[O-])c1 ZINC000456069616 564587175 /nfs/dbraw/zinc/58/71/75/564587175.db2.gz QCGCDPDCNCXGSU-CYBMUJFWSA-N 0 0 380.447 2.867 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000484384997 564587769 /nfs/dbraw/zinc/58/77/69/564587769.db2.gz GAINKRHHNBYAPL-ZANVPECISA-N 0 0 385.214 2.771 20 5 GFBDRN CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H](C)O ZINC000456214771 564594823 /nfs/dbraw/zinc/59/48/23/564594823.db2.gz KOQZVSAQJSFGKC-PRHODGIISA-N 0 0 387.223 2.977 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456281257 564599278 /nfs/dbraw/zinc/59/92/78/564599278.db2.gz UWFOIHKHYHOGNV-CYBMUJFWSA-N 0 0 397.204 2.887 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000549922458 564608837 /nfs/dbraw/zinc/60/88/37/564608837.db2.gz NZIDCGGEBLXFBP-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN CC(C)N1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000521080551 564619136 /nfs/dbraw/zinc/61/91/36/564619136.db2.gz YNLGFMNWEAZHJO-NSHDSACASA-N 0 0 393.241 2.749 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@H](COCC2CC2)C1 ZINC000485559653 564620524 /nfs/dbraw/zinc/62/05/24/564620524.db2.gz JXGZXPSJKUOEKP-ZDUSSCGKSA-N 0 0 399.241 2.625 20 5 GFBDRN CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)cc(Br)c1 ZINC000485654226 564622003 /nfs/dbraw/zinc/62/20/03/564622003.db2.gz MCPOZAWUEYMLLA-CYBMUJFWSA-N 0 0 385.193 2.960 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456690677 564624671 /nfs/dbraw/zinc/62/46/71/564624671.db2.gz LXTLNGAEKIOTDT-HQJQHLMTSA-N 0 0 397.147 2.743 20 5 GFBDRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456714237 564626997 /nfs/dbraw/zinc/62/69/97/564626997.db2.gz JGPMWEYXRQDBOJ-LLVKDONJSA-N 0 0 396.241 2.575 20 5 GFBDRN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000522038835 564642624 /nfs/dbraw/zinc/64/26/24/564642624.db2.gz SUIUIYFBHZYXNE-JTQLQIEISA-N 0 0 379.214 2.694 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000522079475 564643336 /nfs/dbraw/zinc/64/33/36/564643336.db2.gz HPEAQXZRNMJGHN-UONOGXRCSA-N 0 0 379.214 2.616 20 5 GFBDRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486242459 564645254 /nfs/dbraw/zinc/64/52/54/564645254.db2.gz WGNIUCIOHVHEHS-GFCCVEGCSA-N 0 0 383.495 2.748 20 5 GFBDRN COc1ccc(Cl)cc1S(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000486241874 564645593 /nfs/dbraw/zinc/64/55/93/564645593.db2.gz MPMDJRDTDYOTAO-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1c(Cl)cccc1Cl ZINC000522386564 564650883 /nfs/dbraw/zinc/65/08/83/564650883.db2.gz ZAEHYQKBHKOMCK-SNVBAGLBSA-N 0 0 384.219 2.983 20 5 GFBDRN C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000551494953 564651270 /nfs/dbraw/zinc/65/12/70/564651270.db2.gz QYSBANCNYAXSNX-VIFPVBQESA-N 0 0 393.197 2.568 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000551497008 564651916 /nfs/dbraw/zinc/65/19/16/564651916.db2.gz VGYSYQWXWYILIF-UHFFFAOYSA-N 0 0 390.193 2.838 20 5 GFBDRN CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000486625341 564659193 /nfs/dbraw/zinc/65/91/93/564659193.db2.gz IRVPVJKRJJVRGD-UHFFFAOYSA-N 0 0 386.149 2.668 20 5 GFBDRN C[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000486689695 564663171 /nfs/dbraw/zinc/66/31/71/564663171.db2.gz PCNAORSJPCMHAW-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@H]1COC(C)(C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000486714411 564664135 /nfs/dbraw/zinc/66/41/35/564664135.db2.gz UKZZOKPHYZARLA-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN CN(CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000487004986 564672690 /nfs/dbraw/zinc/67/26/90/564672690.db2.gz JQCUVYWOKNCOAQ-UHFFFAOYSA-N 0 0 382.770 2.584 20 5 GFBDRN O=C1CN(c2ncc([N+](=O)[O-])cc2Br)CN1Cc1ccccc1 ZINC000487073339 564674216 /nfs/dbraw/zinc/67/42/16/564674216.db2.gz JXNJSOJZANKGPU-UHFFFAOYSA-N 0 0 377.198 2.559 20 5 GFBDRN COc1cc(Br)c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1OC ZINC000524283006 564680322 /nfs/dbraw/zinc/68/03/22/564680322.db2.gz YLTCRLJZECFRGT-UHFFFAOYSA-N 0 0 384.186 2.633 20 5 GFBDRN O=[N+]([O-])c1cc2c(nc1Sc1nnc(N3CCOCC3)s1)CCCC2 ZINC000574687567 564684501 /nfs/dbraw/zinc/68/45/01/564684501.db2.gz HTXODRJTFNHWCZ-UHFFFAOYSA-N 0 0 379.467 2.708 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000525688069 564705115 /nfs/dbraw/zinc/70/51/15/564705115.db2.gz NMOVVMPUIXBZAU-NWDGAFQWSA-N 0 0 398.238 2.587 20 5 GFBDRN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525699342 564705170 /nfs/dbraw/zinc/70/51/70/564705170.db2.gz DWHCEOIQBQTKBU-JTQLQIEISA-N 0 0 378.435 2.981 20 5 GFBDRN COc1ccc(CNC(=O)Nc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000525847386 564710517 /nfs/dbraw/zinc/71/05/17/564710517.db2.gz KSNVBOZBUDREFE-UHFFFAOYSA-N 0 0 395.213 2.813 20 5 GFBDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000526021558 564716329 /nfs/dbraw/zinc/71/63/29/564716329.db2.gz XMBMPNPXMZULPW-JJPWZELDSA-N 0 0 379.463 2.700 20 5 GFBDRN CC(C)CCOCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488829290 564721455 /nfs/dbraw/zinc/72/14/55/564721455.db2.gz XXHLKIGOBVROOW-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCc1ccccc1F ZINC000488944954 564724511 /nfs/dbraw/zinc/72/45/11/564724511.db2.gz PBIKDBPFHBAPNY-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc2c1CNC2=O ZINC000553702146 564732322 /nfs/dbraw/zinc/73/23/22/564732322.db2.gz KWUFMGMUUDQNJH-UHFFFAOYSA-N 0 0 390.193 2.782 20 5 GFBDRN C[S@@](=O)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000553742022 564734207 /nfs/dbraw/zinc/73/42/07/564734207.db2.gz YNUXUPXELADPIS-RUZDIDTESA-N 0 0 380.853 2.986 20 5 GFBDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000489287331 564734867 /nfs/dbraw/zinc/73/48/67/564734867.db2.gz GTFGIIQSLBVWNR-UHFFFAOYSA-N 0 0 380.817 2.936 20 5 GFBDRN COC(=O)c1nsc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000577876146 564738295 /nfs/dbraw/zinc/73/82/95/564738295.db2.gz NNGWTFZLHCSSRV-UHFFFAOYSA-N 0 0 382.423 2.986 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](CO)c1ccccc1Cl ZINC000553902681 564744296 /nfs/dbraw/zinc/74/42/96/564744296.db2.gz VZCYVXWTNSBWML-GFCCVEGCSA-N 0 0 384.841 2.611 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000490445120 564771581 /nfs/dbraw/zinc/77/15/81/564771581.db2.gz NMKKDEPZDOIIKB-GFCCVEGCSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000490441925 564771770 /nfs/dbraw/zinc/77/17/70/564771770.db2.gz YVFOVWNGQCPHCL-LBPRGKRZSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000490455696 564772604 /nfs/dbraw/zinc/77/26/04/564772604.db2.gz XKSPDMJEZHZAOK-NSHDSACASA-N 0 0 385.442 2.661 20 5 GFBDRN Cc1c(Br)c(N2CCC(O[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000554852012 564774821 /nfs/dbraw/zinc/77/48/21/564774821.db2.gz WOULHXRVKKBHOQ-GFCCVEGCSA-N 0 0 386.246 2.835 20 5 GFBDRN CN(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921787 564777160 /nfs/dbraw/zinc/77/71/60/564777160.db2.gz APLKICXFMIORSK-GFCCVEGCSA-N 0 0 389.886 2.891 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)cc1[N+](=O)[O-] ZINC000491573882 564792605 /nfs/dbraw/zinc/79/26/05/564792605.db2.gz UWDNRUJCHTYWLJ-UHFFFAOYSA-N 0 0 382.360 2.601 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000555418993 564793354 /nfs/dbraw/zinc/79/33/54/564793354.db2.gz KKWWIOLOHQDPEZ-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN Cn1c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000492026600 564797334 /nfs/dbraw/zinc/79/73/34/564797334.db2.gz ZXRSTEYFMBCIBN-UHFFFAOYSA-N 0 0 380.813 2.613 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(NCc2nnnn2CC(F)(F)F)c1 ZINC000556288069 564817298 /nfs/dbraw/zinc/81/72/98/564817298.db2.gz QKAFEFUNCPRZHQ-UHFFFAOYSA-N 0 0 381.112 2.518 20 5 GFBDRN Cc1ccoc1CN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556455962 564826997 /nfs/dbraw/zinc/82/69/97/564826997.db2.gz JTCXZFBQGDFPDT-UHFFFAOYSA-N 0 0 396.197 2.856 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462217666 564827463 /nfs/dbraw/zinc/82/74/63/564827463.db2.gz HYTHUBNBEFJXJZ-UHFFFAOYSA-N 0 0 392.209 2.926 20 5 GFBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cncc(Br)c2)CC1 ZINC000582050659 564828686 /nfs/dbraw/zinc/82/86/86/564828686.db2.gz ORATVNITMHVNNS-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000462402433 564836993 /nfs/dbraw/zinc/83/69/93/564836993.db2.gz UWHYUYQYNSXCCV-NSHDSACASA-N 0 0 392.264 2.536 20 5 GFBDRN NC(=O)c1cccc(NCCOc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000557503759 564865431 /nfs/dbraw/zinc/86/54/31/564865431.db2.gz IFPVEAIPQAONPT-UHFFFAOYSA-N 0 0 380.198 2.947 20 5 GFBDRN C[C@@H](CO)Sc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000463069487 564869144 /nfs/dbraw/zinc/86/91/44/564869144.db2.gz XDFGDPGRQNRLIO-CPCZMJQVSA-N 0 0 388.511 2.925 20 5 GFBDRN Cn1c(C(=O)Nc2cc(Br)ccc2-n2cncn2)ccc1[N+](=O)[O-] ZINC000497771040 564875432 /nfs/dbraw/zinc/87/54/32/564875432.db2.gz FFPOCWIROZGCIR-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN Cc1c(Br)c(NC[C@H]2COc3ccccc3O2)ncc1[N+](=O)[O-] ZINC000530421731 564880192 /nfs/dbraw/zinc/88/01/92/564880192.db2.gz DTXMOEPQWNFGMR-JTQLQIEISA-N 0 0 380.198 2.735 20 5 GFBDRN COCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000530663996 564891053 /nfs/dbraw/zinc/89/10/53/564891053.db2.gz NOHKXNHOBHZWBA-UHFFFAOYSA-N 0 0 383.202 2.785 20 5 GFBDRN C[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000583593023 564898398 /nfs/dbraw/zinc/89/83/98/564898398.db2.gz IBZRQJZBWSKJME-QMTHXVAHSA-N 0 0 390.221 2.792 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)NCc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000531203524 564903789 /nfs/dbraw/zinc/90/37/89/564903789.db2.gz XBBNWOTWSUGWRB-VIFPVBQESA-N 0 0 382.218 2.949 20 5 GFBDRN O=C(NC[C@H](O)COc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531190283 564903828 /nfs/dbraw/zinc/90/38/28/564903828.db2.gz BLJSLHDRZUARJT-LBPRGKRZSA-N 0 0 395.209 2.527 20 5 GFBDRN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531334619 564907306 /nfs/dbraw/zinc/90/73/06/564907306.db2.gz VFKYOYRQPXYLTQ-MRXNPFEDSA-N 0 0 383.857 2.829 20 5 GFBDRN CC(C)(C(=O)Nc1nc2cc(Br)ccc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000464552451 564909845 /nfs/dbraw/zinc/90/98/45/564909845.db2.gz KZPALBBVYKWLAA-UHFFFAOYSA-N 0 0 393.201 2.804 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)NC(=O)NC(C)(C)C ZINC000531482257 564911772 /nfs/dbraw/zinc/91/17/72/564911772.db2.gz WEHLSVYMXUHEIH-UHFFFAOYSA-N 0 0 388.218 2.669 20 5 GFBDRN CC[C@@H](C)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000465050093 564922243 /nfs/dbraw/zinc/92/22/43/564922243.db2.gz GWISDRVHTRBPDW-CYBMUJFWSA-N 0 0 387.527 2.669 20 5 GFBDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000532113996 564929689 /nfs/dbraw/zinc/92/96/89/564929689.db2.gz IKWNOXCCCAZPKN-NSHDSACASA-N 0 0 390.483 2.789 20 5 GFBDRN COCC(=O)Nc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000532288849 564933996 /nfs/dbraw/zinc/93/39/96/564933996.db2.gz YRJRPHQAJVYCFK-UHFFFAOYSA-N 0 0 395.213 2.949 20 5 GFBDRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000532422274 564938470 /nfs/dbraw/zinc/93/84/70/564938470.db2.gz ZLDJSOKKHGSJED-NSHDSACASA-N 0 0 382.467 2.707 20 5 GFBDRN CCn1cc(S(=O)(=O)NCCCCc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000560056608 564947220 /nfs/dbraw/zinc/94/72/20/564947220.db2.gz AHTKHHCIZRQZAB-UHFFFAOYSA-N 0 0 392.890 2.827 20 5 GFBDRN CCn1cc(S(=O)(=O)NCCc2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 ZINC000533175224 564957321 /nfs/dbraw/zinc/95/73/21/564957321.db2.gz LDNBKGIMSHGUKS-UHFFFAOYSA-N 0 0 393.252 2.639 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000500626030 564958277 /nfs/dbraw/zinc/95/82/77/564958277.db2.gz GTGJBMAGEFGFRO-IUODEOHRSA-N 0 0 386.495 2.501 20 5 GFBDRN COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000467265403 564960151 /nfs/dbraw/zinc/96/01/51/564960151.db2.gz VPBSPHQORSPQJV-UHFFFAOYSA-N 0 0 386.451 2.803 20 5 GFBDRN COc1c(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)nn1C ZINC000501084104 564970025 /nfs/dbraw/zinc/97/00/25/564970025.db2.gz NOPZVWFYZWJHQF-UHFFFAOYSA-N 0 0 398.217 2.730 20 5 GFBDRN COC[C@H](C)n1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000501085426 564970230 /nfs/dbraw/zinc/97/02/30/564970230.db2.gz SIBMTBKJPRVDBA-VIFPVBQESA-N 0 0 398.217 2.827 20 5 GFBDRN CC(C)c1nc([C@@H]2COCCN2c2ncc([N+](=O)[O-])cc2Br)no1 ZINC000501098838 564970562 /nfs/dbraw/zinc/97/05/62/564970562.db2.gz FACWHUVJRWUCIJ-NSHDSACASA-N 0 0 398.217 2.837 20 5 GFBDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501096029 564970610 /nfs/dbraw/zinc/97/06/10/564970610.db2.gz SIRLLWZJFYCDRL-IUCAKERBSA-N 0 0 387.234 2.782 20 5 GFBDRN COC[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000501125873 564971750 /nfs/dbraw/zinc/97/17/50/564971750.db2.gz AKHJFFNMLYQJBV-RNCFNFMXSA-N 0 0 388.218 2.625 20 5 GFBDRN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501285535 564975902 /nfs/dbraw/zinc/97/59/02/564975902.db2.gz NXDCONHBJRMRLN-ZDUSSCGKSA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1c(Br)c(N[C@@H](CO)C[C@H](O)C(C)(C)C)ncc1[N+](=O)[O-] ZINC000561318456 564990587 /nfs/dbraw/zinc/99/05/87/564990587.db2.gz JDVYCUNGAUQHHY-KOLCDFICSA-N 0 0 376.251 2.631 20 5 GFBDRN O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)NCCCSc1ccccc1 ZINC000502138229 564992597 /nfs/dbraw/zinc/99/25/97/564992597.db2.gz KWKWHARPYGMTFL-UHFFFAOYSA-N 0 0 381.841 2.709 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000468991247 565001686 /nfs/dbraw/zinc/00/16/86/565001686.db2.gz PQTYRFFLXPNDGM-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1cccs1 ZINC000469242496 565010098 /nfs/dbraw/zinc/01/00/98/565010098.db2.gz OCWCJOOXNNTMFB-LBPRGKRZSA-N 0 0 384.435 2.873 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000503078734 565011643 /nfs/dbraw/zinc/01/16/43/565011643.db2.gz SDMGSQAWFDCGFY-CYBMUJFWSA-N 0 0 378.397 2.595 20 5 GFBDRN COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456500 565013788 /nfs/dbraw/zinc/01/37/88/565013788.db2.gz WHHUBNMKDXMNII-XHDPSFHLSA-N 0 0 390.845 2.648 20 5 GFBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cncc(I)c1 ZINC000470711153 565054367 /nfs/dbraw/zinc/05/43/67/565054367.db2.gz XBDVUVPGEYBSMT-UHFFFAOYSA-N 0 0 387.108 2.986 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000586771905 565115848 /nfs/dbraw/zinc/11/58/48/565115848.db2.gz CFKDICZMFWUSFS-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000586811099 565118943 /nfs/dbraw/zinc/11/89/43/565118943.db2.gz WPONWYCFVRZSSL-SECBINFHSA-N 0 0 379.157 2.508 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000614573499 565120798 /nfs/dbraw/zinc/12/07/98/565120798.db2.gz UWDAFXHBOURCNR-TVQRCGJNSA-N 0 0 375.244 2.920 20 5 GFBDRN O=C([C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000587093284 565120773 /nfs/dbraw/zinc/12/07/73/565120773.db2.gz XIDZKSZPPVIYMT-NSHDSACASA-N 0 0 388.251 2.977 20 5 GFBDRN CN(Cc1cc(I)cc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000589255084 565157562 /nfs/dbraw/zinc/15/75/62/565157562.db2.gz FPLBCZZZYQRLQG-UHFFFAOYSA-N 0 0 384.177 2.621 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000590165151 565180093 /nfs/dbraw/zinc/18/00/93/565180093.db2.gz NRNRNXMXLPELBG-CYBMUJFWSA-N 0 0 382.360 2.715 20 5 GFBDRN Cc1nc(CS(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000616175960 565192726 /nfs/dbraw/zinc/19/27/26/565192726.db2.gz ISGHOSSOGNLYON-CQSZACIVSA-N 0 0 385.492 2.937 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000617239491 565228171 /nfs/dbraw/zinc/22/81/71/565228171.db2.gz AWTLHKUQWAOGRA-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000591786332 565240301 /nfs/dbraw/zinc/24/03/01/565240301.db2.gz UJEZOSNRIYRICN-LHLIQPBNSA-N 0 0 385.136 2.707 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC=CC1 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GFBDRN COC(=O)c1csc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000747282360 655776172 /nfs/dbraw/zinc/77/61/72/655776172.db2.gz NCWAVLQVRFISEW-UHFFFAOYSA-N 0 0 377.783 2.864 20 5 GFBDRN NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c(F)c1 ZINC000747876712 655784785 /nfs/dbraw/zinc/78/47/85/655784785.db2.gz MBFQPMOTTWDZDS-UHFFFAOYSA-N 0 0 382.145 2.848 20 5 GFBDRN O=C(OCC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1I ZINC000749206368 655801840 /nfs/dbraw/zinc/80/18/40/655801840.db2.gz IVSAVJDHZBRAAP-SNVBAGLBSA-N 0 0 391.161 2.925 20 5 GFBDRN Nc1c(Cl)nccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000749306771 655803017 /nfs/dbraw/zinc/80/30/17/655803017.db2.gz OCSKYBMVDFXAHW-UHFFFAOYSA-N 0 0 385.163 2.674 20 5 GFBDRN CS(=O)(=O)Cc1ccccc1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000749829065 655807872 /nfs/dbraw/zinc/80/78/72/655807872.db2.gz NLESIHSPXVNLAV-UHFFFAOYSA-N 0 0 379.463 2.626 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750518262 655814768 /nfs/dbraw/zinc/81/47/68/655814768.db2.gz PRCNCXQTMYBYPH-NXEZZACHSA-N 0 0 387.205 2.995 20 5 GFBDRN O=C(Nc1ccncc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000750648694 655816032 /nfs/dbraw/zinc/81/60/32/655816032.db2.gz YMFSAXMITDHQHJ-UHFFFAOYSA-N 0 0 377.198 2.764 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751390823 655826308 /nfs/dbraw/zinc/82/63/08/655826308.db2.gz HBOMXNRFQRWKGC-YMTOWFKASA-N 0 0 388.804 2.788 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](O)c1ccccc1Cl ZINC000751426196 655826906 /nfs/dbraw/zinc/82/69/06/655826906.db2.gz VKOIPCYLIZYNCP-HNNXBMFYSA-N 0 0 384.841 2.877 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Cc1ccccc1Br ZINC000751597300 655831587 /nfs/dbraw/zinc/83/15/87/655831587.db2.gz QAVRHETWHYVCAA-UHFFFAOYSA-N 0 0 393.193 2.908 20 5 GFBDRN CCCCNC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751691678 655832742 /nfs/dbraw/zinc/83/27/42/655832742.db2.gz LUDZHVUHFLTSQB-QMMMGPOBSA-N 0 0 391.193 2.958 20 5 GFBDRN O=C(OCCOC[C@@H]1CCCO1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751691705 655832756 /nfs/dbraw/zinc/83/27/56/655832756.db2.gz MBWJMVXQUSQQGR-VIFPVBQESA-N 0 0 392.177 2.849 20 5 GFBDRN CCn1nc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000752247284 655841334 /nfs/dbraw/zinc/84/13/34/655841334.db2.gz LHOSFRGJXZZKKN-UHFFFAOYSA-N 0 0 386.861 2.868 20 5 GFBDRN C[C@H]1COC(C)(C)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000752975396 655848959 /nfs/dbraw/zinc/84/89/59/655848959.db2.gz FDQKHPUZZMOSNY-VIFPVBQESA-N 0 0 382.360 2.892 20 5 GFBDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000753146820 655850777 /nfs/dbraw/zinc/85/07/77/655850777.db2.gz OEKWMMIGHWGVBN-DXTPNHAXSA-N 0 0 382.829 2.678 20 5 GFBDRN Cc1c(Br)cc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000753432235 655854385 /nfs/dbraw/zinc/85/43/85/655854385.db2.gz YTZJRURRXKJNJD-UHFFFAOYSA-N 0 0 397.181 2.732 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000753658137 655856999 /nfs/dbraw/zinc/85/69/99/655856999.db2.gz HNNVSUNQYKMFDT-AWEZNQCLSA-N 0 0 380.198 2.524 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000755967528 655892148 /nfs/dbraw/zinc/89/21/48/655892148.db2.gz NCMHPYOYPFIVBI-ZZDSUILFSA-N 0 0 386.426 2.511 20 5 GFBDRN CNc1nc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000756211292 655896901 /nfs/dbraw/zinc/89/69/01/655896901.db2.gz SOLBEFRCSZDDHT-SSDOTTSWSA-N 0 0 384.801 2.930 20 5 GFBDRN CCCc1noc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000756523319 655901027 /nfs/dbraw/zinc/90/10/27/655901027.db2.gz ADJOIFQLIHWIHR-UHFFFAOYSA-N 0 0 384.186 2.979 20 5 GFBDRN O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1Br)NC1CCCC1 ZINC000756524315 655901246 /nfs/dbraw/zinc/90/12/46/655901246.db2.gz CQCJJJJGWNOSLF-UHFFFAOYSA-N 0 0 385.214 2.502 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000756807094 655905539 /nfs/dbraw/zinc/90/55/39/655905539.db2.gz HECPHPBOQGQWNA-UHFFFAOYSA-N 0 0 383.769 2.908 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1c(Cl)nc3sccn31)C2 ZINC000756985548 655908426 /nfs/dbraw/zinc/90/84/26/655908426.db2.gz ZOMXZNVXQJYFKP-UHFFFAOYSA-N 0 0 398.853 2.704 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000757347715 655910883 /nfs/dbraw/zinc/91/08/83/655910883.db2.gz HGBULZYRKGRBRS-UHFFFAOYSA-N 0 0 385.785 2.943 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)ccc1Cl ZINC000757486311 655912204 /nfs/dbraw/zinc/91/22/04/655912204.db2.gz MFOPTKVAIXZHKX-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN CN(Cc1ccco1)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757723430 655915804 /nfs/dbraw/zinc/91/58/04/655915804.db2.gz DBUJAZFEMCHQFM-UHFFFAOYSA-N 0 0 393.190 2.910 20 5 GFBDRN Nc1ccc(Cl)nc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000758458908 655933306 /nfs/dbraw/zinc/93/33/06/655933306.db2.gz GZGIUEHRNAJBFK-UHFFFAOYSA-N 0 0 385.163 2.674 20 5 GFBDRN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000758559711 655935792 /nfs/dbraw/zinc/93/57/92/655935792.db2.gz GCGLDOYLEPRNKW-LLVKDONJSA-N 0 0 385.214 2.819 20 5 GFBDRN C[C@@H](OC(=O)c1cncc(Cl)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000758659702 655938447 /nfs/dbraw/zinc/93/84/47/655938447.db2.gz NWNUGNFBJVMPPU-SSDOTTSWSA-N 0 0 385.163 2.876 20 5 GFBDRN CC(C)S(=O)(=O)CCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000758934047 655943458 /nfs/dbraw/zinc/94/34/58/655943458.db2.gz BDTSDILMKUQRLY-NSHDSACASA-N 0 0 393.845 2.772 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CC2(O)CCC2)cc1Br ZINC000758933322 655943517 /nfs/dbraw/zinc/94/35/17/655943517.db2.gz AZXCKRAGNFUSGU-UHFFFAOYSA-N 0 0 387.230 2.885 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Oc2cccc(F)c2C(N)=O)c1 ZINC000759119651 655948254 /nfs/dbraw/zinc/94/82/54/655948254.db2.gz HPZJZQOTBBUFQH-UHFFFAOYSA-N 0 0 388.760 2.562 20 5 GFBDRN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000759200358 655950494 /nfs/dbraw/zinc/95/04/94/655950494.db2.gz IWGCKFSZXNRZOO-BXKDBHETSA-N 0 0 385.214 2.771 20 5 GFBDRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1I ZINC000760189560 655971919 /nfs/dbraw/zinc/97/19/19/655971919.db2.gz CGJQQOZWPDDYCW-UHFFFAOYSA-N 0 0 399.144 2.855 20 5 GFBDRN O=C(OCc1cnc(Cl)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000760475603 655981970 /nfs/dbraw/zinc/98/19/70/655981970.db2.gz FEPGBOFFKXIPCO-UHFFFAOYSA-N 0 0 383.813 2.898 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000760615008 655988099 /nfs/dbraw/zinc/98/80/99/655988099.db2.gz AIODUHKOWQDDSJ-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000760710938 655990144 /nfs/dbraw/zinc/99/01/44/655990144.db2.gz GRFRVTVZUSDXSD-AWEZNQCLSA-N 0 0 387.223 2.728 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2F)ccc1Br ZINC000760852379 655993482 /nfs/dbraw/zinc/99/34/82/655993482.db2.gz ZJEPAEQEJSTAAW-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(F)(F)CC1 ZINC000761245117 656004946 /nfs/dbraw/zinc/00/49/46/656004946.db2.gz BIHUPBFBHSZWRI-UHFFFAOYSA-N 0 0 379.385 2.767 20 5 GFBDRN COc1cc(C(=O)OCCOc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000761318169 656010986 /nfs/dbraw/zinc/01/09/86/656010986.db2.gz LEISYVGAADZYMC-UHFFFAOYSA-N 0 0 397.181 2.997 20 5 GFBDRN C[C@H]1CC[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2I)O1 ZINC000762179528 656035424 /nfs/dbraw/zinc/03/54/24/656035424.db2.gz PCTPFPKLXZREQI-WPRPVWTQSA-N 0 0 391.161 2.924 20 5 GFBDRN O=C1O[C@@H](COc2ccc(I)cc2[N+](=O)[O-])CC12CC2 ZINC000762217076 656036474 /nfs/dbraw/zinc/03/64/74/656036474.db2.gz XGMHMDZQDADFIR-SECBINFHSA-N 0 0 389.145 2.674 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc[n+]3[O-])n2)c(Br)c1 ZINC000762261349 656037368 /nfs/dbraw/zinc/03/73/68/656037368.db2.gz MSVBWJSDIKSWPW-UHFFFAOYSA-N 0 0 377.154 2.632 20 5 GFBDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762547514 656047971 /nfs/dbraw/zinc/04/79/71/656047971.db2.gz DACHDLIYVSDULH-BYCMXARLSA-N 0 0 383.495 2.782 20 5 GFBDRN NC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000763610239 656088004 /nfs/dbraw/zinc/08/80/04/656088004.db2.gz GXXWGICZRYQCSZ-CYBMUJFWSA-N 0 0 379.166 2.741 20 5 GFBDRN COC(=O)[C@@H]1CSCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840976446 661223867 /nfs/dbraw/zinc/22/38/67/661223867.db2.gz FPBNOYOBRRIBKP-JTQLQIEISA-N 0 0 389.271 2.695 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1N=NC(=S)N1CC ZINC000764167739 656103586 /nfs/dbraw/zinc/10/35/86/656103586.db2.gz JYACEFYZIKBOFD-UHFFFAOYSA-N 0 0 381.483 2.579 20 5 GFBDRN CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000764502467 656112304 /nfs/dbraw/zinc/11/23/04/656112304.db2.gz HZTMOOZHFZJZGN-UHFFFAOYSA-N 0 0 382.360 2.509 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000764968208 656124582 /nfs/dbraw/zinc/12/45/82/656124582.db2.gz ABVCBZHOGDMUSJ-CQSZACIVSA-N 0 0 380.198 2.524 20 5 GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccc(Br)cc2C1 ZINC000765434269 656143037 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384.230 2.719 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000331696748 563558541 /nfs/dbraw/zinc/55/85/41/563558541.db2.gz ZIRFFTHHRFHCGS-ZDUSSCGKSA-N 0 0 384.845 2.990 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000431532892 563561776 /nfs/dbraw/zinc/56/17/76/563561776.db2.gz OZORTXSMGSQXAX-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000286491426 563561888 /nfs/dbraw/zinc/56/18/88/563561888.db2.gz QPDPGSAOHYWYHW-CQSZACIVSA-N 0 0 380.825 2.561 20 5 GFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286518732 563563381 /nfs/dbraw/zinc/56/33/81/563563381.db2.gz ZKRGQYXBMGMVAG-GFCCVEGCSA-N 0 0 376.316 2.531 20 5 GFBDRN O=C(NCC(F)(F)Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286600337 563566511 /nfs/dbraw/zinc/56/65/11/563566511.db2.gz FDDCCMLGMWGYKS-UHFFFAOYSA-N 0 0 392.200 2.915 20 5 GFBDRN Cc1cc(Br)cc2c1N(C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000332057477 563573743 /nfs/dbraw/zinc/57/37/43/563573743.db2.gz ONBUJOUUZABVSJ-UHFFFAOYSA-N 0 0 379.214 2.992 20 5 GFBDRN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2ccc(Br)cc2)cc1CO ZINC000432247529 563578073 /nfs/dbraw/zinc/57/80/73/563578073.db2.gz UFMBMWFFHLWVOG-ZDUSSCGKSA-N 0 0 398.209 2.668 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOc3c(Br)cccc32)n1 ZINC000410293679 563586261 /nfs/dbraw/zinc/58/62/61/563586261.db2.gz WRJYAJYNHAOYJE-LLVKDONJSA-N 0 0 395.213 2.827 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000432573385 563587154 /nfs/dbraw/zinc/58/71/54/563587154.db2.gz KVLUENIWWXRXHG-GFCCVEGCSA-N 0 0 386.495 2.604 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332247922 563587153 /nfs/dbraw/zinc/58/71/53/563587153.db2.gz QVIVFAWLUXOHFX-DMDPSCGWSA-N 0 0 383.242 2.899 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000332270939 563589150 /nfs/dbraw/zinc/58/91/50/563589150.db2.gz HPXCOMRQYIINOW-OCCSQVGLSA-N 0 0 390.458 2.791 20 5 GFBDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337602 563594367 /nfs/dbraw/zinc/59/43/67/563594367.db2.gz WELNLIYIOBBQQT-DFBGVHRSSA-N 0 0 399.241 2.766 20 5 GFBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCCN(Cc3cscn3)CC2)s1 ZINC000287826199 563619356 /nfs/dbraw/zinc/61/93/56/563619356.db2.gz KNAGVBPMWACQRZ-UHFFFAOYSA-N 0 0 376.467 2.768 20 5 GFBDRN Cc1c(NC(=O)N2CCSC[C@@H]2CO)cc(Br)cc1[N+](=O)[O-] ZINC000435330196 563648041 /nfs/dbraw/zinc/64/80/41/563648041.db2.gz SCXJNMRJYXGEBY-JTQLQIEISA-N 0 0 390.259 2.607 20 5 GFBDRN Cc1c(NC(=O)NCCc2cnccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435324981 563648252 /nfs/dbraw/zinc/64/82/52/563648252.db2.gz YGFILUKQMJCYBH-UHFFFAOYSA-N 0 0 380.202 2.820 20 5 GFBDRN COCC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000412466337 563659013 /nfs/dbraw/zinc/65/90/13/563659013.db2.gz DKABIBPNYQPABF-VIFPVBQESA-N 0 0 392.193 2.602 20 5 GFBDRN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1nncn1C ZINC000288924781 563662106 /nfs/dbraw/zinc/66/21/06/563662106.db2.gz VELXGAZQRGIQAO-GFCCVEGCSA-N 0 0 382.218 2.613 20 5 GFBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000289656538 563682146 /nfs/dbraw/zinc/68/21/46/563682146.db2.gz XQVAYVKORXYTGF-CYBMUJFWSA-N 0 0 390.221 2.792 20 5 GFBDRN CCCCSc1nnc(SC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000438785110 563710380 /nfs/dbraw/zinc/71/03/80/563710380.db2.gz LTCCOSHUKNHKOE-JTQLQIEISA-N 0 0 375.501 2.688 20 5 GFBDRN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Br)ccn1 ZINC000438812040 563711959 /nfs/dbraw/zinc/71/19/59/563711959.db2.gz FWSSRAMZKNAEIH-UHFFFAOYSA-N 0 0 394.181 2.705 20 5 GFBDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439110005 563717577 /nfs/dbraw/zinc/71/75/77/563717577.db2.gz HKXZWYAUMGSRKM-GWCFXTLKSA-N 0 0 385.873 2.986 20 5 GFBDRN COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290707955 563718239 /nfs/dbraw/zinc/71/82/39/563718239.db2.gz JETGRAYHIZQLHK-QMMMGPOBSA-N 0 0 397.236 2.618 20 5 GFBDRN CCc1nnc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000290688336 563718521 /nfs/dbraw/zinc/71/85/21/563718521.db2.gz JLUACESYXNQMOZ-UHFFFAOYSA-N 0 0 396.372 2.914 20 5 GFBDRN CCc1n[nH]c(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000440326107 563739456 /nfs/dbraw/zinc/73/94/56/563739456.db2.gz GGQSPNXLUYFKKR-SECBINFHSA-N 0 0 397.229 2.840 20 5 GFBDRN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000440400274 563740697 /nfs/dbraw/zinc/74/06/97/563740697.db2.gz VVHYEDHHMAVWGL-UHFFFAOYSA-N 0 0 378.142 2.587 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000364488610 563754484 /nfs/dbraw/zinc/75/44/84/563754484.db2.gz OIJSZHSVBNLIAH-ZIAGYGMSSA-N 0 0 397.225 2.568 20 5 GFBDRN COc1cc(C(C)=O)ccc1Sc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000441942786 563765819 /nfs/dbraw/zinc/76/58/19/563765819.db2.gz QWKJUOUFGUVLQF-UHFFFAOYSA-N 0 0 382.419 2.605 20 5 GFBDRN CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000292037091 563770720 /nfs/dbraw/zinc/77/07/20/563770720.db2.gz FKDRLGJKZXVRMW-LLVKDONJSA-N 0 0 393.259 2.545 20 5 GFBDRN CCC1(O)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000442830597 563781504 /nfs/dbraw/zinc/78/15/04/563781504.db2.gz ZBLPBRZVVDQPHL-UHFFFAOYSA-N 0 0 383.253 2.827 20 5 GFBDRN O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442916391 563784355 /nfs/dbraw/zinc/78/43/55/563784355.db2.gz XTMRZWYWVPUGLT-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292441671 563786203 /nfs/dbraw/zinc/78/62/03/563786203.db2.gz VKGVOXRRMIXUHQ-AAEUAGOBSA-N 0 0 385.207 2.895 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000292735766 563794728 /nfs/dbraw/zinc/79/47/28/563794728.db2.gz DUEUSHGDHZXRDZ-UHFFFAOYSA-N 0 0 386.235 2.986 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cnc(C(F)(F)F)s2)cc1 ZINC000444001951 563817576 /nfs/dbraw/zinc/81/75/76/563817576.db2.gz MGQFQIZQWCJKCG-UHFFFAOYSA-N 0 0 395.384 2.634 20 5 GFBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3cc(F)ccc3Cl)nc2c1 ZINC000443980892 563817657 /nfs/dbraw/zinc/81/76/57/563817657.db2.gz NTZBDCPSNWSCIB-UHFFFAOYSA-N 0 0 384.776 2.742 20 5 GFBDRN C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000294374131 563840482 /nfs/dbraw/zinc/84/04/82/563840482.db2.gz RROKQHZVHWZJTO-RTHLEPHNSA-N 0 0 375.194 2.777 20 5 GFBDRN Cc1cnn(C2CN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)C2)c1 ZINC000367367464 563841998 /nfs/dbraw/zinc/84/19/98/563841998.db2.gz KIOYPLWSYDWKAJ-UHFFFAOYSA-N 0 0 379.214 2.868 20 5 GFBDRN COc1cccc2c1C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000416551085 563846873 /nfs/dbraw/zinc/84/68/73/563846873.db2.gz SFULBGUNDPJPGH-LLVKDONJSA-N 0 0 382.825 2.703 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000445738747 563853753 /nfs/dbraw/zinc/85/37/53/563853753.db2.gz ALVGDRMKAVEMJA-UTLUCORTSA-N 0 0 393.259 2.544 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCS1 ZINC000447034772 563872605 /nfs/dbraw/zinc/87/26/05/563872605.db2.gz VGLMEKUPVYJBPL-LBPRGKRZSA-N 0 0 395.300 2.921 20 5 GFBDRN Cn1ccnc1[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000369367763 563893508 /nfs/dbraw/zinc/89/35/08/563893508.db2.gz CLRUQRANOGCEDO-NSHDSACASA-N 0 0 384.845 2.550 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3Br)c2)n1 ZINC000537930119 564178261 /nfs/dbraw/zinc/17/82/61/564178261.db2.gz ZPQXFWOEPZEBBM-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000538041573 564180653 /nfs/dbraw/zinc/18/06/53/564180653.db2.gz NNRQNWBLMKRPDJ-YMTOWFKASA-N 0 0 397.229 2.597 20 5 GFBDRN C[C@@]1(O)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000471077718 564185020 /nfs/dbraw/zinc/18/50/20/564185020.db2.gz GPQBYCISQPVUPR-OAHLLOKOSA-N 0 0 386.246 2.533 20 5 GFBDRN CS(=O)(=O)c1ccc(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000471293540 564192501 /nfs/dbraw/zinc/19/25/01/564192501.db2.gz ULVFWGCRAZATDC-UHFFFAOYSA-N 0 0 384.797 2.669 20 5 GFBDRN O=C(N[C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1I ZINC000563694462 564202415 /nfs/dbraw/zinc/20/24/15/564202415.db2.gz BCMAGFWGBOAOGC-KOLCDFICSA-N 0 0 378.141 2.820 20 5 GFBDRN COc1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000538882109 564203780 /nfs/dbraw/zinc/20/37/80/564203780.db2.gz HSDHAUBZMIZFPM-ZDUSSCGKSA-N 0 0 395.209 2.829 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(OC)c(Cl)c1 ZINC000472216505 564217121 /nfs/dbraw/zinc/21/71/21/564217121.db2.gz JHPVKSMLCGKTEP-ZDUSSCGKSA-N 0 0 384.797 2.962 20 5 GFBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000507162462 564219580 /nfs/dbraw/zinc/21/95/80/564219580.db2.gz NSXSRQYBIJLZQK-GFCCVEGCSA-N 0 0 394.181 2.712 20 5 GFBDRN C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000507661532 564237794 /nfs/dbraw/zinc/23/77/94/564237794.db2.gz SLGUQPSRJQEDHU-SECBINFHSA-N 0 0 398.188 2.536 20 5 GFBDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000540131097 564240156 /nfs/dbraw/zinc/24/01/56/564240156.db2.gz QGOHDVUBGZKPLR-UHFFFAOYSA-N 0 0 393.201 2.713 20 5 GFBDRN Cc1c(Br)c(N2CC[S@](=O)C(C)(C)CC2)ncc1[N+](=O)[O-] ZINC000450832275 564249465 /nfs/dbraw/zinc/24/94/65/564249465.db2.gz ULXHWFGXOGAENR-NRFANRHFSA-N 0 0 376.276 2.798 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000450890895 564254030 /nfs/dbraw/zinc/25/40/30/564254030.db2.gz XJOOJHGZCLLIJE-SECBINFHSA-N 0 0 390.234 2.638 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000450907928 564255337 /nfs/dbraw/zinc/25/53/37/564255337.db2.gz QVBYTSPCCNLBNV-UHFFFAOYSA-N 0 0 395.135 2.635 20 5 GFBDRN Cn1ccnc1[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450953593 564255856 /nfs/dbraw/zinc/25/58/56/564255856.db2.gz ZHBBMGYOCVTMSL-CABZTGNLSA-N 0 0 382.218 2.818 20 5 GFBDRN O=c1c(Br)cn(Cc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000541287621 564272457 /nfs/dbraw/zinc/27/24/57/564272457.db2.gz YYFXVFLFNXKYSG-UHFFFAOYSA-N 0 0 389.003 2.725 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000541286681 564272629 /nfs/dbraw/zinc/27/26/29/564272629.db2.gz PUXJXICMXPWWAD-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541491525 564280376 /nfs/dbraw/zinc/28/03/76/564280376.db2.gz PVPIHANJPQJHMK-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1NCCc1nnnn1-c1ccccc1 ZINC000509493245 564302318 /nfs/dbraw/zinc/30/23/18/564302318.db2.gz NVJJQIJFBUXZNF-UHFFFAOYSA-N 0 0 389.213 2.988 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccsc1Br ZINC000509496340 564302614 /nfs/dbraw/zinc/30/26/14/564302614.db2.gz RXDNWZJECSVENF-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542218720 564305203 /nfs/dbraw/zinc/30/52/03/564305203.db2.gz TZNHRKQFQJQISX-UWVGGRQHSA-N 0 0 386.246 2.617 20 5 GFBDRN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509587362 564305294 /nfs/dbraw/zinc/30/52/94/564305294.db2.gz KXEPRNWYBVRMLA-UHFFFAOYSA-N 0 0 386.436 2.589 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475433442 564308702 /nfs/dbraw/zinc/30/87/02/564308702.db2.gz IWRYGBYVTUUAST-OAHLLOKOSA-N 0 0 378.226 2.982 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1Br ZINC000542719018 564322558 /nfs/dbraw/zinc/32/25/58/564322558.db2.gz XGXSIBJWOQVUTG-SSDOTTSWSA-N 0 0 385.193 2.946 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000542748148 564324112 /nfs/dbraw/zinc/32/41/12/564324112.db2.gz BADDCAAXCZRAAP-CDEUHXGRSA-N 0 0 388.511 2.570 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000451658590 564336882 /nfs/dbraw/zinc/33/68/82/564336882.db2.gz BCTMFIZLNLUIPG-CQSZACIVSA-N 0 0 384.841 2.784 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000510692070 564343687 /nfs/dbraw/zinc/34/36/87/564343687.db2.gz YIWJMXQNPHHBLC-UWVGGRQHSA-N 0 0 388.193 2.611 20 5 GFBDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1[nH]ncc1[N+](=O)[O-] ZINC000543357874 564347445 /nfs/dbraw/zinc/34/74/45/564347445.db2.gz SDAJEPRSQSBESO-UHFFFAOYSA-N 0 0 378.186 2.534 20 5 GFBDRN Cc1nn(C)c(C)c1CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000543437058 564350353 /nfs/dbraw/zinc/35/03/53/564350353.db2.gz POAXCAIHZUWHEE-UHFFFAOYSA-N 0 0 382.262 2.878 20 5 GFBDRN CN(CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000476733267 564351743 /nfs/dbraw/zinc/35/17/43/564351743.db2.gz QYUZJVSKOAGVQJ-UHFFFAOYSA-N 0 0 379.791 2.672 20 5 GFBDRN CC(C)[C@H](CO)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000451858614 564359351 /nfs/dbraw/zinc/35/93/51/564359351.db2.gz RXNXDDMBRVQFAZ-FZMZJTMJSA-N 0 0 378.878 2.816 20 5 GFBDRN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CN1c1ccc(F)cc1 ZINC000543840777 564365547 /nfs/dbraw/zinc/36/55/47/564365547.db2.gz WNSDQWTZACXSIY-LBPRGKRZSA-N 0 0 381.161 2.719 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000511337723 564368467 /nfs/dbraw/zinc/36/84/67/564368467.db2.gz BLYLETQEZFPKCY-UHFFFAOYSA-N 0 0 391.181 2.688 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000544075964 564373437 /nfs/dbraw/zinc/37/34/37/564373437.db2.gz QGHFJCWDPISNGY-UHFFFAOYSA-N 0 0 386.246 2.666 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000451970416 564373984 /nfs/dbraw/zinc/37/39/84/564373984.db2.gz YCJOYPNCCDGRNK-DZGCQCFKSA-N 0 0 382.463 2.996 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544087414 564374569 /nfs/dbraw/zinc/37/45/69/564374569.db2.gz DVATYAOKMVDHKJ-ZDUSSCGKSA-N 0 0 386.495 2.792 20 5 GFBDRN COCC[C@@H](COC)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000567549825 564376543 /nfs/dbraw/zinc/37/65/43/564376543.db2.gz HIKHTZNTYGDQBD-NSHDSACASA-N 0 0 390.234 2.839 20 5 GFBDRN CC(C)(NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000567592917 564379042 /nfs/dbraw/zinc/37/90/42/564379042.db2.gz KDKNHHILTTUCAW-UHFFFAOYSA-N 0 0 383.857 2.921 20 5 GFBDRN COc1cc(Cl)c(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc1OC ZINC000477563043 564381210 /nfs/dbraw/zinc/38/12/10/564381210.db2.gz XWEBJZLKSYKTLZ-UHFFFAOYSA-N 0 0 387.175 2.963 20 5 GFBDRN Cc1cc(C(F)(F)F)nc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)n1 ZINC000544394968 564385078 /nfs/dbraw/zinc/38/50/78/564385078.db2.gz SMLAMFADJZLMGD-UHFFFAOYSA-N 0 0 379.092 2.625 20 5 GFBDRN COC(=O)C[C@@H]1CSCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000477936240 564390775 /nfs/dbraw/zinc/39/07/75/564390775.db2.gz PASBIZZDHARCLK-DGCLKSJQSA-N 0 0 384.479 2.583 20 5 GFBDRN COC(=O)C[C@@H]1CSCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000477936243 564391025 /nfs/dbraw/zinc/39/10/25/564391025.db2.gz PASBIZZDHARCLK-WCQYABFASA-N 0 0 384.479 2.583 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477994765 564392573 /nfs/dbraw/zinc/39/25/73/564392573.db2.gz WQMHYBVBQVGLPY-VXNVDRBHSA-N 0 0 383.227 2.682 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2[N+](=O)[O-])n1 ZINC000478022176 564393130 /nfs/dbraw/zinc/39/31/30/564393130.db2.gz HCTWYMXIQDMYLW-YABSGUDNSA-N 0 0 377.447 2.886 20 5 GFBDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000478113106 564395119 /nfs/dbraw/zinc/39/51/19/564395119.db2.gz JBTBWEAYOZKXHV-QMMMGPOBSA-N 0 0 385.193 2.591 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 ZINC000545300681 564415727 /nfs/dbraw/zinc/41/57/27/564415727.db2.gz AHJXQZJZFQOFFA-UHFFFAOYSA-N 0 0 399.241 2.769 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000478912900 564419027 /nfs/dbraw/zinc/41/90/27/564419027.db2.gz WAOZOOVJWYJTCT-ONGXEEELSA-N 0 0 382.360 2.955 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000545643235 564429776 /nfs/dbraw/zinc/42/97/76/564429776.db2.gz VUTLTHFWBYQQEL-UHFFFAOYSA-N 0 0 380.407 2.624 20 5 GFBDRN CO[C@H](c1noc(-c2c([N+](=O)[O-])cnn2C)n1)c1ccc(Br)cc1 ZINC000545810996 564432788 /nfs/dbraw/zinc/43/27/88/564432788.db2.gz OCVXWQXVXYUCEC-LBPRGKRZSA-N 0 0 394.185 2.877 20 5 GFBDRN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1F)Nc1cccc(Br)c1 ZINC000479410244 564439046 /nfs/dbraw/zinc/43/90/46/564439046.db2.gz OWFDMXHOSCDBQV-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN CNS(=O)(=O)c1csc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000546285508 564452275 /nfs/dbraw/zinc/45/22/75/564452275.db2.gz WZAWLQXKEBTDGH-UHFFFAOYSA-N 0 0 380.407 2.590 20 5 GFBDRN O=[N+]([O-])c1cnn(Cc2nc(CCc3ccccc3Br)no2)c1 ZINC000546458053 564456181 /nfs/dbraw/zinc/45/61/81/564456181.db2.gz XVBKZYIJXXSERS-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN Cn1c(CNc2ccc(I)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000546622761 564462914 /nfs/dbraw/zinc/46/29/14/564462914.db2.gz ATVXGWFTZVPPHF-UHFFFAOYSA-N 0 0 399.192 2.817 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546833298 564470900 /nfs/dbraw/zinc/47/09/00/564470900.db2.gz MVDWBSIBAQHHTF-SECBINFHSA-N 0 0 391.225 2.922 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000480425854 564472881 /nfs/dbraw/zinc/47/28/81/564472881.db2.gz LCQLPPOZGDAMHZ-CBAPKCEASA-N 0 0 386.323 2.704 20 5 GFBDRN Cn1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cc1=O ZINC000547157020 564478555 /nfs/dbraw/zinc/47/85/55/564478555.db2.gz QHMRZHTZTVFKGT-UHFFFAOYSA-N 0 0 391.181 2.697 20 5 GFBDRN Cc1c(Cc2noc(Cn3cc(Br)cn3)n2)cccc1[N+](=O)[O-] ZINC000547193159 564479607 /nfs/dbraw/zinc/47/96/07/564479607.db2.gz QGNOUSDGTXHIOX-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000515715010 564485726 /nfs/dbraw/zinc/48/57/26/564485726.db2.gz BBHVAAFRPWUKTR-LLVKDONJSA-N 0 0 382.360 2.635 20 5 GFBDRN CC(C)OC(=O)CC[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480738886 564486173 /nfs/dbraw/zinc/48/61/73/564486173.db2.gz IATFVTGYXVVYSS-SNVBAGLBSA-N 0 0 378.834 2.647 20 5 GFBDRN Cc1noc([C@H](C)N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000570174094 564494300 /nfs/dbraw/zinc/49/43/00/564494300.db2.gz QXMNCXMYDUJKLF-QMMMGPOBSA-N 0 0 383.202 2.811 20 5 GFBDRN C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000454066606 564495030 /nfs/dbraw/zinc/49/50/30/564495030.db2.gz ONUCFNHETTYWPN-VIFPVBQESA-N 0 0 384.230 2.991 20 5 GFBDRN Cc1c(Br)c(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)ncc1[N+](=O)[O-] ZINC000481127984 564504198 /nfs/dbraw/zinc/50/41/98/564504198.db2.gz ZTCWMBSQQNXINU-BMIGLBTASA-N 0 0 386.246 2.835 20 5 GFBDRN Nc1c(C(=O)NCCOc2cccc(Br)c2)cc(F)cc1[N+](=O)[O-] ZINC000516545804 564505278 /nfs/dbraw/zinc/50/52/78/564505278.db2.gz RJORCTZEHQJDLJ-UHFFFAOYSA-N 0 0 398.188 2.887 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)NCc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000454598984 564516122 /nfs/dbraw/zinc/51/61/22/564516122.db2.gz GBPBCNVWLWLJJJ-SNVBAGLBSA-N 0 0 396.245 2.960 20 5 GFBDRN CCNC(=O)C(C)(C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455349139 564549789 /nfs/dbraw/zinc/54/97/89/564549789.db2.gz FEFFTHXBUAUJFF-UHFFFAOYSA-N 0 0 387.234 2.702 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000571438665 564551819 /nfs/dbraw/zinc/55/18/19/564551819.db2.gz ZJDWQBYHOIVVLU-INIZCTEOSA-N 0 0 382.463 2.981 20 5 GFBDRN CON1CCC(N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000455406283 564552858 /nfs/dbraw/zinc/55/28/58/564552858.db2.gz VFHNYFQUZHKEBD-UHFFFAOYSA-N 0 0 387.234 2.847 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H]1C ZINC000571651014 564560466 /nfs/dbraw/zinc/56/04/66/564560466.db2.gz ZOEJVAGLGBPHQZ-GXSJLCMTSA-N 0 0 385.214 2.689 20 5 GFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Oc1ccccc1Br ZINC000483316410 564563734 /nfs/dbraw/zinc/56/37/34/564563734.db2.gz PAPMXOXWJTYDCY-SECBINFHSA-N 0 0 396.197 2.655 20 5 GFBDRN C[C@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000571961855 564574414 /nfs/dbraw/zinc/57/44/14/564574414.db2.gz PQDQXSLXSQYKLF-UWVGGRQHSA-N 0 0 376.194 2.809 20 5 GFBDRN CC(C)(CO)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000572168277 564583245 /nfs/dbraw/zinc/58/32/45/564583245.db2.gz OPZCCZZNISKYEZ-GFCCVEGCSA-N 0 0 376.481 2.756 20 5 GFBDRN CCOC1CC(O)(CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000549181636 564586728 /nfs/dbraw/zinc/58/67/28/564586728.db2.gz BZBBPZSRDSANES-UHFFFAOYSA-N 0 0 392.193 2.541 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)n1 ZINC000456261365 564597441 /nfs/dbraw/zinc/59/74/41/564597441.db2.gz CUTCUQIFLUFDFA-JTQLQIEISA-N 0 0 383.177 2.647 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2Cc3cnn(-c4ccccc4)c3C2)s1 ZINC000549639847 564601570 /nfs/dbraw/zinc/60/15/70/564601570.db2.gz BIOFIMOXHSPHDG-UHFFFAOYSA-N 0 0 376.419 2.547 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456348521 564601607 /nfs/dbraw/zinc/60/16/07/564601607.db2.gz ZHVAUUNPUDOXFL-NTZNESFSSA-N 0 0 383.242 2.980 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000520628126 564608831 /nfs/dbraw/zinc/60/88/31/564608831.db2.gz LBVYKTHLKAPOBV-QMMMGPOBSA-N 0 0 381.186 2.647 20 5 GFBDRN CN(C)C(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccn1 ZINC000485549000 564619624 /nfs/dbraw/zinc/61/96/24/564619624.db2.gz QXGVBEDSBYKHDC-UHFFFAOYSA-N 0 0 399.226 2.768 20 5 GFBDRN Cn1c(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000485814971 564626158 /nfs/dbraw/zinc/62/61/58/564626158.db2.gz HOMQKRQMWSZSLE-GFCCVEGCSA-N 0 0 393.241 2.705 20 5 GFBDRN CNC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000485808732 564626492 /nfs/dbraw/zinc/62/64/92/564626492.db2.gz DBOZRVRAORSDHM-UHFFFAOYSA-N 0 0 380.813 2.734 20 5 GFBDRN Cc1c(Br)cccc1-c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000485843889 564627230 /nfs/dbraw/zinc/62/72/30/564627230.db2.gz FFTGVMJFCLYYHD-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN CCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000521505795 564629639 /nfs/dbraw/zinc/62/96/39/564629639.db2.gz JJKNHAKQNUHHMN-UHFFFAOYSA-N 0 0 383.813 2.710 20 5 GFBDRN CC[C@H](CC(F)F)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000457439192 564661691 /nfs/dbraw/zinc/66/16/91/564661691.db2.gz JWRAXMXBFQFQBU-SNVBAGLBSA-N 0 0 375.397 2.622 20 5 GFBDRN 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/nfs/dbraw/zinc/97/13/86/564971386.db2.gz AKHJFFNMLYQJBV-NOZJJQNGSA-N 0 0 388.218 2.625 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Br)cc2C1 ZINC000560755300 564974987 /nfs/dbraw/zinc/97/49/87/564974987.db2.gz FACIYDPJXYQRKV-UHFFFAOYSA-N 0 0 377.198 2.533 20 5 GFBDRN CC(C)(C)c1nc(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)cs1 ZINC000534282449 564984347 /nfs/dbraw/zinc/98/43/47/564984347.db2.gz WOOYMEVFPLXYQX-UHFFFAOYSA-N 0 0 384.483 2.651 20 5 GFBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000534436281 564989316 /nfs/dbraw/zinc/98/93/16/564989316.db2.gz HZTJSFBHLBHXET-SNVBAGLBSA-N 0 0 379.214 2.721 20 5 GFBDRN CC(C)c1noc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000501967692 564989562 /nfs/dbraw/zinc/98/95/62/564989562.db2.gz RVSXWNPCCQSABT-UHFFFAOYSA-N 0 0 385.174 2.881 20 5 GFBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cc[nH]c(=O)c1 ZINC000502208465 564994012 /nfs/dbraw/zinc/99/40/12/564994012.db2.gz NGSJQOULPBJGOF-VIFPVBQESA-N 0 0 380.198 2.878 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000535008800 565002319 /nfs/dbraw/zinc/00/23/19/565002319.db2.gz PZDMPXQDEKRRLS-DGCLKSJQSA-N 0 0 386.495 2.792 20 5 GFBDRN CN1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000535266625 565009973 /nfs/dbraw/zinc/00/99/73/565009973.db2.gz YPTRABFBWZGDJX-CQSZACIVSA-N 0 0 381.841 2.713 20 5 GFBDRN CCC1CCC(N(CCO)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000562008025 565015537 /nfs/dbraw/zinc/01/55/37/565015537.db2.gz JJJJJZOVGDNLRH-UHFFFAOYSA-N 0 0 376.500 2.917 20 5 GFBDRN CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000536325376 565034448 /nfs/dbraw/zinc/03/44/48/565034448.db2.gz PAHUMLGQNCRQNR-SECBINFHSA-N 0 0 378.834 2.567 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(Br)c1F ZINC000470014172 565035534 /nfs/dbraw/zinc/03/55/34/565035534.db2.gz VVMRLVFUGIDTRO-UHFFFAOYSA-N 0 0 386.133 2.863 20 5 GFBDRN O=C(N[C@@H]1CCOc2c(Br)cccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000504333382 565038058 /nfs/dbraw/zinc/03/80/58/565038058.db2.gz ZUNRGUMLIYDTRH-LLVKDONJSA-N 0 0 394.181 2.712 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCOc2c(Br)cccc21 ZINC000504635492 565042259 /nfs/dbraw/zinc/04/22/59/565042259.db2.gz LMVHTTCUWXUHEP-NSHDSACASA-N 0 0 393.197 2.820 20 5 GFBDRN C[C@@H]1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000536607731 565042753 /nfs/dbraw/zinc/04/27/53/565042753.db2.gz JCWLBVNHZOSHCR-RKDXNWHRSA-N 0 0 393.259 2.592 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000536651087 565043467 /nfs/dbraw/zinc/04/34/67/565043467.db2.gz CDFZHCWIBWEMQM-SNVBAGLBSA-N 0 0 384.219 2.878 20 5 GFBDRN Cc1cccc(C[C@H](CO)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000470463043 565048060 /nfs/dbraw/zinc/04/80/60/565048060.db2.gz DSFNDNPMOJQBDE-CQSZACIVSA-N 0 0 393.237 2.999 20 5 GFBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000470748780 565054860 /nfs/dbraw/zinc/05/48/60/565054860.db2.gz YXWYDVMCGODMJP-LBPRGKRZSA-N 0 0 381.230 2.691 20 5 GFBDRN O=C(CCNC(=O)c1cccs1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537591962 565059790 /nfs/dbraw/zinc/05/97/90/565059790.db2.gz IXLCGEQBWLXZER-UHFFFAOYSA-N 0 0 381.841 2.789 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(C)(C)C ZINC000585699473 565105765 /nfs/dbraw/zinc/10/57/65/565105765.db2.gz LYWFENILHUTVTJ-LBPRGKRZSA-N 0 0 387.230 2.983 20 5 GFBDRN C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000585759478 565108833 /nfs/dbraw/zinc/10/88/33/565108833.db2.gz AWXKKBZTOYZQPU-PELKAZGASA-N 0 0 388.193 2.502 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCC2(F)F)c(S(=O)(=O)N2CCCC2)c1 ZINC000588040034 565123529 /nfs/dbraw/zinc/12/35/29/565123529.db2.gz FLKLSDAJDOBQJA-AWEZNQCLSA-N 0 0 375.397 2.979 20 5 GFBDRN Cc1ccnc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000590167614 565179807 /nfs/dbraw/zinc/17/98/07/565179807.db2.gz ATTNOXCQFYWESJ-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN O=C(Nc1ncc(CCO)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590371966 565186183 /nfs/dbraw/zinc/18/61/83/565186183.db2.gz GSHNFNJJEKZPMO-UHFFFAOYSA-N 0 0 376.419 2.962 20 5 GFBDRN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000590430733 565188119 /nfs/dbraw/zinc/18/81/19/565188119.db2.gz MPCLTTWOTUFVEO-JMCQJSRRSA-N 0 0 397.147 2.933 20 5 GFBDRN COC(=O)c1ccnc(NCCc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000590574725 565192858 /nfs/dbraw/zinc/19/28/58/565192858.db2.gz KNRHWKVWBXOEPO-UHFFFAOYSA-N 0 0 386.227 2.677 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000591325881 565224186 /nfs/dbraw/zinc/22/41/86/565224186.db2.gz MBYCTYPWABRURU-MFKMUULPSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(F)F ZINC000592067834 565251738 /nfs/dbraw/zinc/25/17/38/565251738.db2.gz VBSDEOFZMXWKSF-SSDOTTSWSA-N 0 0 387.202 2.927 20 5 GFBDRN CC[C@@H](C)C[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592083886 565254599 /nfs/dbraw/zinc/25/45/99/565254599.db2.gz RHERQMFMDXLKJO-KOLCDFICSA-N 0 0 384.376 2.689 20 5 GFBDRN CSc1nnc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000618473054 565301819 /nfs/dbraw/zinc/30/18/19/565301819.db2.gz BOUKRKWXWZSHFB-UHFFFAOYSA-N 0 0 395.285 2.922 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000619491202 565344742 /nfs/dbraw/zinc/34/47/42/565344742.db2.gz RPASUTIQTJITKF-LLVKDONJSA-N 0 0 384.797 2.669 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593626477 565348822 /nfs/dbraw/zinc/34/88/22/565348822.db2.gz ACQZLHOUSULANI-UHFFFAOYSA-N 0 0 386.298 2.789 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000593626690 565349779 /nfs/dbraw/zinc/34/97/79/565349779.db2.gz GSFHLTLOFDGFSN-UHFFFAOYSA-N 0 0 382.335 2.958 20 5 GFBDRN Nc1nc(N2CCC(c3cccc(Br)c3)CC2)ncc1[N+](=O)[O-] ZINC000619590268 565350687 /nfs/dbraw/zinc/35/06/87/565350687.db2.gz GYOGPDGXLYCVTD-UHFFFAOYSA-N 0 0 378.230 2.944 20 5 GFBDRN Cc1ccncc1N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000619589532 565350695 /nfs/dbraw/zinc/35/06/95/565350695.db2.gz TYQBXIPXFKKSMK-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000619786354 565358484 /nfs/dbraw/zinc/35/84/84/565358484.db2.gz XRRPGGSBKMKUNU-UHFFFAOYSA-N 0 0 390.197 2.760 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2cc3n(n2)CCCO3)cc1[N+](=O)[O-] ZINC000594361117 565381786 /nfs/dbraw/zinc/38/17/86/565381786.db2.gz XMXUARLXWQXLJN-UHFFFAOYSA-N 0 0 395.213 2.575 20 5 GFBDRN CCN(c1cnn(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594467004 565391196 /nfs/dbraw/zinc/39/11/96/565391196.db2.gz UFLZPXXHPMFFDF-UHFFFAOYSA-N 0 0 378.332 2.562 20 5 GFBDRN Cc1cnc(OC2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)nc1 ZINC000594592235 565401691 /nfs/dbraw/zinc/40/16/91/565401691.db2.gz RROHVNJIJUALBD-UHFFFAOYSA-N 0 0 394.229 2.899 20 5 GFBDRN CCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594792627 565421114 /nfs/dbraw/zinc/42/11/14/565421114.db2.gz POIYJAIYADVKOE-JTQLQIEISA-N 0 0 392.861 2.989 20 5 GFBDRN CC(C)(C)OCCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594848562 565429570 /nfs/dbraw/zinc/42/95/70/565429570.db2.gz FQTBLBIMDBFUPK-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)s1 ZINC000594868999 565432832 /nfs/dbraw/zinc/43/28/32/565432832.db2.gz RMTBXJNSKRNTHA-GFCCVEGCSA-N 0 0 390.389 2.697 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595399347 565473727 /nfs/dbraw/zinc/47/37/27/565473727.db2.gz VPKOBTATILEVMV-GHMZBOCLSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000595414075 565475663 /nfs/dbraw/zinc/47/56/63/565475663.db2.gz AHNYEJITFQHZPL-NHYWBVRUSA-N 0 0 378.397 2.645 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884136 565496875 /nfs/dbraw/zinc/49/68/75/565496875.db2.gz GRPOPWWKFMTDEB-NSHDSACASA-N 0 0 381.479 2.731 20 5 GFBDRN Nc1ccc(N2CCO[C@@H](c3ccc(Br)cc3)C2)nc1[N+](=O)[O-] ZINC000596091137 565512683 /nfs/dbraw/zinc/51/26/83/565512683.db2.gz WBQAOUYJXQSOGJ-CYBMUJFWSA-N 0 0 379.214 2.912 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[C@@H]1C(F)F ZINC000596249040 565516308 /nfs/dbraw/zinc/51/63/08/565516308.db2.gz PIHBOSSYDWMDLC-CYBMUJFWSA-N 0 0 375.397 2.613 20 5 GFBDRN COC(=O)c1c(Cl)c(N2CCN3CC(F)(F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596285943 565518246 /nfs/dbraw/zinc/51/82/46/565518246.db2.gz PXOIRSCZYJARAG-VIFPVBQESA-N 0 0 375.759 2.564 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1COCC1(C)C ZINC000597620373 565567710 /nfs/dbraw/zinc/56/77/10/565567710.db2.gz QBVBFCFWJRTOEG-UHFFFAOYSA-N 0 0 390.177 2.716 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000597999351 565588396 /nfs/dbraw/zinc/58/83/96/565588396.db2.gz UBRFHRFUAFHECL-UHFFFAOYSA-N 0 0 384.223 2.598 20 5 GFBDRN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1cscn1 ZINC000598014111 565588413 /nfs/dbraw/zinc/58/84/13/565588413.db2.gz DAXOGSQTEPKPJX-MWLCHTKSSA-N 0 0 380.451 2.595 20 5 GFBDRN CCOC(=O)C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000598042007 565590897 /nfs/dbraw/zinc/59/08/97/565590897.db2.gz DDUQAYRXRWSPMS-LLVKDONJSA-N 0 0 380.344 2.687 20 5 GFBDRN CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000598190460 565600799 /nfs/dbraw/zinc/60/07/99/565600799.db2.gz INOHUNXPRSEYCW-ZDUSSCGKSA-N 0 0 387.223 2.680 20 5 GFBDRN C[C@@H](O)C1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000598383609 565611857 /nfs/dbraw/zinc/61/18/57/565611857.db2.gz HRONOUDGEHTYNR-MRVPVSSYSA-N 0 0 385.207 2.731 20 5 GFBDRN CNc1nccc(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598422993 565615044 /nfs/dbraw/zinc/61/50/44/565615044.db2.gz INWFWRFUKNTQKN-CYBMUJFWSA-N 0 0 391.225 2.803 20 5 GFBDRN CNc1nccc(C(=O)N2CC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598422994 565615054 /nfs/dbraw/zinc/61/50/54/565615054.db2.gz INWFWRFUKNTQKN-ZDUSSCGKSA-N 0 0 391.225 2.803 20 5 GFBDRN C[C@@]1(C(F)F)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598573188 565627471 /nfs/dbraw/zinc/62/74/71/565627471.db2.gz QDZVCQMRFDQFAC-HNNXBMFYSA-N 0 0 378.759 2.900 20 5 GFBDRN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598753451 565640515 /nfs/dbraw/zinc/64/05/15/565640515.db2.gz IPDZUINCSKZBHR-ULCYMTDVSA-N 0 0 376.381 2.616 20 5 GFBDRN COCCC1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000599121316 565658001 /nfs/dbraw/zinc/65/80/01/565658001.db2.gz ULEYUOAIMOIWCZ-UHFFFAOYSA-N 0 0 391.209 2.847 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)n1 ZINC000599307605 565668710 /nfs/dbraw/zinc/66/87/10/565668710.db2.gz LKJXLSRGAARVCV-UHFFFAOYSA-N 0 0 384.845 2.583 20 5 GFBDRN CCC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OCC ZINC000599367991 565672927 /nfs/dbraw/zinc/67/29/27/565672927.db2.gz QFFNCCYGOOBTTD-LLVKDONJSA-N 0 0 395.275 2.841 20 5 GFBDRN COC(=O)[C@H]1CC12CCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000599499273 565685711 /nfs/dbraw/zinc/68/57/11/565685711.db2.gz ZFNFCWUZGYQDJA-SNVBAGLBSA-N 0 0 397.225 2.773 20 5 GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632037 565693842 /nfs/dbraw/zinc/69/38/42/565693842.db2.gz RAOFRCITDIVLLT-ZOZZVAHGSA-N 0 0 385.873 2.561 20 5 GFBDRN COC(=O)c1cnc(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 ZINC000600275393 565720868 /nfs/dbraw/zinc/72/08/68/565720868.db2.gz CFIHKWUXGVLOCP-UHFFFAOYSA-N 0 0 381.435 2.919 20 5 GFBDRN C[C@@H](SCCC(N)=O)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000600613457 565738319 /nfs/dbraw/zinc/73/83/19/565738319.db2.gz YYCGHPFXLZLBNH-SECBINFHSA-N 0 0 380.451 2.654 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000601105853 565767029 /nfs/dbraw/zinc/76/70/29/565767029.db2.gz OTRXKUNVZPIIRL-ZETCQYMHSA-N 0 0 375.273 2.643 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Sc1nc2sccc2c(=O)n1C ZINC000601100266 565767398 /nfs/dbraw/zinc/76/73/98/565767398.db2.gz JQMPKHWTTBWWBU-UHFFFAOYSA-N 0 0 391.356 2.807 20 5 GFBDRN 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COCCN(Cc1cc(Br)cs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602636703 565859798 /nfs/dbraw/zinc/85/97/98/565859798.db2.gz ZCCQHDUWIXXNJG-UHFFFAOYSA-N 0 0 389.275 2.801 20 5 GFBDRN CC[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)S1(=O)=O ZINC000602651894 565860629 /nfs/dbraw/zinc/86/06/29/565860629.db2.gz AFVOWMDSYVZEIN-WPRPVWTQSA-N 0 0 397.316 2.816 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCO[C@]3(CCCOC3)C2)cc1Br ZINC000602652328 565860831 /nfs/dbraw/zinc/86/08/31/565860831.db2.gz WYXDZFGUCJBSEI-CYBMUJFWSA-N 0 0 377.260 2.800 20 5 GFBDRN CC(C)N(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCC(=O)N1 ZINC000602695038 565863921 /nfs/dbraw/zinc/86/39/21/565863921.db2.gz VRBCGMXSRGKEFC-VIFPVBQESA-N 0 0 376.276 2.908 20 5 GFBDRN Cn1nccc1[C@@H]1COCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602703721 565864292 /nfs/dbraw/zinc/86/42/92/565864292.db2.gz CIGMSJKREWPXEM-LBPRGKRZSA-N 0 0 387.259 2.726 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000603958519 565920827 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C[C@H]1C[C@H]1c1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH][nH]1 ZINC000610673560 566092275 /nfs/dbraw/zinc/09/22/75/566092275.db2.gz DTHVPDLBBHVADU-GZMMTYOYSA-N 0 0 379.214 2.807 20 5 GFBDRN C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021682 566111571 /nfs/dbraw/zinc/11/15/71/566111571.db2.gz AZEKZUYKGNUGPH-BXUZGUMPSA-N 0 0 384.841 2.691 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000611469331 566131127 /nfs/dbraw/zinc/13/11/27/566131127.db2.gz JXMBSARDVYXTFO-TVQRCGJNSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611586986 566138244 /nfs/dbraw/zinc/13/82/44/566138244.db2.gz SISPCLFEJTXKPC-SECBINFHSA-N 0 0 384.788 2.949 20 5 GFBDRN COCCOCc1cccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000611918956 566144158 /nfs/dbraw/zinc/14/41/58/566144158.db2.gz AWNYGGYSENKAPE-UHFFFAOYSA-N 0 0 386.451 2.966 20 5 GFBDRN COC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000611883516 566144463 /nfs/dbraw/zinc/14/44/63/566144463.db2.gz VYMCPVTZDVUUSS-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1c(Br)c(N2CCCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000612438322 566162503 /nfs/dbraw/zinc/16/25/03/566162503.db2.gz MMIPDXLQWPHSJH-CYBMUJFWSA-N 0 0 399.289 2.752 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCCc3c2cnn3CCO)ncc1[N+](=O)[O-] ZINC000612438453 566162824 /nfs/dbraw/zinc/16/28/24/566162824.db2.gz MOAHWOYAFFOTPY-LLVKDONJSA-N 0 0 396.245 2.739 20 5 GFBDRN Cc1c(Br)c(NCc2ccc([S@](C)=O)cc2)ncc1[N+](=O)[O-] ZINC000612447063 566163187 /nfs/dbraw/zinc/16/31/87/566163187.db2.gz YAILPPRTDBAUMJ-QFIPXVFZSA-N 0 0 384.255 2.832 20 5 GFBDRN O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737980421 598862027 /nfs/dbraw/zinc/86/20/27/598862027.db2.gz FCWFCEMWAQRVHF-UHFFFAOYSA-N 0 0 375.348 2.521 20 5 GFBDRN CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821165387 599053320 /nfs/dbraw/zinc/05/33/20/599053320.db2.gz QNUGOAHKSYLHJG-UHFFFAOYSA-N 0 0 395.423 2.857 20 5 GFBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000737959839 599207492 /nfs/dbraw/zinc/20/74/92/599207492.db2.gz CDNBRMLCEROFTL-GOSISDBHSA-N 0 0 396.432 2.592 20 5 GFBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1ccc(-c2nn[nH]n2)cc1 ZINC000738383954 599223177 /nfs/dbraw/zinc/22/31/77/599223177.db2.gz YDVRCAKZEFPJKD-UHFFFAOYSA-N 0 0 398.404 2.865 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000736486986 599275589 /nfs/dbraw/zinc/27/55/89/599275589.db2.gz ALCSRHQFYBFPNZ-UHFFFAOYSA-N 0 0 397.395 2.614 20 5 GFBDRN CCCN(CC(=O)Nc1ccccc1C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821088430 607328264 /nfs/dbraw/zinc/32/82/64/607328264.db2.gz NPHNKIVUDJADQJ-UHFFFAOYSA-N 0 0 395.423 2.938 20 5 GFBDRN Cc1c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000737220026 598576567 /nfs/dbraw/zinc/57/65/67/598576567.db2.gz VBCKWEAZSRFHKU-KRWDZBQOSA-N 0 0 393.407 2.691 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nn[nH]n2)c1 ZINC000738370924 598613582 /nfs/dbraw/zinc/61/35/82/598613582.db2.gz SNVOQJJENCHPEL-CQSZACIVSA-N 0 0 380.364 2.845 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[nH]n2)c1 ZINC000738375364 598679027 /nfs/dbraw/zinc/67/90/27/598679027.db2.gz YWVYCXOXXWEUDF-LBPRGKRZSA-N 0 0 396.194 2.622 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738235401 598710208 /nfs/dbraw/zinc/71/02/08/598710208.db2.gz LDERNWYFMMQWSR-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737372221 598808775 /nfs/dbraw/zinc/80/87/75/598808775.db2.gz BICZCRSZADVPMT-UHFFFAOYSA-N 0 0 390.363 2.521 20 5 GFBDRN COc1ccc(OC)c(CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C2CC2)c1 ZINC000737108748 598814806 /nfs/dbraw/zinc/81/48/06/598814806.db2.gz BIJUGKGHLPVFTR-UHFFFAOYSA-N 0 0 396.407 2.961 20 5 GFBDRN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736742567 599305299 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Cc1nnc(CN(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000851872682 661841783 /nfs/dbraw/zinc/84/17/83/661841783.db2.gz IUDGXUYXJFFUDI-UHFFFAOYSA-N 0 0 397.265 2.882 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000851897477 661844891 /nfs/dbraw/zinc/84/48/91/661844891.db2.gz PEUJJQAEZXFQNY-LKFCYVNXSA-N 0 0 398.815 2.990 20 5 GFBDRN CCOc1cc(CN2CCn3ncc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000852625590 661868798 /nfs/dbraw/zinc/86/87/98/661868798.db2.gz XLFHAGQTKOPBGW-UHFFFAOYSA-N 0 0 381.230 2.968 20 5 GFBDRN Cc1nn(CN2CCOC[C@H]2c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000853561804 661892679 /nfs/dbraw/zinc/89/26/79/661892679.db2.gz ROFIAPCWBKPJJM-HNNXBMFYSA-N 0 0 381.230 2.893 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc(CO)c(F)cn1)CC2 ZINC000853585848 661893629 /nfs/dbraw/zinc/89/36/29/661893629.db2.gz UXLILUGBMOEOBG-UHFFFAOYSA-N 0 0 382.189 2.946 20 5 GFBDRN Cc1cc(NCCS(=O)(=O)CC(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000853816212 661902370 /nfs/dbraw/zinc/90/23/70/661902370.db2.gz PEXZUTYHIRXOGP-UHFFFAOYSA-N 0 0 377.344 2.840 20 5 GFBDRN CCOC1(C(=O)OCc2cccc([N+](=O)[O-])c2Br)CCOCC1 ZINC000853950211 661908812 /nfs/dbraw/zinc/90/88/12/661908812.db2.gz ZRLDDMDZAYYWKS-UHFFFAOYSA-N 0 0 388.214 2.986 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)cc1[N+](=O)[O-] ZINC000855153490 661972983 /nfs/dbraw/zinc/97/29/83/661972983.db2.gz ZYJKYPSJBLKLGD-UHFFFAOYSA-N 0 0 394.225 2.676 20 5 GFBDRN CC(C)(C)c1ccc(C(=O)NCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000855280045 661982366 /nfs/dbraw/zinc/98/23/66/661982366.db2.gz PYOBQGWTYAGDBB-RUZDIDTESA-N 0 0 380.388 2.933 20 5 GFBDRN O=C(NC[C@H](CO)CC1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000855915913 662012383 /nfs/dbraw/zinc/01/23/83/662012383.db2.gz JNAYXOCWJYZNAU-SECBINFHSA-N 0 0 375.194 2.635 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000856737173 662040125 /nfs/dbraw/zinc/04/01/25/662040125.db2.gz UBVXPKJCODTFPM-AWEZNQCLSA-N 0 0 384.841 2.877 20 5 GFBDRN CN(Cc1ncnn1CC(F)F)c1cccc(Br)c1[N+](=O)[O-] ZINC000856747393 662040869 /nfs/dbraw/zinc/04/08/69/662040869.db2.gz OURCEUPHKLQEAB-UHFFFAOYSA-N 0 0 376.161 2.850 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)ccc1Br ZINC000856747401 662040870 /nfs/dbraw/zinc/04/08/70/662040870.db2.gz ICTLUZJZCJQWQQ-ZETCQYMHSA-N 0 0 385.186 2.681 20 5 GFBDRN CN(OCC(F)(F)F)C(=O)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000856803383 662044780 /nfs/dbraw/zinc/04/47/80/662044780.db2.gz DGZOMVCEMXGGJI-UHFFFAOYSA-N 0 0 386.124 2.722 20 5 GFBDRN COC[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000857638408 662084730 /nfs/dbraw/zinc/08/47/30/662084730.db2.gz VMEAGKRDLMFNKQ-CYBMUJFWSA-N 0 0 387.230 2.529 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1cnn(CCF)c1 ZINC000858718600 662119977 /nfs/dbraw/zinc/11/99/77/662119977.db2.gz SPDDMLZDABQEIE-UHFFFAOYSA-N 0 0 382.295 2.798 20 5 GFBDRN CC1(C)OC[C@H]2C[C@]21NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859291824 662150438 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COC(=O)[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)C ZINC000865906963 662450632 /nfs/dbraw/zinc/45/06/32/662450632.db2.gz LLGASHKHQHOQBU-CYBMUJFWSA-N 0 0 387.230 2.604 20 5 GFBDRN CC1(C)[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000866034029 662457830 /nfs/dbraw/zinc/45/78/30/662457830.db2.gz IAHKFOURXLTXGW-COLVAYQJSA-N 0 0 383.242 2.830 20 5 GFBDRN CCC(CC)(NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC ZINC000866165987 662462831 /nfs/dbraw/zinc/46/28/31/662462831.db2.gz NFBKIKGJHLVWGV-UHFFFAOYSA-N 0 0 387.230 2.748 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H]2CSC[C@H]2C1 ZINC000866203768 662464403 /nfs/dbraw/zinc/46/44/03/662464403.db2.gz RHJFHKTWWFKTHJ-VHSXEESVSA-N 0 0 378.422 2.780 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]2COCC[C@@H]21 ZINC000866503792 662477634 /nfs/dbraw/zinc/47/76/34/662477634.db2.gz XFKGVUVUJZQFBU-JSGCOSHPSA-N 0 0 383.242 2.927 20 5 GFBDRN C[C@H](NCc1c(I)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000866630584 662485616 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CCOC(=O)[C@@H](F)C1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877551073 662878779 /nfs/dbraw/zinc/87/87/79/662878779.db2.gz VLBPJSAYNUZFBI-JTQLQIEISA-N 0 0 381.223 2.752 20 5 GFBDRN Cn1nc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])cc1C1CC1 ZINC000881864434 663006713 /nfs/dbraw/zinc/00/67/13/663006713.db2.gz RLPDJJKBOPTBKZ-UHFFFAOYSA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1cc(Cl)c(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000882557144 663031375 /nfs/dbraw/zinc/03/13/75/663031375.db2.gz RSDOZBSSCIVGNP-SECBINFHSA-N 0 0 376.665 2.845 20 5 GFBDRN COC(=O)c1cc(CNCc2ccc(Br)cc2[N+](=O)[O-])cn1C ZINC000883287857 663052355 /nfs/dbraw/zinc/05/23/55/663052355.db2.gz IMOZTWYIEAAXLB-UHFFFAOYSA-N 0 0 382.214 2.772 20 5 GFBDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883518566 663056576 /nfs/dbraw/zinc/05/65/76/663056576.db2.gz UZVPZKVYBKNSRC-QWRGUYRKSA-N 0 0 386.246 2.972 20 5 GFBDRN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1nn2c(c1Br)CCC2 ZINC000885915888 663101198 /nfs/dbraw/zinc/10/11/98/663101198.db2.gz IQKLOKOCSPIAEK-UHFFFAOYSA-N 0 0 384.161 2.996 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000887487912 663148343 /nfs/dbraw/zinc/14/83/43/663148343.db2.gz PPYFSJYGJFBFEH-ZFWWWQNUSA-N 0 0 383.242 2.974 20 5 GFBDRN O=C(Nc1ccnn1[C@H]1CCOC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000888589480 663206468 /nfs/dbraw/zinc/20/64/68/663206468.db2.gz SDQSUTOAXXJKDM-VIFPVBQESA-N 0 0 399.176 2.907 20 5 GFBDRN CC(C)(C(=O)NCc1ncc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000889713581 663257622 /nfs/dbraw/zinc/25/76/22/663257622.db2.gz SENPVURJDGXWJV-UHFFFAOYSA-N 0 0 379.214 2.741 20 5 GFBDRN COCC1(C2CC2)CN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889715876 663258318 /nfs/dbraw/zinc/25/83/18/663258318.db2.gz KOBQCFBPXAWXDC-UHFFFAOYSA-N 0 0 398.257 2.925 20 5 GFBDRN C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000889716036 663258390 /nfs/dbraw/zinc/25/83/90/663258390.db2.gz MPXYDERFMKBZQN-CMPLNLGQSA-N 0 0 386.246 2.517 20 5 GFBDRN CC1(C)CC2(CC(NC(=O)c3cc([N+](=O)[O-])ncc3Br)C2)CO1 ZINC000889728538 663261476 /nfs/dbraw/zinc/26/14/76/663261476.db2.gz XMXVGYFOGWBOTN-UHFFFAOYSA-N 0 0 384.230 2.830 20 5 GFBDRN Cn1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Br)n1 ZINC000889784128 663266556 /nfs/dbraw/zinc/26/65/56/663266556.db2.gz AHWLVQCXDWDRPD-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN Cc1ccc(O[C@@H](C)C(=O)Nc2c([N+](=O)[O-])ncn2C)c(Br)c1 ZINC000891346802 663336864 /nfs/dbraw/zinc/33/68/64/663336864.db2.gz DBKNATMWZRRZHB-VIFPVBQESA-N 0 0 383.202 2.805 20 5 GFBDRN CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000893618996 663417530 /nfs/dbraw/zinc/41/75/30/663417530.db2.gz JHRNQCNMMIHKGC-CYBMUJFWSA-N 0 0 398.257 2.765 20 5 GFBDRN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC000894836873 663484337 /nfs/dbraw/zinc/48/43/37/663484337.db2.gz JUXWLZYQZLJEGM-IINYFYTJSA-N 0 0 387.230 2.529 20 5 GFBDRN COCc1ncc2c(n1)CCN(Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000895416952 663513256 /nfs/dbraw/zinc/51/32/56/663513256.db2.gz IRHMUDRTZFINET-UHFFFAOYSA-N 0 0 399.270 2.914 20 5 GFBDRN O=c1[nH]ccc(N2CCC[C@](O)(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000896317112 663550912 /nfs/dbraw/zinc/55/09/12/663550912.db2.gz JILIAOODCPRKOR-MRXNPFEDSA-N 0 0 394.225 2.946 20 5 GFBDRN Cc1nn(C)c(N2CCC[C@](O)(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000896319074 663551049 /nfs/dbraw/zinc/55/10/49/663551049.db2.gz LGILBUGRWNBRFG-MRXNPFEDSA-N 0 0 395.257 2.887 20 5 GFBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896458264 663558538 /nfs/dbraw/zinc/55/85/38/663558538.db2.gz MZVXJOBSEIGVEE-BQBZGAKWSA-N 0 0 399.227 2.688 20 5 GFBDRN O=C1NCCC2(CCN(Cc3cc(Br)c([N+](=O)[O-])s3)CC2)O1 ZINC000897010655 663586372 /nfs/dbraw/zinc/58/63/72/663586372.db2.gz ORIGZWGBXKPIHI-UHFFFAOYSA-N 0 0 390.259 2.883 20 5 GFBDRN C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897600367 663613218 /nfs/dbraw/zinc/61/32/18/663613218.db2.gz DKQZKPWIRSWMQR-VIFPVBQESA-N 0 0 394.230 2.833 20 5 GFBDRN CO[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CCOC1 ZINC000898581509 663656887 /nfs/dbraw/zinc/65/68/87/663656887.db2.gz YAARSVVPRGHACA-OIBJUYFYSA-N 0 0 381.187 2.822 20 5 GFBDRN C[C@@H](OC(=O)[C@H]1CSCCS1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000899026866 663672875 /nfs/dbraw/zinc/67/28/75/663672875.db2.gz SNDDVWUIMHLDDT-PRHODGIISA-N 0 0 390.870 2.967 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899439018 663687639 /nfs/dbraw/zinc/68/76/39/663687639.db2.gz URPCWKKGZYFULU-GDBMZVCRSA-N 0 0 383.242 2.663 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(CC(F)F)C1CCC1 ZINC000899786354 663700634 /nfs/dbraw/zinc/70/06/34/663700634.db2.gz SHTMYAJUYIVKIJ-UHFFFAOYSA-N 0 0 375.759 2.624 20 5 GFBDRN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCN(Cc2cscn2)CC1 ZINC000900344483 663712909 /nfs/dbraw/zinc/71/29/09/663712909.db2.gz JDTVPEJVGLSSMN-UHFFFAOYSA-N 0 0 384.820 2.802 20 5 GFBDRN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000900485938 663715495 /nfs/dbraw/zinc/71/54/95/663715495.db2.gz FGSBWWAYJKAQQV-MRVPVSSYSA-N 0 0 396.227 2.644 20 5 GFBDRN CO[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCSC1 ZINC000900665539 663718944 /nfs/dbraw/zinc/71/89/44/663718944.db2.gz HRNVMYFAPCNJDB-CYBMUJFWSA-N 0 0 375.244 2.609 20 5 GFBDRN CN(C)[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C(F)(F)F ZINC000900690944 663719771 /nfs/dbraw/zinc/71/97/71/663719771.db2.gz IVVPGYNITSCDOM-SNVBAGLBSA-N 0 0 398.179 2.970 20 5 GFBDRN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000900699707 663719969 /nfs/dbraw/zinc/71/99/69/663719969.db2.gz MRJVLZCEEYPJPS-VIFPVBQESA-N 0 0 380.825 2.673 20 5 GFBDRN CSc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000905905196 663900083 /nfs/dbraw/zinc/90/00/83/663900083.db2.gz VOWHBPFKXWAMBN-CYBMUJFWSA-N 0 0 386.495 2.602 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000907689594 664053566 /nfs/dbraw/zinc/05/35/66/664053566.db2.gz INIILPBIUWLSIR-AWEZNQCLSA-N 0 0 390.458 2.649 20 5 GFBDRN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCOC[C@]12CCOC2 ZINC000908005214 664076436 /nfs/dbraw/zinc/07/64/36/664076436.db2.gz VVYZMPDBESVOBL-CQSZACIVSA-N 0 0 379.171 2.672 20 5 GFBDRN Cn1cnnc1Sc1ccc(C(=O)N2CCC=C(Cl)C2)cc1[N+](=O)[O-] ZINC000911836415 664258021 /nfs/dbraw/zinc/25/80/21/664258021.db2.gz WLXXCRXTNLCWBC-UHFFFAOYSA-N 0 0 379.829 2.843 20 5 GFBDRN CC(C)(CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)n1cccn1 ZINC000912624941 664295132 /nfs/dbraw/zinc/29/51/32/664295132.db2.gz DCALVBCLJMRYMC-UHFFFAOYSA-N 0 0 381.230 2.648 20 5 GFBDRN C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000913583760 664345099 /nfs/dbraw/zinc/34/50/99/664345099.db2.gz SZVUFZWJSLLYHJ-VIFPVBQESA-N 0 0 379.214 2.769 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)CCn1cc(Br)cn1 ZINC000919573031 664514494 /nfs/dbraw/zinc/51/44/94/664514494.db2.gz LLOYNQHXMLSJAU-UHFFFAOYSA-N 0 0 384.186 2.696 20 5 GFBDRN COc1ccc(Br)cc1COC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000919987819 664520502 /nfs/dbraw/zinc/52/05/02/664520502.db2.gz YXBVICJAVULFBT-UHFFFAOYSA-N 0 0 384.186 2.765 20 5 GFBDRN CCOC(=O)[C@@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000920459491 664526365 /nfs/dbraw/zinc/52/63/65/664526365.db2.gz BMZLSBWIIUZPPB-MRVPVSSYSA-N 0 0 380.344 2.774 20 5 GFBDRN COCc1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000920902598 664533839 /nfs/dbraw/zinc/53/38/39/664533839.db2.gz FCILUCVNLKVWME-UHFFFAOYSA-N 0 0 385.785 2.647 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC=CCC2)cc1Br ZINC000921065604 664536325 /nfs/dbraw/zinc/53/63/25/664536325.db2.gz IISXAAQRWGGTBC-JTQLQIEISA-N 0 0 375.244 2.992 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3nc(C4CC4)cc3C2)c(Cl)c1 ZINC000921702372 664562167 /nfs/dbraw/zinc/56/21/67/664562167.db2.gz MJHTXLAKYDAAND-UHFFFAOYSA-N 0 0 382.829 2.527 20 5 GFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000922232923 664590766 /nfs/dbraw/zinc/59/07/66/664590766.db2.gz KQQZNQCVDRQNQA-SNVBAGLBSA-N 0 0 390.692 2.856 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC2(COC2)O1 ZINC000922712080 664611788 /nfs/dbraw/zinc/61/17/88/664611788.db2.gz ZQOMHXSJNRRQIW-NSHDSACASA-N 0 0 386.198 2.771 20 5 GFBDRN CO[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)s1 ZINC000923521024 664632157 /nfs/dbraw/zinc/63/21/57/664632157.db2.gz XUUYDEUNSCREMW-NSHDSACASA-N 0 0 390.215 2.546 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000924462282 664655579 /nfs/dbraw/zinc/65/55/79/664655579.db2.gz BUDUVLWAQFLANW-WFASDCNBSA-N 0 0 383.242 2.927 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cn(C)nc1Br ZINC000927626376 664712289 /nfs/dbraw/zinc/71/22/89/664712289.db2.gz LNWHSIRKROQDAD-UHFFFAOYSA-N 0 0 381.230 2.946 20 5 GFBDRN CCOC(=O)[C@@H](CSC)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000928284614 664727522 /nfs/dbraw/zinc/72/75/22/664727522.db2.gz LTAJTBFTQFHXBM-SNVBAGLBSA-N 0 0 381.237 2.926 20 5 GFBDRN O=[N+]([O-])CCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000929622085 664754983 /nfs/dbraw/zinc/75/49/83/664754983.db2.gz OABZJCUEOAJMBY-ZDUSSCGKSA-N 0 0 381.230 2.837 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@H]1CCC3(COC3)O1)CC2 ZINC000930367348 664768253 /nfs/dbraw/zinc/76/82/53/664768253.db2.gz MRRMLSWJNGCFOZ-LLVKDONJSA-N 0 0 383.242 2.663 20 5 GFBDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931274235 664790161 /nfs/dbraw/zinc/79/01/61/664790161.db2.gz DTXYGKDYYRQYSG-GWCFXTLKSA-N 0 0 383.495 2.747 20 5 GFBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC000931463719 664795474 /nfs/dbraw/zinc/79/54/74/664795474.db2.gz KWJKLBOTWQNESL-LBPRGKRZSA-N 0 0 383.495 2.747 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCc1ccc(Br)cc1F ZINC000932988479 664846402 /nfs/dbraw/zinc/84/64/02/664846402.db2.gz FLKZPOODIMFHJG-UHFFFAOYSA-N 0 0 399.220 2.750 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000935255762 664948942 /nfs/dbraw/zinc/94/89/42/664948942.db2.gz AEVPWAVIXPTWAP-UHFFFAOYSA-N 0 0 387.223 2.740 20 5 GFBDRN COc1ccc(Br)c(CN(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC000935643881 664976203 /nfs/dbraw/zinc/97/62/03/664976203.db2.gz SSIQJNHBGVICPH-UHFFFAOYSA-N 0 0 397.229 2.529 20 5 GFBDRN O=C(NCc1cnc(Br)cn1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935841983 664992404 /nfs/dbraw/zinc/99/24/04/664992404.db2.gz CVJZCKBSZHNEKJ-CHWSQXEVSA-N 0 0 377.198 2.567 20 5 GFBDRN CC1(C)CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000936028710 665004908 /nfs/dbraw/zinc/00/49/08/665004908.db2.gz OXZVDZDNAIBYDL-GXTWGEPZSA-N 0 0 398.257 2.969 20 5 GFBDRN CCO[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164713217 720059419 /nfs/dbraw/zinc/05/94/19/720059419.db2.gz NOKMOSKSBHDQIP-IRUJWGPZSA-N 0 0 377.775 2.961 20 5 GFBDRN O=[N+]([O-])c1ccc2ncc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)nc2c1 ZINC001164787506 721395675 /nfs/dbraw/zinc/39/56/75/721395675.db2.gz POGXSVBQXWSURO-BETUJISGSA-N 0 0 382.449 2.563 20 5 GFBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)nc1Cl ZINC001165015954 721761656 /nfs/dbraw/zinc/76/16/56/721761656.db2.gz UELCHMAPEGXTOA-WXHSDQCUSA-N 0 0 389.786 2.818 20 5 GFBDRN CNS(=O)(=O)c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])s1 ZINC000473521114 532594617 /nfs/dbraw/zinc/59/46/17/532594617.db2.gz QSPAKXIECURGFX-UHFFFAOYSA-N 0 0 378.435 2.725 20 5 GFBDRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010098446 221097222 /nfs/dbraw/zinc/09/72/22/221097222.db2.gz DOQSZJXFWSPDHB-UHFFFAOYSA-N 0 0 377.422 2.876 20 5 GFBDRN Cc1c(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cccc1[N+](=O)[O-] ZINC000015790681 221345569 /nfs/dbraw/zinc/34/55/69/221345569.db2.gz AFPJQINQVRRZMJ-UHFFFAOYSA-N 0 0 377.422 2.842 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC(CCO)CC1 ZINC000400986092 563535533 /nfs/dbraw/zinc/53/55/33/563535533.db2.gz VOUIMWMUEBUKEF-UHFFFAOYSA-N 0 0 376.194 2.798 20 5 GFBDRN COC(=O)CCCCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007687828 551101329 /nfs/dbraw/zinc/10/13/29/551101329.db2.gz MYBQOMFPHIRCKK-UHFFFAOYSA-N 0 0 378.834 2.568 20 5 GFBDRN CS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000007909278 551102094 /nfs/dbraw/zinc/10/20/94/551102094.db2.gz KRKRIUJMLUJLHF-UHFFFAOYSA-N 0 0 383.813 2.702 20 5 GFBDRN CN(CCOc1ccc(Br)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000008052975 551102843 /nfs/dbraw/zinc/10/28/43/551102843.db2.gz DNGOSELOCOHXKU-UHFFFAOYSA-N 0 0 394.225 2.971 20 5 GFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000011359988 551106664 /nfs/dbraw/zinc/10/66/64/551106664.db2.gz ZOLWXEIQQRJVFF-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccc(Br)s1 ZINC000014210422 551110263 /nfs/dbraw/zinc/11/02/63/551110263.db2.gz JEXDISYKAXKIEX-UHFFFAOYSA-N 0 0 391.268 2.940 20 5 GFBDRN CNS(=O)(=O)c1ccc(NCCc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000052355055 551163955 /nfs/dbraw/zinc/16/39/55/551163955.db2.gz FSSAVOBISMBKRJ-UHFFFAOYSA-N 0 0 375.859 2.872 20 5 GFBDRN CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056046680 551176252 /nfs/dbraw/zinc/17/62/52/551176252.db2.gz VCJUIEHESVYOIY-UHFFFAOYSA-N 0 0 383.813 2.507 20 5 GFBDRN Cc1nn(C)c(Cl)c1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000057014919 551179603 /nfs/dbraw/zinc/17/96/03/551179603.db2.gz LHNBAUTVUCDMOL-UHFFFAOYSA-N 0 0 386.861 2.889 20 5 GFBDRN CC(C)N(CC(F)(F)F)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000060711847 551183874 /nfs/dbraw/zinc/18/38/74/551183874.db2.gz PJSUPANAZIDNPF-UHFFFAOYSA-N 0 0 379.360 2.585 20 5 GFBDRN C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333874 551186369 /nfs/dbraw/zinc/18/63/69/551186369.db2.gz YXKPVNLXNUMVJR-JSGCOSHPSA-N 0 0 381.479 2.770 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(F)c(Br)cc1F ZINC000121642417 551238755 /nfs/dbraw/zinc/23/87/55/551238755.db2.gz SUGPTTXWNSBKKI-UHFFFAOYSA-N 0 0 390.144 2.654 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnc(-c2ccccc2Cl)s1 ZINC000122479528 551298372 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380.809 2.849 20 5 GFBDRN O=c1c(Br)cn(Cc2ccn(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000132760980 551378213 /nfs/dbraw/zinc/37/82/13/551378213.db2.gz TZXVSAMJLIETBL-UHFFFAOYSA-N 0 0 393.172 2.892 20 5 GFBDRN COC(=O)c1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000140846953 551393668 /nfs/dbraw/zinc/39/36/68/551393668.db2.gz AIQLLPHNZALVBQ-SSDOTTSWSA-N 0 0 385.785 2.897 20 5 GFBDRN C[C@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000146366170 551397413 /nfs/dbraw/zinc/39/74/13/551397413.db2.gz JZAILUCSUQTLDP-JTQLQIEISA-N 0 0 380.447 2.819 20 5 GFBDRN CN1C(=O)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000151236451 551409584 /nfs/dbraw/zinc/40/95/84/551409584.db2.gz ASFVBGJJRFIZSF-UHFFFAOYSA-N 0 0 390.193 2.981 20 5 GFBDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000151610405 551417775 /nfs/dbraw/zinc/41/77/75/551417775.db2.gz XHYCOQBGUVGCOL-KOLCDFICSA-N 0 0 385.214 2.819 20 5 GFBDRN Cc1ccc(C)c(OC[C@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c1C 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378.372 2.990 20 5 GFBDRN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155592083 551503658 /nfs/dbraw/zinc/50/36/58/551503658.db2.gz YKPOJBOIAVIPAY-VIFPVBQESA-N 0 0 379.722 2.531 20 5 GFBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cncc(Br)c1 ZINC000156039328 551513418 /nfs/dbraw/zinc/51/34/18/551513418.db2.gz HZSXINWPNZTUCT-VIFPVBQESA-N 0 0 393.197 2.509 20 5 GFBDRN CC1(C)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000156304904 551519318 /nfs/dbraw/zinc/51/93/18/551519318.db2.gz LGUBWZBIPGDOKG-VIFPVBQESA-N 0 0 382.360 2.850 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000157892476 551544257 /nfs/dbraw/zinc/54/42/57/551544257.db2.gz DKUOOOWRBAAZJU-JQWIXIFHSA-N 0 0 393.259 2.593 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCCOc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000161690562 551597628 /nfs/dbraw/zinc/59/76/28/551597628.db2.gz JEHCPMLRYLSMGS-UHFFFAOYSA-N 0 0 388.211 2.781 20 5 GFBDRN CN(Cc1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 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2.764 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccco2)C[C@H]2CCCO2)s1 ZINC000181531060 552260111 /nfs/dbraw/zinc/26/01/11/552260111.db2.gz RACXVXAMVBXEJH-GFCCVEGCSA-N 0 0 386.451 2.838 20 5 GFBDRN CC(C)OCCCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000181850331 552269536 /nfs/dbraw/zinc/26/95/36/552269536.db2.gz DLEVABDDRNLVEF-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN CC(C)N(CCc1nccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182250275 552279587 /nfs/dbraw/zinc/27/95/87/552279587.db2.gz MEQMALLXFXVYNT-UHFFFAOYSA-N 0 0 383.495 2.778 20 5 GFBDRN Cc1nn(C)c(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182286156 552280240 /nfs/dbraw/zinc/28/02/40/552280240.db2.gz OUUNQZPYKBARDD-UHFFFAOYSA-N 0 0 383.202 2.725 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CCO)CCCCC2)c(Cl)c1 ZINC000182489295 552285491 /nfs/dbraw/zinc/28/54/91/552285491.db2.gz NTIGSJXFYMGGOA-UHFFFAOYSA-N 0 0 376.862 2.859 20 5 GFBDRN Cc1cc(CS(=O)(=O)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000182502118 552286039 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GFBDRN Cc1nn(C)c(Sc2nnnn2-c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000302197663 563423017 /nfs/dbraw/zinc/42/30/17/563423017.db2.gz XVAQRMCXWBUNBW-UHFFFAOYSA-N 0 0 396.230 2.526 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCn3c(Br)cnc3C2)c1 ZINC000282761722 563423291 /nfs/dbraw/zinc/42/32/91/563423291.db2.gz KZKPYAREBHIMDZ-UHFFFAOYSA-N 0 0 395.213 2.609 20 5 GFBDRN CCN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000425488516 563424484 /nfs/dbraw/zinc/42/44/84/563424484.db2.gz WUEUMPJQAAFJFX-HNNXBMFYSA-N 0 0 394.273 2.959 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCC[C@@H]1CCO ZINC000302479509 563425443 /nfs/dbraw/zinc/42/54/43/563425443.db2.gz WCACKSKURNHXPE-MWLCHTKSSA-N 0 0 382.360 2.851 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000282813184 563425586 /nfs/dbraw/zinc/42/55/86/563425586.db2.gz OWNQJMCIYUIBFJ-LLVKDONJSA-N 0 0 395.213 2.896 20 5 GFBDRN Cc1cc(N2CCO[C@@H](Cn3cccn3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302695122 563428266 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COCCS(=O)(=O)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000428684312 563499968 /nfs/dbraw/zinc/49/99/68/563499968.db2.gz VLBUQLRYJXRAMN-UHFFFAOYSA-N 0 0 385.829 2.675 20 5 GFBDRN CS[C@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000285410616 563519440 /nfs/dbraw/zinc/51/94/40/563519440.db2.gz WJELBOQHCLEPLC-QPUJVOFHSA-N 0 0 377.260 2.508 20 5 GFBDRN C[C@H]1N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1(C)C ZINC000331063919 563533899 /nfs/dbraw/zinc/53/38/99/563533899.db2.gz WJUIAHMMLKEXJF-SNVBAGLBSA-N 0 0 386.246 2.795 20 5 GFBDRN CO[C@@]1(C)CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000331100984 563535047 /nfs/dbraw/zinc/53/50/47/563535047.db2.gz OPEHDHGDPFHBRQ-ZDUSSCGKSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000430158189 563536502 /nfs/dbraw/zinc/53/65/02/563536502.db2.gz TWATVOJXHSPVJL-GFCCVEGCSA-N 0 0 393.237 2.938 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000430317006 563540933 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GFBDRN COc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1[N+](=O)[O-] ZINC000432014415 563573161 /nfs/dbraw/zinc/57/31/61/563573161.db2.gz VPZIPKRNCRBQBI-UHFFFAOYSA-N 0 0 395.209 2.930 20 5 GFBDRN C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286917882 563580225 /nfs/dbraw/zinc/58/02/25/563580225.db2.gz PYYFEQSWUCKNSJ-RKDXNWHRSA-N 0 0 375.194 2.899 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)C2CC2)cc([N+](=O)[O-])c1 ZINC000410130169 563582507 /nfs/dbraw/zinc/58/25/07/563582507.db2.gz KDKJTGWTOFUEAH-OAHLLOKOSA-N 0 0 380.447 2.941 20 5 GFBDRN Cc1c(NC(=O)N2CCC[C@](F)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000287056529 563585547 /nfs/dbraw/zinc/58/55/47/563585547.db2.gz GKVLBWSSJZEMOJ-CQSZACIVSA-N 0 0 390.209 2.994 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cc1ccc(F)cn1 ZINC000432646014 563590511 /nfs/dbraw/zinc/59/05/11/563590511.db2.gz WVYLFHOVEDTIHJ-UHFFFAOYSA-N 0 0 375.175 2.865 20 5 GFBDRN O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000410669268 563595249 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Cc1c(NC(=O)NCc2cc(C(N)=O)co2)cc(Br)cc1[N+](=O)[O-] ZINC000435329109 563648214 /nfs/dbraw/zinc/64/82/14/563648214.db2.gz OEBDJOOTMWAFHJ-UHFFFAOYSA-N 0 0 397.185 2.679 20 5 GFBDRN COCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435521424 563652734 /nfs/dbraw/zinc/65/27/34/563652734.db2.gz WTDWNVQBCWFFRN-UHFFFAOYSA-N 0 0 381.435 2.509 20 5 GFBDRN COc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1[N+](=O)[O-] ZINC000435647349 563655928 /nfs/dbraw/zinc/65/59/28/563655928.db2.gz RHVSCYCCOUWUKT-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CC(C)Oc1cc(C(=O)NCc2nn(C)cc2Br)ccc1[N+](=O)[O-] ZINC000412386934 563655969 /nfs/dbraw/zinc/65/59/69/563655969.db2.gz VGYCOIYQRYSHQZ-UHFFFAOYSA-N 0 0 397.229 2.808 20 5 GFBDRN CN(CCn1cc(Br)cn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000288925209 563662038 /nfs/dbraw/zinc/66/20/38/563662038.db2.gz VKRLSWVPKTVFND-UHFFFAOYSA-N 0 0 380.202 2.827 20 5 GFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000289389839 563673686 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2.697 20 5 GFBDRN CN(C)C(=O)[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000413516865 563696334 /nfs/dbraw/zinc/69/63/34/563696334.db2.gz OLWZJMZYIZAWHG-SNVBAGLBSA-N 0 0 393.241 2.820 20 5 GFBDRN CCOC[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290645652 563716931 /nfs/dbraw/zinc/71/69/31/563716931.db2.gz DOLIISSCSRARMI-SECBINFHSA-N 0 0 383.253 2.949 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439113449 563717814 /nfs/dbraw/zinc/71/78/14/563717814.db2.gz FIVGXYWDKFHWEU-ZDUSSCGKSA-N 0 0 385.873 2.988 20 5 GFBDRN CC(C)C1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000290698451 563718482 /nfs/dbraw/zinc/71/84/82/563718482.db2.gz FUWYFLALBKWHOM-UHFFFAOYSA-N 0 0 384.230 2.848 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(C(F)(F)F)cc1Br ZINC000439297403 563722107 /nfs/dbraw/zinc/72/21/07/563722107.db2.gz RONZOLVXLSHAGQ-UHFFFAOYSA-N 0 0 394.107 2.606 20 5 GFBDRN CSC1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290831722 563723220 /nfs/dbraw/zinc/72/32/20/563723220.db2.gz UOOVZGHCHQARLF-UHFFFAOYSA-N 0 0 398.865 2.578 20 5 GFBDRN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290936563 563726639 /nfs/dbraw/zinc/72/66/39/563726639.db2.gz ZEVPHXRTBRCOFJ-BXKDBHETSA-N 0 0 384.230 2.991 20 5 GFBDRN COCC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000291185283 563734309 /nfs/dbraw/zinc/73/43/09/563734309.db2.gz LHPFXOBSFMTPBM-NSHDSACASA-N 0 0 387.230 2.543 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Oc1cccc(Br)c1 ZINC000440324420 563738986 /nfs/dbraw/zinc/73/89/86/563738986.db2.gz GCDYWJAOTQKDKO-VIFPVBQESA-N 0 0 396.197 2.655 20 5 GFBDRN Cc1csc(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364205389 563746023 /nfs/dbraw/zinc/74/60/23/563746023.db2.gz ANOWNTKMPPYUFZ-UHFFFAOYSA-N 0 0 382.467 2.625 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340569 563749653 /nfs/dbraw/zinc/74/96/53/563749653.db2.gz SAKMJKUVYWTHNE-ZBFHGGJFSA-N 0 0 395.257 2.924 20 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ZINC000292742145 563794438 /nfs/dbraw/zinc/79/44/38/563794438.db2.gz IXTHJOGSPJQBRE-GFCCVEGCSA-N 0 0 396.245 2.591 20 5 GFBDRN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)s1 ZINC000443171815 563794790 /nfs/dbraw/zinc/79/47/90/563794790.db2.gz WSQVPGFYIWYXQQ-MRVPVSSYSA-N 0 0 388.247 2.676 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2nccs2)C(F)(F)F)c1 ZINC000293031100 563798683 /nfs/dbraw/zinc/79/86/83/563798683.db2.gz RNFVWUBKLWFXGQ-ZYHUDNBSSA-N 0 0 377.344 2.684 20 5 GFBDRN COc1cc(S(=O)(=O)NCCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000443729551 563810850 /nfs/dbraw/zinc/81/08/50/563810850.db2.gz DKUVPJOYUPAICV-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN C[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394784 563822565 /nfs/dbraw/zinc/82/25/65/563822565.db2.gz ZLKFYZROBGVSBN-KOLCDFICSA-N 0 0 382.360 2.850 20 5 GFBDRN CC[C@H](C[C@@H](C)CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418074 563825915 /nfs/dbraw/zinc/82/59/15/563825915.db2.gz 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C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000445733720 563853250 /nfs/dbraw/zinc/85/32/50/563853250.db2.gz LPTOGNQDCMXPFI-OPRDCNLKSA-N 0 0 393.259 2.544 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000416639825 563856549 /nfs/dbraw/zinc/85/65/49/563856549.db2.gz BHQPSHJJZYPPDP-UHFFFAOYSA-N 0 0 382.360 2.635 20 5 GFBDRN Cc1nnc([C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)[nH]1 ZINC000417121099 563868447 /nfs/dbraw/zinc/86/84/47/563868447.db2.gz ZVMMIWCFIXHNHJ-SECBINFHSA-N 0 0 395.217 2.805 20 5 GFBDRN CO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030433 563872583 /nfs/dbraw/zinc/87/25/83/563872583.db2.gz UVVAUOUDJABNFJ-VXGBXAGGSA-N 0 0 382.360 2.705 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000447937463 563891278 /nfs/dbraw/zinc/89/12/78/563891278.db2.gz AVWHFISIDKIYHG-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447938149 563891306 /nfs/dbraw/zinc/89/13/06/563891306.db2.gz DYRXUIAJNHFAOE-LLVKDONJSA-N 0 0 394.902 2.781 20 5 GFBDRN Cc1noc(C2CN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)C2)n1 ZINC000369315723 563892089 /nfs/dbraw/zinc/89/20/89/563892089.db2.gz VZRMELLQUOMLJW-UHFFFAOYSA-N 0 0 381.186 2.597 20 5 GFBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000470831187 564178366 /nfs/dbraw/zinc/17/83/66/564178366.db2.gz LIWKUUHAXZELOD-ZETCQYMHSA-N 0 0 383.202 2.888 20 5 GFBDRN CC(C)C1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000563296522 564185256 /nfs/dbraw/zinc/18/52/56/564185256.db2.gz SXHHGXYHLHZIHN-UHFFFAOYSA-N 0 0 384.230 2.848 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCOc3c(Cl)cccc32)c([N+](=O)[O-])c1 ZINC000471208876 564189026 /nfs/dbraw/zinc/18/90/26/564189026.db2.gz WQDHGCUSGLQNTB-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N2CCSC23CCCCC3)cc([N+](=O)[O-])c1 ZINC000563765894 564206069 /nfs/dbraw/zinc/20/60/69/564206069.db2.gz FQMKEOKAOPLFMT-UHFFFAOYSA-N 0 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COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474183715 564268492 /nfs/dbraw/zinc/26/84/92/564268492.db2.gz IXCPTUHEGAFUAH-CQSZACIVSA-N 0 0 384.841 2.784 20 5 GFBDRN CNc1nccc(C(=O)N2CCCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC000565182784 564270086 /nfs/dbraw/zinc/27/00/86/564270086.db2.gz RZHFGOYCNYTUCF-UHFFFAOYSA-N 0 0 391.225 2.809 20 5 GFBDRN Cc1nc2ccccc2nc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474363970 564276249 /nfs/dbraw/zinc/27/62/49/564276249.db2.gz SJLPZFPJOKJHBZ-UHFFFAOYSA-N 0 0 375.182 2.819 20 5 GFBDRN Cc1c(Br)c(N[C@@H](Cc2ccccc2)C(N)=O)ncc1[N+](=O)[O-] ZINC000541578483 564284273 /nfs/dbraw/zinc/28/42/73/564284273.db2.gz INFULBRIOMPSEZ-NSHDSACASA-N 0 0 379.214 2.569 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000541832054 564291470 /nfs/dbraw/zinc/29/14/70/564291470.db2.gz XSXDCMDLTXPVGV-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1Cl ZINC000542280195 564308845 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C[C@]1(F)CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000451599573 564330257 /nfs/dbraw/zinc/33/02/57/564330257.db2.gz OSRFSTMIQHBCQZ-LBPRGKRZSA-N 0 0 381.223 2.870 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451667949 564338628 /nfs/dbraw/zinc/33/86/28/564338628.db2.gz ZOCOSNKHWWRLRX-ZDUSSCGKSA-N 0 0 384.841 2.784 20 5 GFBDRN NC(=O)[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543146608 564338970 /nfs/dbraw/zinc/33/89/70/564338970.db2.gz OFVGCIKQPKSXNB-HNNXBMFYSA-N 0 0 379.825 2.683 20 5 GFBDRN NC(=O)[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543146612 564339365 /nfs/dbraw/zinc/33/93/65/564339365.db2.gz OFVGCIKQPKSXNB-OAHLLOKOSA-N 0 0 379.825 2.683 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000510635225 564341068 /nfs/dbraw/zinc/34/10/68/564341068.db2.gz PYAHRASXZJLYNG-AWEZNQCLSA-N 0 0 384.845 2.646 20 5 GFBDRN CNC(=O)COc1cccc(Oc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000543438949 564350284 /nfs/dbraw/zinc/35/02/84/564350284.db2.gz ZFUSETHNKIKHCI-UHFFFAOYSA-N 0 0 396.197 2.978 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](c3nncn3C)C2)ncc1[N+](=O)[O-] ZINC000543449718 564351535 /nfs/dbraw/zinc/35/15/35/564351535.db2.gz PNXPOVRPMBILDL-JTQLQIEISA-N 0 0 381.234 2.573 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451833311 564356968 /nfs/dbraw/zinc/35/69/68/564356968.db2.gz MLZFSCDLAYHMAD-UFBFGSQYSA-N 0 0 383.253 2.947 20 5 GFBDRN COc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ncc1Br ZINC000476982159 564361072 /nfs/dbraw/zinc/36/10/72/564361072.db2.gz RBIVVMZFKYWPRU-UHFFFAOYSA-N 0 0 392.169 2.890 20 5 GFBDRN C[C@H]1N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1(C)C ZINC000477196620 564369174 /nfs/dbraw/zinc/36/91/74/564369174.db2.gz YOWYNLIMQZUDPM-SECBINFHSA-N 0 0 393.259 2.545 20 5 GFBDRN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000567437935 564371457 /nfs/dbraw/zinc/37/14/57/564371457.db2.gz MLKJGSQTAVBJBW-RYUDHWBXSA-N 0 0 378.182 2.744 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000451957641 564372412 /nfs/dbraw/zinc/37/24/12/564372412.db2.gz FRQKINKWOJYELD-BXUZGUMPSA-N 0 0 383.451 2.558 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477287271 564372716 /nfs/dbraw/zinc/37/27/16/564372716.db2.gz OISGHBQOBKBGOB-HNNXBMFYSA-N 0 0 397.204 2.960 20 5 GFBDRN COC(=O)c1ccc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)s1 ZINC000544079999 564373275 /nfs/dbraw/zinc/37/32/75/564373275.db2.gz ALEWRJXYHQFTQJ-UHFFFAOYSA-N 0 0 387.211 2.724 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000544078225 564373397 /nfs/dbraw/zinc/37/33/97/564373397.db2.gz MRRRUKXXLAXRMY-UHFFFAOYSA-N 0 0 395.135 2.628 20 5 GFBDRN CCOc1ccc(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000477394628 564375087 /nfs/dbraw/zinc/37/50/87/564375087.db2.gz TVTWDFDYHJDLTJ-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN C[C@H](O)CN(CC(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451990133 564377190 /nfs/dbraw/zinc/37/71/90/564377190.db2.gz LQLXEEXXQMXRFD-LURJTMIESA-N 0 0 393.195 2.538 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](Cn3ccnn3)C2)ncc1[N+](=O)[O-] ZINC000544393643 564384925 /nfs/dbraw/zinc/38/49/25/564384925.db2.gz FKHMTMPYEYBBOP-LLVKDONJSA-N 0 0 381.234 2.569 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000544416030 564385645 /nfs/dbraw/zinc/38/56/45/564385645.db2.gz UEXSXSDKQROKFO-UHFFFAOYSA-N 0 0 396.197 2.800 20 5 GFBDRN Cc1c(Br)c(N2CCC(c3nncn3C)CC2)ncc1[N+](=O)[O-] ZINC000544410662 564385958 /nfs/dbraw/zinc/38/59/58/564385958.db2.gz YZKWDBCBUJBFPP-UHFFFAOYSA-N 0 0 381.234 2.573 20 5 GFBDRN Cc1c(Br)c(NCCNC(=O)CC2CCCC2)ncc1[N+](=O)[O-] ZINC000544410653 564386247 /nfs/dbraw/zinc/38/62/47/564386247.db2.gz YIAAJDZHEDIWKK-UHFFFAOYSA-N 0 0 385.262 2.591 20 5 GFBDRN NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000512523106 564405436 /nfs/dbraw/zinc/40/54/36/564405436.db2.gz DEHBRPACJNXQBI-ZDUSSCGKSA-N 0 0 392.209 2.704 20 5 GFBDRN Cc1cc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)ccc1Br ZINC000545530005 564427399 /nfs/dbraw/zinc/42/73/99/564427399.db2.gz NMXYYCPCHNAOPJ-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn(C)cc1Cl ZINC000452743742 564429095 /nfs/dbraw/zinc/42/90/95/564429095.db2.gz UINJSOLQNLFSSV-UHFFFAOYSA-N 0 0 384.845 2.650 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4s3)C2)cc1 ZINC000479201119 564430997 /nfs/dbraw/zinc/43/09/97/564430997.db2.gz AGKZWOTUHWKIHW-UHFFFAOYSA-N 0 0 375.431 2.993 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452846223 564433923 /nfs/dbraw/zinc/43/39/23/564433923.db2.gz LUPXPKFZIWCESS-LBPRGKRZSA-N 0 0 379.214 2.570 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1[N+](=O)[O-] ZINC000513609251 564433990 /nfs/dbraw/zinc/43/39/90/564433990.db2.gz QQZHKNUAXVPBMF-UHFFFAOYSA-N 0 0 376.381 2.506 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452846817 564434100 /nfs/dbraw/zinc/43/41/00/564434100.db2.gz MPJLVJYBZXEHMK-LLVKDONJSA-N 0 0 379.214 2.721 20 5 GFBDRN CCOC(=O)CC(C)(C)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479441868 564440840 /nfs/dbraw/zinc/44/08/40/564440840.db2.gz RZMMWTDVEUEECA-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3cc([N+](=O)[O-])cn3C)nc12 ZINC000546114619 564445881 /nfs/dbraw/zinc/44/58/81/564445881.db2.gz FWBPZYXVVKGADD-UHFFFAOYSA-N 0 0 392.213 2.582 20 5 GFBDRN COCc1cccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000479927366 564455147 /nfs/dbraw/zinc/45/51/47/564455147.db2.gz QIBNQAVETGGRDK-UHFFFAOYSA-N 0 0 384.841 2.916 20 5 GFBDRN Cc1c(Br)c(N2CC[C@H](Nc3ncccn3)C2)ncc1[N+](=O)[O-] ZINC000569451168 564463837 /nfs/dbraw/zinc/46/38/37/564463837.db2.gz BARBNPILYATIPD-JTQLQIEISA-N 0 0 379.218 2.542 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCN(c3ccccc3)CC2)s1 ZINC000480414846 564471844 /nfs/dbraw/zinc/47/18/44/564471844.db2.gz VJUPZPAXZNRTFI-UHFFFAOYSA-N 0 0 381.479 2.851 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CCS(=O)(=O)C2)no1 ZINC000547116850 564477678 /nfs/dbraw/zinc/47/76/78/564477678.db2.gz UIJNXRUNDPRDFD-IUCAKERBSA-N 0 0 387.801 2.673 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2cc(Br)c[nH]c2=O)no1 ZINC000547171090 564479280 /nfs/dbraw/zinc/47/92/80/564479280.db2.gz MBTYVXPFXFZFKG-UHFFFAOYSA-N 0 0 392.169 2.802 20 5 GFBDRN Cc1cc(NC(=O)NCc2cc(Br)cnc2N)ccc1[N+](=O)[O-] ZINC000480681590 564481431 /nfs/dbraw/zinc/48/14/31/564481431.db2.gz QMVDSTZSRDMUIU-UHFFFAOYSA-N 0 0 380.202 2.795 20 5 GFBDRN CC(C)OC[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000547461684 564489625 /nfs/dbraw/zinc/48/96/25/564489625.db2.gz BLHAWYZDCHROBQ-LBPRGKRZSA-N 0 0 387.230 2.623 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000480864171 564492505 /nfs/dbraw/zinc/49/25/05/564492505.db2.gz FLVOWLYISMOOBV-UHFFFAOYSA-N 0 0 375.328 2.796 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC000454051956 564494324 /nfs/dbraw/zinc/49/43/24/564494324.db2.gz UASPVGXRLRYKTB-INIZCTEOSA-N 0 0 383.857 2.932 20 5 GFBDRN CCS[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000481064763 564502469 /nfs/dbraw/zinc/50/24/69/564502469.db2.gz VPBFMDZKKIVDOC-JTQLQIEISA-N 0 0 386.455 2.613 20 5 GFBDRN Nc1nccc(C(=O)NCC2(c3ccccc3Br)CC2)c1[N+](=O)[O-] ZINC000547764341 564510457 /nfs/dbraw/zinc/51/04/57/564510457.db2.gz IXPBMIISSPZBPU-UHFFFAOYSA-N 0 0 391.225 2.626 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1C1CCC1 ZINC000516869721 564514256 /nfs/dbraw/zinc/51/42/56/564514256.db2.gz NNNDIDPLWOTRHP-OAHLLOKOSA-N 0 0 383.242 2.927 20 5 GFBDRN CCN(CCc1cccs1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000454622198 564516311 /nfs/dbraw/zinc/51/63/11/564516311.db2.gz PJVBHMOFQZWTRE-UHFFFAOYSA-N 0 0 382.463 2.765 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000481881937 564526999 /nfs/dbraw/zinc/52/69/99/564526999.db2.gz AJEJKSMDGUBNGV-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548085091 564530420 /nfs/dbraw/zinc/53/04/20/564530420.db2.gz AQKKFTHSHMSZOH-UHFFFAOYSA-N 0 0 397.204 2.966 20 5 GFBDRN O=C(NCCSCC(F)(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571013403 564531549 /nfs/dbraw/zinc/53/15/49/564531549.db2.gz NLZRGBDNTALHFI-UHFFFAOYSA-N 0 0 379.360 2.794 20 5 GFBDRN Cn1cc([C@@H]2CSCCN2C(=O)CSc2ccccc2[N+](=O)[O-])cn1 ZINC000482403977 564542607 /nfs/dbraw/zinc/54/26/07/564542607.db2.gz VBLQCOAIBALMDM-AWEZNQCLSA-N 0 0 378.479 2.737 20 5 GFBDRN NS(=O)(=O)c1c(NCC2(Sc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000518845638 564563497 /nfs/dbraw/zinc/56/34/97/564563497.db2.gz GKOAYALTADJQOM-UHFFFAOYSA-N 0 0 379.463 2.979 20 5 GFBDRN CS(=O)(=O)Nc1ccc(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cn1 ZINC000518937782 564565775 /nfs/dbraw/zinc/56/57/75/564565775.db2.gz OBWHANXGANJEJY-UHFFFAOYSA-N 0 0 378.288 2.567 20 5 GFBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455824377 564573297 /nfs/dbraw/zinc/57/32/97/564573297.db2.gz SFWDCDLFUUKIJX-RYUDHWBXSA-N 0 0 386.495 2.745 20 5 GFBDRN O=C(CN1CC[C@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000549078169 564585457 /nfs/dbraw/zinc/58/54/57/564585457.db2.gz OJXBFRUQETWDMN-VIFPVBQESA-N 0 0 394.172 2.609 20 5 GFBDRN COc1cc(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)ccc1Cl ZINC000549246119 564589943 /nfs/dbraw/zinc/58/99/43/564589943.db2.gz ASXNJGWPMNPBGB-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN Cc1c(Br)cccc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000549611807 564600322 /nfs/dbraw/zinc/60/03/22/564600322.db2.gz HHOVNBUURJIMLD-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN CC1(C)CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[S@]1=O ZINC000456357851 564602133 /nfs/dbraw/zinc/60/21/33/564602133.db2.gz AFCUZZDNMYOZES-RUZDIDTESA-N 0 0 378.372 2.987 20 5 GFBDRN CN(Cc1ccoc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000520882265 564615908 /nfs/dbraw/zinc/61/59/08/564615908.db2.gz UEQXJCJOXRIVPO-UHFFFAOYSA-N 0 0 375.200 2.771 20 5 GFBDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)ccn1 ZINC000550215174 564616915 /nfs/dbraw/zinc/61/69/15/564616915.db2.gz MZLIAQLUTHTQFV-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456678384 564624767 /nfs/dbraw/zinc/62/47/67/564624767.db2.gz WOQCFIYCLLJQHV-OPQQBVKSSA-N 0 0 378.372 2.847 20 5 GFBDRN COc1cccc([N+](=O)[O-])c1NCc1nn(C)cc1I ZINC000521370353 564625435 /nfs/dbraw/zinc/62/54/35/564625435.db2.gz QVYGHZPLUCSJOL-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456714047 564626871 /nfs/dbraw/zinc/62/68/71/564626871.db2.gz WJQVVIQIJZMBER-WRWORJQWSA-N 0 0 397.147 2.743 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000550560005 564626900 /nfs/dbraw/zinc/62/69/00/564626900.db2.gz QGZZNDCIBMYJEH-VIFPVBQESA-N 0 0 394.229 2.694 20 5 GFBDRN CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)OC ZINC000550642241 564627685 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CCOC1CC(N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561561995 565002996 /nfs/dbraw/zinc/00/29/96/565002996.db2.gz DLSXOCBBHUJANY-UHFFFAOYSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143350 565005849 /nfs/dbraw/zinc/00/58/49/565005849.db2.gz RTTDXHIBECYTKW-FNODVLLQSA-N 0 0 382.463 2.680 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(Cn2nnc3ccccc32)c1 ZINC000562038762 565016192 /nfs/dbraw/zinc/01/61/92/565016192.db2.gz DGWUJNGYXLAHOB-UHFFFAOYSA-N 0 0 380.145 2.992 20 5 GFBDRN CSc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000469536796 565019928 /nfs/dbraw/zinc/01/99/28/565019928.db2.gz BYLBTVQTAPPTOP-UHFFFAOYSA-N 0 0 386.476 2.712 20 5 GFBDRN CC(C)(C)c1nnc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000535790045 565021049 /nfs/dbraw/zinc/02/10/49/565021049.db2.gz ICPVCRKYVZLITF-UHFFFAOYSA-N 0 0 376.485 2.821 20 5 GFBDRN Cc1c(CNC(=O)c2cc(Br)c(C)n(C)c2=O)cccc1[N+](=O)[O-] ZINC000469850855 565029237 /nfs/dbraw/zinc/02/92/37/565029237.db2.gz FYUFDGIRRXUHEW-UHFFFAOYSA-N 0 0 394.225 2.603 20 5 GFBDRN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000536135118 565030551 /nfs/dbraw/zinc/03/05/51/565030551.db2.gz FYHVNOUBNCOFJW-RKDXNWHRSA-N 0 0 382.269 2.615 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCN(c3ncccc3F)CC2)c(Br)c1 ZINC000536390979 565035947 /nfs/dbraw/zinc/03/59/47/565035947.db2.gz RZVVFLBKCXNFMD-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN CCOC(=O)c1cc(C(=O)Nc2ccncc2Br)cc([N+](=O)[O-])c1 ZINC000536499065 565039391 /nfs/dbraw/zinc/03/93/91/565039391.db2.gz RRSJTBONMFSJTF-UHFFFAOYSA-N 0 0 394.181 2.603 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)CCC1CC1 ZINC000536554522 565040612 /nfs/dbraw/zinc/04/06/12/565040612.db2.gz RJSADGKHUGSBIY-UHFFFAOYSA-N 0 0 381.376 2.745 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000470408654 565044614 /nfs/dbraw/zinc/04/46/14/565044614.db2.gz QOPOPPOPYQTTDX-UHFFFAOYSA-N 0 0 383.451 2.998 20 5 GFBDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000586777394 565115575 /nfs/dbraw/zinc/11/55/75/565115575.db2.gz NLEBRXBMVSDUPS-QPUJVOFHSA-N 0 0 381.738 2.838 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000614573159 565120910 /nfs/dbraw/zinc/12/09/10/565120910.db2.gz PEIOHGKGHJJDIF-KOLCDFICSA-N 0 0 375.244 2.920 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2CCC[C@H]21 ZINC000614573160 565121155 /nfs/dbraw/zinc/12/11/55/565121155.db2.gz PEIOHGKGHJJDIF-MWLCHTKSSA-N 0 0 375.244 2.920 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC2(F)F)c(S(=O)(=O)N2CCCC2)c1 ZINC000588040035 565123382 /nfs/dbraw/zinc/12/33/82/565123382.db2.gz FLKLSDAJDOBQJA-CQSZACIVSA-N 0 0 375.397 2.979 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c1 ZINC000588144368 565128903 /nfs/dbraw/zinc/12/89/03/565128903.db2.gz GPHQYYFUIJDMAP-JTQLQIEISA-N 0 0 385.186 2.823 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000588144933 565129151 /nfs/dbraw/zinc/12/91/51/565129151.db2.gz ZOVUHULKAVZHLY-ZDUSSCGKSA-N 0 0 384.841 2.611 20 5 GFBDRN CN(CCn1cc(Br)cn1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588865156 565141429 /nfs/dbraw/zinc/14/14/29/565141429.db2.gz WHSIXZKCBXKWPX-UHFFFAOYSA-N 0 0 377.202 2.633 20 5 GFBDRN Cn1ccnc1[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000589017268 565146820 /nfs/dbraw/zinc/14/68/20/565146820.db2.gz PLELAENFSIRJSE-CYBMUJFWSA-N 0 0 379.214 2.972 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C2CC2)C1 ZINC000589031159 565147505 /nfs/dbraw/zinc/14/75/05/565147505.db2.gz VOKUKUREVUMZMX-LLVKDONJSA-N 0 0 396.241 2.944 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@H]1CC(F)F ZINC000589037481 565147735 /nfs/dbraw/zinc/14/77/35/565147735.db2.gz YUPPJHSJDSDBEJ-SECBINFHSA-N 0 0 379.157 2.854 20 5 GFBDRN C[C@@H](Cc1cccc(Br)c1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589566500 565166894 /nfs/dbraw/zinc/16/68/94/565166894.db2.gz ONTNLJFQQSTJNL-VIFPVBQESA-N 0 0 379.214 2.894 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000590171265 565179485 /nfs/dbraw/zinc/17/94/85/565179485.db2.gz KYSIFBVDTNYLFF-OAHLLOKOSA-N 0 0 386.857 2.828 20 5 GFBDRN Cc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057538 565187666 /nfs/dbraw/zinc/18/76/66/565187666.db2.gz NCWDFCIRKGMIEB-BBRMVZONSA-N 0 0 384.274 2.701 20 5 GFBDRN Cc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057540 565187720 /nfs/dbraw/zinc/18/77/20/565187720.db2.gz NCWDFCIRKGMIEB-CZUORRHYSA-N 0 0 384.274 2.701 20 5 GFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@H](O)C12CCCC2 ZINC000590494323 565190163 /nfs/dbraw/zinc/19/01/63/565190163.db2.gz FGEYXRCBRJXYJP-VIFPVBQESA-N 0 0 375.244 2.938 20 5 GFBDRN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591327538 565224141 /nfs/dbraw/zinc/22/41/41/565224141.db2.gz OXLRUYNVQMFYHJ-DOFRTFSJSA-N 0 0 382.360 2.848 20 5 GFBDRN O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592422935 565275342 /nfs/dbraw/zinc/27/53/42/565275342.db2.gz OKTNKAVLZLYFPD-KOLCDFICSA-N 0 0 390.177 2.542 20 5 GFBDRN CCOC(=O)CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000618445683 565300147 /nfs/dbraw/zinc/30/01/47/565300147.db2.gz WPWJIPZDHDBUTR-UHFFFAOYSA-N 0 0 391.243 2.977 20 5 GFBDRN COc1ccc(Cn2cc(Br)c3ncncc3c2=O)cc1[N+](=O)[O-] ZINC000618645000 565308653 /nfs/dbraw/zinc/30/86/53/565308653.db2.gz YEGKCCNTOGWFOY-UHFFFAOYSA-N 0 0 391.181 2.519 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000593132603 565315406 /nfs/dbraw/zinc/31/54/06/565315406.db2.gz DJTLEBAGGHVMOZ-SECBINFHSA-N 0 0 381.186 2.596 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc[nH]c1=O ZINC000619775473 565358553 /nfs/dbraw/zinc/35/85/53/565358553.db2.gz KJIZQKYXCQBUFW-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN CCC(C)(C)N1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000594474532 565392423 /nfs/dbraw/zinc/39/24/23/565392423.db2.gz KGAXDNIBJVMHDH-UHFFFAOYSA-N 0 0 375.878 2.743 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486811 565395566 /nfs/dbraw/zinc/39/55/66/565395566.db2.gz IYASIUNNGKHVEV-WCQYABFASA-N 0 0 382.360 2.682 20 5 GFBDRN COC1CC(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000594790123 565421694 /nfs/dbraw/zinc/42/16/94/565421694.db2.gz RZFHCJAYZDCWCC-UHFFFAOYSA-N 0 0 382.360 2.707 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818145 565425202 /nfs/dbraw/zinc/42/52/02/565425202.db2.gz IGFTYCHIVJLCOE-ZDUSSCGKSA-N 0 0 382.360 2.763 20 5 GFBDRN C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853318 565430550 /nfs/dbraw/zinc/43/05/50/565430550.db2.gz XLSZDHQYMACDDG-BXKDBHETSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1c(Br)c(=O)n(CCC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000594894820 565434422 /nfs/dbraw/zinc/43/44/22/565434422.db2.gz GURJCHADUYVMQH-UHFFFAOYSA-N 0 0 394.225 2.881 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000595367212 565469414 /nfs/dbraw/zinc/46/94/14/565469414.db2.gz JTMUMEPOYQJVEV-RKDXNWHRSA-N 0 0 381.237 2.559 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000595399351 565473563 /nfs/dbraw/zinc/47/35/63/565473563.db2.gz VPKOBTATILEVMV-QWRGUYRKSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000595414890 565476070 /nfs/dbraw/zinc/47/60/70/565476070.db2.gz HLKLVISLEJGAPX-BONVTDFDSA-N 0 0 378.397 2.645 20 5 GFBDRN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cc(Br)ccc21 ZINC000595766347 565491579 /nfs/dbraw/zinc/49/15/79/565491579.db2.gz TVVRFGMJZZFEON-CYBMUJFWSA-N 0 0 395.257 2.713 20 5 GFBDRN O=C(CN1CCO[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595884725 565496818 /nfs/dbraw/zinc/49/68/18/565496818.db2.gz BKXLPCVHHILQLF-SNVBAGLBSA-N 0 0 381.738 2.840 20 5 GFBDRN CC1(C)Cc2n[nH]cc2CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000596004996 565506110 /nfs/dbraw/zinc/50/61/10/565506110.db2.gz CCYBUHCMUGMLAB-UHFFFAOYSA-N 0 0 384.845 2.745 20 5 GFBDRN Cc1nn(C)c(N2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596454184 565525244 /nfs/dbraw/zinc/52/52/44/565525244.db2.gz NAPOGSMMYMURLQ-UHFFFAOYSA-N 0 0 380.246 2.726 20 5 GFBDRN COC(=O)C(C)(C)n1cc(Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000596517622 565526297 /nfs/dbraw/zinc/52/62/97/565526297.db2.gz AASCBFMBWQKPIU-UHFFFAOYSA-N 0 0 384.190 2.601 20 5 GFBDRN Cc1c(NC(=O)Cc2nnn(C(C)(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000597611626 565567827 /nfs/dbraw/zinc/56/78/27/565567827.db2.gz XSIYKWPQLDJMHF-UHFFFAOYSA-N 0 0 397.233 2.588 20 5 GFBDRN CNc1nccc(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c1[N+](=O)[O-] ZINC000597962820 565584872 /nfs/dbraw/zinc/58/48/72/565584872.db2.gz GXCGGVPTNNNODH-UHFFFAOYSA-N 0 0 381.219 2.959 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000597994800 565587349 /nfs/dbraw/zinc/58/73/49/565587349.db2.gz KXQVQGHHQQCJRW-UHFFFAOYSA-N 0 0 384.223 2.598 20 5 GFBDRN COc1ncc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C)c1Br ZINC000598021119 565589354 /nfs/dbraw/zinc/58/93/54/565589354.db2.gz NTBQENBBZWBQIY-UHFFFAOYSA-N 0 0 398.217 2.640 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(N)=O)cs1 ZINC000598246516 565604900 /nfs/dbraw/zinc/60/49/00/565604900.db2.gz QYUMTRQZFAGTBH-UHFFFAOYSA-N 0 0 380.451 2.582 20 5 GFBDRN CC(C)(C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1 ZINC000598396864 565614237 /nfs/dbraw/zinc/61/42/37/565614237.db2.gz COIJIEJYIBZPDU-LBPRGKRZSA-N 0 0 387.223 2.683 20 5 GFBDRN C[C@]1(C(F)F)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000598570306 565627442 /nfs/dbraw/zinc/62/74/42/565627442.db2.gz DIVDOKAJNAFCON-CQSZACIVSA-N 0 0 393.184 2.782 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOc2cc(Br)ccc21 ZINC000598867747 565646910 /nfs/dbraw/zinc/64/69/10/565646910.db2.gz QLSXJCYIABDDMR-UHFFFAOYSA-N 0 0 395.213 2.678 20 5 GFBDRN Cc1c(Br)c(N2CCn3c(nnc3C(F)F)C2)ncc1[N+](=O)[O-] ZINC000598932668 565650404 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386.221 2.616 20 5 GFBDRN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599987823 565709078 /nfs/dbraw/zinc/70/90/78/565709078.db2.gz RKCIZBRFKSZRNW-ABAIWWIYSA-N 0 0 383.242 2.884 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000600046558 565711609 /nfs/dbraw/zinc/71/16/09/565711609.db2.gz JRWXYWFHFXHMSK-VIFPVBQESA-N 0 0 390.184 2.523 20 5 GFBDRN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600595540 565738491 /nfs/dbraw/zinc/73/84/91/565738491.db2.gz QIBKHPPPOXRJDO-WCQYABFASA-N 0 0 393.241 2.958 20 5 GFBDRN Cc1cc(C)c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(Br)c1 ZINC000600666685 565743405 /nfs/dbraw/zinc/74/34/05/565743405.db2.gz BGTKDTRIMBSDGI-UHFFFAOYSA-N 0 0 389.231 2.508 20 5 GFBDRN Cc1c(Br)c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000601235518 565771729 /nfs/dbraw/zinc/77/17/29/565771729.db2.gz UGQDXFPRXFVMBU-JGVFFNPUSA-N 0 0 384.152 2.668 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CCC3(CCSCC3)CC2)c([N+](=O)[O-])c1 ZINC000601216798 565772076 /nfs/dbraw/zinc/77/20/76/565772076.db2.gz QVRBDPHDFCNLCP-UHFFFAOYSA-N 0 0 385.511 2.617 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000601470131 565785858 /nfs/dbraw/zinc/78/58/58/565785858.db2.gz ZNCBQAFLGVMOPV-CBAPKCEASA-N 0 0 388.389 2.695 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601806230 565804653 /nfs/dbraw/zinc/80/46/53/565804653.db2.gz ALLKUONVEZRIAY-JTQLQIEISA-N 0 0 379.157 2.854 20 5 GFBDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602470197 565849989 /nfs/dbraw/zinc/84/99/89/565849989.db2.gz XHVKIGIKCQSUCC-MRVPVSSYSA-N 0 0 385.305 2.674 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602605868 565857218 /nfs/dbraw/zinc/85/72/18/565857218.db2.gz UCGZMFTWFPBBBA-KCJUWKMLSA-N 0 0 393.259 2.571 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CC[C@H](Nc3ncccn3)C2)cc1Br ZINC000602702057 565863510 /nfs/dbraw/zinc/86/35/10/565863510.db2.gz NEYALEIMOBVQKR-VIFPVBQESA-N 0 0 384.259 2.895 20 5 GFBDRN Cn1cc(Br)c(=NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000603043609 565882711 /nfs/dbraw/zinc/88/27/11/565882711.db2.gz LTMWXUYSBZHQIS-UHFFFAOYSA-N 0 0 394.229 2.709 20 5 GFBDRN NC(=O)[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000603552819 565910158 /nfs/dbraw/zinc/91/01/58/565910158.db2.gz UKSFJXYRLGBHAX-SECBINFHSA-N 0 0 379.214 2.607 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000603816046 565916635 /nfs/dbraw/zinc/91/66/35/565916635.db2.gz RPPFOYADTKKBTI-UHFFFAOYSA-N 0 0 384.223 2.598 20 5 GFBDRN NS(=O)(=O)c1c(NCc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000603929581 565919346 /nfs/dbraw/zinc/91/93/46/565919346.db2.gz ARJJPVWJDLZWRA-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000604443805 565929323 /nfs/dbraw/zinc/92/93/23/565929323.db2.gz QWQBLGGEAJZMDG-UHFFFAOYSA-N 0 0 390.845 2.602 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCOc2ccccc21 ZINC000609027040 566028980 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O=[N+]([O-])c1ncccc1S(=O)(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000610211876 566071333 /nfs/dbraw/zinc/07/13/33/566071333.db2.gz DYMKYGIWQSSJMA-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN CCOC(=O)c1[nH]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610231470 566071377 /nfs/dbraw/zinc/07/13/77/566071377.db2.gz ZNJDOJCVFQXFMQ-UHFFFAOYSA-N 0 0 397.185 2.818 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000610267595 566074597 /nfs/dbraw/zinc/07/45/97/566074597.db2.gz OXMSTRCALFMPBN-IUCAKERBSA-N 0 0 395.300 2.872 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@H]1C(F)(F)F ZINC000610571190 566088550 /nfs/dbraw/zinc/08/85/50/566088550.db2.gz PSQVONCJGMTFCM-JTQLQIEISA-N 0 0 383.120 2.761 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC(F)(F)C2)c1 ZINC000610785461 566099217 /nfs/dbraw/zinc/09/92/17/566099217.db2.gz VQZWDSXCGBLLBM-QMMMGPOBSA-N 0 0 385.186 2.823 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H](CCO)C1 ZINC000611022771 566111166 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381.738 2.763 20 5 GFBDRN COC(=O)[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000611571911 566137265 /nfs/dbraw/zinc/13/72/65/566137265.db2.gz UDAYLOXDFVICSZ-CQSZACIVSA-N 0 0 399.241 2.844 20 5 GFBDRN COC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000611876120 566144025 /nfs/dbraw/zinc/14/40/25/566144025.db2.gz AMWDINMYNAWPCF-UHFFFAOYSA-N 0 0 394.181 2.720 20 5 GFBDRN Cc1nccc([C@H]2CCCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)n1 ZINC000611921626 566145685 /nfs/dbraw/zinc/14/56/85/566145685.db2.gz UBDNEVWSKLPIIX-NSHDSACASA-N 0 0 382.467 2.542 20 5 GFBDRN COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000613466627 566199335 /nfs/dbraw/zinc/19/93/35/566199335.db2.gz YNRRUTXEINGIQN-UHFFFAOYSA-N 0 0 386.451 2.803 20 5 GFBDRN Cc1c(C(=O)O[C@@H](C)COc2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000737209421 598882188 /nfs/dbraw/zinc/88/21/88/598882188.db2.gz OPHKQICQFOTNJQ-NSHDSACASA-N 0 0 383.364 2.708 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl 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O=[N+]([O-])c1cnc(NCCCc2nc3c(s2)CCCC3)c(-c2nn[nH]n2)c1 ZINC000738373395 598422688 /nfs/dbraw/zinc/42/26/88/598422688.db2.gz BRDLSSHOARJSSK-UHFFFAOYSA-N 0 0 386.441 2.550 20 5 GFBDRN COc1ccc(COCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000737098306 598456335 /nfs/dbraw/zinc/45/63/35/598456335.db2.gz UJROQNMBNWVEJS-UHFFFAOYSA-N 0 0 384.396 2.802 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(CCc3ccc(O)cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738368609 598498892 /nfs/dbraw/zinc/49/88/92/598498892.db2.gz FVIYKWICKHQCAD-UHFFFAOYSA-N 0 0 395.423 2.725 20 5 GFBDRN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736482168 598568161 /nfs/dbraw/zinc/56/81/61/598568161.db2.gz VYAVBORPQKKFQC-UHFFFAOYSA-N 0 0 384.371 2.966 20 5 GFBDRN CCNc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736581031 598703117 /nfs/dbraw/zinc/70/31/17/598703117.db2.gz LJCVJXKZKONQGJ-UHFFFAOYSA-N 0 0 386.343 2.703 20 5 GFBDRN Nc1sc2c(c1-c1nn[nH]n1)CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000737775977 598743565 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HSOPWFILIJCMGV-NSHDSACASA-N 0 0 384.421 2.744 20 5 GFBDRN CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821418099 599542776 /nfs/dbraw/zinc/54/27/76/599542776.db2.gz WCSDCUZDZVHIMQ-NSHDSACASA-N 0 0 382.380 2.665 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@@H](c4ccco4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645956 599548445 /nfs/dbraw/zinc/54/84/45/599548445.db2.gz XRIIFOBPXGMAPG-LLVKDONJSA-N 0 0 377.364 2.910 20 5 GFBDRN O=C(COc1ccccc1-c1nn[nH]n1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823055182 599695373 /nfs/dbraw/zinc/69/53/73/599695373.db2.gz KEJGCTQMWZBYNN-UHFFFAOYSA-N 0 0 389.755 2.551 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000822472417 607397564 /nfs/dbraw/zinc/39/75/64/607397564.db2.gz SBLZTCLAJCWIQP-UHFFFAOYSA-N 0 0 383.368 2.518 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821749839 607420641 /nfs/dbraw/zinc/42/06/41/607420641.db2.gz ZSPHWFZYDKPBCH-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN O=[N+]([O-])c1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ccc1-c1nn[nH]n1 ZINC000826497945 607452347 /nfs/dbraw/zinc/45/23/47/607452347.db2.gz ACARVGRMIWOUOY-OAHLLOKOSA-N 0 0 394.391 2.888 20 5 GFBDRN C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000827443071 601381512 /nfs/dbraw/zinc/38/15/12/601381512.db2.gz YBMBWQQLCHRVBA-GHMZBOCLSA-N 0 0 392.437 2.698 20 5 GFBDRN C[C@@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000828494639 601681035 /nfs/dbraw/zinc/68/10/35/601681035.db2.gz QCSPYSSIBTYGNC-YJYMSZOUSA-N 0 0 397.431 2.910 20 5 GFBDRN O=[N+]([O-])c1ccccc1CN(CCOc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000826500046 607524628 /nfs/dbraw/zinc/52/46/28/607524628.db2.gz JENXTUZHCRSYGH-UHFFFAOYSA-N 0 0 380.408 2.818 20 5 GFBDRN CC(C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824255826 607552394 /nfs/dbraw/zinc/55/23/94/607552394.db2.gz ZQGGYPCRXWRRRY-GOSISDBHSA-N 0 0 382.424 2.971 20 5 GFBDRN Cc1noc(C)c1CN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833022043 602253643 /nfs/dbraw/zinc/25/36/43/602253643.db2.gz YIKQEGKMICWVJT-UHFFFAOYSA-N 0 0 394.815 2.873 20 5 GFBDRN Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584055765 602315392 /nfs/dbraw/zinc/31/53/92/602315392.db2.gz QJBDKYWLTBMSCD-UHFFFAOYSA-N 0 0 377.441 2.540 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000826498977 607567651 /nfs/dbraw/zinc/56/76/51/607567651.db2.gz QSVQTTOVBVICCQ-CQSZACIVSA-N 0 0 380.364 2.845 20 5 GFBDRN Cc1c(NC(=O)CC[N@@H+](C)C2CCC(NC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000829881105 603837220 /nfs/dbraw/zinc/83/72/20/603837220.db2.gz QZLNXNRDEQQXMZ-UHFFFAOYSA-N 0 0 378.429 2.742 20 5 GFBDRN COc1ccc(OCC[NH+]2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829499728 604037167 /nfs/dbraw/zinc/03/71/67/604037167.db2.gz CCHWMMBJTLMMEY-INIZCTEOSA-N 0 0 393.440 2.837 20 5 GFBDRN O=C([O-])/C=C\c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000833195258 604646012 /nfs/dbraw/zinc/64/60/12/604646012.db2.gz DRKXGCJFSPJANW-KQMYVOCESA-N 0 0 389.452 2.872 20 5 GFBDRN CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916793 605469092 /nfs/dbraw/zinc/46/90/92/605469092.db2.gz RPZFVBOAWWHEFM-UHFFFAOYSA-N 0 0 389.412 2.999 20 5 GFBDRN Cn1cc(C[NH2+]C[C@@]2(C)CCCN(C(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833946094 605536360 /nfs/dbraw/zinc/53/63/60/605536360.db2.gz HJLGURFVWFETSP-LJQANCHMSA-N 0 0 387.440 2.865 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2cccs2)c(-c2nn[nH]n2)c1 ZINC000823639818 606201177 /nfs/dbraw/zinc/20/11/77/606201177.db2.gz HUJBOHREHMVOCR-XHDPSFHLSA-N 0 0 386.437 2.929 20 5 GFBDRN O=C(Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823347458 606270854 /nfs/dbraw/zinc/27/08/54/606270854.db2.gz YMUXLUWBWXRWPO-UHFFFAOYSA-N 0 0 383.343 2.741 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000822271205 606638645 /nfs/dbraw/zinc/63/86/45/606638645.db2.gz QKAVNVCROZPDCN-OAHLLOKOSA-N 0 0 393.407 2.609 20 5 GFBDRN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821596607 606704909 /nfs/dbraw/zinc/70/49/09/606704909.db2.gz PNWUCBDXDAAPEO-WMLDXEAASA-N 0 0 395.423 2.774 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCc1coc(-c2ccc(F)cc2)n1 ZINC000823625168 606707668 /nfs/dbraw/zinc/70/76/68/606707668.db2.gz RWGYTXOYPIRESI-UHFFFAOYSA-N 0 0 396.342 2.619 20 5 GFBDRN Cc1ccnc(-c2ccc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cc2)n1 ZINC000822374307 606711419 /nfs/dbraw/zinc/71/14/19/606711419.db2.gz QDVVWOMXROEFNM-UHFFFAOYSA-N 0 0 375.352 2.679 20 5 GFBDRN CO[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821679241 606712237 /nfs/dbraw/zinc/71/22/37/606712237.db2.gz YWYHJMLZKFYYKP-GFCCVEGCSA-N 0 0 375.776 2.623 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCOc2ccc(C(F)(F)F)cn2)c(-c2nn[nH]n2)c1 ZINC000823639851 606723571 /nfs/dbraw/zinc/72/35/71/606723571.db2.gz JBGWWGLEKFHOIB-UHFFFAOYSA-N 0 0 395.301 2.680 20 5 GFBDRN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823414089 606759474 /nfs/dbraw/zinc/75/94/74/606759474.db2.gz SBSBIRCXVJUMFD-UHFFFAOYSA-N 0 0 379.254 2.549 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823041395 606771310 /nfs/dbraw/zinc/77/13/10/606771310.db2.gz ZYSXESKRAZQICW-UHFFFAOYSA-N 0 0 390.359 2.946 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H](CCO)CC1 ZINC000817152284 660184207 /nfs/dbraw/zinc/18/42/07/660184207.db2.gz XNVBGEMMZBFAOR-JTQLQIEISA-N 0 0 380.825 2.561 20 5 GFBDRN CN(Cc1ccccc1Br)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821614498 607162755 /nfs/dbraw/zinc/16/27/55/607162755.db2.gz IQNYXBFJSZALBZ-UHFFFAOYSA-N 0 0 390.201 2.569 20 5 GFBDRN O=[N+]([O-])c1ccc(N(Cc2cc[nH]n2)Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000826498293 607987611 /nfs/dbraw/zinc/98/76/11/607987611.db2.gz OQERDXAJGHVSLE-UHFFFAOYSA-N 0 0 376.380 2.705 20 5 GFBDRN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(-c2nn[nH]n2)cc1 ZINC000824513966 608105387 /nfs/dbraw/zinc/10/53/87/608105387.db2.gz KYIHFJMAKDZAKU-JTQLQIEISA-N 0 0 377.364 2.747 20 5 GFBDRN COCc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826164470 608161047 /nfs/dbraw/zinc/16/10/47/608161047.db2.gz BOHWNGSQPASOEL-UHFFFAOYSA-N 0 0 388.771 2.827 20 5 GFBDRN O=C(CC[C@@H]1CCCCO1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826405563 608161506 /nfs/dbraw/zinc/16/15/06/608161506.db2.gz KMYVWAMSPBWXQZ-JTQLQIEISA-N 0 0 380.792 2.716 20 5 GFBDRN CCCCCCOCC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000825271905 608163125 /nfs/dbraw/zinc/16/31/25/608163125.db2.gz QBVUVMGCLRBHAH-UHFFFAOYSA-N 0 0 382.808 2.964 20 5 GFBDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000825958339 608229208 /nfs/dbraw/zinc/22/92/08/608229208.db2.gz SFTMSTGIKBAYFP-UHFFFAOYSA-N 0 0 389.375 2.595 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826465765 608254528 /nfs/dbraw/zinc/25/45/28/608254528.db2.gz BJBMXBNQNDPVKC-UHFFFAOYSA-N 0 0 376.332 2.680 20 5 GFBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000826152141 608299701 /nfs/dbraw/zinc/29/97/01/608299701.db2.gz ROPAJWMORXWXLD-OAHLLOKOSA-N 0 0 376.323 2.853 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826172434 608373125 /nfs/dbraw/zinc/37/31/25/608373125.db2.gz GKESICURLVFDSN-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826466684 608440728 /nfs/dbraw/zinc/44/07/28/608440728.db2.gz OUJHOLLAWNIECV-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN C[C@@H](NCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000824633358 608468904 /nfs/dbraw/zinc/46/89/04/608468904.db2.gz LOHRLLDGSKPZQB-LLVKDONJSA-N 0 0 392.379 2.676 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473940 608485400 /nfs/dbraw/zinc/48/54/00/608485400.db2.gz UKPWHSIDPALHAH-UHFFFAOYSA-N 0 0 382.405 2.766 20 5 GFBDRN C[C@H](NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000824499037 608537887 /nfs/dbraw/zinc/53/78/87/608537887.db2.gz MUFLBLIGAADJMR-LBPRGKRZSA-N 0 0 393.407 2.824 20 5 GFBDRN C[C@@H](c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770836 608864820 /nfs/dbraw/zinc/86/48/20/608864820.db2.gz NBAXAJDMCXCKHD-ZDUSSCGKSA-N 0 0 397.414 2.797 20 5 GFBDRN O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000826424254 609313781 /nfs/dbraw/zinc/31/37/81/609313781.db2.gz CNGDLMAYRUJBIJ-UHFFFAOYSA-N 0 0 375.348 2.521 20 5 GFBDRN O=C(OCc1ccccc1-c1nn[nH]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466903 609352700 /nfs/dbraw/zinc/35/27/00/609352700.db2.gz YGZMTSQTHSJYCX-UHFFFAOYSA-N 0 0 375.291 2.610 20 5 GFBDRN CCc1[nH]nc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1Br ZINC000473972276 650525943 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GFBDRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1Br ZINC000031931993 551130652 /nfs/dbraw/zinc/13/06/52/551130652.db2.gz AZECJKKCGZUFJB-MRVPVSSYSA-N 0 0 396.197 2.545 20 5 GFBDRN O=C(NCc1ccc(Br)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041950693 551136802 /nfs/dbraw/zinc/13/68/02/551136802.db2.gz JASRKLVELATCME-UHFFFAOYSA-N 0 0 384.211 2.674 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000042566899 551139556 /nfs/dbraw/zinc/13/95/56/551139556.db2.gz QQLTVCOCLCQEKB-UHFFFAOYSA-N 0 0 383.451 2.939 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCSc1ccc(F)cc1 ZINC000046230348 551149611 /nfs/dbraw/zinc/14/96/11/551149611.db2.gz HMIANYBKWKNXEK-UHFFFAOYSA-N 0 0 385.442 2.976 20 5 GFBDRN Cc1sc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000058751624 551183415 /nfs/dbraw/zinc/18/34/15/551183415.db2.gz UGNXDQRLNPHDDO-GFCCVEGCSA-N 0 0 398.238 2.684 20 5 GFBDRN CS(=O)(=O)Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000058734578 551183433 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CCOC(=O)C[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000122085552 551294165 /nfs/dbraw/zinc/29/41/65/551294165.db2.gz RGTSBJNEKQBZHO-JTQLQIEISA-N 0 0 387.230 2.605 20 5 GFBDRN O=C(CCSc1ccccc1Br)NCCn1cc([N+](=O)[O-])cn1 ZINC000122248353 551295989 /nfs/dbraw/zinc/29/59/89/551295989.db2.gz RLDVHTFZFPMNNZ-UHFFFAOYSA-N 0 0 399.270 2.852 20 5 GFBDRN COCCN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Br)n1 ZINC000122554792 551299826 /nfs/dbraw/zinc/29/98/26/551299826.db2.gz FUPFCEJNNGSOBO-UHFFFAOYSA-N 0 0 394.225 2.974 20 5 GFBDRN Cc1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCO2)ccc1F ZINC000122577073 551299888 /nfs/dbraw/zinc/29/98/88/551299888.db2.gz OHYYDGDCFYVMJO-ZDUSSCGKSA-N 0 0 386.426 2.866 20 5 GFBDRN COC(=O)c1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000122789844 551302053 /nfs/dbraw/zinc/30/20/53/551302053.db2.gz YYMZYHOXNAQQOI-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000123286384 551304712 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GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccccc1CO ZINC000126132716 551326403 /nfs/dbraw/zinc/32/64/03/551326403.db2.gz ISUQDSJUBSCAPA-UHFFFAOYSA-N 0 0 379.210 2.709 20 5 GFBDRN O=C(NCCCNc1ccccn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000126337438 551328655 /nfs/dbraw/zinc/32/86/55/551328655.db2.gz HELXYYPMWFJHEE-UHFFFAOYSA-N 0 0 379.214 2.984 20 5 GFBDRN CCOc1cc(Br)ccc1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000127181815 551337739 /nfs/dbraw/zinc/33/77/39/551337739.db2.gz NIXFOCGHYHYUAD-UHFFFAOYSA-N 0 0 398.217 2.774 20 5 GFBDRN Cc1ccn(CC(=O)Nc2nc(-c3cccs3)cs2)c(=O)c1[N+](=O)[O-] ZINC000129696034 551358704 /nfs/dbraw/zinc/35/87/04/551358704.db2.gz MAVQENKCJMIQML-UHFFFAOYSA-N 0 0 376.419 2.889 20 5 GFBDRN Cc1cc(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)ccc1Br ZINC000130041030 551361445 /nfs/dbraw/zinc/36/14/45/551361445.db2.gz OHUAANWKEPLOOY-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN C[C@H](CC[S@](C)=O)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000130132091 551362361 /nfs/dbraw/zinc/36/23/61/551362361.db2.gz 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ZINC000152291254 551430040 /nfs/dbraw/zinc/43/00/40/551430040.db2.gz TWIFZHAGOWTWCL-QMMMGPOBSA-N 0 0 376.594 2.647 20 5 GFBDRN O=C(CN(CCCCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152520947 551435017 /nfs/dbraw/zinc/43/50/17/551435017.db2.gz XORKXYDVIFGVNX-UHFFFAOYSA-N 0 0 386.246 2.533 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(c2nccs2)CC1 ZINC000152889724 551441842 /nfs/dbraw/zinc/44/18/42/551441842.db2.gz KLPSWSSJTUASBJ-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)COc2cc(Br)ccc2Cl)c1 ZINC000154200166 551469608 /nfs/dbraw/zinc/46/96/08/551469608.db2.gz MKEMWFJRIGPOCA-JTQLQIEISA-N 0 0 376.594 2.647 20 5 GFBDRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155326913 551497473 /nfs/dbraw/zinc/49/74/73/551497473.db2.gz FALKUUSCTFYDGR-GJZGRUSLSA-N 0 0 377.194 2.745 20 5 GFBDRN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155555122 551502556 /nfs/dbraw/zinc/50/25/56/551502556.db2.gz OMJHSIYXEFLWMD-LLVKDONJSA-N 0 0 379.722 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551615340 /nfs/dbraw/zinc/61/53/40/551615340.db2.gz RFNXEEQAZJEVMJ-SECBINFHSA-N 0 0 382.360 2.802 20 5 GFBDRN COc1ccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000163036791 551615437 /nfs/dbraw/zinc/61/54/37/551615437.db2.gz OSFUQOOMQDDMBJ-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN CC(=O)N1CCc2sc(C(=O)CSc3ncccc3[N+](=O)[O-])cc2C1 ZINC000163266777 551618261 /nfs/dbraw/zinc/61/82/61/551618261.db2.gz BORGYNAIKWTMPQ-UHFFFAOYSA-N 0 0 377.447 2.931 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000163972753 551623522 /nfs/dbraw/zinc/62/35/22/551623522.db2.gz GCBMJOKPOFWQBU-UHFFFAOYSA-N 0 0 390.197 2.638 20 5 GFBDRN CCc1nn(C)c(CC)c1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000167635592 551633687 /nfs/dbraw/zinc/63/36/87/551633687.db2.gz QSCIONLNFCBNHO-UHFFFAOYSA-N 0 0 386.861 2.585 20 5 GFBDRN Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCO2)o1 ZINC000167752058 551633716 /nfs/dbraw/zinc/63/37/16/551633716.db2.gz XAALKNKWADGQEW-CQSZACIVSA-N 0 0 386.813 2.912 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000171102838 551646864 /nfs/dbraw/zinc/64/68/64/551646864.db2.gz VGGZXLRSLQPEFT-NSHDSACASA-N 0 0 384.845 2.848 20 5 GFBDRN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N1c2ccccc2C[C@H]1C ZINC000171414693 551655203 /nfs/dbraw/zinc/65/52/03/551655203.db2.gz URPKJANQBRDQPJ-SECBINFHSA-N 0 0 379.214 2.840 20 5 GFBDRN Cc1nn(CCC(=O)NCc2sccc2Br)c(C)c1[N+](=O)[O-] ZINC000171444197 551656451 /nfs/dbraw/zinc/65/64/51/551656451.db2.gz LTMWJZILEPUOAB-UHFFFAOYSA-N 0 0 387.259 2.939 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(-n2cccn2)cc1 ZINC000173229960 552080127 /nfs/dbraw/zinc/08/01/27/552080127.db2.gz NFGDTJZRPGHPOA-NSHDSACASA-N 0 0 378.435 2.882 20 5 GFBDRN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173470686 552086091 /nfs/dbraw/zinc/08/60/91/552086091.db2.gz AIFQICIEPCDINN-SECBINFHSA-N 0 0 386.861 2.508 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nccn2-c2cccc(Cl)c2)c1 ZINC000174685950 552108619 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O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[C@H](CO)C1 ZINC000179674348 552199969 /nfs/dbraw/zinc/19/99/69/552199969.db2.gz JUHBTWFNDQTFPY-VIFPVBQESA-N 0 0 385.207 2.542 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)Cc2ncc(Cl)n2C)c1 ZINC000180337830 552223119 /nfs/dbraw/zinc/22/31/19/552223119.db2.gz FLHJRURGHUJRFJ-UHFFFAOYSA-N 0 0 393.252 2.764 20 5 GFBDRN Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181506595 552258653 /nfs/dbraw/zinc/25/86/53/552258653.db2.gz JMBXTYFWIYDUQQ-UHFFFAOYSA-N 0 0 386.861 2.510 20 5 GFBDRN COc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc(OC)c1Br ZINC000181730701 552266455 /nfs/dbraw/zinc/26/64/55/552266455.db2.gz XHQKFEVEDOOIIL-UHFFFAOYSA-N 0 0 399.201 2.518 20 5 GFBDRN Cc1cnc([C@H](C)CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000183357694 552307398 /nfs/dbraw/zinc/30/73/98/552307398.db2.gz QODNRCNEPISGPV-MRVPVSSYSA-N 0 0 382.829 2.872 20 5 GFBDRN O=C(NCCNc1cccc(Br)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183600410 552314524 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GFBDRN CCc1nc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000193297130 552989511 /nfs/dbraw/zinc/98/95/11/552989511.db2.gz HWNIOPWDGGNLNT-UHFFFAOYSA-N 0 0 382.829 2.830 20 5 GFBDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193464633 552994100 /nfs/dbraw/zinc/99/41/00/552994100.db2.gz HFBSABMQKGFNER-VIFPVBQESA-N 0 0 380.198 2.819 20 5 GFBDRN Cc1c(Br)ccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1F ZINC000194187021 553014083 /nfs/dbraw/zinc/01/40/83/553014083.db2.gz GVPWIDAEVZBWPC-UHFFFAOYSA-N 0 0 386.181 2.823 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(c2cccc(Br)c2)CCC1 ZINC000194610720 553025340 /nfs/dbraw/zinc/02/53/40/553025340.db2.gz XQUJQZVBDPSGLB-UHFFFAOYSA-N 0 0 393.241 2.792 20 5 GFBDRN CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000194645118 553026314 /nfs/dbraw/zinc/02/63/14/553026314.db2.gz MCZVDEZFZOWKQQ-UHFFFAOYSA-N 0 0 392.218 2.825 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000195207716 553041391 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563621244 /nfs/dbraw/zinc/62/12/44/563621244.db2.gz DECSVBHGKMJYGK-HXNGOWOSSA-N 0 0 377.260 2.553 20 5 GFBDRN CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000411634998 563626908 /nfs/dbraw/zinc/62/69/08/563626908.db2.gz MQZGMBLPPROGIM-NOZJJQNGSA-N 0 0 384.230 2.847 20 5 GFBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCn1cccc(Br)c1=O ZINC000434648939 563633925 /nfs/dbraw/zinc/63/39/25/563633925.db2.gz QWJLTZAGIGKQNY-UHFFFAOYSA-N 0 0 394.181 2.517 20 5 GFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000288224268 563633884 /nfs/dbraw/zinc/63/38/84/563633884.db2.gz CYQFANMKLMQQHE-BIJGYKBHSA-N 0 0 399.216 2.992 20 5 GFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288655166 563652157 /nfs/dbraw/zinc/65/21/57/563652157.db2.gz ALWKIBFCTQEZHZ-ZDUSSCGKSA-N 0 0 380.706 2.816 20 5 GFBDRN CN(CCNc1ncc(Cl)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000435582275 563653624 /nfs/dbraw/zinc/65/36/24/563653624.db2.gz CHFZOCJXUJKKBT-UHFFFAOYSA-N 0 0 388.808 2.515 20 5 GFBDRN O=C1NCCC[C@H]1COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000412996998 563678980 /nfs/dbraw/zinc/67/89/80/563678980.db2.gz GOIDPSZDXSMPCU-VIFPVBQESA-N 0 0 380.198 2.811 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289699649 563683637 /nfs/dbraw/zinc/68/36/37/563683637.db2.gz OEKJGBBMKZGFSQ-JTQLQIEISA-N 0 0 375.834 2.679 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)c(Cl)cc1Cl ZINC000289736991 563685220 /nfs/dbraw/zinc/68/52/20/563685220.db2.gz FOURQKXKXRRIGY-GZMMTYOYSA-N 0 0 383.253 2.731 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000437212649 563690300 /nfs/dbraw/zinc/69/03/00/563690300.db2.gz GUGRHXWZDQEABM-UHFFFAOYSA-N 0 0 378.435 2.595 20 5 GFBDRN CNS(=O)(=O)c1ccc(N[C@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000413407874 563691483 /nfs/dbraw/zinc/69/14/83/563691483.db2.gz ZYVQCQJOSQSZNU-SECBINFHSA-N 0 0 382.467 2.621 20 5 GFBDRN O=C1CCC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)N1 ZINC000289954491 563692204 /nfs/dbraw/zinc/69/22/04/563692204.db2.gz BOQYWTAIUVYTEC-LLVKDONJSA-N 0 0 381.186 2.672 20 5 GFBDRN Cc1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)n(C)n1 ZINC000289946856 563692231 /nfs/dbraw/zinc/69/22/31/563692231.db2.gz UQTTUOIEVURFEQ-UHFFFAOYSA-N 0 0 386.193 2.531 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000360716333 563694607 /nfs/dbraw/zinc/69/46/07/563694607.db2.gz URGTYUHAHRELFS-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2cccc([C@H]3CCC(=O)N3)c2)s1 ZINC000413568955 563697566 /nfs/dbraw/zinc/69/75/66/563697566.db2.gz ZNGODNJEKNBKLQ-LLVKDONJSA-N 0 0 381.435 2.755 20 5 GFBDRN Cc1cnn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000290727234 563718931 /nfs/dbraw/zinc/71/89/31/563718931.db2.gz NSQRUVITHVJWJE-LBPRGKRZSA-N 0 0 379.214 2.949 20 5 GFBDRN Cc1cnn([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)c1 ZINC000290727233 563719195 /nfs/dbraw/zinc/71/91/95/563719195.db2.gz NSQRUVITHVJWJE-GFCCVEGCSA-N 0 0 379.214 2.949 20 5 GFBDRN CCOC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290833516 563723359 /nfs/dbraw/zinc/72/33/59/563723359.db2.gz UTHWLTAVVQGJQA-JTQLQIEISA-N 0 0 380.825 2.825 20 5 GFBDRN Cc1cnn([C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000291334707 563739125 /nfs/dbraw/zinc/73/91/25/563739125.db2.gz SJPAJDLSHIBMEZ-GFCCVEGCSA-N 0 0 379.214 2.949 20 5 GFBDRN CCOCc1nc([C@H](C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000291345646 563739473 /nfs/dbraw/zinc/73/94/73/563739473.db2.gz XOAQMTISSKOLJC-QMMMGPOBSA-N 0 0 399.201 2.768 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCc2c(Br)cccc2C1 ZINC000364049140 563741565 /nfs/dbraw/zinc/74/15/65/563741565.db2.gz UKAOPXLHFBMHCG-UHFFFAOYSA-N 0 0 379.214 2.529 20 5 GFBDRN C[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000364930912 563768737 /nfs/dbraw/zinc/76/87/37/563768737.db2.gz BNKRLKHOYNRSGX-LJUAHTATSA-N 0 0 379.214 2.682 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292038561 563771276 /nfs/dbraw/zinc/77/12/76/563771276.db2.gz ZBTRVBUXZYILOO-PSLIRLAXSA-N 0 0 386.426 2.776 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000365473205 563784762 /nfs/dbraw/zinc/78/47/62/563784762.db2.gz PYUNSQRACWMZLH-NSHDSACASA-N 0 0 398.192 2.982 20 5 GFBDRN Cc1ccn(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000365561203 563787707 /nfs/dbraw/zinc/78/77/07/563787707.db2.gz XOTMHAPQOPLGGA-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000293445886 563812926 /nfs/dbraw/zinc/81/29/26/563812926.db2.gz VKYWEVBULBGYNJ-LBPRGKRZSA-N 0 0 391.287 2.614 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000367055756 563829348 /nfs/dbraw/zinc/82/93/48/563829348.db2.gz SNETZINEFGKIIK-LSDHHAIUSA-N 0 0 399.241 2.686 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000416457732 563831518 /nfs/dbraw/zinc/83/15/18/563831518.db2.gz OSIGASNOLDWIIL-UWVGGRQHSA-N 0 0 382.360 2.707 20 5 GFBDRN CCCCN(CCCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459555 563832182 /nfs/dbraw/zinc/83/21/82/563832182.db2.gz SGQPZLASFIULHI-UHFFFAOYSA-N 0 0 384.376 2.787 20 5 GFBDRN CC(C)(C)C[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416465488 563833054 /nfs/dbraw/zinc/83/30/54/563833054.db2.gz ZCBHWWGCOSUWLK-JTQLQIEISA-N 0 0 384.376 2.689 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000367194038 563835418 /nfs/dbraw/zinc/83/54/18/563835418.db2.gz YGHMHEFSDAEUNC-NSHDSACASA-N 0 0 382.829 2.607 20 5 GFBDRN CO[C@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416484273 563836475 /nfs/dbraw/zinc/83/64/75/563836475.db2.gz RZMGPWPVTQOJSG-CYBMUJFWSA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000416508246 563840836 /nfs/dbraw/zinc/84/08/36/563840836.db2.gz AMDMREUKIQCYHI-OAHLLOKOSA-N 0 0 390.483 2.707 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000416541518 563846001 /nfs/dbraw/zinc/84/60/01/563846001.db2.gz WIFMAJXJDOKMFW-VIFPVBQESA-N 0 0 383.451 2.588 20 5 GFBDRN O=C(Nc1ccc(-n2cnnn2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445250749 563846117 /nfs/dbraw/zinc/84/61/17/563846117.db2.gz QYSFZQDKSBRIGF-UHFFFAOYSA-N 0 0 395.198 2.647 20 5 GFBDRN Cc1nccnc1CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000294565505 563847302 /nfs/dbraw/zinc/84/73/02/563847302.db2.gz MZVAAKBNFBQTGF-UHFFFAOYSA-N 0 0 379.214 2.737 20 5 GFBDRN O=C(Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1)Nc1ccccc1Br ZINC000445476651 563849881 /nfs/dbraw/zinc/84/98/81/563849881.db2.gz GNZGRVUXDURZIW-UHFFFAOYSA-N 0 0 392.169 2.917 20 5 GFBDRN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601791 563852027 /nfs/dbraw/zinc/85/20/27/563852027.db2.gz WMHJTLFHCOYLFO-APPZFPTMSA-N 0 0 381.273 2.530 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)[C@H](C)O1 ZINC000445745696 563853789 /nfs/dbraw/zinc/85/37/89/563853789.db2.gz UMFCKARFBAWCLK-BBBLOLIVSA-N 0 0 382.360 2.800 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)[C@@H](C)O1 ZINC000445745697 563853850 /nfs/dbraw/zinc/85/38/50/563853850.db2.gz UMFCKARFBAWCLK-KXUCPTDWSA-N 0 0 382.360 2.800 20 5 GFBDRN CN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446952255 563871228 /nfs/dbraw/zinc/87/12/28/563871228.db2.gz MNKPARJKVMRKDW-UHFFFAOYSA-N 0 0 375.200 2.771 20 5 GFBDRN Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCS2 ZINC000368685526 563876871 /nfs/dbraw/zinc/87/68/71/563876871.db2.gz RDRZMAWQACTVIV-UHFFFAOYSA-N 0 0 388.858 2.591 20 5 GFBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H]1CCCS1(=O)=O ZINC000447684634 563884793 /nfs/dbraw/zinc/88/47/93/563884793.db2.gz CFRMIXKACGBFGU-ZETCQYMHSA-N 0 0 389.302 2.633 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1NCc1nc(-c2cccc(Br)c2)no1 ZINC000447815934 563887147 /nfs/dbraw/zinc/88/71/47/563887147.db2.gz HGVZLZKZVRWUHH-UHFFFAOYSA-N 0 0 379.174 2.753 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447942113 563891950 /nfs/dbraw/zinc/89/19/50/563891950.db2.gz TUVWDQSJVLEURR-UHFFFAOYSA-N 0 0 391.858 2.542 20 5 GFBDRN Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc2cccnc21 ZINC000505143360 564178160 /nfs/dbraw/zinc/17/81/60/564178160.db2.gz WJGORWSKOCSXSG-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471088051 564185648 /nfs/dbraw/zinc/18/56/48/564185648.db2.gz CZIXIDLTFSGLHI-LLVKDONJSA-N 0 0 379.766 2.791 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000538285099 564187096 /nfs/dbraw/zinc/18/70/96/564187096.db2.gz QXVCNFCHMYNXON-LBPRGKRZSA-N 0 0 383.813 2.835 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000538285098 564187394 /nfs/dbraw/zinc/18/73/94/564187394.db2.gz QXVCNFCHMYNXON-GFCCVEGCSA-N 0 0 383.813 2.835 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2c(Cl)cccc21 ZINC000471213439 564189197 /nfs/dbraw/zinc/18/91/97/564189197.db2.gz UESGLHHTRJQXEO-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1nc(-c2ccc(Br)s2)no1 ZINC000471523501 564196971 /nfs/dbraw/zinc/19/69/71/564196971.db2.gz UDHXZKDMMBYLHJ-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(Cl)c1 ZINC000472222302 564217351 /nfs/dbraw/zinc/21/73/51/564217351.db2.gz NIFKICJFAIKOAW-ZDUSSCGKSA-N 0 0 384.797 2.962 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cs1 ZINC000540216472 564242612 /nfs/dbraw/zinc/24/26/12/564242612.db2.gz PWDKDFMEEGDPSP-UHFFFAOYSA-N 0 0 382.419 2.503 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000540242534 564243165 /nfs/dbraw/zinc/24/31/65/564243165.db2.gz KPXRKMOBAJYISD-AMIZOPFISA-N 0 0 383.202 2.586 20 5 GFBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000473397514 564246189 /nfs/dbraw/zinc/24/61/89/564246189.db2.gz BCIUVZWIYTWWCL-SECBINFHSA-N 0 0 381.435 2.802 20 5 GFBDRN COC(=O)CN(CCc1ccc(Cl)cc1Cl)c1c([N+](=O)[O-])ncn1C ZINC000540494210 564249729 /nfs/dbraw/zinc/24/97/29/564249729.db2.gz XWDWFIYLYOQNEV-UHFFFAOYSA-N 0 0 387.223 2.857 20 5 GFBDRN COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509145778 564283458 /nfs/dbraw/zinc/28/34/58/564283458.db2.gz HBXUZHVDTJRQPD-UHFFFAOYSA-N 0 0 384.797 2.669 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000565520592 564284782 /nfs/dbraw/zinc/28/47/82/564284782.db2.gz DCNHGFZFJVLKGP-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(c3cccs3)CC2)c1 ZINC000541814854 564289721 /nfs/dbraw/zinc/28/97/21/564289721.db2.gz UKZRJKCEBXMWTE-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000542005385 564298534 /nfs/dbraw/zinc/29/85/34/564298534.db2.gz JHWQPQNOWIYPLL-UHFFFAOYSA-N 0 0 375.690 2.576 20 5 GFBDRN O=[N+]([O-])c1cc(F)ccc1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509519978 564303010 /nfs/dbraw/zinc/30/30/10/564303010.db2.gz BCVWJVMGNCYERC-UHFFFAOYSA-N 0 0 391.783 2.917 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)NC[C@H](O)C(F)F)cc2[N+](=O)[O-])n1 ZINC000475220122 564303184 /nfs/dbraw/zinc/30/31/84/564303184.db2.gz POKWJFZQTLFNEI-JTQLQIEISA-N 0 0 389.405 2.867 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000509729474 564311235 /nfs/dbraw/zinc/31/12/35/564311235.db2.gz POVDPMOSNZBJNS-MRVPVSSYSA-N 0 0 389.792 2.830 20 5 GFBDRN Cc1c(Br)c(SCc2cccc(C(N)=O)n2)ncc1[N+](=O)[O-] ZINC000542508438 564316383 /nfs/dbraw/zinc/31/63/83/564316383.db2.gz XLEFRFXULLKILV-UHFFFAOYSA-N 0 0 383.227 2.847 20 5 GFBDRN CCCCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000543120891 564338632 /nfs/dbraw/zinc/33/86/32/564338632.db2.gz DATQMDYSOYXVFB-ZDUSSCGKSA-N 0 0 386.495 2.503 20 5 GFBDRN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451707540 564341876 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387.223 2.981 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000543899203 564367902 /nfs/dbraw/zinc/36/79/02/564367902.db2.gz SHDFRJMLRNJQBA-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN CS(=O)(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1Cl ZINC000477258296 564370513 /nfs/dbraw/zinc/37/05/13/564370513.db2.gz KOWVPMIMPLFFCR-UHFFFAOYSA-N 0 0 387.776 2.625 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000451955474 564372371 /nfs/dbraw/zinc/37/23/71/564372371.db2.gz PDQCVAWYXHRGAY-CQSZACIVSA-N 0 0 386.426 2.866 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1Cl ZINC000544476839 564386859 /nfs/dbraw/zinc/38/68/59/564386859.db2.gz JRCMPSPIKYUCGV-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)cc1[N+](=O)[O-] ZINC000567781540 564388212 /nfs/dbraw/zinc/38/82/12/564388212.db2.gz IGDNHGSJOGRMKH-KPVUDJQRSA-N 0 0 388.511 2.515 20 5 GFBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000478033640 564394375 /nfs/dbraw/zinc/39/43/75/564394375.db2.gz NEUVIPQSUKMAQB-CQSZACIVSA-N 0 0 387.223 2.944 20 5 GFBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(I)c(O)c1 ZINC000544851847 564401950 /nfs/dbraw/zinc/40/19/50/564401950.db2.gz CPYRDLFYNXZUQG-UHFFFAOYSA-N 0 0 398.156 2.835 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478485454 564404872 /nfs/dbraw/zinc/40/48/72/564404872.db2.gz TVEDRPQGHXJHFK-GFCCVEGCSA-N 0 0 387.223 2.646 20 5 GFBDRN CCc1nc(COc2ccc(I)cc2[N+](=O)[O-])no1 ZINC000478896233 564418371 /nfs/dbraw/zinc/41/83/71/564418371.db2.gz JGFMSBDDIBWUCP-UHFFFAOYSA-N 0 0 375.122 2.724 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000513335590 564426583 /nfs/dbraw/zinc/42/65/83/564426583.db2.gz IDRIBAQXBLEDGO-OAHLLOKOSA-N 0 0 380.447 2.941 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513411111 564429399 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Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH]1 ZINC000513837951 564440041 /nfs/dbraw/zinc/44/00/41/564440041.db2.gz JATJLMISLMLTSE-UHFFFAOYSA-N 0 0 385.161 2.766 20 5 GFBDRN O=C(NCc1c[nH]cn1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000479589911 564444533 /nfs/dbraw/zinc/44/45/33/564444533.db2.gz INOKDFLURCMTDW-UHFFFAOYSA-N 0 0 381.179 2.740 20 5 GFBDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479952743 564455974 /nfs/dbraw/zinc/45/59/74/564455974.db2.gz WZKSRJGZIZXOAO-RYUDHWBXSA-N 0 0 375.878 2.603 20 5 GFBDRN Cc1nc(C)c(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000479983983 564457215 /nfs/dbraw/zinc/45/72/15/564457215.db2.gz PTCNMVBZEHYEQS-UHFFFAOYSA-N 0 0 375.859 2.843 20 5 GFBDRN COc1ccc(CC(=O)N2CCSC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000546726560 564465517 /nfs/dbraw/zinc/46/55/17/564465517.db2.gz PJBMDGGQGQUAMS-ZDUSSCGKSA-N 0 0 379.463 2.919 20 5 GFBDRN Cc1cc(Br)cc(C)c1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546793240 564469134 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GFBDRN CS(=O)(=O)c1cc(C(=O)N2CCSc3ccccc32)cc([N+](=O)[O-])c1 ZINC000516338408 564499768 /nfs/dbraw/zinc/49/97/68/564499768.db2.gz WYGLJNDPZRGUFL-UHFFFAOYSA-N 0 0 378.431 2.751 20 5 GFBDRN Cc1c(Br)c(N2C[C@]3(CCOC3)OC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000481037216 564501834 /nfs/dbraw/zinc/50/18/34/564501834.db2.gz MGCPYNSKSKYCFP-HNNXBMFYSA-N 0 0 386.246 2.835 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000548382894 564550174 /nfs/dbraw/zinc/55/01/74/564550174.db2.gz VQRKPCDIEQSHLH-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN CNc1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000456022150 564584153 /nfs/dbraw/zinc/58/41/53/564584153.db2.gz IJDWYYASFKZQLH-LURJTMIESA-N 0 0 375.332 2.998 20 5 GFBDRN CCN(Cc1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520156467 564597653 /nfs/dbraw/zinc/59/76/53/564597653.db2.gz KZADORSWTAKWKH-UHFFFAOYSA-N 0 0 386.451 2.884 20 5 GFBDRN CC[C@@H]1CN(CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000456377640 564604679 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CNc1c(C(=O)N[C@@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000486670160 564662038 /nfs/dbraw/zinc/66/20/38/564662038.db2.gz JBDKFFBVDIDHOS-QMMMGPOBSA-N 0 0 380.202 2.680 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2nc(N)sc2C1 ZINC000552147694 564679176 /nfs/dbraw/zinc/67/91/76/564679176.db2.gz WBSFHIHVSZKZIL-UWVGGRQHSA-N 0 0 378.479 2.618 20 5 GFBDRN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)S1 ZINC000525203659 564695860 /nfs/dbraw/zinc/69/58/60/564695860.db2.gz HJRKBGHXHLOQAP-UTUOFQBUSA-N 0 0 383.495 2.613 20 5 GFBDRN O=C(Nc1ccc(F)cc1)[C@H]1CSCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000488142543 564704370 /nfs/dbraw/zinc/70/43/70/564704370.db2.gz MONOBQJSSYKPFP-GFCCVEGCSA-N 0 0 381.410 2.949 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525688070 564705690 /nfs/dbraw/zinc/70/56/90/564705690.db2.gz NMOVVMPUIXBZAU-RYUDHWBXSA-N 0 0 398.238 2.587 20 5 GFBDRN Cc1nc(N[C@H]2CN(c3ccc(Br)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000488718091 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CC1(C)CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000562847081 565045456 /nfs/dbraw/zinc/04/54/56/565045456.db2.gz FQGGCHHENOTJKR-SNVBAGLBSA-N 0 0 384.230 2.991 20 5 GFBDRN C[C@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000537147383 565053879 /nfs/dbraw/zinc/05/38/79/565053879.db2.gz MWKAYHDWRMZDQH-NSHDSACASA-N 0 0 394.225 2.787 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nccnc3c2Br)n1 ZINC000584744955 565094815 /nfs/dbraw/zinc/09/48/15/565094815.db2.gz RCHYWAAJDQUJHI-UHFFFAOYSA-N 0 0 391.185 2.769 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000586772013 565115911 /nfs/dbraw/zinc/11/59/11/565115911.db2.gz HOOHCXXQESXVGQ-TVQRCGJNSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000588144602 565128688 /nfs/dbraw/zinc/12/86/88/565128688.db2.gz OXPBRKQOHZXTRO-CYBMUJFWSA-N 0 0 384.841 2.611 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000614857924 565136481 /nfs/dbraw/zinc/13/64/81/565136481.db2.gz NIFHIWVNWDMVLI-ZDUSSCGKSA-N 0 0 382.360 2.635 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000614857403 565136601 /nfs/dbraw/zinc/13/66/01/565136601.db2.gz BNVVGZCTQUVXNK-ZDUSSCGKSA-N 0 0 382.360 2.635 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000588906698 565143661 /nfs/dbraw/zinc/14/36/61/565143661.db2.gz FROZQFBVNPCZHU-UHFFFAOYSA-N 0 0 382.419 2.527 20 5 GFBDRN Cc1ccc(Oc2nccc(C(N)=O)c2[N+](=O)[O-])c(I)c1 ZINC000589578758 565166695 /nfs/dbraw/zinc/16/66/95/565166695.db2.gz LIEHIQTWQYFGRM-UHFFFAOYSA-N 0 0 399.144 2.794 20 5 GFBDRN Cc1cc(N2CCN(C[C@@H]3CCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616052817 565187244 /nfs/dbraw/zinc/18/72/44/565187244.db2.gz OLRXXOCYTYZODC-ZDUSSCGKSA-N 0 0 384.274 2.967 20 5 GFBDRN Cc1cc(N2CCC(S(C)(=O)=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616062211 565187419 /nfs/dbraw/zinc/18/74/19/565187419.db2.gz UKTGJBCNDGYMGS-UHFFFAOYSA-N 0 0 377.260 2.679 20 5 GFBDRN O=c1cc2ccc(Br)cn2n1CCOc1ccccc1[N+](=O)[O-] ZINC000590585421 565192872 /nfs/dbraw/zinc/19/28/72/565192872.db2.gz ZZMJEVGYHYKUFZ-UHFFFAOYSA-N 0 0 378.182 2.851 20 5 GFBDRN Cc1cnc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(Br)c1 ZINC000591163703 565217471 /nfs/dbraw/zinc/21/74/71/565217471.db2.gz RPICGJLYQRXUGM-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000592005956 565247301 /nfs/dbraw/zinc/24/73/01/565247301.db2.gz INRBKGZAMDRBCR-ZJUUUORDSA-N 0 0 390.483 2.982 20 5 GFBDRN CC(C)(C)OC(=O)C1(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592087431 565253991 /nfs/dbraw/zinc/25/39/91/565253991.db2.gz QAAQNZMQYKNKCI-UHFFFAOYSA-N 0 0 390.483 2.789 20 5 GFBDRN NC(=O)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1F ZINC000618399509 565298808 /nfs/dbraw/zinc/29/88/08/565298808.db2.gz XPEMMKIFFWSYAK-UHFFFAOYSA-N 0 0 388.174 2.909 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000619252710 565333173 /nfs/dbraw/zinc/33/31/73/565333173.db2.gz NULZLPNSXHRIBJ-CHWSQXEVSA-N 0 0 387.864 2.985 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000619486929 565343191 /nfs/dbraw/zinc/34/31/91/565343191.db2.gz KRIQWSXVFQVZND-ZDUSSCGKSA-N 0 0 383.451 2.798 20 5 GFBDRN CC[C@@](C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)cs1 ZINC000619486677 565343658 /nfs/dbraw/zinc/34/36/58/565343658.db2.gz PFEAFBFQINDBIH-OAHLLOKOSA-N 0 0 385.467 2.972 20 5 GFBDRN COCC1(CS(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000593572235 565344188 /nfs/dbraw/zinc/34/41/88/565344188.db2.gz GHTMATBCLNQMHC-UHFFFAOYSA-N 0 0 376.862 2.527 20 5 GFBDRN CC[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593669838 565355333 /nfs/dbraw/zinc/35/53/33/565355333.db2.gz BIQNAEXIWQPJCZ-SNVBAGLBSA-N 0 0 378.472 2.706 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000619746159 565357175 /nfs/dbraw/zinc/35/71/75/565357175.db2.gz FRHQSRBMHPEVJI-UHFFFAOYSA-N 0 0 379.822 2.839 20 5 GFBDRN CCOC(=O)CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594482244 565394359 /nfs/dbraw/zinc/39/43/59/565394359.db2.gz RIFKNCGLVIAKTI-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN COC(=O)[C@]12CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000594588286 565402139 /nfs/dbraw/zinc/40/21/39/565402139.db2.gz BRMXUEXXZDUKEG-MEBBXXQBSA-N 0 0 384.230 2.922 20 5 GFBDRN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754691 565415877 /nfs/dbraw/zinc/41/58/77/565415877.db2.gz BKGWQDPUFSAPIQ-UHFFFAOYSA-N 0 0 385.829 2.733 20 5 GFBDRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])CCC2 ZINC000594764290 565417159 /nfs/dbraw/zinc/41/71/59/565417159.db2.gz JKXXOPGQAMDOHN-NSHDSACASA-N 0 0 382.467 2.707 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000594845108 565428587 /nfs/dbraw/zinc/42/85/87/565428587.db2.gz JWGUZKFYWRWNML-HTQZYQBOSA-N 0 0 383.253 2.539 20 5 GFBDRN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594871368 565433733 /nfs/dbraw/zinc/43/37/33/565433733.db2.gz ZHUOEDXAGYTZGI-RDDDGLTNSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973723 565438517 /nfs/dbraw/zinc/43/85/17/565438517.db2.gz DNZWMVDFEJTNQZ-YPMHNXCESA-N 0 0 381.479 2.774 20 5 GFBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1sc2c(c1Br)CNC2 ZINC000595250472 565458376 /nfs/dbraw/zinc/45/83/76/565458376.db2.gz SXFRKDGZKYQRRT-UHFFFAOYSA-N 0 0 396.266 2.995 20 5 GFBDRN C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595380741 565471163 /nfs/dbraw/zinc/47/11/63/565471163.db2.gz CDHVMPRQVFLJIQ-XHDPSFHLSA-N 0 0 384.841 2.691 20 5 GFBDRN C[C@@H]1OCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000595402089 565474875 /nfs/dbraw/zinc/47/48/75/565474875.db2.gz VJXPMWXKRBSAIF-CPCISQLKSA-N 0 0 388.751 2.589 20 5 GFBDRN Cc1noc(CNC(C)(C)COc2ncccc2Br)c1[N+](=O)[O-] ZINC000595406570 565475159 /nfs/dbraw/zinc/47/51/59/565475159.db2.gz DKQJYTWZLGPLLL-UHFFFAOYSA-N 0 0 385.218 2.996 20 5 GFBDRN CCCS(=O)(=O)NC1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596074446 565511767 /nfs/dbraw/zinc/51/17/67/565511767.db2.gz UZDOTYNRLPTCIA-UHFFFAOYSA-N 0 0 391.877 2.555 20 5 GFBDRN COC(=O)C1(COc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000596271298 565517554 /nfs/dbraw/zinc/51/75/54/565517554.db2.gz ZENRBQFQXMTEKX-UHFFFAOYSA-N 0 0 377.134 2.531 20 5 GFBDRN C[C@H](CO)[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598019955 565589585 /nfs/dbraw/zinc/58/95/85/565589585.db2.gz NAEIWGGJCIFJQS-ABAIWWIYSA-N 0 0 385.258 2.909 20 5 GFBDRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598438053 565618330 /nfs/dbraw/zinc/61/83/30/565618330.db2.gz FJZFDXMLWWFHOL-LLVKDONJSA-N 0 0 398.257 2.734 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598619660 565630725 /nfs/dbraw/zinc/63/07/25/565630725.db2.gz SVUIJMAAPQEVQB-MEBBXXQBSA-N 0 0 378.397 2.645 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccco1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599038556 565654451 /nfs/dbraw/zinc/65/44/51/565654451.db2.gz LOYSANQRKYKKEU-SNVBAGLBSA-N 0 0 383.198 2.531 20 5 GFBDRN Cc1nccn1C[C@@H](C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599115026 565657115 /nfs/dbraw/zinc/65/71/15/565657115.db2.gz PYUUIFJHTZFADR-JTQLQIEISA-N 0 0 381.230 2.928 20 5 GFBDRN O=C(CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CCCCCC1 ZINC000599229931 565662508 /nfs/dbraw/zinc/66/25/08/565662508.db2.gz DXXXAAAJBPBVDY-UHFFFAOYSA-N 0 0 398.257 2.880 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000599363829 565672582 /nfs/dbraw/zinc/67/25/82/565672582.db2.gz FUFZCNJPFOBVOX-SNVBAGLBSA-N 0 0 382.360 2.709 20 5 GFBDRN CN(C)C(=O)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000599492296 565685683 /nfs/dbraw/zinc/68/56/83/565685683.db2.gz ZOTKHUBTWTXITF-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN CS(=O)(=O)c1ccc([C@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)cc1 ZINC000599518082 565686948 /nfs/dbraw/zinc/68/69/48/565686948.db2.gz CSQMSTWQFZLQLV-OAHLLOKOSA-N 0 0 382.463 2.633 20 5 GFBDRN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599695516 565696258 /nfs/dbraw/zinc/69/62/58/565696258.db2.gz DYWXQFWIZQDRJD-LLVKDONJSA-N 0 0 399.241 2.815 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676847 565696678 /nfs/dbraw/zinc/69/66/78/565696678.db2.gz HSAXRIDDJUYLDR-OAHLLOKOSA-N 0 0 386.235 2.777 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H](CCF)C1 ZINC000599786430 565701274 /nfs/dbraw/zinc/70/12/74/565701274.db2.gz KVTWOZCTFCYTCU-GFCCVEGCSA-N 0 0 376.182 2.950 20 5 GFBDRN C[C@H]1OCC[C@]12CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599850202 565704888 /nfs/dbraw/zinc/70/48/88/565704888.db2.gz SMTKMCZMTFTKCB-UVWXRNBGSA-N 0 0 399.241 2.766 20 5 GFBDRN Cc1c(NC(=O)C(=O)NCC2CC=CC2)cc(Br)cc1[N+](=O)[O-] ZINC000600010497 565710898 /nfs/dbraw/zinc/71/08/98/565710898.db2.gz JPXRBKDDZQPJLS-UHFFFAOYSA-N 0 0 382.214 2.687 20 5 GFBDRN NC(=O)c1ccc(SCC(=O)N[C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000600439234 565729446 /nfs/dbraw/zinc/72/94/46/565729446.db2.gz KFNVCRZPVIBRFQ-NWDGAFQWSA-N 0 0 377.447 2.520 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600667202 565743426 /nfs/dbraw/zinc/74/34/26/565743426.db2.gz WSZYHOLMPMENOF-UHFFFAOYSA-N 0 0 378.332 2.765 20 5 GFBDRN CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000600804465 565750997 /nfs/dbraw/zinc/75/09/97/565750997.db2.gz JVRODPKQXDWGFM-CYBMUJFWSA-N 0 0 398.257 2.797 20 5 GFBDRN O=[N+]([O-])c1cc(F)cnc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000601103503 565767515 /nfs/dbraw/zinc/76/75/15/565767515.db2.gz AXVMURRRGJVZFD-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN Cn1ncc(Br)c1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601143856 565768729 /nfs/dbraw/zinc/76/87/29/565768729.db2.gz LNXQGGAGADWZQU-UHFFFAOYSA-N 0 0 391.172 2.982 20 5 GFBDRN Cc1nc2c(n1CCO)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000601185738 565770476 /nfs/dbraw/zinc/77/04/76/565770476.db2.gz SYLCVPFNNWSHFI-LLVKDONJSA-N 0 0 395.257 2.824 20 5 GFBDRN COC(=O)c1c(Cl)c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000601235484 565771972 /nfs/dbraw/zinc/77/19/72/565771972.db2.gz SPHXSENJVGNOJM-JGVFFNPUSA-N 0 0 382.722 2.642 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000601309818 565776015 /nfs/dbraw/zinc/77/60/15/565776015.db2.gz IDKPDRSMQKDVCP-SECBINFHSA-N 0 0 388.389 2.697 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000601470130 565786576 /nfs/dbraw/zinc/78/65/76/565786576.db2.gz ZNCBQAFLGVMOPV-APPZFPTMSA-N 0 0 388.389 2.695 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC[C@H]1C(F)F ZINC000601604506 565794307 /nfs/dbraw/zinc/79/43/07/565794307.db2.gz MUPOTBBSHHVHER-VIFPVBQESA-N 0 0 382.104 2.679 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1c(Br)cnn1C ZINC000601746191 565801858 /nfs/dbraw/zinc/80/18/58/565801858.db2.gz NHUUKFMBSJLAJP-UHFFFAOYSA-N 0 0 381.230 2.946 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCCn2nccc21 ZINC000602212175 565830112 /nfs/dbraw/zinc/83/01/12/565830112.db2.gz DQXLAJKMJNPIRM-CYBMUJFWSA-N 0 0 379.214 2.748 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCN(C[C@H]3CCCO3)CC2)cc1Br ZINC000602431938 565847293 /nfs/dbraw/zinc/84/72/93/565847293.db2.gz GWJJHBLLQDYROP-LLVKDONJSA-N 0 0 390.303 2.715 20 5 GFBDRN Cc1nccnc1N1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602653179 565860659 /nfs/dbraw/zinc/86/06/59/565860659.db2.gz BRYRFWOMPLIRPA-UHFFFAOYSA-N 0 0 398.286 2.839 20 5 GFBDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602785780 565867626 /nfs/dbraw/zinc/86/76/26/565867626.db2.gz CKBHIVKDMHGWGE-ZDUSSCGKSA-N 0 0 387.223 2.981 20 5 GFBDRN CSCc1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603234906 565891115 /nfs/dbraw/zinc/89/11/15/565891115.db2.gz FOFNPZFAPZSGGT-UHFFFAOYSA-N 0 0 390.206 2.702 20 5 GFBDRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000603743862 565914761 /nfs/dbraw/zinc/91/47/61/565914761.db2.gz RZDODIHTGCCDMV-UHFFFAOYSA-N 0 0 381.435 2.693 20 5 GFBDRN CCOc1ccc(CN(C)C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000603948313 565919997 /nfs/dbraw/zinc/91/99/97/565919997.db2.gz QGMGWRILKBXCFY-UHFFFAOYSA-N 0 0 397.229 2.611 20 5 GFBDRN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000608838898 566025568 /nfs/dbraw/zinc/02/55/68/566025568.db2.gz COKLGDBDUJULQD-DGCLKSJQSA-N 0 0 378.182 2.744 20 5 GFBDRN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000608859583 566025710 /nfs/dbraw/zinc/02/57/10/566025710.db2.gz RIODVSILKMSUIF-VIFPVBQESA-N 0 0 390.845 2.519 20 5 GFBDRN Cc1occc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609134366 566030952 /nfs/dbraw/zinc/03/09/52/566030952.db2.gz KTPGYODWCFASIP-UHFFFAOYSA-N 0 0 375.200 2.737 20 5 GFBDRN CC(=O)Nc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610266063 566074539 /nfs/dbraw/zinc/07/45/39/566074539.db2.gz LVYCUNYNORKDQN-UHFFFAOYSA-N 0 0 383.813 2.685 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000610338280 566078659 /nfs/dbraw/zinc/07/86/59/566078659.db2.gz GAKODMUXLBVTIQ-QMMMGPOBSA-N 0 0 377.260 2.990 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1C ZINC000610800429 566100013 /nfs/dbraw/zinc/10/00/13/566100013.db2.gz UJOARWFSVZEZFQ-JOYOIKCWSA-N 0 0 382.360 2.552 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3sc(Br)cc3C2)c1[N+](=O)[O-] ZINC000610938101 566107093 /nfs/dbraw/zinc/10/70/93/566107093.db2.gz TXUPDPCSKAHXSW-UHFFFAOYSA-N 0 0 385.243 2.903 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611542724 566135779 /nfs/dbraw/zinc/13/57/79/566135779.db2.gz YXFSWOGTZTWZHU-UWVGGRQHSA-N 0 0 382.360 2.955 20 5 GFBDRN COC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000612562050 566166861 /nfs/dbraw/zinc/16/68/61/566166861.db2.gz WKPHBIZNWORLQZ-UHFFFAOYSA-N 0 0 382.170 2.735 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2COc3c2cccc3Cl)cc1 ZINC000612576216 566167258 /nfs/dbraw/zinc/16/72/58/566167258.db2.gz ZBEJSXPJHJTDHL-OAHLLOKOSA-N 0 0 382.825 2.745 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000612792629 566175377 /nfs/dbraw/zinc/17/53/77/566175377.db2.gz SNXYOPYRGAWWFE-AOOOYVTPSA-N 0 0 392.277 2.956 20 5 GFBDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000070451376 570485698 /nfs/dbraw/zinc/48/56/98/570485698.db2.gz XMVZWDWKDHDZSU-KRWDZBQOSA-N 0 0 384.367 2.901 20 5 GFBDRN Cc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nn[nH]n1 ZINC000822122575 607255716 /nfs/dbraw/zinc/25/57/16/607255716.db2.gz OKUXPBGMMJDETA-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000737226293 599001534 /nfs/dbraw/zinc/00/15/34/599001534.db2.gz UIQXXBVNTFXKOA-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CC[C@H](CSc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000823646924 599088302 /nfs/dbraw/zinc/08/83/02/599088302.db2.gz DAHZCYAYADCAER-LBPRGKRZSA-N 0 0 383.437 2.789 20 5 GFBDRN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736505319 599182802 /nfs/dbraw/zinc/18/28/02/599182802.db2.gz LQCBTUAIKIVEIH-CYBMUJFWSA-N 0 0 380.408 2.927 20 5 GFBDRN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823237972 599248025 /nfs/dbraw/zinc/24/80/25/599248025.db2.gz GLSXLRLHJYCMGS-UHFFFAOYSA-N 0 0 391.750 2.889 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737192607 598310439 /nfs/dbraw/zinc/31/04/39/598310439.db2.gz USBLXIHGYUQUOG-UHFFFAOYSA-N 0 0 388.384 2.913 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737412113 598458805 /nfs/dbraw/zinc/45/88/05/598458805.db2.gz UOVVFUYWRZFDFN-UHFFFAOYSA-N 0 0 380.412 2.559 20 5 GFBDRN COc1ccc(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000737083571 598495246 /nfs/dbraw/zinc/49/52/46/598495246.db2.gz RNMGVVJSDOOKIY-UHFFFAOYSA-N 0 0 388.771 2.618 20 5 GFBDRN C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000736292532 598500703 /nfs/dbraw/zinc/50/07/03/598500703.db2.gz KDKQONRJPWTQGV-TXEJJXNPSA-N 0 0 396.411 2.527 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCSCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000738367504 598511939 /nfs/dbraw/zinc/51/19/39/598511939.db2.gz STQSINWPABYZIH-UHFFFAOYSA-N 0 0 387.421 2.966 20 5 GFBDRN CC(C)C[C@@H](C)Oc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccn1 ZINC000735760545 598675194 /nfs/dbraw/zinc/67/51/94/598675194.db2.gz CYNQVYNJBUKIEE-GFCCVEGCSA-N 0 0 398.427 2.990 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738236093 598704135 /nfs/dbraw/zinc/70/41/35/598704135.db2.gz SCWPMISCAXGCRP-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000737191697 598705006 /nfs/dbraw/zinc/70/50/06/598705006.db2.gz QOOQWDXXOHAVIU-UHFFFAOYSA-N 0 0 389.368 2.993 20 5 GFBDRN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000736171867 598735658 /nfs/dbraw/zinc/73/56/58/598735658.db2.gz ZCDVMHKMTZYIPL-NEPJUHHUSA-N 0 0 394.391 2.520 20 5 GFBDRN O=[N+]([O-])c1c(N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)nc2sccn21 ZINC000738357142 598816004 /nfs/dbraw/zinc/81/60/04/598816004.db2.gz CURSAISSDPBERX-UHFFFAOYSA-N 0 0 382.409 2.653 20 5 GFBDRN CCOC(=O)c1ccnc(N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000821343189 599352377 /nfs/dbraw/zinc/35/23/77/599352377.db2.gz LLRUZLNGOJLDOJ-SNVBAGLBSA-N 0 0 383.368 2.520 20 5 GFBDRN C[C@H](COCC(F)(F)F)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820287883 599500787 /nfs/dbraw/zinc/50/07/87/599500787.db2.gz RTLZOYUYRIUTQC-MRVPVSSYSA-N 0 0 397.317 2.702 20 5 GFBDRN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820334246 599508718 /nfs/dbraw/zinc/50/87/18/599508718.db2.gz LZQZEKHTPSAQKT-NSHDSACASA-N 0 0 384.421 2.744 20 5 GFBDRN C[C@@](O)(CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000820468722 599557074 /nfs/dbraw/zinc/55/70/74/599557074.db2.gz WAHHHWCUOPSOND-LJQANCHMSA-N 0 0 391.391 2.643 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3ccccc3)cc(-c3nn[nH]n3)c2c1 ZINC000823645220 599572108 /nfs/dbraw/zinc/57/21/08/599572108.db2.gz PYUPRWZBOVVUPG-MRXNPFEDSA-N 0 0 391.391 2.859 20 5 GFBDRN CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825654293 607448212 /nfs/dbraw/zinc/44/82/12/607448212.db2.gz VSLGMEHGTNKPFS-UHFFFAOYSA-N 0 0 395.423 2.500 20 5 GFBDRN O=[N+]([O-])c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000826498632 607452610 /nfs/dbraw/zinc/45/26/10/607452610.db2.gz DBWNGHRNGREIEK-UHFFFAOYSA-N 0 0 376.380 2.632 20 5 GFBDRN CC(C)OCC[NH+]1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827027258 601335190 /nfs/dbraw/zinc/33/51/90/601335190.db2.gz HFCUHIXZGMZUQI-XQRVVYSFSA-N 0 0 377.441 2.994 20 5 GFBDRN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595888732 601548497 /nfs/dbraw/zinc/54/84/97/601548497.db2.gz GDMNLAMRMAMZAT-SFHVURJKSA-N 0 0 397.387 2.577 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000832958769 601729285 /nfs/dbraw/zinc/72/92/85/601729285.db2.gz TXEWSTXDSRRMEQ-OAQYLSRUSA-N 0 0 397.431 2.752 20 5 GFBDRN Cc1c(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000832849682 601731191 /nfs/dbraw/zinc/73/11/91/601731191.db2.gz OHIQWYXKAJNESF-OAQYLSRUSA-N 0 0 397.431 2.752 20 5 GFBDRN C[C@H]1CCCC[C@]1(CNC(=O)[O-])[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000825894703 603560845 /nfs/dbraw/zinc/56/08/45/603560845.db2.gz JFWHMVLPFTWHCS-KPZWWZAWSA-N 0 0 389.412 2.951 20 5 GFBDRN C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC(NC(=O)[O-])CC1 ZINC000828417242 603836621 /nfs/dbraw/zinc/83/66/21/603836621.db2.gz YGJXVAGHMAOMQL-UHFFFAOYSA-N 0 0 375.385 2.655 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(NC(=O)[O-])CC1 ZINC000830433031 603836990 /nfs/dbraw/zinc/83/69/90/603836990.db2.gz PDZIUPDFFHSZIA-UHFFFAOYSA-N 0 0 378.429 2.742 20 5 GFBDRN O=C(OCCOc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823410009 606151108 /nfs/dbraw/zinc/15/11/08/606151108.db2.gz PPRXYGUFDVYKFU-UHFFFAOYSA-N 0 0 389.755 2.664 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[nH]n2)s1 ZINC000823298967 606511443 /nfs/dbraw/zinc/51/14/43/606511443.db2.gz ATMDAZKPLKHKTJ-UHFFFAOYSA-N 0 0 382.308 2.690 20 5 GFBDRN O=[N+]([O-])c1cc(NCc2ccccc2Cn2cccn2)ccc1-c1nn[nH]n1 ZINC000823634483 606645229 /nfs/dbraw/zinc/64/52/29/606645229.db2.gz HKOJPLMQCALDHA-UHFFFAOYSA-N 0 0 376.380 2.632 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814477 606671864 /nfs/dbraw/zinc/67/18/64/606671864.db2.gz WMQHCJFJBGOXGQ-MRVPVSSYSA-N 0 0 386.318 2.645 20 5 GFBDRN O=[N+]([O-])c1ccc(F)c(NCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)c1 ZINC000823639936 606700473 /nfs/dbraw/zinc/70/04/73/606700473.db2.gz MMKJXCJQDZWHTN-UHFFFAOYSA-N 0 0 382.315 2.576 20 5 GFBDRN COc1cccc(C=C2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c1 ZINC000821863896 606724745 /nfs/dbraw/zinc/72/47/45/606724745.db2.gz QMOXJFNZODCIBJ-UHFFFAOYSA-N 0 0 393.407 2.862 20 5 GFBDRN O=C(COc1cc(Cl)ccc1-c1nn[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823032550 606787502 /nfs/dbraw/zinc/78/75/02/606787502.db2.gz ZBFCLGAZUASWLU-UHFFFAOYSA-N 0 0 392.734 2.585 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822213119 606793559 /nfs/dbraw/zinc/79/35/59/606793559.db2.gz VQYVCIOTSGUQBZ-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(=Cc3ccccc3F)CC2)c(-c2nn[nH]n2)c1 ZINC000823648252 606802669 /nfs/dbraw/zinc/80/26/69/606802669.db2.gz SYYJMKVWEJEKHU-UHFFFAOYSA-N 0 0 381.371 2.993 20 5 GFBDRN CCOC(=O)c1cc(N(C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000821338263 606919049 /nfs/dbraw/zinc/91/90/49/606919049.db2.gz TZPHEBZTKHVUKZ-UHFFFAOYSA-N 0 0 382.380 2.588 20 5 GFBDRN Cc1nn(CN(C)Cc2cccc(-c3nn[nH]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500859 606998813 /nfs/dbraw/zinc/99/88/13/606998813.db2.gz JSSNFWOMSMCRKU-UHFFFAOYSA-N 0 0 378.396 2.523 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CC(c3nc4ccccc4s3)C2)c(-c2nn[nH]n2)c1 ZINC000823640197 607019548 /nfs/dbraw/zinc/01/95/48/607019548.db2.gz WYCICXOGMGNYNT-UHFFFAOYSA-N 0 0 379.405 2.988 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(Br)s1 ZINC000823624981 607168672 /nfs/dbraw/zinc/16/86/72/607168672.db2.gz NGUBJCPYDSMJAK-UHFFFAOYSA-N 0 0 382.203 2.606 20 5 GFBDRN O=C(Oc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000823449789 607244612 /nfs/dbraw/zinc/24/46/12/607244612.db2.gz CRHVMLNEEPRSMZ-UHFFFAOYSA-N 0 0 398.354 2.733 20 5 GFBDRN C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650332 607904388 /nfs/dbraw/zinc/90/43/88/607904388.db2.gz QVTRNVZQDRAEGO-NSHDSACASA-N 0 0 377.368 2.529 20 5 GFBDRN C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000824650331 607904514 /nfs/dbraw/zinc/90/45/14/607904514.db2.gz QVTRNVZQDRAEGO-LLVKDONJSA-N 0 0 377.368 2.529 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(Cc1cn3ccccc3c1-c1nn[nH]n1)C2 ZINC000826499861 607943542 /nfs/dbraw/zinc/94/35/42/607943542.db2.gz BEYFOBDBCSOVMC-UHFFFAOYSA-N 0 0 375.392 2.586 20 5 GFBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccccc1-c1nn[nH]n1 ZINC000826421474 607979768 /nfs/dbraw/zinc/97/97/68/607979768.db2.gz JQOJANRFATXITH-UHFFFAOYSA-N 0 0 378.348 2.542 20 5 GFBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000826421721 608006499 /nfs/dbraw/zinc/00/64/99/608006499.db2.gz VZYNSYRCZAIGCW-UHFFFAOYSA-N 0 0 382.311 2.543 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000826278502 608114931 /nfs/dbraw/zinc/11/49/31/608114931.db2.gz GMAWEWBFCSJDSP-UHFFFAOYSA-N 0 0 390.363 2.521 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825674616 608115498 /nfs/dbraw/zinc/11/54/98/608115498.db2.gz OYANEAZXUSDPMY-UHFFFAOYSA-N 0 0 384.421 2.817 20 5 GFBDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826422325 608143712 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CCNc1scnc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000749371737 655803900 /nfs/dbraw/zinc/80/39/00/655803900.db2.gz SBNIHYCZNNVMMR-UHFFFAOYSA-N 0 0 384.801 2.932 20 5 GFBDRN CS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750069049 655810913 /nfs/dbraw/zinc/81/09/13/655810913.db2.gz BOSDBHXNKCDLEO-UHFFFAOYSA-N 0 0 382.825 2.723 20 5 GFBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751390821 655826238 /nfs/dbraw/zinc/82/62/38/655826238.db2.gz HBOMXNRFQRWKGC-XPTSAGLGSA-N 0 0 388.804 2.788 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000751423131 655826919 /nfs/dbraw/zinc/82/69/19/655826919.db2.gz NNFCCTDNAIJGNS-ZDUSSCGKSA-N 0 0 388.804 2.708 20 5 GFBDRN CN(C(=O)COC(=O)c1occc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000751700895 655833080 /nfs/dbraw/zinc/83/30/80/655833080.db2.gz QIGFMWNOTCKHFR-UHFFFAOYSA-N 0 0 383.154 2.770 20 5 GFBDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000751833349 655834835 /nfs/dbraw/zinc/83/48/35/655834835.db2.gz ALQFYMWZGLNTMF-WDEREUQCSA-N 0 0 384.435 2.628 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCN(C)c3ncccc32)cc1[N+](=O)[O-] ZINC000752195958 655840254 /nfs/dbraw/zinc/84/02/54/655840254.db2.gz BAWXUJMGNPHXHL-UHFFFAOYSA-N 0 0 382.829 2.597 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1Cc2cc(Br)ccc2O1 ZINC000752593009 655844707 /nfs/dbraw/zinc/84/47/07/655844707.db2.gz FAVCXWFJXCDGQA-GFCCVEGCSA-N 0 0 381.182 2.856 20 5 GFBDRN CSCCNC(=S)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000752726082 655845916 /nfs/dbraw/zinc/84/59/16/655845916.db2.gz AKDHOPCBYLDLGC-UHFFFAOYSA-N 0 0 399.376 2.676 20 5 GFBDRN CCOC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(C)(C)C ZINC000753377066 655853333 /nfs/dbraw/zinc/85/33/33/655853333.db2.gz LZFDAXUKFPNAOK-CYBMUJFWSA-N 0 0 392.861 2.813 20 5 GFBDRN Cc1c(Br)cc(C(=O)OCC(=O)N(C)CC2CC2)cc1[N+](=O)[O-] ZINC000753428359 655854254 /nfs/dbraw/zinc/85/42/54/655854254.db2.gz FRWODHVXHTUMCR-UHFFFAOYSA-N 0 0 385.214 2.691 20 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20 5 GFBDRN Cc1ccc(NC(=S)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000757937991 655919131 /nfs/dbraw/zinc/91/91/31/655919131.db2.gz VVCUHGRUKHGKFZ-UHFFFAOYSA-N 0 0 379.463 2.664 20 5 GFBDRN CN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000758465036 655933507 /nfs/dbraw/zinc/93/35/07/655933507.db2.gz HDPXJWVEFXBUOB-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN Cn1nc(Br)cc1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000758482834 655934008 /nfs/dbraw/zinc/93/40/08/655934008.db2.gz PUANMVDHKNNGJD-CQSZACIVSA-N 0 0 397.254 2.979 20 5 GFBDRN O=C(NCCc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1Br ZINC000758876125 655942840 /nfs/dbraw/zinc/94/28/40/655942840.db2.gz JFHPYUAWQQFMOF-UHFFFAOYSA-N 0 0 391.225 2.997 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](CC)C2)cc1Br ZINC000760267272 655974121 /nfs/dbraw/zinc/97/41/21/655974121.db2.gz CPOUULNKTYCJKR-XPTSAGLGSA-N 0 0 387.230 2.741 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cn1C ZINC000760548394 655984588 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C[C@H]1CC[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2I)O1 ZINC000762179526 656035432 /nfs/dbraw/zinc/03/54/32/656035432.db2.gz PCTPFPKLXZREQI-WCBMZHEXSA-N 0 0 391.161 2.924 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(Cl)c1 ZINC000762519802 656045417 /nfs/dbraw/zinc/04/54/17/656045417.db2.gz CXKPBDLMGOLTFK-NTZNESFSSA-N 0 0 394.927 2.906 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1C ZINC000762524312 656046004 /nfs/dbraw/zinc/04/60/04/656046004.db2.gz OTFLPQQPTXJVNP-ZLDLUXBVSA-N 0 0 388.536 2.870 20 5 GFBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762622644 656051834 /nfs/dbraw/zinc/05/18/34/656051834.db2.gz BKGGOGCCJWRUHM-KFWWJZLASA-N 0 0 382.511 2.686 20 5 GFBDRN COc1cc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c([N+](=O)[O-])cc1OC ZINC000762677683 656055167 /nfs/dbraw/zinc/05/51/67/656055167.db2.gz YYJHFTBEJWVDJU-WKPIXPDZSA-N 0 0 384.479 2.721 20 5 GFBDRN C[C@@H](OC(=O)c1ccnc(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000762939457 656065538 /nfs/dbraw/zinc/06/55/38/656065538.db2.gz IBXSHJKIXDTDOV-SECBINFHSA-N 0 0 394.181 2.936 20 5 GFBDRN O=C(COC(=O)c1cccc(Br)n1)Nc1ccccc1[N+](=O)[O-] ZINC000763769064 656092984 /nfs/dbraw/zinc/09/29/84/656092984.db2.gz ZMXVCINTSCQWKG-UHFFFAOYSA-N 0 0 380.154 2.548 20 5 GFBDRN O=C(OC/C(Cl)=C/Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000763924472 656096705 /nfs/dbraw/zinc/09/67/05/656096705.db2.gz ZGEDKPGEEGXPDH-HXOPTJOXSA-N 0 0 377.155 2.949 20 5 GFBDRN Cc1cc([N+](=O)[O-])cn(Cc2nnc(-c3ccc(Br)s3)o2)c1=O ZINC000764592321 656114336 /nfs/dbraw/zinc/11/43/36/656114336.db2.gz YFTZYOBTEUDFKX-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN C[C@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000764596395 656114490 /nfs/dbraw/zinc/11/44/90/656114490.db2.gz JTKYTJZWPTYHTA-JTQLQIEISA-N 0 0 384.435 2.825 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](O)C(F)(F)F ZINC000765743739 656150110 /nfs/dbraw/zinc/15/01/10/656150110.db2.gz 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C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160953195 551587904 /nfs/dbraw/zinc/58/79/04/551587904.db2.gz OPGSRQYBAXQTCP-NSHDSACASA-N 0 0 376.862 2.952 20 5 GFBDRN C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160953314 551587952 /nfs/dbraw/zinc/58/79/52/551587952.db2.gz OPGSRQYBAXQTCP-LLVKDONJSA-N 0 0 376.862 2.952 20 5 GFBDRN COC(=O)CCN(Cc1ccncc1)c1ncc([N+](=O)[O-])cc1Br ZINC000161351437 551593530 /nfs/dbraw/zinc/59/35/30/551593530.db2.gz YNBICFQQBXPDRK-UHFFFAOYSA-N 0 0 395.213 2.717 20 5 GFBDRN O=C(NC[C@@H](O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000166107192 551630620 /nfs/dbraw/zinc/63/06/20/551630620.db2.gz DIXHDDPKZJSLIN-CYBMUJFWSA-N 0 0 395.209 2.527 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC(C1CC1)C1CC1 ZINC000171416368 551654991 /nfs/dbraw/zinc/65/49/91/551654991.db2.gz ZBAZUMAHXDWQIC-UHFFFAOYSA-N 0 0 375.244 2.824 20 5 GFBDRN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000171491727 551656969 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2.798 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000173489821 552086681 /nfs/dbraw/zinc/08/66/81/552086681.db2.gz QXYKHJHGRDHLOO-AWEZNQCLSA-N 0 0 383.451 2.798 20 5 GFBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(Br)c1 ZINC000174619584 552106682 /nfs/dbraw/zinc/10/66/82/552106682.db2.gz FJCBTHMVRCLEAU-UHFFFAOYSA-N 0 0 396.172 2.751 20 5 GFBDRN Cc1sc2nc(C)nc(SC[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2c1C ZINC000174669858 552108172 /nfs/dbraw/zinc/10/81/72/552108172.db2.gz NNMBRSDYKJMQKJ-GFCCVEGCSA-N 0 0 379.467 2.874 20 5 GFBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Br)c1 ZINC000175352836 552120324 /nfs/dbraw/zinc/12/03/24/552120324.db2.gz MZVWFNDSFSZKNQ-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000175862075 552130433 /nfs/dbraw/zinc/13/04/33/552130433.db2.gz AXTITSFTTPXEJU-LLVKDONJSA-N 0 0 387.870 2.867 20 5 GFBDRN O=C(c1occc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000176100742 552135817 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COc1ccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000180163130 552215357 /nfs/dbraw/zinc/21/53/57/552215357.db2.gz NMBFRNLGIXXKAZ-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181130388 552248040 /nfs/dbraw/zinc/24/80/40/552248040.db2.gz ZJVUSOUMXXPBDE-AWEZNQCLSA-N 0 0 380.198 2.524 20 5 GFBDRN O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000181137575 552248043 /nfs/dbraw/zinc/24/80/43/552248043.db2.gz KKKSVLKAASMGME-AWEZNQCLSA-N 0 0 383.173 2.960 20 5 GFBDRN O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000181935679 552270939 /nfs/dbraw/zinc/27/09/39/552270939.db2.gz RLBIZFHQTICTLL-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000182695397 552290744 /nfs/dbraw/zinc/29/07/44/552290744.db2.gz USFKJTDYKPLPJU-MRVPVSSYSA-N 0 0 379.722 2.988 20 5 GFBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000182726171 552291492 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CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186344974 552385291 /nfs/dbraw/zinc/38/52/91/552385291.db2.gz VWJVYVJJAUZPGV-CYBMUJFWSA-N 0 0 385.873 2.812 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NCCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000186701440 552395412 /nfs/dbraw/zinc/39/54/12/552395412.db2.gz QQMJTJRDLXHOPA-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Br)c(F)cc1F ZINC000188156692 552437154 /nfs/dbraw/zinc/43/71/54/552437154.db2.gz DQOIEWNRCXRLLX-UHFFFAOYSA-N 0 0 375.129 2.861 20 5 GFBDRN CC[C@]1(CO)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000188679495 552451882 /nfs/dbraw/zinc/45/18/82/552451882.db2.gz QKACRHLOEBZVLS-HNNXBMFYSA-N 0 0 376.862 2.730 20 5 GFBDRN O=c1c(Br)cn(CCOCC(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000189080076 552462620 /nfs/dbraw/zinc/46/26/20/552462620.db2.gz VHABDPNINJMTDY-UHFFFAOYSA-N 0 0 395.078 2.733 20 5 GFBDRN COc1cc(Br)ccc1[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000189137192 552464060 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O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H](Cn2ccnn2)C1 ZINC000192373206 552561263 /nfs/dbraw/zinc/56/12/63/552561263.db2.gz XNUSYBIWZMNVGX-NSHDSACASA-N 0 0 394.229 2.501 20 5 GFBDRN C[C@@H](c1ccccc1Br)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000193312655 552989900 /nfs/dbraw/zinc/98/99/00/552989900.db2.gz HGCRZMOBFMUZCE-NSHDSACASA-N 0 0 394.225 2.739 20 5 GFBDRN COCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000193568913 552997306 /nfs/dbraw/zinc/99/73/06/552997306.db2.gz FUTMCDOSLZRDOT-MRVPVSSYSA-N 0 0 392.193 2.663 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cncc(Br)c3)C2)nc1 ZINC000236587557 553069120 /nfs/dbraw/zinc/06/91/20/553069120.db2.gz DXEPJQGNTGHVTB-CYBMUJFWSA-N 0 0 378.230 2.834 20 5 GFBDRN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000238025700 553084951 /nfs/dbraw/zinc/08/49/51/553084951.db2.gz MJOFJJHZDBZOOM-LDYMZIIASA-N 0 0 382.269 2.697 20 5 GFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000248847368 553135665 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O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccc(-n2cccn2)c1 ZINC000364936485 563769543 /nfs/dbraw/zinc/76/95/43/563769543.db2.gz CZMIQSACGMRTNS-UHFFFAOYSA-N 0 0 375.182 2.753 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)sc1Cl ZINC000365053412 563772813 /nfs/dbraw/zinc/77/28/13/563772813.db2.gz JWZIECVLXGYNJY-SNVBAGLBSA-N 0 0 390.874 2.840 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCC2CC(F)(F)C2)ccc1Br ZINC000292208232 563778492 /nfs/dbraw/zinc/77/84/92/563778492.db2.gz HAWQDKXBRRCCAQ-UHFFFAOYSA-N 0 0 385.186 2.681 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@@](CO)(c2ccccc2)C1 ZINC000292210674 563778747 /nfs/dbraw/zinc/77/87/47/563778747.db2.gz DDUZRRTZBZVPKG-MRXNPFEDSA-N 0 0 378.226 2.893 20 5 GFBDRN CSC[C@H]1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000292281444 563780823 /nfs/dbraw/zinc/78/08/23/563780823.db2.gz LNIXQDBLFGOAHE-NSHDSACASA-N 0 0 385.873 2.580 20 5 GFBDRN O=C(N[C@H]1COc2ccccc2[C@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365614705 563788904 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5 GFBDRN CCSCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416413853 563825137 /nfs/dbraw/zinc/82/51/37/563825137.db2.gz QFVJVUFTUKRNOF-LLVKDONJSA-N 0 0 390.483 2.534 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416418773 563826692 /nfs/dbraw/zinc/82/66/92/563826692.db2.gz SDHWLDPIASAKTC-CDEUHXGRSA-N 0 0 388.511 2.570 20 5 GFBDRN CC[C@@H](C)[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453329 563831109 /nfs/dbraw/zinc/83/11/09/563831109.db2.gz CTDHWGSVOVFHPQ-RNCFNFMXSA-N 0 0 384.376 2.689 20 5 GFBDRN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457983 563831502 /nfs/dbraw/zinc/83/15/02/563831502.db2.gz PAPXVKQVYFIJID-GFCCVEGCSA-N 0 0 382.360 2.659 20 5 GFBDRN Cn1nc(Br)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294160298 563832511 /nfs/dbraw/zinc/83/25/11/563832511.db2.gz VXJKKZVTBCMYAW-UHFFFAOYSA-N 0 0 380.202 2.917 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416477460 563834950 /nfs/dbraw/zinc/83/49/50/563834950.db2.gz TWESJCKLJAMUKA-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493583 563838568 /nfs/dbraw/zinc/83/85/68/563838568.db2.gz FJWBOLUMTGUZDD-ZYHUDNBSSA-N 0 0 382.360 2.850 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@@H]3c3nnc[nH]3)n2)c(Br)c1 ZINC000367302093 563840086 /nfs/dbraw/zinc/84/00/86/563840086.db2.gz UHUJTMPESKCZCR-VHSXEESVSA-N 0 0 391.185 2.720 20 5 GFBDRN O=C(NCCc1nc2cc(Cl)ccc2s1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445021008 563841532 /nfs/dbraw/zinc/84/15/32/563841532.db2.gz PXCNWPCVXOLTHH-UHFFFAOYSA-N 0 0 378.797 2.931 20 5 GFBDRN CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416524507 563842656 /nfs/dbraw/zinc/84/26/56/563842656.db2.gz GFPGXZIQNKLNCS-JGZJWPJOSA-N 0 0 393.259 2.592 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000416531366 563844003 /nfs/dbraw/zinc/84/40/03/563844003.db2.gz UUZGKRKUTGAMMP-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445146334 563844193 /nfs/dbraw/zinc/84/41/93/563844193.db2.gz OLBLVXZXALWCQL-MRVPVSSYSA-N 0 0 398.188 2.958 20 5 GFBDRN O=C(c1sccc1Cl)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294498601 563844406 /nfs/dbraw/zinc/84/44/06/563844406.db2.gz JRZMZJBTJJRBFX-UHFFFAOYSA-N 0 0 379.825 2.908 20 5 GFBDRN COC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000416540099 563845389 /nfs/dbraw/zinc/84/53/89/563845389.db2.gz GJCBFFOYMFUAJI-UHFFFAOYSA-N 0 0 382.360 2.850 20 5 GFBDRN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000416542695 563845782 /nfs/dbraw/zinc/84/57/82/563845782.db2.gz XREMTBYDSIBBFB-NSHDSACASA-N 0 0 381.479 2.763 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000416541517 563845876 /nfs/dbraw/zinc/84/58/76/563845876.db2.gz WIFMAJXJDOKMFW-SECBINFHSA-N 0 0 383.451 2.588 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2ccc(F)c(Br)c2)n1 ZINC000445576614 563851007 /nfs/dbraw/zinc/85/10/07/563851007.db2.gz KTAGHYWOANTISH-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(CSC)c1 ZINC000445748973 563853703 /nfs/dbraw/zinc/85/37/03/563853703.db2.gz GLPOPKNGHZNXDY-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)[C@@H](C)O1 ZINC000445745111 563853909 /nfs/dbraw/zinc/85/39/09/563853909.db2.gz RAUHISYISUITKL-KXUCPTDWSA-N 0 0 393.259 2.544 20 5 GFBDRN C[C@H](c1ncc(Br)cn1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367875128 563858627 /nfs/dbraw/zinc/85/86/27/563858627.db2.gz LLOOTESNLGTCHW-ZYHUDNBSSA-N 0 0 381.234 2.742 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000368131562 563864470 /nfs/dbraw/zinc/86/44/70/563864470.db2.gz ASBBZOIUGFEZIO-CQSZACIVSA-N 0 0 378.809 2.579 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)cc1Cl ZINC000368132039 563864769 /nfs/dbraw/zinc/86/47/69/563864769.db2.gz CXDLCVNUWKAZPI-NXEZZACHSA-N 0 0 395.264 2.949 20 5 GFBDRN C[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028779 563872745 /nfs/dbraw/zinc/87/27/45/563872745.db2.gz IVIQJESPGQBWKI-ONGXEEELSA-N 0 0 393.259 2.593 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447020837 563872781 /nfs/dbraw/zinc/87/27/81/563872781.db2.gz MGRSYQAKHMSOAW-LBPRGKRZSA-N 0 0 395.275 2.697 20 5 GFBDRN CCOC(=O)c1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000447105027 563875030 /nfs/dbraw/zinc/87/50/30/563875030.db2.gz DCLWKXPHPLZLCK-UHFFFAOYSA-N 0 0 383.407 2.782 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1c1cccc(Br)c1 ZINC000447683043 563884273 /nfs/dbraw/zinc/88/42/73/563884273.db2.gz MNXURAPWJVBTKH-CYBMUJFWSA-N 0 0 377.198 2.970 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000447814335 563887000 /nfs/dbraw/zinc/88/70/00/563887000.db2.gz ZMLVCINRJDQLLJ-CCUNJIBTSA-N 0 0 386.246 2.833 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2nc3ccccc3s2)cc1 ZINC000470775748 564177940 /nfs/dbraw/zinc/17/79/40/564177940.db2.gz ZDSSYWZUTWMIFD-UHFFFAOYSA-N 0 0 377.447 2.867 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000471088052 564185781 /nfs/dbraw/zinc/18/57/81/564185781.db2.gz CZIXIDLTFSGLHI-NSHDSACASA-N 0 0 379.766 2.791 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000538271115 564186437 /nfs/dbraw/zinc/18/64/37/564186437.db2.gz LTNGBMYOLSIRIB-UHFFFAOYSA-N 0 0 386.495 2.650 20 5 GFBDRN CCOC(=O)[C@H](C)N(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000471237220 564189708 /nfs/dbraw/zinc/18/97/08/564189708.db2.gz MJUGUFAHPJUSMQ-VIFPVBQESA-N 0 0 385.214 2.914 20 5 GFBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])NCCOc1ccc(Cl)cc1 ZINC000506446771 564202552 /nfs/dbraw/zinc/20/25/52/564202552.db2.gz WNDMTIVFAJADHD-UHFFFAOYSA-N 0 0 386.191 2.871 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000472596696 564229031 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20 5 GFBDRN Cc1cc(NC[C@@H](CO)Cc2cc(Br)ccc2F)ncc1[N+](=O)[O-] ZINC000450839875 564250381 /nfs/dbraw/zinc/25/03/81/564250381.db2.gz DESYHCWNPUTZBW-NSHDSACASA-N 0 0 398.232 2.885 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000450869570 564252087 /nfs/dbraw/zinc/25/20/87/564252087.db2.gz XWACIZWYBRBMLY-YGRLFVJLSA-N 0 0 383.451 2.636 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2nc(C(F)(F)F)cs2)c1 ZINC000564854113 564253049 /nfs/dbraw/zinc/25/30/49/564253049.db2.gz JAIVOQWDYDZYEH-SNVBAGLBSA-N 0 0 377.344 2.600 20 5 GFBDRN COC[C@@]1(CO)CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000450899660 564254277 /nfs/dbraw/zinc/25/42/77/564254277.db2.gz TVWJTSJIPIWTHA-INIZCTEOSA-N 0 0 396.241 2.741 20 5 GFBDRN Cc1ccc(Br)c2c1N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000540865097 564258605 /nfs/dbraw/zinc/25/86/05/564258605.db2.gz QWBRBQUWJPPTJA-CYBMUJFWSA-N 0 0 395.257 2.676 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541059015 564265005 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O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509523553 564303405 /nfs/dbraw/zinc/30/34/05/564303405.db2.gz KMKKXZGQOAUZFZ-UHFFFAOYSA-N 0 0 391.783 2.917 20 5 GFBDRN CCN(CC)C(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000542508284 564315920 /nfs/dbraw/zinc/31/59/20/564315920.db2.gz RTGPKNZUUMQRBS-LLVKDONJSA-N 0 0 385.262 2.898 20 5 GFBDRN Cc1c(Br)c(N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ncc1[N+](=O)[O-] ZINC000542508181 564316315 /nfs/dbraw/zinc/31/63/15/564316315.db2.gz XGMSDHIPUPACRB-WDEREUQCSA-N 0 0 383.246 2.556 20 5 GFBDRN CC(C)(C)NC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000475721676 564317359 /nfs/dbraw/zinc/31/73/59/564317359.db2.gz DGJHPKFCKBLLRK-UHFFFAOYSA-N 0 0 385.262 2.987 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000476072454 564327104 /nfs/dbraw/zinc/32/71/04/564327104.db2.gz NBIHOEMXGIKPKD-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN O=C(NCc1ccc(OCCO)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000476073133 564327317 /nfs/dbraw/zinc/32/73/17/564327317.db2.gz TVWUUZUGFMHDKH-UHFFFAOYSA-N 0 0 395.209 2.658 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000451631681 564333014 /nfs/dbraw/zinc/33/30/14/564333014.db2.gz IIWPJVONEYCTEF-UHFFFAOYSA-N 0 0 388.873 2.954 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000451658589 564337356 /nfs/dbraw/zinc/33/73/56/564337356.db2.gz BCTMFIZLNLUIPG-AWEZNQCLSA-N 0 0 384.841 2.784 20 5 GFBDRN C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000566807694 564344917 /nfs/dbraw/zinc/34/49/17/564344917.db2.gz GHWBLDDJWFDJFL-ZJUUUORDSA-N 0 0 379.467 2.703 20 5 GFBDRN CS[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000451738086 564346066 /nfs/dbraw/zinc/34/60/66/564346066.db2.gz ROGSJOAGYDLPAS-VIFPVBQESA-N 0 0 395.300 2.792 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000451795034 564352173 /nfs/dbraw/zinc/35/21/73/564352173.db2.gz YVXRTWRWYSTMKZ-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN Cc1c(Br)c(NCc2ccc3[nH]c(=O)[nH]c3c2)ncc1[N+](=O)[O-] ZINC000543484815 564352425 /nfs/dbraw/zinc/35/24/25/564352425.db2.gz KBVHETXAMQFHLV-UHFFFAOYSA-N 0 0 378.186 2.677 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(F)F)c1 ZINC000511031402 564353981 /nfs/dbraw/zinc/35/39/81/564353981.db2.gz QAVRMPJODUCUBK-SNVBAGLBSA-N 0 0 385.186 2.776 20 5 GFBDRN CC(C)[C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815920 564355043 /nfs/dbraw/zinc/35/50/43/564355043.db2.gz INFGVWROPLLPSS-SMDDNHRTSA-N 0 0 376.862 2.978 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(Sc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 ZINC000477099332 564364569 /nfs/dbraw/zinc/36/45/69/564364569.db2.gz JJHDPINTMZFJCJ-UHFFFAOYSA-N 0 0 386.480 2.725 20 5 GFBDRN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CN1c1ccc(F)cc1 ZINC000543840776 564365856 /nfs/dbraw/zinc/36/58/56/564365856.db2.gz WNSDQWTZACXSIY-GFCCVEGCSA-N 0 0 381.161 2.719 20 5 GFBDRN CCc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000567769361 564387351 /nfs/dbraw/zinc/38/73/51/564387351.db2.gz ALQQECCEZSCFMM-MRXNPFEDSA-N 0 0 383.495 2.800 20 5 GFBDRN CCN1C[C@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000567958475 564397441 /nfs/dbraw/zinc/39/74/41/564397441.db2.gz MQZYVVSAPKMEGJ-IUCAKERBSA-N 0 0 376.276 2.974 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000512490589 564404331 /nfs/dbraw/zinc/40/43/31/564404331.db2.gz NIOWZDQFKMURIM-OLZOCXBDSA-N 0 0 396.241 2.549 20 5 GFBDRN COCCO[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000512790946 564411720 /nfs/dbraw/zinc/41/17/20/564411720.db2.gz VSVPCMAHMLCLKQ-AWEZNQCLSA-N 0 0 387.230 2.625 20 5 GFBDRN CCOC(=O)C[C@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000478775598 564414729 /nfs/dbraw/zinc/41/47/29/564414729.db2.gz VLTQZLRYODJUMX-HNNXBMFYSA-N 0 0 392.861 2.894 20 5 GFBDRN CS(=O)(=O)Cc1cccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000478895598 564417981 /nfs/dbraw/zinc/41/79/81/564417981.db2.gz MDJLBDNFULMKKI-UHFFFAOYSA-N 0 0 380.447 2.870 20 5 GFBDRN O=[N+]([O-])c1ccc(OCc2nc(Cn3cc(Br)cn3)no2)cc1 ZINC000545742903 564431336 /nfs/dbraw/zinc/43/13/36/564431336.db2.gz YFFDBZMCEVHAJY-UHFFFAOYSA-N 0 0 380.158 2.564 20 5 GFBDRN Cc1c(CN[C@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000479464504 564441360 /nfs/dbraw/zinc/44/13/60/564441360.db2.gz PBMUKAVZSXNRJL-HNNXBMFYSA-N 0 0 378.226 2.982 20 5 GFBDRN CS(=O)(=O)c1csc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000479468861 564441554 /nfs/dbraw/zinc/44/15/54/564441554.db2.gz FFPNMOJQZFLJIC-UHFFFAOYSA-N 0 0 388.854 2.686 20 5 GFBDRN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602015 564450338 /nfs/dbraw/zinc/45/03/38/564450338.db2.gz CZWQSDXNQSPVDL-WPRPVWTQSA-N 0 0 382.269 2.697 20 5 GFBDRN CC[C@H]1COCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173076 564451923 /nfs/dbraw/zinc/45/19/23/564451923.db2.gz FGQOIADKUXFYTP-LBPRGKRZSA-N 0 0 376.194 2.810 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(=O)Nc1ccccc1Br ZINC000479852061 564452718 /nfs/dbraw/zinc/45/27/18/564452718.db2.gz QAAHKGILVVQXKO-UHFFFAOYSA-N 0 0 396.245 2.957 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(Br)s2)no1 ZINC000546288540 564453701 /nfs/dbraw/zinc/45/37/01/564453701.db2.gz SQYHDUBHTZKNSP-UHFFFAOYSA-N 0 0 384.215 2.946 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000480022208 564458679 /nfs/dbraw/zinc/45/86/79/564458679.db2.gz WKRVPORTDLXPGX-UHFFFAOYSA-N 0 0 381.230 2.842 20 5 GFBDRN Cc1cccc(C(=O)NCCNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000515359849 564476735 /nfs/dbraw/zinc/47/67/35/564476735.db2.gz JLHYYUOXIUPRQM-UHFFFAOYSA-N 0 0 393.241 2.633 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(Cc3ccon3)no2)c(I)c1 ZINC000547133285 564478699 /nfs/dbraw/zinc/47/86/99/564478699.db2.gz NFKQPWZSMLWISG-UHFFFAOYSA-N 0 0 398.116 2.828 20 5 GFBDRN CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000480700928 564483014 /nfs/dbraw/zinc/48/30/14/564483014.db2.gz SAUFPNNNAFFXQN-CQSZACIVSA-N 0 0 380.246 2.964 20 5 GFBDRN O=C(NCc1n[nH]cc1Br)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000547348563 564486303 /nfs/dbraw/zinc/48/63/03/564486303.db2.gz HZOJQGRKDFOYDZ-UHFFFAOYSA-N 0 0 388.609 2.733 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480933259 564496642 /nfs/dbraw/zinc/49/66/42/564496642.db2.gz ISPIJRUMCAGBOW-UHFFFAOYSA-N 0 0 375.328 2.829 20 5 GFBDRN Nc1nc(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000481060134 564502512 /nfs/dbraw/zinc/50/25/12/564502512.db2.gz ZVXVGUVCUTVCLF-VIFPVBQESA-N 0 0 377.710 2.615 20 5 GFBDRN O=C(NCc1ccc(Cl)s1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454212371 564502929 /nfs/dbraw/zinc/50/29/29/564502929.db2.gz AQJWHXHKIDYCSB-UHFFFAOYSA-N 0 0 381.845 2.737 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000481461882 564512747 /nfs/dbraw/zinc/51/27/47/564512747.db2.gz BXRRLFLAZWJXFC-NSHDSACASA-N 0 0 391.232 2.914 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481468856 564513292 /nfs/dbraw/zinc/51/32/92/564513292.db2.gz WULURVUQVCTFAO-CYBMUJFWSA-N 0 0 391.232 2.914 20 5 GFBDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481700869 564519453 /nfs/dbraw/zinc/51/94/53/564519453.db2.gz BVDNVFNUWIRQOZ-UHFFFAOYSA-N 0 0 393.201 2.713 20 5 GFBDRN Cc1cc(OCc2nc(Cn3cc(Br)cn3)no2)ccc1[N+](=O)[O-] ZINC000517037569 564522734 /nfs/dbraw/zinc/52/27/34/564522734.db2.gz YYZLZUVDWSKROC-UHFFFAOYSA-N 0 0 394.185 2.873 20 5 GFBDRN O=c1cc(CNc2cc(Br)cc([N+](=O)[O-])c2)nc2ccccn12 ZINC000570871480 564525583 /nfs/dbraw/zinc/52/55/83/564525583.db2.gz HMUZPSMNXMQUII-UHFFFAOYSA-N 0 0 375.182 2.977 20 5 GFBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000482693986 564548931 /nfs/dbraw/zinc/54/89/31/564548931.db2.gz NTKZQMSKDARRDV-SNVBAGLBSA-N 0 0 386.246 2.640 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nn(C)cc1Br ZINC000455353234 564549771 /nfs/dbraw/zinc/54/97/71/564549771.db2.gz DBWLJZWVPVKLBP-UHFFFAOYSA-N 0 0 398.217 2.811 20 5 GFBDRN CO[C@H]1COCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455407515 564552426 /nfs/dbraw/zinc/55/24/26/564552426.db2.gz WYHLGLLNETVDPT-ZANVPECISA-N 0 0 388.218 2.530 20 5 GFBDRN CO[C@@H]1COCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455407514 564552439 /nfs/dbraw/zinc/55/24/39/564552439.db2.gz WYHLGLLNETVDPT-TVQRCGJNSA-N 0 0 388.218 2.530 20 5 GFBDRN CO[C@H]1COCC[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455407513 564552834 /nfs/dbraw/zinc/55/28/34/564552834.db2.gz WYHLGLLNETVDPT-RNCFNFMXSA-N 0 0 388.218 2.530 20 5 GFBDRN Cc1ccc(C[C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000455718843 564566558 /nfs/dbraw/zinc/56/65/58/564566558.db2.gz LRZUXHHDNJZQGO-SNVBAGLBSA-N 0 0 382.463 2.729 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCC2(F)F)c([N+](=O)[O-])c1 ZINC000456041427 564584872 /nfs/dbraw/zinc/58/48/72/564584872.db2.gz XKMBNIAFBHMEFN-SNVBAGLBSA-N 0 0 376.381 2.554 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000456059790 564586316 /nfs/dbraw/zinc/58/63/16/564586316.db2.gz JYYMBPYJGSKWLA-UHFFFAOYSA-N 0 0 375.194 2.914 20 5 GFBDRN CN(C)C(=O)C1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000456080621 564587414 /nfs/dbraw/zinc/58/74/14/564587414.db2.gz FTJRPHXWKXRCPB-UHFFFAOYSA-N 0 0 398.257 2.878 20 5 GFBDRN COC1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000549466412 564596150 /nfs/dbraw/zinc/59/61/50/564596150.db2.gz HGCIONRWIHYXGB-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456326193 564600475 /nfs/dbraw/zinc/60/04/75/564600475.db2.gz OLHNHIWRKKRFIX-MDZLAQPJSA-N 0 0 383.242 2.980 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000456344537 564601151 /nfs/dbraw/zinc/60/11/51/564601151.db2.gz XHJLELOJUKYUGV-OSAQELSMSA-N 0 0 397.269 2.909 20 5 GFBDRN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[S@]1=O ZINC000456367340 564603561 /nfs/dbraw/zinc/60/35/61/564603561.db2.gz NSFHKJDJJIARQJ-RUZDIDTESA-N 0 0 378.372 2.987 20 5 GFBDRN COc1ccccc1CN(CCO)c1ncc([N+](=O)[O-])cc1Br ZINC000485198023 564610123 /nfs/dbraw/zinc/61/01/23/564610123.db2.gz ZPFAERAZSAUMMQ-UHFFFAOYSA-N 0 0 382.214 2.760 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)c2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000485348032 564612500 /nfs/dbraw/zinc/61/25/00/564612500.db2.gz GUDNFTYMZVZSBX-UHFFFAOYSA-N 0 0 391.181 2.587 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCc2cccs2)c1 ZINC000520881988 564615398 /nfs/dbraw/zinc/61/53/98/564615398.db2.gz MQGGGFNTMZTUMG-UHFFFAOYSA-N 0 0 391.268 2.940 20 5 GFBDRN COc1cc(Br)ccc1-c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000572919250 564615478 /nfs/dbraw/zinc/61/54/78/564615478.db2.gz DEPTUQCWEGUNLS-UHFFFAOYSA-N 0 0 380.158 2.816 20 5 GFBDRN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485686856 564622983 /nfs/dbraw/zinc/62/29/83/564622983.db2.gz YTCJVPRKNQPUNR-QMMMGPOBSA-N 0 0 390.259 2.502 20 5 GFBDRN Cn1c(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000485814977 564626123 /nfs/dbraw/zinc/62/61/23/564626123.db2.gz HOMQKRQMWSZSLE-LBPRGKRZSA-N 0 0 393.241 2.705 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC2(CF)CCC2)cc1[N+](=O)[O-] ZINC000573242853 564629008 /nfs/dbraw/zinc/62/90/08/564629008.db2.gz HSQUNCPNONRXQZ-UHFFFAOYSA-N 0 0 381.223 2.836 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000551025889 564636381 /nfs/dbraw/zinc/63/63/81/564636381.db2.gz VBYKXIVQWGNIGS-UHFFFAOYSA-N 0 0 379.214 2.648 20 5 GFBDRN COC(=O)c1c(C)c(NCc2c([N+](=O)[O-])ncn2C)ccc1Br ZINC000486202692 564642535 /nfs/dbraw/zinc/64/25/35/564642535.db2.gz DPAPWAFTHDXWGC-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000522251335 564648189 /nfs/dbraw/zinc/64/81/89/564648189.db2.gz JIIKEMRLMDNEHK-ZDUSSCGKSA-N 0 0 383.495 2.503 20 5 GFBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H](C)[S@]1=O ZINC000573691992 564649947 /nfs/dbraw/zinc/64/99/47/564649947.db2.gz HEENGRCWVNBHBD-XTLFPSBJSA-N 0 0 376.276 2.797 20 5 GFBDRN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1F ZINC000573769522 564653642 /nfs/dbraw/zinc/65/36/42/564653642.db2.gz VFJCWERMGPPWSX-VIFPVBQESA-N 0 0 398.188 2.536 20 5 GFBDRN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000486486699 564654097 /nfs/dbraw/zinc/65/40/97/564654097.db2.gz JBBINFHAUJVOMG-SSDOTTSWSA-N 0 0 391.185 2.515 20 5 GFBDRN NS(=O)(=O)c1cc(NC[C@H]2SCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000487664550 564694014 /nfs/dbraw/zinc/69/40/14/564694014.db2.gz IQNACMSWVPSONC-MRXNPFEDSA-N 0 0 379.463 2.685 20 5 GFBDRN Cc1nccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1Br ZINC000525870746 564712379 /nfs/dbraw/zinc/71/23/79/564712379.db2.gz OZZWGQMLOMKXHO-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN CNc1nccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000553329156 564716572 /nfs/dbraw/zinc/71/65/72/564716572.db2.gz XUUDBAZKVRMJFC-SNVBAGLBSA-N 0 0 393.241 2.577 20 5 GFBDRN Cc1c(NC(=O)N2CCN(C(C)C)C(=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000576667809 564717056 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564903465 /nfs/dbraw/zinc/90/34/65/564903465.db2.gz MMFNAZLNYMFZNT-VHSXEESVSA-N 0 0 385.136 2.789 20 5 GFBDRN Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])nn1-c1ccc(Cl)c(Cl)c1 ZINC000558749081 564913046 /nfs/dbraw/zinc/91/30/46/564913046.db2.gz MEFGMOJXHVQAME-UHFFFAOYSA-N 0 0 381.179 2.793 20 5 GFBDRN O=C(Nc1cccc2c1CNC2=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584223353 564925988 /nfs/dbraw/zinc/92/59/88/564925988.db2.gz DFWKQEHAEJXCED-UHFFFAOYSA-N 0 0 376.166 2.853 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000499675931 564933316 /nfs/dbraw/zinc/93/33/16/564933316.db2.gz LMYCSOYKBOCIKN-ZUZCIYMTSA-N 0 0 384.845 2.678 20 5 GFBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cn(C)c1=O ZINC000559576680 564935820 /nfs/dbraw/zinc/93/58/20/564935820.db2.gz RLNJACSJBSRZTE-UHFFFAOYSA-N 0 0 380.198 2.925 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N(CCO)Cc1cc(Br)ccc1F ZINC000532399721 564936362 /nfs/dbraw/zinc/93/63/62/564936362.db2.gz IWOKYNPESQMZAH-UHFFFAOYSA-N 0 0 398.188 2.526 20 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CCc1nsc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])n1 ZINC000536516845 565039049 /nfs/dbraw/zinc/03/90/49/565039049.db2.gz OOFDETOOHQKHFG-UHFFFAOYSA-N 0 0 386.455 2.832 20 5 GFBDRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000470344117 565043234 /nfs/dbraw/zinc/04/32/34/565043234.db2.gz JRHUIJQHQIZNKS-UHFFFAOYSA-N 0 0 390.197 2.801 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000505129980 565049226 /nfs/dbraw/zinc/04/92/26/565049226.db2.gz RPZSSWLCVIVFGO-UHFFFAOYSA-N 0 0 389.842 2.535 20 5 GFBDRN C[C@@H](CCO)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000537182425 565054594 /nfs/dbraw/zinc/05/45/94/565054594.db2.gz LZVIUGAGXBWAHR-NSHDSACASA-N 0 0 376.862 2.715 20 5 GFBDRN CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000537212567 565055072 /nfs/dbraw/zinc/05/50/72/565055072.db2.gz PSCDWQOILIPZTN-UHFFFAOYSA-N 0 0 393.241 2.872 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000537785587 565063165 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2.866 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000588144584 565129056 /nfs/dbraw/zinc/12/90/56/565129056.db2.gz ORWNTFQRDVXDMT-CYBMUJFWSA-N 0 0 384.841 2.611 20 5 GFBDRN CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000614857923 565136513 /nfs/dbraw/zinc/13/65/13/565136513.db2.gz NIFHIWVNWDMVLI-CYBMUJFWSA-N 0 0 382.360 2.635 20 5 GFBDRN CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000588858865 565141912 /nfs/dbraw/zinc/14/19/12/565141912.db2.gz HKDHRVOKLCWIPK-JKOKRWQUSA-N 0 0 383.246 2.811 20 5 GFBDRN NC(=O)C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000588853962 565142051 /nfs/dbraw/zinc/14/20/51/565142051.db2.gz NBWLKKJCJUEDGX-SECBINFHSA-N 0 0 379.214 2.607 20 5 GFBDRN CC1CCN(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000588851577 565142232 /nfs/dbraw/zinc/14/22/32/565142232.db2.gz BTJWIAGJRCDYIE-UHFFFAOYSA-N 0 0 378.248 2.746 20 5 GFBDRN NS(=O)(=O)c1ccc(NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000589103164 565151055 /nfs/dbraw/zinc/15/10/55/565151055.db2.gz QGYJOXZJRWXZNJ-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590435733 565187847 /nfs/dbraw/zinc/18/78/47/565187847.db2.gz ZSQJKXSYHGBXQK-PELKAZGASA-N 0 0 397.147 2.933 20 5 GFBDRN CC[C@@]1(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCOC1 ZINC000616460698 565203448 /nfs/dbraw/zinc/20/34/48/565203448.db2.gz IXGZVMHRBWEBTQ-CYBMUJFWSA-N 0 0 393.259 2.513 20 5 GFBDRN CC1(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000590989890 565212034 /nfs/dbraw/zinc/21/20/34/565212034.db2.gz SYNXPGPZVOKADV-UHFFFAOYSA-N 0 0 376.381 2.696 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CCC[C@@H](n2ccnc2)C1 ZINC000591364604 565226794 /nfs/dbraw/zinc/22/67/94/565226794.db2.gz CMRCBDSEDAYSQY-SNVBAGLBSA-N 0 0 399.192 2.632 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000592584608 565283440 /nfs/dbraw/zinc/28/34/40/565283440.db2.gz PRMLCYKVFWKXRD-SNVBAGLBSA-N 0 0 397.229 2.830 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCc2ncncc2C1 ZINC000592629253 565286163 /nfs/dbraw/zinc/28/61/63/565286163.db2.gz HLJURRNHYIILBI-VIFPVBQESA-N 0 0 377.198 2.891 20 5 GFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000618461538 565300773 /nfs/dbraw/zinc/30/07/73/565300773.db2.gz CUAFQBWCEYJTMH-ZCFIWIBFSA-N 0 0 389.149 2.822 20 5 GFBDRN Cc1nnc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000618826595 565318478 /nfs/dbraw/zinc/31/84/78/565318478.db2.gz DRYMQVYOCSPEIY-UHFFFAOYSA-N 0 0 375.332 2.773 20 5 GFBDRN CS[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593229912 565321404 /nfs/dbraw/zinc/32/14/04/565321404.db2.gz NDGLWJOXZSDOGM-DGCLKSJQSA-N 0 0 383.495 2.576 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCOc2c(Br)cccc2C1 ZINC000619420655 565340064 /nfs/dbraw/zinc/34/00/64/565340064.db2.gz SIWAMOFZAAOADV-UHFFFAOYSA-N 0 0 392.209 2.974 20 5 GFBDRN O=C(CCC(F)F)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000619513675 565347100 /nfs/dbraw/zinc/34/71/00/565347100.db2.gz UDQRSUPHTUELKY-UHFFFAOYSA-N 0 0 391.377 2.868 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593626877 565349530 /nfs/dbraw/zinc/34/95/30/565349530.db2.gz KFDOWIPBMWHLTF-UHFFFAOYSA-N 0 0 382.335 2.791 20 5 GFBDRN COC(=O)CS[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000594664963 565404195 /nfs/dbraw/zinc/40/41/95/565404195.db2.gz SQACPQAZBZRTRF-SECBINFHSA-N 0 0 381.435 2.952 20 5 GFBDRN C[C@H]1SCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000594752595 565414583 /nfs/dbraw/zinc/41/45/83/565414583.db2.gz DVFJMVYCALRBQN-IUODEOHRSA-N 0 0 379.463 2.857 20 5 GFBDRN CCn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000594787593 565420336 /nfs/dbraw/zinc/42/03/36/565420336.db2.gz ATVCIIDXSPACJI-UHFFFAOYSA-N 0 0 379.225 2.597 20 5 GFBDRN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000594779572 565420455 /nfs/dbraw/zinc/42/04/55/565420455.db2.gz KBNAZKFIWLMYTA-SNVBAGLBSA-N 0 0 382.360 2.576 20 5 GFBDRN C[C@@]12COC[C@]1(C)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000594832135 565427046 /nfs/dbraw/zinc/42/70/46/565427046.db2.gz UKFYUOJOIFTTRV-OKILXGFUSA-N 0 0 395.264 2.949 20 5 GFBDRN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(OC)c1 ZINC000594831586 565427338 /nfs/dbraw/zinc/42/73/38/565427338.db2.gz UINQHBPMBNFTAG-ZDUSSCGKSA-N 0 0 386.451 2.639 20 5 GFBDRN CO[C@@H](COc1ccc(I)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594895555 565434702 /nfs/dbraw/zinc/43/47/02/565434702.db2.gz LMNLXLMTFOSEEQ-RNCFNFMXSA-N 0 0 393.177 2.630 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCc1nc(C)cs1 ZINC000596070934 565512371 /nfs/dbraw/zinc/51/23/71/565512371.db2.gz ISJBNGBKUSRHDJ-UHFFFAOYSA-N 0 0 384.483 2.703 20 5 GFBDRN CC(C)OCCOC[C@@H](O)CN(C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596089727 565513447 /nfs/dbraw/zinc/51/34/47/565513447.db2.gz JESTYBWFXQDNBY-LBPRGKRZSA-N 0 0 391.262 2.596 20 5 GFBDRN Nc1c(NC(=O)NCCOCC(F)(F)C(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597098081 565551536 /nfs/dbraw/zinc/55/15/36/565551536.db2.gz ROIWLMRBJDIODT-UHFFFAOYSA-N 0 0 388.705 2.869 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000597929204 565582984 /nfs/dbraw/zinc/58/29/84/565582984.db2.gz KYTLUZPACOSKOK-BDAKNGLRSA-N 0 0 380.344 2.778 20 5 GFBDRN COC(=O)[C@@](C)(CCF)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000598286926 565606767 /nfs/dbraw/zinc/60/67/67/565606767.db2.gz WJTAABBBCCDVMO-CQSZACIVSA-N 0 0 391.193 2.687 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000598440756 565618275 /nfs/dbraw/zinc/61/82/75/565618275.db2.gz GGOVCHKIDHJANI-UHFFFAOYSA-N 0 0 377.198 2.654 20 5 GFBDRN C[C@]1(C(F)F)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000598575978 565627848 /nfs/dbraw/zinc/62/78/48/565627848.db2.gz XSIQSEGQVFPPIX-CYBMUJFWSA-N 0 0 379.157 2.854 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598619663 565630049 /nfs/dbraw/zinc/63/00/49/565630049.db2.gz SVUIJMAAPQEVQB-ZUZCIYMTSA-N 0 0 378.397 2.645 20 5 GFBDRN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598754652 565640464 /nfs/dbraw/zinc/64/04/64/565640464.db2.gz CNMLSEFMVUXOKW-MGEMXXMPSA-N 0 0 389.271 2.777 20 5 GFBDRN Cc1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(N(C)C)nn1 ZINC000598853295 565646520 /nfs/dbraw/zinc/64/65/20/565646520.db2.gz JOUUXEGOPZUCQE-UHFFFAOYSA-N 0 0 386.231 2.836 20 5 GFBDRN O=[N+]([O-])c1ccc(NCC(F)(F)C(F)F)c(S(=O)(=O)N2CCCC2)c1 ZINC000599113070 565656834 /nfs/dbraw/zinc/65/68/34/565656834.db2.gz YIIDRQWKGFBGSD-UHFFFAOYSA-N 0 0 385.339 2.692 20 5 GFBDRN Cn1cc([C@H]2C[C@@H](Nc3ncc(Br)cc3[N+](=O)[O-])CCO2)cn1 ZINC000599107417 565656885 /nfs/dbraw/zinc/65/68/85/565656885.db2.gz JJFUAQXXGMCRBT-WCQYABFASA-N 0 0 382.218 2.818 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599122587 565657640 /nfs/dbraw/zinc/65/76/40/565657640.db2.gz DAXQLNJETIZTEI-APHBMKBZSA-N 0 0 379.825 2.646 20 5 GFBDRN C[C@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599221451 565662655 /nfs/dbraw/zinc/66/26/55/565662655.db2.gz YVVHYYOAESIXFF-SNVBAGLBSA-N 0 0 384.845 2.896 20 5 GFBDRN CCO[C@@H](CS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000599273698 565665621 /nfs/dbraw/zinc/66/56/21/565665621.db2.gz HBLWIZYUPONGGJ-HNNXBMFYSA-N 0 0 376.862 2.525 20 5 GFBDRN C[N@@H+]1CCCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415620 565677164 /nfs/dbraw/zinc/67/71/64/565677164.db2.gz PTEYOJGBLQNVNU-JTQLQIEISA-N 0 0 396.296 2.912 20 5 GFBDRN Cc1noc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000599573805 565690360 /nfs/dbraw/zinc/69/03/60/565690360.db2.gz YGJHJYJOQZKDOF-MRXNPFEDSA-N 0 0 396.241 2.663 20 5 GFBDRN C/C=C/C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)OCC ZINC000599772981 565700358 /nfs/dbraw/zinc/70/03/58/565700358.db2.gz MHJVNDCRLFGELK-TZNOJPMFSA-N 0 0 385.214 2.985 20 5 GFBDRN C[C@@H]1OCC[C@]12CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599850199 565704910 /nfs/dbraw/zinc/70/49/10/565704910.db2.gz SMTKMCZMTFTKCB-GDLVEWKHSA-N 0 0 399.241 2.766 20 5 GFBDRN COCCO[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599910277 565705523 /nfs/dbraw/zinc/70/55/23/565705523.db2.gz JTSQVDJPZYBUBM-LLVKDONJSA-N 0 0 387.230 2.625 20 5 GFBDRN Cn1nc2c(c1CNC(=O)c1c(Br)cccc1[N+](=O)[O-])CCCC2 ZINC000599956593 565708116 /nfs/dbraw/zinc/70/81/16/565708116.db2.gz FPPIOHZFUUSTNZ-UHFFFAOYSA-N 0 0 393.241 2.900 20 5 GFBDRN O=C(NCC1(CF)CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599990907 565710048 /nfs/dbraw/zinc/71/00/48/565710048.db2.gz WFKYVSGEJFWRCX-UHFFFAOYSA-N 0 0 375.194 2.853 20 5 GFBDRN O=C(NC[C@H]1CCCN1CC(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600256500 565719675 /nfs/dbraw/zinc/71/96/75/565719675.db2.gz SAHINILAOQGYNI-LLVKDONJSA-N 0 0 392.200 2.817 20 5 GFBDRN O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000600311717 565723439 /nfs/dbraw/zinc/72/34/39/565723439.db2.gz QQMIFGPPGJXUGO-AWEZNQCLSA-N 0 0 381.841 2.945 20 5 GFBDRN 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606715530 /nfs/dbraw/zinc/71/55/30/606715530.db2.gz KDUIPKMPFPGSKJ-UHFFFAOYSA-N 0 0 378.352 2.745 20 5 GFBDRN CC(C)[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000820026672 606720492 /nfs/dbraw/zinc/72/04/92/606720492.db2.gz LJHGBNDLUDWLKM-OAHLLOKOSA-N 0 0 379.384 2.627 20 5 GFBDRN Cc1cc(=O)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822160958 606785760 /nfs/dbraw/zinc/78/57/60/606785760.db2.gz MJSSXMYTUKHKSC-UHFFFAOYSA-N 0 0 388.387 2.960 20 5 GFBDRN CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821417844 606991453 /nfs/dbraw/zinc/99/14/53/606991453.db2.gz UKULGXJZAWKGEN-UHFFFAOYSA-N 0 0 387.327 2.670 20 5 GFBDRN COc1cc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccc1OC(C)C ZINC000821717230 607167064 /nfs/dbraw/zinc/16/70/64/607167064.db2.gz MFGCDRVNFWLRNY-UHFFFAOYSA-N 0 0 385.384 2.578 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000826272294 607866879 /nfs/dbraw/zinc/86/68/79/607866879.db2.gz CHYLDSXOJYBUKI-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN CCc1ccc(OCc2cccc(C(=O)OC)c2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000825717931 607893056 /nfs/dbraw/zinc/89/30/56/607893056.db2.gz RIYVZQLGYTWGTI-UHFFFAOYSA-N 0 0 383.364 2.703 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H]1CCCN(c2ccccc2F)C1 ZINC000826497697 608099279 /nfs/dbraw/zinc/09/92/79/608099279.db2.gz QJNIAOYQGLTGLE-ZDUSSCGKSA-N 0 0 383.387 2.995 20 5 GFBDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000825972072 608105904 /nfs/dbraw/zinc/10/59/04/608105904.db2.gz UWLVMVUERIOXKN-UHFFFAOYSA-N 0 0 377.364 2.528 20 5 GFBDRN CN(C)c1ccc(COC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825879930 608129630 /nfs/dbraw/zinc/12/96/30/608129630.db2.gz STTCUZVVLZQCRV-UHFFFAOYSA-N 0 0 396.407 2.517 20 5 GFBDRN O=[N+]([O-])c1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826497990 608153961 /nfs/dbraw/zinc/15/39/61/608153961.db2.gz CBFFCMZOTFRFAO-UHFFFAOYSA-N 0 0 381.352 2.852 20 5 GFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824721939 608183512 /nfs/dbraw/zinc/18/35/12/608183512.db2.gz FPYPOEMIUPECGQ-NSHDSACASA-N 0 0 382.380 2.759 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826255971 608308609 /nfs/dbraw/zinc/30/86/09/608308609.db2.gz PYGPRJYEBQRYFA-UHFFFAOYSA-N 0 0 388.409 2.501 20 5 GFBDRN Cn1ncc2c1CCC[C@@H]2Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366660 608366282 /nfs/dbraw/zinc/36/62/82/608366282.db2.gz SIGOIRLUKHISRW-AWEZNQCLSA-N 0 0 391.395 2.546 20 5 GFBDRN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627451 608465565 /nfs/dbraw/zinc/46/55/65/608465565.db2.gz XIHOEEAPZFMZIA-NSHDSACASA-N 0 0 392.379 2.676 20 5 GFBDRN O=[N+]([O-])c1ccccc1C=CCN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826500407 608852023 /nfs/dbraw/zinc/85/20/23/608852023.db2.gz XOHKZJIGDJRDKM-LKJUBWIJSA-N 0 0 392.419 2.862 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826500623 609280160 /nfs/dbraw/zinc/28/01/60/609280160.db2.gz FPQGZWGWMPAHFW-UHFFFAOYSA-N 0 0 380.343 2.712 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000826173898 609313151 /nfs/dbraw/zinc/31/31/51/609313151.db2.gz ZYYJCQYXRBRWSC-UHFFFAOYSA-N 0 0 377.364 2.695 20 5 GFBDRN CC(=CC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943802 609477145 /nfs/dbraw/zinc/47/71/45/609477145.db2.gz UJIVRVFEXUWZAM-ACCUITESSA-N 0 0 378.392 2.837 20 5 GFBDRN O=C1[C@H](Nc2cccc(F)c2[N+](=O)[O-])CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478292 609575821 /nfs/dbraw/zinc/57/58/21/609575821.db2.gz YKWBEMUKIIIBQP-OAHLLOKOSA-N 0 0 397.370 2.522 20 5 GFBDRN Cc1c(Br)c(NCCc2nnc3n2CCCC3)ncc1[N+](=O)[O-] ZINC000541597738 650878377 /nfs/dbraw/zinc/87/83/77/650878377.db2.gz XMGOLUKKLBDQHV-UHFFFAOYSA-N 0 0 381.234 2.643 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NOCC1CC1 ZINC000817330019 660190567 /nfs/dbraw/zinc/19/05/67/660190567.db2.gz HSRXFMVTKUTZFC-UHFFFAOYSA-N 0 0 376.150 2.579 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NOCCC1CC1 ZINC000817383796 660192929 /nfs/dbraw/zinc/19/29/29/660192929.db2.gz VAEWTNKRHOTJIN-UHFFFAOYSA-N 0 0 390.177 2.969 20 5 GFBDRN CC(C)(CCc1noc(-c2cccc(S(=O)(=O)C(F)F)c2)n1)[N+](=O)[O-] ZINC000817397499 660193786 /nfs/dbraw/zinc/19/37/86/660193786.db2.gz NHSSHPIHCJABJP-UHFFFAOYSA-N 0 0 375.353 2.721 20 5 GFBDRN CC(C)(CCC(=O)Nc1nn(CC(F)(F)F)cc1Br)[N+](=O)[O-] ZINC000817481568 660198058 /nfs/dbraw/zinc/19/80/58/660198058.db2.gz TXPRJODEWHSHID-UHFFFAOYSA-N 0 0 387.156 2.982 20 5 GFBDRN Nn1c(Sc2ncnc3sc([N+](=O)[O-])cc32)nnc1-c1cccs1 ZINC000804557909 659657032 /nfs/dbraw/zinc/65/70/32/659657032.db2.gz VAWDRKZAPPLBBE-UHFFFAOYSA-N 0 0 377.436 2.785 20 5 GFBDRN Cc1cc(CN2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)on1 ZINC000820609045 660299302 /nfs/dbraw/zinc/29/93/02/660299302.db2.gz CJFMAVKZOOOTBO-UHFFFAOYSA-N 0 0 381.230 2.976 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000821543156 660328643 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GFBDRN CC(C)(O)C1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000827759360 660513506 /nfs/dbraw/zinc/51/35/06/660513506.db2.gz FSCAHRKQXIHPIB-UHFFFAOYSA-N 0 0 385.258 2.909 20 5 GFBDRN NS(=O)(=O)c1cc2c(s1)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827774997 660514203 /nfs/dbraw/zinc/51/42/03/660514203.db2.gz AYIIWPGHSSKSAK-UHFFFAOYSA-N 0 0 387.870 2.515 20 5 GFBDRN C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)CC(F)F ZINC000827881068 660521017 /nfs/dbraw/zinc/52/10/17/660521017.db2.gz AAWPETHUUQPDTE-ZETCQYMHSA-N 0 0 387.202 2.927 20 5 GFBDRN Cc1ccc(N2CC[C@@H](CN3CCOC3=O)C2)c([N+](=O)[O-])c1Br ZINC000828273533 660541763 /nfs/dbraw/zinc/54/17/63/660541763.db2.gz MOMBSVROFZUOBT-LLVKDONJSA-N 0 0 384.230 2.944 20 5 GFBDRN Cc1cc(N2CC[C@@H](CN3CCOC3=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000828273954 660541790 /nfs/dbraw/zinc/54/17/90/660541790.db2.gz QJZRWPKFBGVAMP-LLVKDONJSA-N 0 0 384.230 2.944 20 5 GFBDRN CC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)C ZINC000828812723 660571304 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Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000155866723 655087880 /nfs/dbraw/zinc/08/78/80/655087880.db2.gz APNZLOMDFKXVBJ-VQISRLSMSA-N 0 0 386.857 2.793 20 5 GFBDRN CCCc1cnc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000271813300 655095514 /nfs/dbraw/zinc/09/55/14/655095514.db2.gz BJNSZAQQJSULRX-UHFFFAOYSA-N 0 0 380.451 2.834 20 5 GFBDRN CC(C)COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158115762 655104774 /nfs/dbraw/zinc/10/47/74/655104774.db2.gz AZKBXPBSLUJKJY-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nn2c1OCCC2 ZINC000839310128 661079086 /nfs/dbraw/zinc/07/90/86/661079086.db2.gz KHWUJKSGVPBKGJ-UHFFFAOYSA-N 0 0 381.186 2.897 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000272398929 655111322 /nfs/dbraw/zinc/11/13/22/655111322.db2.gz BSTMMEWZFWIRSP-VIFPVBQESA-N 0 0 384.223 2.644 20 5 GFBDRN CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839380896 661081895 /nfs/dbraw/zinc/08/18/95/661081895.db2.gz DBXPAIVNNYWANT-LBPRGKRZSA-N 0 0 376.743 2.955 20 5 GFBDRN O=C1c2ccccc2S(=O)(=O)N1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000839446985 661084344 /nfs/dbraw/zinc/08/43/44/661084344.db2.gz UAFAJPXXZYFNAF-UHFFFAOYSA-N 0 0 378.431 2.673 20 5 GFBDRN Cc1nn(C)cc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000273525608 655146541 /nfs/dbraw/zinc/14/65/41/655146541.db2.gz RCTAUOUCMMTHMY-UHFFFAOYSA-N 0 0 378.332 2.542 20 5 GFBDRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273561527 655148462 /nfs/dbraw/zinc/14/84/62/655148462.db2.gz BPPPSHMXRVSXKC-UHFFFAOYSA-N 0 0 382.207 2.654 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000172602270 655158925 /nfs/dbraw/zinc/15/89/25/655158925.db2.gz CRUFQXDVMKXFEK-UHFFFAOYSA-N 0 0 378.797 2.647 20 5 GFBDRN Cc1cc(Cl)c(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000839282598 661077930 /nfs/dbraw/zinc/07/79/30/661077930.db2.gz LXCOBQBYPRUHRV-CQSZACIVSA-N 0 0 385.873 2.939 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111354577 655170792 /nfs/dbraw/zinc/17/07/92/655170792.db2.gz SDWISUHHCQERMO-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ccc(Br)nc2)cc([N+](=O)[O-])c1 ZINC000173443210 655172735 /nfs/dbraw/zinc/17/27/35/655172735.db2.gz SARXIOQCDUIZQL-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN CN(Cc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000173547303 655174363 /nfs/dbraw/zinc/17/43/63/655174363.db2.gz GMHVNGBPBMAMEK-UHFFFAOYSA-N 0 0 392.256 2.635 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113078153 655202871 /nfs/dbraw/zinc/20/28/71/655202871.db2.gz SAFXEGNWTKKNFB-ZDUSSCGKSA-N 0 0 382.203 2.867 20 5 GFBDRN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000113075352 655202905 /nfs/dbraw/zinc/20/29/05/655202905.db2.gz QIRBNEQOTBMVMV-YGRLFVJLSA-N 0 0 385.873 2.924 20 5 GFBDRN O=[N+]([O-])c1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1Br ZINC000839528421 661090196 /nfs/dbraw/zinc/09/01/96/661090196.db2.gz RNUSPKKPGWXGCH-LBPRGKRZSA-N 0 0 380.246 2.861 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114742144 655228303 /nfs/dbraw/zinc/22/83/03/655228303.db2.gz AUHMJXJKFWVHKQ-NSHDSACASA-N 0 0 383.451 2.628 20 5 GFBDRN COC(=O)C[C@]1(NCc2cccc([N+](=O)[O-])c2Br)CCCOC1 ZINC000839561469 661091990 /nfs/dbraw/zinc/09/19/90/661091990.db2.gz SOCMTCOWNAACLV-OAHLLOKOSA-N 0 0 387.230 2.559 20 5 GFBDRN Nc1c(C(=O)NCc2cc3c(c(Br)c2)OCO3)cccc1[N+](=O)[O-] ZINC000176194611 655239140 /nfs/dbraw/zinc/23/91/40/655239140.db2.gz JSZUVAUKKLOSKU-UHFFFAOYSA-N 0 0 394.181 2.598 20 5 GFBDRN Cn1nc(Br)c2c1ncn(Cc1ccc(Cl)cc1[N+](=O)[O-])c2=O ZINC000115966084 655243483 /nfs/dbraw/zinc/24/34/83/655243483.db2.gz WTIHVAOQZLCRAZ-UHFFFAOYSA-N 0 0 398.604 2.502 20 5 GFBDRN Cc1nn(CCC(=O)NCCc2ccccc2Br)c(C)c1[N+](=O)[O-] ZINC000116656596 655250855 /nfs/dbraw/zinc/25/08/55/655250855.db2.gz TVGIXLGZXJPTQF-UHFFFAOYSA-N 0 0 395.257 2.920 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCSc2ccc(Cl)cc21 ZINC000176768939 655255917 /nfs/dbraw/zinc/25/59/17/655255917.db2.gz MQAKUKGMUDNOTD-UHFFFAOYSA-N 0 0 379.825 2.939 20 5 GFBDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276050856 655260373 /nfs/dbraw/zinc/26/03/73/655260373.db2.gz AGSWTUWYSSDFHC-NSHDSACASA-N 0 0 390.483 2.534 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(-c3cnccn3)no2)c(I)c1 ZINC000177029279 655265212 /nfs/dbraw/zinc/26/52/12/655265212.db2.gz FMLMIGWQDAAPJI-UHFFFAOYSA-N 0 0 395.116 2.706 20 5 GFBDRN CS(=O)(=O)NCc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000117851174 655268508 /nfs/dbraw/zinc/26/85/08/655268508.db2.gz UKELSQJQNGUXER-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000839822587 661109775 /nfs/dbraw/zinc/10/97/75/661109775.db2.gz MFNFWGMGEPVYMD-CYBMUJFWSA-N 0 0 382.214 2.501 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000118752009 655281714 /nfs/dbraw/zinc/28/17/14/655281714.db2.gz YKNGPLTZIDGNHY-CYBMUJFWSA-N 0 0 381.797 2.898 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1[N+](=O)[O-] ZINC000118941661 655283462 /nfs/dbraw/zinc/28/34/62/655283462.db2.gz ZQLQMQFEQXQHII-UHFFFAOYSA-N 0 0 392.220 2.710 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)C1CC1 ZINC000839859834 661115027 /nfs/dbraw/zinc/11/50/27/661115027.db2.gz ROPIJAFIKLDQKG-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN C[C@@H]1C[C@@H](NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CS1 ZINC000839833281 661112804 /nfs/dbraw/zinc/11/28/04/661112804.db2.gz CAWXCJOSISXPEA-MWLCHTKSSA-N 0 0 388.287 2.804 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cs1 ZINC000119767656 655314429 /nfs/dbraw/zinc/31/44/29/655314429.db2.gz XOPJEKQBLROMGN-AWEZNQCLSA-N 0 0 381.479 2.599 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cs1 ZINC000119939894 655322015 /nfs/dbraw/zinc/32/20/15/655322015.db2.gz LADGSSLKODXQQW-JQWIXIFHSA-N 0 0 388.492 2.995 20 5 GFBDRN Cc1nc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)nc2ccccc12 ZINC000120176768 655330265 /nfs/dbraw/zinc/33/02/65/655330265.db2.gz LDLOCVBVYNHVMP-UHFFFAOYSA-N 0 0 375.182 2.819 20 5 GFBDRN CN(Cc1ccc(Cl)nc1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120275341 655333745 /nfs/dbraw/zinc/33/37/45/655333745.db2.gz MEQWXGIPSVJHEP-UHFFFAOYSA-N 0 0 383.191 2.894 20 5 GFBDRN Cc1ccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c(Br)n1 ZINC000120333713 655335293 /nfs/dbraw/zinc/33/52/93/655335293.db2.gz BHAMOHBPMZNJRI-UHFFFAOYSA-N 0 0 379.213 2.890 20 5 GFBDRN CN(C)S(=O)(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000120816262 655344500 /nfs/dbraw/zinc/34/45/00/655344500.db2.gz UBPOHKSKAXPQHW-UHFFFAOYSA-N 0 0 383.813 2.751 20 5 GFBDRN Cc1cncc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000120835659 655344965 /nfs/dbraw/zinc/34/49/65/655344965.db2.gz KSODWUNFCRPFLO-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)c(Cl)c1 ZINC000120900810 655346453 /nfs/dbraw/zinc/34/64/53/655346453.db2.gz VQNPFIDEVFOUPV-CYBMUJFWSA-N 0 0 391.232 2.914 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000121245806 655348676 /nfs/dbraw/zinc/34/86/76/655348676.db2.gz HCTCQWAWLGBRBM-GFCCVEGCSA-N 0 0 391.232 2.914 20 5 GFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccnc1Br ZINC000121383058 655349345 /nfs/dbraw/zinc/34/93/45/655349345.db2.gz RKCBUEPYLRVPAX-UHFFFAOYSA-N 0 0 376.163 2.692 20 5 GFBDRN C[C@@H](CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000298609034 655373556 /nfs/dbraw/zinc/37/35/56/655373556.db2.gz MAFTXXZUYYSQNZ-VIFPVBQESA-N 0 0 382.829 2.905 20 5 GFBDRN Cc1c(Br)c(NCC(=O)NCc2ccccc2)ncc1[N+](=O)[O-] ZINC000303591742 655378071 /nfs/dbraw/zinc/37/80/71/655378071.db2.gz DADJUZIORFNTBY-UHFFFAOYSA-N 0 0 379.214 2.789 20 5 GFBDRN C[C@@H]1SCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313257182 655379891 /nfs/dbraw/zinc/37/98/91/655379891.db2.gz YGHCLKDISROTFR-IONNQARKSA-N 0 0 381.273 2.530 20 5 GFBDRN CC1(C)C[C@@H](CNc2c(I)cncc2[N+](=O)[O-])CCO1 ZINC000418962304 655405963 /nfs/dbraw/zinc/40/59/63/655405963.db2.gz KHXCJXDLKQBWBF-VIFPVBQESA-N 0 0 391.209 2.633 20 5 GFBDRN CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000193816404 655412766 /nfs/dbraw/zinc/41/27/66/655412766.db2.gz OKZNVSHFMHPGDB-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN O=[N+]([O-])c1nn(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Br ZINC000840130061 661137385 /nfs/dbraw/zinc/13/73/85/661137385.db2.gz JADBANKZEMINQE-YPMHNXCESA-N 0 0 385.262 2.792 20 5 GFBDRN Cc1cc(C)nc(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000567197832 655425122 /nfs/dbraw/zinc/42/51/22/655425122.db2.gz MGBHXGCFMDSTMM-UHFFFAOYSA-N 0 0 379.214 2.970 20 5 GFBDRN O=[N+]([O-])c1nn(CN2CCOC[C@H]2c2ccc(F)cc2)cc1Br ZINC000840137291 661138731 /nfs/dbraw/zinc/13/87/31/661138731.db2.gz GBYUDUSOOBWVQY-ZDUSSCGKSA-N 0 0 385.193 2.724 20 5 GFBDRN CC(C)Oc1nc(Sc2nnc(N3CCOCC3)s2)ccc1[N+](=O)[O-] ZINC000576716365 655451460 /nfs/dbraw/zinc/45/14/60/655451460.db2.gz RNSNRNVJFDDTIW-UHFFFAOYSA-N 0 0 383.455 2.616 20 5 GFBDRN CNc1nccc(C(=O)N(C)Cc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000576956205 655455266 /nfs/dbraw/zinc/45/52/66/655455266.db2.gz ZXECOFULYPHUGY-UHFFFAOYSA-N 0 0 393.241 2.797 20 5 GFBDRN CC(C)(C)c1csc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000264240338 655459585 /nfs/dbraw/zinc/45/95/85/655459585.db2.gz JIGUAQDNWGESGJ-UHFFFAOYSA-N 0 0 384.483 2.651 20 5 GFBDRN CC(C)c1nnc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000264463389 655464389 /nfs/dbraw/zinc/46/43/89/655464389.db2.gz HHYMUDATGIMUOH-UHFFFAOYSA-N 0 0 383.817 2.592 20 5 GFBDRN COc1cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc(OC)c1Br ZINC000578688436 655484733 /nfs/dbraw/zinc/48/47/33/655484733.db2.gz YSJGRGRJZNPYCO-UHFFFAOYSA-N 0 0 397.185 2.612 20 5 GFBDRN CC(C)(CNc1c(Br)cccc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000596135939 655514040 /nfs/dbraw/zinc/51/40/40/655514040.db2.gz OGQPGYDQPUGPIK-UHFFFAOYSA-N 0 0 390.303 2.612 20 5 GFBDRN COc1cc(NCC(C)(C)N2CCS(=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596135523 655514077 /nfs/dbraw/zinc/51/40/77/655514077.db2.gz IXEFESHZSXBHCT-UHFFFAOYSA-N 0 0 375.878 2.512 20 5 GFBDRN CC(C)(C)NC(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596194826 655514788 /nfs/dbraw/zinc/51/47/88/655514788.db2.gz AJFRHRGCIXUGNS-UHFFFAOYSA-N 0 0 385.262 2.987 20 5 GFBDRN NC(=O)c1cc(NCCCCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000596222636 655515014 /nfs/dbraw/zinc/51/50/14/655515014.db2.gz KUDATAWTCATLPH-UHFFFAOYSA-N 0 0 382.218 2.545 20 5 GFBDRN C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000596900864 655516908 /nfs/dbraw/zinc/51/69/08/655516908.db2.gz ZGMGPSHBKUDOQR-HQJQHLMTSA-N 0 0 381.190 2.776 20 5 GFBDRN CO[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000596900695 655516912 /nfs/dbraw/zinc/51/69/12/655516912.db2.gz UGXCOMUWOKXYSL-TVQRCGJNSA-N 0 0 388.218 2.530 20 5 GFBDRN COC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000711902470 655522602 /nfs/dbraw/zinc/52/26/02/655522602.db2.gz ATTOYRVORLAKHV-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN COC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725815820 655526513 /nfs/dbraw/zinc/52/65/13/655526513.db2.gz NBWMHHWISHDHCM-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN O=C(Cn1cc(Br)cn1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000726194798 655532069 /nfs/dbraw/zinc/53/20/69/655532069.db2.gz YTNFXIMVAXUWOR-UHFFFAOYSA-N 0 0 391.185 2.583 20 5 GFBDRN CO[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000840344632 661155987 /nfs/dbraw/zinc/15/59/87/661155987.db2.gz ZKWNMAJFKCRGBC-CHWSQXEVSA-N 0 0 376.381 2.961 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Br)cn1 ZINC000727555991 655547190 /nfs/dbraw/zinc/54/71/90/655547190.db2.gz MMWCUAXJWUBQPY-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN COCCCCOC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000728768652 655558929 /nfs/dbraw/zinc/55/89/29/655558929.db2.gz NNQQRSQTMDGIDG-UHFFFAOYSA-N 0 0 379.150 2.783 20 5 GFBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1coc(Br)c1 ZINC000731510588 655583980 /nfs/dbraw/zinc/58/39/80/655583980.db2.gz KPILIYPZFACWKM-LBPRGKRZSA-N 0 0 395.165 2.913 20 5 GFBDRN CN(CC(=O)NCC(=O)c1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000732196576 655592759 /nfs/dbraw/zinc/59/27/59/655592759.db2.gz BXGAWZAMBCUWCH-UHFFFAOYSA-N 0 0 381.841 2.741 20 5 GFBDRN Cn1ncc2c1C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000840542552 661169339 /nfs/dbraw/zinc/16/93/39/661169339.db2.gz GNZDGYSNMWUCEE-JTQLQIEISA-N 0 0 394.225 2.939 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1OCCc2ccccc21 ZINC000733317491 655611924 /nfs/dbraw/zinc/61/19/24/655611924.db2.gz PHURDVFVMYEKRI-OAHLLOKOSA-N 0 0 382.825 2.841 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000840500300 661165943 /nfs/dbraw/zinc/16/59/43/661165943.db2.gz XVCYNTCZJAOBGL-CQSZACIVSA-N 0 0 386.857 2.596 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840505966 661166718 /nfs/dbraw/zinc/16/67/18/661166718.db2.gz VLIAWDKHCUZPEN-BXUZGUMPSA-N 0 0 392.209 2.700 20 5 GFBDRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000840509386 661167044 /nfs/dbraw/zinc/16/70/44/661167044.db2.gz NTONKPIEYOHRRL-CQSZACIVSA-N 0 0 382.214 2.501 20 5 GFBDRN COC(=O)[C@H](C)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000734482003 655631388 /nfs/dbraw/zinc/63/13/88/655631388.db2.gz GUFSVOVGPFPEGP-SSDOTTSWSA-N 0 0 387.357 2.790 20 5 GFBDRN O=C(OCc1cccc([N+](=O)[O-])c1Br)c1cn(CC2CC2)nn1 ZINC000840582140 661172226 /nfs/dbraw/zinc/17/22/26/661172226.db2.gz UNFOPXZFERMYQV-UHFFFAOYSA-N 0 0 381.186 2.716 20 5 GFBDRN Cc1ccc(NCCCNS(=O)(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000739980698 655696013 /nfs/dbraw/zinc/69/60/13/655696013.db2.gz YXBAHTALTGMXIV-UHFFFAOYSA-N 0 0 384.845 2.732 20 5 GFBDRN COC(=O)C[C@H]1CSCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000740855103 655699886 /nfs/dbraw/zinc/69/98/86/655699886.db2.gz OWZKOYKPLSZJGL-NSHDSACASA-N 0 0 383.451 2.810 20 5 GFBDRN CC(C)OCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000740894127 655700528 /nfs/dbraw/zinc/70/05/28/655700528.db2.gz KTJWFOLRGSKEMO-UHFFFAOYSA-N 0 0 395.275 2.793 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@@H](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000741241158 655704041 /nfs/dbraw/zinc/70/40/41/655704041.db2.gz BEBIHCZOSPAEES-QMMMGPOBSA-N 0 0 390.190 2.847 20 5 GFBDRN CN(CC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746630233 655765197 /nfs/dbraw/zinc/76/51/97/655765197.db2.gz AEHKXXOPWPYUDQ-UHFFFAOYSA-N 0 0 377.138 2.540 20 5 GFBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=S)Nc2ccsc2)CC1 ZINC000840766293 661185464 /nfs/dbraw/zinc/18/54/64/661185464.db2.gz LTZYIJHWLRBWRR-UHFFFAOYSA-N 0 0 376.463 2.811 20 5 GFBDRN Nc1c(Br)cc(Cl)cc1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748129993 655787862 /nfs/dbraw/zinc/78/78/62/655787862.db2.gz JBMVFOBUHOITDI-UHFFFAOYSA-N 0 0 389.593 2.646 20 5 GFBDRN CC(C)N1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O ZINC000748182754 655788419 /nfs/dbraw/zinc/78/84/19/655788419.db2.gz MGMPSJAYNSIMQU-ZDUSSCGKSA-N 0 0 385.214 2.914 20 5 GFBDRN COC(=O)c1csc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000749257016 655802270 /nfs/dbraw/zinc/80/22/70/655802270.db2.gz UCVWACZICKNSOQ-UHFFFAOYSA-N 0 0 377.783 2.864 20 5 GFBDRN O=C(COC(=O)c1csc2cncn21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000749376820 655803855 /nfs/dbraw/zinc/80/38/55/655803855.db2.gz CNAHDTVARJNREX-UHFFFAOYSA-N 0 0 380.769 2.753 20 5 GFBDRN O=C(OCCCn1ccccc1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751174990 655822500 /nfs/dbraw/zinc/82/25/00/655822500.db2.gz FSYQOBLSQXPQGO-UHFFFAOYSA-N 0 0 381.182 2.766 20 5 GFBDRN O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000751409505 655826740 /nfs/dbraw/zinc/82/67/40/655826740.db2.gz ACEKSHYIZOTVQB-ZDUSSCGKSA-N 0 0 377.706 2.756 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](O)c1c(F)cccc1F ZINC000751431547 655827127 /nfs/dbraw/zinc/82/71/27/655827127.db2.gz XXTABDUWRHBQFJ-LBPRGKRZSA-N 0 0 392.767 2.538 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000751440890 655827606 /nfs/dbraw/zinc/82/76/06/655827606.db2.gz JEJYBFKJLMPOSY-CYBMUJFWSA-N 0 0 388.804 2.708 20 5 GFBDRN COCCc1noc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000751642265 655831972 /nfs/dbraw/zinc/83/19/72/655831972.db2.gz CALZAFBPAWTTSV-UHFFFAOYSA-N 0 0 387.801 2.656 20 5 GFBDRN Cc1nc2sccc2c(=O)n1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000751885706 655835536 /nfs/dbraw/zinc/83/55/36/655835536.db2.gz FJDSWVNYHFIVCE-UHFFFAOYSA-N 0 0 376.419 2.537 20 5 GFBDRN Cc1csc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000752232556 655841074 /nfs/dbraw/zinc/84/10/74/655841074.db2.gz ARGUDIAWSYJNQV-UHFFFAOYSA-N 0 0 375.859 2.843 20 5 GFBDRN Cc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2I)ncn1 ZINC000753225589 655851543 /nfs/dbraw/zinc/85/15/43/655851543.db2.gz VGMLAVBATYHTPL-UHFFFAOYSA-N 0 0 399.144 2.655 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000754210475 655865224 /nfs/dbraw/zinc/86/52/24/655865224.db2.gz NTWUXFPYWAOYFT-MRXNPFEDSA-N 0 0 378.226 2.844 20 5 GFBDRN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)Nc1ccccc1 ZINC000754634315 655870585 /nfs/dbraw/zinc/87/05/85/655870585.db2.gz BOQFBYZFFZZEOH-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN CCn1cc(S(=O)(=O)Oc2ccc(Br)c(C)c2)c([N+](=O)[O-])n1 ZINC000754809249 655874072 /nfs/dbraw/zinc/87/40/72/655874072.db2.gz KMKWJYXCHZVNFM-UHFFFAOYSA-N 0 0 390.215 2.650 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)(C)C ZINC000754975667 655877730 /nfs/dbraw/zinc/87/77/30/655877730.db2.gz DBEYBISNCUAEQS-NSHDSACASA-N 0 0 391.193 2.814 20 5 GFBDRN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755008907 655878333 /nfs/dbraw/zinc/87/83/33/655878333.db2.gz PQPIVGVESHIILO-SECBINFHSA-N 0 0 383.177 2.507 20 5 GFBDRN COC(=O)CCC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755008490 655878376 /nfs/dbraw/zinc/87/83/76/655878376.db2.gz NHHGGOXJCRSOCJ-UHFFFAOYSA-N 0 0 391.193 2.958 20 5 GFBDRN CCOC(=O)[C@@H](CC1CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000755388942 655882796 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O=C(NCCc1ccccc1[N+](=O)[O-])c1cccnc1I ZINC000758293965 655928674 /nfs/dbraw/zinc/92/86/74/655928674.db2.gz UIMRABQPFGSHBY-UHFFFAOYSA-N 0 0 397.172 2.567 20 5 GFBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000758445973 655932984 /nfs/dbraw/zinc/93/29/84/655932984.db2.gz YCUPQTBHXYODMF-UHFFFAOYSA-N 0 0 376.221 2.818 20 5 GFBDRN CON(C1CCCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000758643916 655937728 /nfs/dbraw/zinc/93/77/28/655937728.db2.gz XYRPTJMYTBOPMI-UHFFFAOYSA-N 0 0 379.232 2.852 20 5 GFBDRN COC(=O)c1sc(C)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000759255851 655951339 /nfs/dbraw/zinc/95/13/39/655951339.db2.gz SKGGBAWHUCHURY-UHFFFAOYSA-N 0 0 387.391 2.528 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCCC12OCCO2 ZINC000759757383 655962597 /nfs/dbraw/zinc/96/25/97/655962597.db2.gz JLHHBQWHMPFCHD-AWEZNQCLSA-N 0 0 390.845 2.521 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc(Cl)cn1 ZINC000760611435 655987879 /nfs/dbraw/zinc/98/78/79/655987879.db2.gz AEZJSADFLWPKAL-UHFFFAOYSA-N 0 0 392.220 2.654 20 5 GFBDRN COC(=O)c1cccc(CS(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000760616344 655988231 /nfs/dbraw/zinc/98/82/31/655988231.db2.gz HOKFTUHBEYQLLB-UHFFFAOYSA-N 0 0 385.781 2.944 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1nc2cc[nH]cc-2n1 ZINC000760712542 655990339 /nfs/dbraw/zinc/99/03/39/655990339.db2.gz UUGXZYBVCAEXQB-UHFFFAOYSA-N 0 0 376.170 2.810 20 5 GFBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1Br ZINC000761983212 656027159 /nfs/dbraw/zinc/02/71/59/656027159.db2.gz NBMQEEUPXGXNIK-VIFPVBQESA-N 0 0 394.181 2.936 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(Br)n1 ZINC000763770191 656093240 /nfs/dbraw/zinc/09/32/40/656093240.db2.gz HPLSTDZQJDPEDO-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)CC(F)(F)F ZINC000763815408 656094211 /nfs/dbraw/zinc/09/42/11/656094211.db2.gz RTZRECXBWKCMKI-UHFFFAOYSA-N 0 0 380.344 2.884 20 5 GFBDRN Cc1c(Br)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(=O)n1C 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COC(=O)[C@@](C)(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000185293001 552360388 /nfs/dbraw/zinc/36/03/88/552360388.db2.gz GGCGGSXDPKJASV-HNNXBMFYSA-N 0 0 387.223 2.776 20 5 GFBDRN CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCS1 ZINC000185801720 552370783 /nfs/dbraw/zinc/37/07/83/552370783.db2.gz JUXFWPBOAVPFFJ-CQSZACIVSA-N 0 0 381.479 2.905 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000186222372 552382457 /nfs/dbraw/zinc/38/24/57/552382457.db2.gz ARBIVRHCEIUZAK-QMMMGPOBSA-N 0 0 386.323 2.706 20 5 GFBDRN Cc1nc2cc(Br)cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2o1 ZINC000187437493 552415580 /nfs/dbraw/zinc/41/55/80/552415580.db2.gz DSVPEUNYNKWHOF-UHFFFAOYSA-N 0 0 380.158 2.642 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000188020272 552431506 /nfs/dbraw/zinc/43/15/06/552431506.db2.gz WQEFGPLGDBOBJF-UHFFFAOYSA-N 0 0 396.172 2.796 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCc2ccc(Br)cc2OC)c1[N+](=O)[O-] ZINC000188438517 552444765 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GFBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000192373212 552561402 /nfs/dbraw/zinc/56/14/02/552561402.db2.gz XNUSYBIWZMNVGX-LLVKDONJSA-N 0 0 394.229 2.501 20 5 GFBDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193728053 553001470 /nfs/dbraw/zinc/00/14/70/553001470.db2.gz MYEIVKAWPPYHMA-QMMMGPOBSA-N 0 0 398.188 2.958 20 5 GFBDRN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194017298 553009919 /nfs/dbraw/zinc/00/99/19/553009919.db2.gz VXICVNQVWUJYRS-UHFFFAOYSA-N 0 0 391.181 2.869 20 5 GFBDRN Cc1ccnc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000194665511 553026112 /nfs/dbraw/zinc/02/61/12/553026112.db2.gz MBJABKYHNPHLGL-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000246501185 553108364 /nfs/dbraw/zinc/10/83/64/553108364.db2.gz BYKAIVSCJKYDOF-WCBZVUCDSA-N 0 0 394.902 2.606 20 5 GFBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 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CCOC(=O)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000295451226 563248365 /nfs/dbraw/zinc/24/83/65/563248365.db2.gz NRHGUWPFXRTRGJ-UHFFFAOYSA-N 0 0 384.801 2.766 20 5 GFBDRN CCN(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000295713605 563259408 /nfs/dbraw/zinc/25/94/08/563259408.db2.gz WSXDVGBWCDBFQR-ZDUSSCGKSA-N 0 0 386.246 2.590 20 5 GFBDRN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000370931063 563260443 /nfs/dbraw/zinc/26/04/43/563260443.db2.gz LUBDXSKNMJXICN-LBPRGKRZSA-N 0 0 385.833 2.591 20 5 GFBDRN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420470625 563265049 /nfs/dbraw/zinc/26/50/49/563265049.db2.gz XIZXDBSSSYMEHV-NSHDSACASA-N 0 0 382.269 2.568 20 5 GFBDRN CC(C)(C)c1cnc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000279188611 563287062 /nfs/dbraw/zinc/28/70/62/563287062.db2.gz SUAWHXGTMUGXNK-UHFFFAOYSA-N 0 0 383.495 2.912 20 5 GFBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000296541817 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/nfs/dbraw/zinc/64/47/87/563644787.db2.gz DGUNVNDSQIRYHV-ZETCQYMHSA-N 0 0 390.206 2.902 20 5 GFBDRN CC[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000435629995 563655732 /nfs/dbraw/zinc/65/57/32/563655732.db2.gz VPTJJTGLNAISMH-PSASIEDQSA-N 0 0 393.259 2.751 20 5 GFBDRN CCn1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000435802179 563659047 /nfs/dbraw/zinc/65/90/47/563659047.db2.gz XNMVPDGZXWVNQZ-UHFFFAOYSA-N 0 0 379.225 2.597 20 5 GFBDRN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1S(C)(=O)=O ZINC000436220130 563667961 /nfs/dbraw/zinc/66/79/61/563667961.db2.gz VHBRZAZURXTRCF-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000436473382 563671433 /nfs/dbraw/zinc/67/14/33/563671433.db2.gz HVTQKVARLBNCEO-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(Cn3cc(Br)cn3)n2)c1 ZINC000350890016 563678423 /nfs/dbraw/zinc/67/84/23/563678423.db2.gz LMVQOFPOZVLVQP-UHFFFAOYSA-N 0 0 394.185 2.585 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289664316 563682169 /nfs/dbraw/zinc/68/21/69/563682169.db2.gz ULRFIMKRDIEZLA-HIFRSBDPSA-N 0 0 386.857 2.970 20 5 GFBDRN CCC1(CC)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCS1(=O)=O ZINC000413229090 563686692 /nfs/dbraw/zinc/68/66/92/563686692.db2.gz BXYLOEIGICPEKM-UHFFFAOYSA-N 0 0 381.376 2.802 20 5 GFBDRN C[C@H](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)n1cc(Br)cn1 ZINC000351351945 563687055 /nfs/dbraw/zinc/68/70/55/563687055.db2.gz JKPIKRHNIIJSEJ-SECBINFHSA-N 0 0 393.201 2.726 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(COC[C@H]3CCOC3)no2)c(Br)c1 ZINC000351416083 563689786 /nfs/dbraw/zinc/68/97/86/563689786.db2.gz QOUBJHXIVJLCQM-VIFPVBQESA-N 0 0 384.186 2.960 20 5 GFBDRN Cc1c(CS(=O)(=O)Cc2nccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000437237066 563691249 /nfs/dbraw/zinc/69/12/49/563691249.db2.gz BOHTZGPAUUMTCM-UHFFFAOYSA-N 0 0 377.344 2.777 20 5 GFBDRN Cc1nc(C)c(CS(=O)(=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000437230880 563691322 /nfs/dbraw/zinc/69/13/22/563691322.db2.gz YVJXQAHKMSVWJM-UHFFFAOYSA-N 0 0 384.435 2.650 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437542574 563696924 /nfs/dbraw/zinc/69/69/24/563696924.db2.gz BFAWTEFLBGCIEF-SMDDNHRTSA-N 0 0 384.223 2.953 20 5 GFBDRN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000361186291 563697493 /nfs/dbraw/zinc/69/74/93/563697493.db2.gz CRSJAJULDKNAFX-AWEZNQCLSA-N 0 0 380.809 2.849 20 5 GFBDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000361292974 563698394 /nfs/dbraw/zinc/69/83/94/563698394.db2.gz PWLMBCWYUVTSCL-CYBMUJFWSA-N 0 0 391.225 2.743 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000413950655 563711886 /nfs/dbraw/zinc/71/18/86/563711886.db2.gz HIZWRMZQAFCZAF-MNOVXSKESA-N 0 0 384.479 2.874 20 5 GFBDRN Cc1nn(C[C@H](O)COc2cc(F)cc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000438833859 563712091 /nfs/dbraw/zinc/71/20/91/563712091.db2.gz HEXRQDVQJGRQSD-LBPRGKRZSA-N 0 0 388.193 2.750 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000438963280 563714493 /nfs/dbraw/zinc/71/44/93/563714493.db2.gz NNVODHLBZQOBGI-OLZOCXBDSA-N 0 0 388.873 2.994 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439110011 563717766 /nfs/dbraw/zinc/71/77/66/563717766.db2.gz HKXZWYAUMGSRKM-ZWNOBZJWSA-N 0 0 385.873 2.986 20 5 GFBDRN Cc1nnc(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000414451886 563738777 /nfs/dbraw/zinc/73/87/77/563738777.db2.gz LDANXTUGQMNXEF-UHFFFAOYSA-N 0 0 382.345 2.599 20 5 GFBDRN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291864994 563762218 /nfs/dbraw/zinc/76/22/18/563762218.db2.gz FLKCVZGMIQFXFQ-MEDUHNTESA-N 0 0 382.463 2.778 20 5 GFBDRN CCOC(=O)N1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291962732 563767020 /nfs/dbraw/zinc/76/70/20/563767020.db2.gz DLKFVJSNMIKJRH-VIFPVBQESA-N 0 0 376.196 2.862 20 5 GFBDRN Cc1cc(N2CC[C@H](CS(C)(=O)=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000291978953 563767736 /nfs/dbraw/zinc/76/77/36/563767736.db2.gz WWEIRCAETITLKL-JTQLQIEISA-N 0 0 377.260 2.537 20 5 GFBDRN CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000292071105 563772533 /nfs/dbraw/zinc/77/25/33/563772533.db2.gz IKALKTMLCLSXTQ-SNVBAGLBSA-N 0 0 393.259 2.545 20 5 GFBDRN CCc1nc(Cn2nc(I)c3ccc([N+](=O)[O-])cc32)no1 ZINC000292307436 563782197 /nfs/dbraw/zinc/78/21/97/563782197.db2.gz AQXPSKSZPKLNDX-UHFFFAOYSA-N 0 0 399.148 2.543 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000365414435 563782284 /nfs/dbraw/zinc/78/22/84/563782284.db2.gz IEKPCMVNUBCHOP-MLGOLLRUSA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1ccn(C2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000365557303 563786669 /nfs/dbraw/zinc/78/66/69/563786669.db2.gz OAOWXMBVRDSGSM-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000293031097 563799121 /nfs/dbraw/zinc/79/91/21/563799121.db2.gz RNFVWUBKLWFXGQ-PWSUYJOCSA-N 0 0 377.344 2.684 20 5 GFBDRN CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410890 563824566 /nfs/dbraw/zinc/82/45/66/563824566.db2.gz YGMXXOMYKUPZQC-CMPLNLGQSA-N 0 0 382.360 2.850 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000293809277 563824582 /nfs/dbraw/zinc/82/45/82/563824582.db2.gz DKQBQBRLADQKQW-CYBMUJFWSA-N 0 0 393.241 2.645 20 5 GFBDRN Cc1nn(CCC(=O)N[C@@H](c2nccs2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000293891481 563827706 /nfs/dbraw/zinc/82/77/06/563827706.db2.gz JKQNAYVVADVACG-NSHDSACASA-N 0 0 377.348 2.675 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000366999554 563827803 /nfs/dbraw/zinc/82/78/03/563827803.db2.gz WWDQLDOGNDPPAI-UXIGCNINSA-N 0 0 388.873 2.952 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@@H]1CCCCO1 ZINC000416454143 563830571 /nfs/dbraw/zinc/83/05/71/563830571.db2.gz HRKZXYOITCYUTR-NSHDSACASA-N 0 0 382.360 2.851 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(O)(c3scnc3Br)CC2)s1 ZINC000367152839 563833799 /nfs/dbraw/zinc/83/37/99/563833799.db2.gz JCEBBNBTRRZTHP-UHFFFAOYSA-N 0 0 391.272 2.758 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000416472722 563834301 /nfs/dbraw/zinc/83/43/01/563834301.db2.gz NUZBKCSEXWTTLZ-KXUCPTDWSA-N 0 0 382.360 2.800 20 5 GFBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416477461 563835223 /nfs/dbraw/zinc/83/52/23/563835223.db2.gz TWESJCKLJAMUKA-CQSZACIVSA-N 0 0 388.511 2.744 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000416534062 563844591 /nfs/dbraw/zinc/84/45/91/563844591.db2.gz XZCJIUPOIRHWOQ-MWLCHTKSSA-N 0 0 382.360 2.802 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000416534060 563844684 /nfs/dbraw/zinc/84/46/84/563844684.db2.gz XZCJIUPOIRHWOQ-GXSJLCMTSA-N 0 0 382.360 2.802 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000416563480 563849287 /nfs/dbraw/zinc/84/92/87/563849287.db2.gz RMRNZXDIVXULEF-QRTLGDNMSA-N 0 0 375.244 2.824 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csnn1 ZINC000416635341 563856134 /nfs/dbraw/zinc/85/61/34/563856134.db2.gz PHXWNVFAUZXZPJ-LURJTMIESA-N 0 0 382.345 2.505 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(C)C ZINC000416639461 563856596 /nfs/dbraw/zinc/85/65/96/563856596.db2.gz ASUYHIKCKMJIKW-LLVKDONJSA-N 0 0 384.376 2.953 20 5 GFBDRN Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])c(C)c(Br)c2=O)nc1 ZINC000446065023 563857932 /nfs/dbraw/zinc/85/79/32/563857932.db2.gz YKRKYUYXPPBNAS-UHFFFAOYSA-N 0 0 395.213 2.560 20 5 GFBDRN C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000368509796 563873005 /nfs/dbraw/zinc/87/30/05/563873005.db2.gz BTWILTFWFXHBID-UHFFFAOYSA-N 0 0 391.852 2.636 20 5 GFBDRN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000368705989 563877827 /nfs/dbraw/zinc/87/78/27/563877827.db2.gz GXNRCGBWUGLHOV-ZDUSSCGKSA-N 0 0 392.213 2.755 20 5 GFBDRN O=C1[C@H](Nc2ncccc2[N+](=O)[O-])CCN1c1cccc(Br)c1 ZINC000447675914 563883968 /nfs/dbraw/zinc/88/39/68/563883968.db2.gz ANWJQUHYROKFHH-GFCCVEGCSA-N 0 0 377.198 2.970 20 5 GFBDRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369000492 563884009 /nfs/dbraw/zinc/88/40/09/563884009.db2.gz INOAZEONRFWSKE-GFCCVEGCSA-N 0 0 384.845 2.779 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)c1 ZINC000369012925 563884100 /nfs/dbraw/zinc/88/41/00/563884100.db2.gz ZUJBPNVVQCOXEY-SECBINFHSA-N 0 0 397.189 2.699 20 5 GFBDRN O=[N+]([O-])c1cnn([C@H]2CCCN(c3c(Br)cncc3[N+](=O)[O-])C2)c1 ZINC000369012926 563884208 /nfs/dbraw/zinc/88/42/08/563884208.db2.gz ZUJBPNVVQCOXEY-VIFPVBQESA-N 0 0 397.189 2.699 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000538004499 564179533 /nfs/dbraw/zinc/17/95/33/564179533.db2.gz PHMARWJSBCZYML-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000538041568 564180631 /nfs/dbraw/zinc/18/06/31/564180631.db2.gz NNRQNWBLMKRPDJ-XPTSAGLGSA-N 0 0 397.229 2.597 20 5 GFBDRN Cn1c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])nc2cccnc21 ZINC000505349300 564181174 /nfs/dbraw/zinc/18/11/74/564181174.db2.gz CLGVESHLQUZTOG-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(=O)n(C)c1 ZINC000563300950 564185321 /nfs/dbraw/zinc/18/53/21/564185321.db2.gz QFASZXRVQYVUHI-UHFFFAOYSA-N 0 0 380.198 2.925 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccsc1 ZINC000505601002 564186302 /nfs/dbraw/zinc/18/63/02/564186302.db2.gz BEXUBWWSEQSALV-CQSZACIVSA-N 0 0 382.463 2.858 20 5 GFBDRN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nn(C)cc1Br ZINC000449486134 564189030 /nfs/dbraw/zinc/18/90/30/564189030.db2.gz STOZKXXKTZNHFT-JTQLQIEISA-N 0 0 396.245 2.598 20 5 GFBDRN C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000538943733 564206555 /nfs/dbraw/zinc/20/65/55/564206555.db2.gz RSHPLEXJRMQQFL-PELKAZGASA-N 0 0 383.253 2.683 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC2(C(F)F)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000506713575 564210156 /nfs/dbraw/zinc/21/01/56/564210156.db2.gz YFANGPRFTFDFRM-UHFFFAOYSA-N 0 0 392.156 2.518 20 5 GFBDRN COc1ccc(CNC(=O)Nc2ccncc2Br)cc1[N+](=O)[O-] ZINC000507160436 564220196 /nfs/dbraw/zinc/22/01/96/564220196.db2.gz NIKFHFDUNGVGGT-UHFFFAOYSA-N 0 0 381.186 2.505 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC(F)(F)C1 ZINC000539578637 564223690 /nfs/dbraw/zinc/22/36/90/564223690.db2.gz SLLGMWCUSUXOOZ-UHFFFAOYSA-N 0 0 382.104 2.681 20 5 GFBDRN NC(=O)c1ccnc(N2CC[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000450768778 564246791 /nfs/dbraw/zinc/24/67/91/564246791.db2.gz XAVNDDQZOUVCPG-NSHDSACASA-N 0 0 391.225 2.845 20 5 GFBDRN CCc1ncc(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000564752586 564247407 /nfs/dbraw/zinc/24/74/07/564247407.db2.gz QDLAPMLCMVDFPV-UHFFFAOYSA-N 0 0 380.451 2.616 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCOC[C@H]2c2ccc(F)cc2)s1 ZINC000450839620 564250344 /nfs/dbraw/zinc/25/03/44/564250344.db2.gz UDSSCTQJWCNIQV-ZDUSSCGKSA-N 0 0 386.426 2.777 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CC[C@H](CCCO)C1 ZINC000450959382 564256744 /nfs/dbraw/zinc/25/67/44/564256744.db2.gz YBVOXGUXIAMFDD-JTQLQIEISA-N 0 0 376.194 2.798 20 5 GFBDRN NC(=O)C[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000474156195 564267722 /nfs/dbraw/zinc/26/77/22/564267722.db2.gz FUPJCJDHBQGHAE-SNVBAGLBSA-N 0 0 393.241 2.997 20 5 GFBDRN Cc1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000474345294 564275283 /nfs/dbraw/zinc/27/52/83/564275283.db2.gz ADTYDYXLRBDQEX-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000508936111 564276522 /nfs/dbraw/zinc/27/65/22/564276522.db2.gz VLYAFLRTLMHALJ-UHFFFAOYSA-N 0 0 386.495 2.652 20 5 GFBDRN CSc1ccccc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541655745 564286305 /nfs/dbraw/zinc/28/63/05/564286305.db2.gz PVYDLSKTSNIUHA-UHFFFAOYSA-N 0 0 380.447 2.520 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000475080862 564299114 /nfs/dbraw/zinc/29/91/14/564299114.db2.gz WJEMCRGCAKWMKA-SNVBAGLBSA-N 0 0 384.223 2.644 20 5 GFBDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862393 564299890 /nfs/dbraw/zinc/29/98/90/564299890.db2.gz XFXFYGANGWQKON-UWVGGRQHSA-N 0 0 379.385 2.831 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465782 564300643 /nfs/dbraw/zinc/30/06/43/564300643.db2.gz TZVBJDZLNBTHKD-WCQYABFASA-N 0 0 395.257 2.534 20 5 GFBDRN CN(C)c1nccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000542199161 564304297 /nfs/dbraw/zinc/30/42/97/564304297.db2.gz HNCQJFHQVFRTSO-UHFFFAOYSA-N 0 0 381.845 2.513 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1Cl ZINC000542278864 564308383 /nfs/dbraw/zinc/30/83/83/564308383.db2.gz TVJQHKDIBQQBOR-CYBMUJFWSA-N 0 0 386.191 2.884 20 5 GFBDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000475643122 564314537 /nfs/dbraw/zinc/31/45/37/564314537.db2.gz ISHCWPMDVNAWJV-JSGCOSHPSA-N 0 0 386.495 2.745 20 5 GFBDRN Cc1c(Br)c(NCc2cn(C)nc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000542506249 564316478 /nfs/dbraw/zinc/31/64/78/564316478.db2.gz AYVCVKCJMGVOST-UHFFFAOYSA-N 0 0 394.151 2.847 20 5 GFBDRN Cc1c(Br)c(NCCOc2ccc3c(c2)OCO3)ncc1[N+](=O)[O-] ZINC000542522030 564317294 /nfs/dbraw/zinc/31/72/94/564317294.db2.gz OKBWLXFKIDIUSI-UHFFFAOYSA-N 0 0 396.197 2.702 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1SCCc2ccccc21 ZINC000542970646 564334585 /nfs/dbraw/zinc/33/45/85/564334585.db2.gz QQMFMOPRXJKIGI-OAHLLOKOSA-N 0 0 379.463 2.685 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451655955 564335942 /nfs/dbraw/zinc/33/59/42/564335942.db2.gz RNOWVQJXPQQVAY-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000476353832 564337130 /nfs/dbraw/zinc/33/71/30/564337130.db2.gz LJTZBRVAPBSCGB-CYBMUJFWSA-N 0 0 385.207 2.849 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000543118592 564338550 /nfs/dbraw/zinc/33/85/50/564338550.db2.gz ZQWWKGLXIAMSKA-ZFWWWQNUSA-N 0 0 386.495 2.501 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000543145345 564339071 /nfs/dbraw/zinc/33/90/71/564339071.db2.gz CFCLZAGDZLLNMV-KOLCDFICSA-N 0 0 386.246 2.522 20 5 GFBDRN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000566760383 564342294 /nfs/dbraw/zinc/34/22/94/564342294.db2.gz LPJMCZKRUKAJRT-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451741104 564346979 /nfs/dbraw/zinc/34/69/79/564346979.db2.gz ACVNFAVQWPQZAT-HNNXBMFYSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451746658 564347804 /nfs/dbraw/zinc/34/78/04/564347804.db2.gz QWMWGTIUUGNAOI-OAHLLOKOSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c(Br)c(NCc2n[nH]cc2Br)ncc1[N+](=O)[O-] ZINC000543435323 564350229 /nfs/dbraw/zinc/35/02/29/564350229.db2.gz RYMWHVSULNMCRY-UHFFFAOYSA-N 0 0 391.023 2.580 20 5 GFBDRN COCCOc1c(Cl)cc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1Cl ZINC000476670857 564350317 /nfs/dbraw/zinc/35/03/17/564350317.db2.gz OFEHBKBIFNWRJE-UHFFFAOYSA-N 0 0 389.195 2.913 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncccc1Br ZINC000477103421 564364599 /nfs/dbraw/zinc/36/45/99/564364599.db2.gz UJAYRCSXLNFYOS-UHFFFAOYSA-N 0 0 376.170 2.559 20 5 GFBDRN NC(=O)c1ccnc(N[C@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] ZINC000567291586 564365053 /nfs/dbraw/zinc/36/50/53/564365053.db2.gz JEHXWPLMZRVQMT-JTQLQIEISA-N 0 0 397.160 2.536 20 5 GFBDRN C[C@@H]1N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1(C)C ZINC000477196627 564368955 /nfs/dbraw/zinc/36/89/55/564368955.db2.gz YOWYNLIMQZUDPM-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@@H]1N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1(C)C ZINC000477210511 564368988 /nfs/dbraw/zinc/36/89/88/564368988.db2.gz XJHZOAMWURLMPD-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000477297247 564372235 /nfs/dbraw/zinc/37/22/35/564372235.db2.gz ZWOOYSRKVSHWTD-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN Cc1c(Br)c(N2CC(=O)N(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000544394962 564384980 /nfs/dbraw/zinc/38/49/80/564384980.db2.gz AGOHODUSCUQKJN-UHFFFAOYSA-N 0 0 391.225 2.867 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](C(=O)NCC3CC3)C2)ncc1[N+](=O)[O-] ZINC000544410299 564386049 /nfs/dbraw/zinc/38/60/49/564386049.db2.gz DYDYJEFVQLHMBB-LBPRGKRZSA-N 0 0 397.273 2.803 20 5 GFBDRN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452062477 564387870 /nfs/dbraw/zinc/38/78/70/564387870.db2.gz SMPBYBCFOCNGHW-CHWSQXEVSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CO)c1cccc(Cl)c1F ZINC000544596127 564389604 /nfs/dbraw/zinc/38/96/04/564389604.db2.gz NPPQCMGTQXTYTR-LBPRGKRZSA-N 0 0 388.804 2.708 20 5 GFBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000512344344 564398742 /nfs/dbraw/zinc/39/87/42/564398742.db2.gz WPGSCHIFXKJRDK-UHFFFAOYSA-N 0 0 393.201 2.713 20 5 GFBDRN COc1cc(Cc2noc(Cn3cc(Br)cn3)n2)ccc1[N+](=O)[O-] ZINC000545076600 564408272 /nfs/dbraw/zinc/40/82/72/564408272.db2.gz JYGBISDXVHVFNP-UHFFFAOYSA-N 0 0 394.185 2.585 20 5 GFBDRN CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC(O)C1 ZINC000545444154 564423514 /nfs/dbraw/zinc/42/35/14/564423514.db2.gz FSNRKDCMGRWEKI-UHFFFAOYSA-N 0 0 385.207 2.683 20 5 GFBDRN O=c1ccc(Br)cn1CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000545523433 564427573 /nfs/dbraw/zinc/42/75/73/564427573.db2.gz LSURJDDDCWLNSV-UHFFFAOYSA-N 0 0 391.181 2.812 20 5 GFBDRN CNS(=O)(=O)c1cccc2c1CCN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000568665051 564428659 /nfs/dbraw/zinc/42/86/59/564428659.db2.gz CGIMPHOPUITPFQ-UHFFFAOYSA-N 0 0 381.841 2.719 20 5 GFBDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000479168259 564429460 /nfs/dbraw/zinc/42/94/60/564429460.db2.gz VLXXYEBGHKCAHQ-UHFFFAOYSA-N 0 0 383.813 2.685 20 5 GFBDRN COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545755988 564431651 /nfs/dbraw/zinc/43/16/51/564431651.db2.gz HPMSNWUYXSQGDW-UHFFFAOYSA-N 0 0 380.158 2.730 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452836498 564434336 /nfs/dbraw/zinc/43/43/36/564434336.db2.gz AKACJOUVMZRJRE-LBPRGKRZSA-N 0 0 379.214 2.570 20 5 GFBDRN C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513766518 564438420 /nfs/dbraw/zinc/43/84/20/564438420.db2.gz VYSQDPWPATZCLN-SECBINFHSA-N 0 0 382.360 2.849 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000479585374 564444295 /nfs/dbraw/zinc/44/42/95/564444295.db2.gz AZARPFYOLCOOPW-YGRLFVJLSA-N 0 0 399.241 2.700 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000569045761 564446345 /nfs/dbraw/zinc/44/63/45/564446345.db2.gz CXNMENAXBDHICJ-NOZJJQNGSA-N 0 0 393.259 2.512 20 5 GFBDRN Cn1cc(Br)c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312648 564453239 /nfs/dbraw/zinc/45/32/39/564453239.db2.gz VPVBEIMWSBMIKV-AAEUAGOBSA-N 0 0 383.250 2.561 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000546790907 564469139 /nfs/dbraw/zinc/46/91/39/564469139.db2.gz QHAUGUXDVFVSAR-DGCLKSJQSA-N 0 0 377.198 2.620 20 5 GFBDRN Cc1cc(Cc2noc(Cn3cc(Br)cn3)n2)ccc1[N+](=O)[O-] ZINC000547264176 564481484 /nfs/dbraw/zinc/48/14/84/564481484.db2.gz WKYRIHNVAGDXPF-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN CC(C)OC(=O)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480746420 564485666 /nfs/dbraw/zinc/48/56/66/564485666.db2.gz BJGZYGKQGQLRSN-SNVBAGLBSA-N 0 0 378.834 2.647 20 5 GFBDRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc([N+](=O)[O-])cc1 ZINC000515928186 564490223 /nfs/dbraw/zinc/49/02/23/564490223.db2.gz AQDNBXDSRQZOIU-UHFFFAOYSA-N 0 0 382.203 2.948 20 5 GFBDRN CNc1nccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000516085720 564493416 /nfs/dbraw/zinc/49/34/16/564493416.db2.gz RQRXIHIHYHZREE-QWHCGFSZSA-N 0 0 391.225 2.502 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000454138854 564500414 /nfs/dbraw/zinc/50/04/14/564500414.db2.gz NFWFRXJJSFDVGS-AWEZNQCLSA-N 0 0 396.241 2.991 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000454397686 564509215 /nfs/dbraw/zinc/50/92/15/564509215.db2.gz WFESUORQYMTDDN-UHFFFAOYSA-N 0 0 381.435 2.586 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1 ZINC000481788836 564524541 /nfs/dbraw/zinc/52/45/41/564524541.db2.gz YPNMYDFYNDIQKQ-UHFFFAOYSA-N 0 0 381.179 2.699 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccncc2Br)CC1 ZINC000548153847 564533330 /nfs/dbraw/zinc/53/33/30/564533330.db2.gz WASKDCAHJDCCJI-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@@H](F)C1 ZINC000518204889 564547921 /nfs/dbraw/zinc/54/79/21/564547921.db2.gz ACUCGUFXNHVDAQ-MRVPVSSYSA-N 0 0 378.141 2.774 20 5 GFBDRN CN(C(=O)c1cn2ccc(Br)cc2n1)c1ccc([N+](=O)[O-])nc1 ZINC000571693099 564562404 /nfs/dbraw/zinc/56/24/04/564562404.db2.gz VPHFCFCCDAOHTL-UHFFFAOYSA-N 0 0 376.170 2.677 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000548741988 564572160 /nfs/dbraw/zinc/57/21/60/564572160.db2.gz RTJZBJRFVWAVSC-GFCCVEGCSA-N 0 0 389.170 2.978 20 5 GFBDRN Nc1ncc(Br)cc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483948371 564579133 /nfs/dbraw/zinc/57/91/33/564579133.db2.gz XDTLZENAUUZHJE-UHFFFAOYSA-N 0 0 384.165 2.626 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549027715 564584776 /nfs/dbraw/zinc/58/47/76/564584776.db2.gz KTDCGIOLNWPBKP-LLVKDONJSA-N 0 0 379.360 2.733 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000519692061 564587144 /nfs/dbraw/zinc/58/71/44/564587144.db2.gz ISYPQEWYTAHESQ-HNNXBMFYSA-N 0 0 386.426 2.562 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000484777717 564598176 /nfs/dbraw/zinc/59/81/76/564598176.db2.gz APGHDBMUEIOGFP-SECBINFHSA-N 0 0 395.300 2.840 20 5 GFBDRN O=C1[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000485181313 564608797 /nfs/dbraw/zinc/60/87/97/564608797.db2.gz MDOKTCUHQNBTBK-AWEZNQCLSA-N 0 0 391.225 2.965 20 5 GFBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485753579 564625487 /nfs/dbraw/zinc/62/54/87/564625487.db2.gz VQNOLOGRLULFTO-SSDOTTSWSA-N 0 0 392.275 2.794 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1noc(C2CC2)n1 ZINC000550701675 564629539 /nfs/dbraw/zinc/62/95/39/564629539.db2.gz YPYVAIWIVUOSHG-UHFFFAOYSA-N 0 0 381.186 2.856 20 5 GFBDRN CCOC(=O)c1nnc(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)s1 ZINC000486012653 564635386 /nfs/dbraw/zinc/63/53/86/564635386.db2.gz BSNVPOAEKINQNZ-UHFFFAOYSA-N 0 0 380.407 2.659 20 5 GFBDRN CCOC(=O)c1nnc(Sc2ncc([N+](=O)[O-])cc2Br)s1 ZINC000486018375 564636327 /nfs/dbraw/zinc/63/63/27/564636327.db2.gz RGGFDPGRVQKTAD-UHFFFAOYSA-N 0 0 391.228 2.932 20 5 GFBDRN CCOC(=O)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000486148749 564641266 /nfs/dbraw/zinc/64/12/66/564641266.db2.gz KQHYPNWVIORJCM-UHFFFAOYSA-N 0 0 391.243 2.977 20 5 GFBDRN CSc1cccc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1[N+](=O)[O-] ZINC000486246285 564645423 /nfs/dbraw/zinc/64/54/23/564645423.db2.gz UTTBUSBVTDXMTA-LLVKDONJSA-N 0 0 383.495 2.747 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000522161275 564646154 /nfs/dbraw/zinc/64/61/54/564646154.db2.gz QBCZXNLWNPYBJI-BXUZGUMPSA-N 0 0 383.495 2.503 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC(F)(F)F)CC1 ZINC000551484656 564651358 /nfs/dbraw/zinc/65/13/58/564651358.db2.gz SGIJIHCECRJHQI-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN COC(=O)c1cnc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000522570648 564652952 /nfs/dbraw/zinc/65/29/52/564652952.db2.gz CLAKRYNUQRBLOF-UHFFFAOYSA-N 0 0 385.785 2.899 20 5 GFBDRN Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)cc1Cl ZINC000522853989 564657739 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COCCN(Cc1scnc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000487395508 564686308 /nfs/dbraw/zinc/68/63/08/564686308.db2.gz KYSXVMMYWYGUEE-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCc2c1cccc2Br ZINC000525175279 564694015 /nfs/dbraw/zinc/69/40/15/564694015.db2.gz VCZAITBCACGSHW-GFCCVEGCSA-N 0 0 398.238 2.718 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N(CCO)Cc1cccc(Br)c1 ZINC000575477258 564699509 /nfs/dbraw/zinc/69/95/09/564699509.db2.gz XVTOETZVOXNKPK-UHFFFAOYSA-N 0 0 383.246 2.881 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N=c1cc2ccccn2[nH]1 ZINC000553330967 564716591 /nfs/dbraw/zinc/71/65/91/564716591.db2.gz OCTLEABGIUGEGV-UHFFFAOYSA-N 0 0 375.182 2.608 20 5 GFBDRN CNc1nccc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000553329155 564716696 /nfs/dbraw/zinc/71/66/96/564716696.db2.gz XUUDBAZKVRMJFC-JTQLQIEISA-N 0 0 393.241 2.577 20 5 GFBDRN COC(=O)[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])[C@@H]1C ZINC000526052888 564718295 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000490519962 564775013 /nfs/dbraw/zinc/77/50/13/564775013.db2.gz KMBYTIDKXMZXGB-BZNIZROVSA-N 0 0 382.463 2.946 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000490721763 564781423 /nfs/dbraw/zinc/78/14/23/564781423.db2.gz KLDIZEQPSZNSFE-CQSZACIVSA-N 0 0 394.229 2.606 20 5 GFBDRN NC(=O)c1ccnc(NCc2cc(F)c(F)cc2Br)c1[N+](=O)[O-] ZINC000555143129 564784636 /nfs/dbraw/zinc/78/46/36/564784636.db2.gz WKWAHLJBUWWFCU-UHFFFAOYSA-N 0 0 387.140 2.742 20 5 GFBDRN Cc1nn(C)c(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000581095674 564787656 /nfs/dbraw/zinc/78/76/56/564787656.db2.gz YMUXFYWMSWRWDC-LBPRGKRZSA-N 0 0 394.229 2.772 20 5 GFBDRN C[C@H](CO)CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000462113074 564820686 /nfs/dbraw/zinc/82/06/86/564820686.db2.gz UZBXXBIUVAUKMG-CYBMUJFWSA-N 0 0 388.511 2.880 20 5 GFBDRN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462464749 564841902 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2.943 20 5 GFBDRN COC(=O)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000531333896 564907501 /nfs/dbraw/zinc/90/75/01/564907501.db2.gz ZBSGYFNKUJFGKG-UHFFFAOYSA-N 0 0 390.845 2.793 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CN(C)CCN2C)no1 ZINC000583864031 564911079 /nfs/dbraw/zinc/91/10/79/564911079.db2.gz QTBYNQNGDSWOTQ-CYBMUJFWSA-N 0 0 396.245 2.634 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000499640386 564932853 /nfs/dbraw/zinc/93/28/53/564932853.db2.gz GRFZVLUUWDJBPJ-VIFPVBQESA-N 0 0 382.360 2.846 20 5 GFBDRN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000532298173 564934197 /nfs/dbraw/zinc/93/41/97/564934197.db2.gz WJDQOVVPSCGUPU-CYBMUJFWSA-N 0 0 390.845 2.648 20 5 GFBDRN Cc1nn(C)c(C)c1CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559517434 564934335 /nfs/dbraw/zinc/93/43/35/564934335.db2.gz JHKZCGLVJHHXHA-UHFFFAOYSA-N 0 0 395.257 2.989 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)c(Br)cc1Cl ZINC000466450084 564941023 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5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000501070918 564969278 /nfs/dbraw/zinc/96/92/78/564969278.db2.gz FQCMXYLEMARZTA-LLVKDONJSA-N 0 0 398.135 2.888 20 5 GFBDRN Cn1cc(CCCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000501084888 564970071 /nfs/dbraw/zinc/97/00/71/564970071.db2.gz PZIMXAFDZIYYIY-UHFFFAOYSA-N 0 0 382.218 2.845 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCN(CC(F)F)CC1 ZINC000501112443 564970742 /nfs/dbraw/zinc/97/07/42/564970742.db2.gz POJXFQSCABVHRK-UHFFFAOYSA-N 0 0 393.188 2.772 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000501103711 564970781 /nfs/dbraw/zinc/97/07/81/564970781.db2.gz CQPPDNUVDTWKMU-UHFFFAOYSA-N 0 0 394.172 2.981 20 5 GFBDRN CCOC(=O)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000533884544 564975121 /nfs/dbraw/zinc/97/51/21/564975121.db2.gz JHYCUSAFCNUTMJ-UHFFFAOYSA-N 0 0 390.483 2.838 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000534244778 564983905 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387.230 2.590 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC(F)(F)F ZINC000503057215 565010817 /nfs/dbraw/zinc/01/08/17/565010817.db2.gz SJIBIXYLMHWBRF-UHFFFAOYSA-N 0 0 379.360 2.505 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000535353551 565011401 /nfs/dbraw/zinc/01/14/01/565011401.db2.gz FYCSFEZQBLBBTB-JTQLQIEISA-N 0 0 396.368 2.687 20 5 GFBDRN COC(C)(C)CN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535742166 565019815 /nfs/dbraw/zinc/01/98/15/565019815.db2.gz DVRPUZWFKVKLGL-UHFFFAOYSA-N 0 0 392.193 2.696 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503766541 565027914 /nfs/dbraw/zinc/02/79/14/565027914.db2.gz SZCJKGORNRISMC-NXEZZACHSA-N 0 0 382.360 2.707 20 5 GFBDRN C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000536135107 565030727 /nfs/dbraw/zinc/03/07/27/565030727.db2.gz FYHVNOUBNCOFJW-BDAKNGLRSA-N 0 0 382.269 2.615 20 5 GFBDRN CO[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000469935229 565032507 /nfs/dbraw/zinc/03/25/07/565032507.db2.gz LMZPJPGBHNACGR-NSHDSACASA-N 0 0 399.163 2.983 20 5 GFBDRN COc1ccc(I)c(NCc2c([N+](=O)[O-])ncn2C)c1 ZINC000470554160 565049438 /nfs/dbraw/zinc/04/94/38/565049438.db2.gz VZLYUPGXSSSXSE-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN CC(C)(C(=O)N1Cc2cccc(Br)c2C1)n1cc([N+](=O)[O-])cn1 ZINC000613689775 565077788 /nfs/dbraw/zinc/07/77/88/565077788.db2.gz YWBLOWUOEBVPNE-UHFFFAOYSA-N 0 0 379.214 2.831 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000586777395 565115768 /nfs/dbraw/zinc/11/57/68/565115768.db2.gz NLEBRXBMVSDUPS-UFBFGSQYSA-N 0 0 381.738 2.838 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000586772654 565116233 /nfs/dbraw/zinc/11/62/33/565116233.db2.gz UIAALWJFBPXHGK-CPCISQLKSA-N 0 0 388.751 2.589 20 5 GFBDRN Nc1cc(N2CCc3ccc(Br)cc3C2)cc(CO)c1[N+](=O)[O-] ZINC000588048056 565123228 /nfs/dbraw/zinc/12/32/28/565123228.db2.gz OMXMDKKMRVDPHB-UHFFFAOYSA-N 0 0 378.226 2.995 20 5 GFBDRN CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000614858375 565136888 /nfs/dbraw/zinc/13/68/88/565136888.db2.gz YDJUNYOOPOJVBK-CYBMUJFWSA-N 0 0 382.360 2.635 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000589514154 565164832 /nfs/dbraw/zinc/16/48/32/565164832.db2.gz DXUNWZVJWVBEQI-LLVKDONJSA-N 0 0 388.205 2.668 20 5 GFBDRN NC(=O)c1ccc(NCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000589494276 565165146 /nfs/dbraw/zinc/16/51/46/565165146.db2.gz HGCHFASLZHNJPL-UHFFFAOYSA-N 0 0 397.172 2.910 20 5 GFBDRN O=C(NCCc1c[nH]c2cccc(Br)c12)c1[nH]ncc1[N+](=O)[O-] ZINC000589537764 565165484 /nfs/dbraw/zinc/16/54/84/565165484.db2.gz CJSFEQSQSNIVKZ-UHFFFAOYSA-N 0 0 378.186 2.534 20 5 GFBDRN NC(=O)c1ccnc(N2CCc3cc(Br)cc(F)c3C2)c1[N+](=O)[O-] ZINC000589588990 565168043 /nfs/dbraw/zinc/16/80/43/565168043.db2.gz RSFRQJYYZPBBNU-UHFFFAOYSA-N 0 0 395.188 2.553 20 5 GFBDRN Cc1cc(NCCCN2CCCS2(=O)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134315 565179014 /nfs/dbraw/zinc/17/90/14/565179014.db2.gz HMKDNMXKVQVGOB-UHFFFAOYSA-N 0 0 381.376 2.760 20 5 GFBDRN COC(=O)[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592076205 565253066 /nfs/dbraw/zinc/25/30/66/565253066.db2.gz WUMZNLBFANCLLF-LLVKDONJSA-N 0 0 378.834 2.504 20 5 GFBDRN C[C@H]1SCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113619 565257896 /nfs/dbraw/zinc/25/78/96/565257896.db2.gz OBAYABUEMGDVBG-XCBNKYQSSA-N 0 0 381.273 2.530 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000593354766 565327999 /nfs/dbraw/zinc/32/79/99/565327999.db2.gz CESZGJGSVMEQOS-ZIAGYGMSSA-N 0 0 399.241 2.684 20 5 GFBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593424635 565330397 /nfs/dbraw/zinc/33/03/97/565330397.db2.gz OTBUZNLEEOGUDB-UHFFFAOYSA-N 0 0 383.813 2.663 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1ccc(SC)cc1 ZINC000619549386 565348551 /nfs/dbraw/zinc/34/85/51/565348551.db2.gz QDASFCQXRSAIIY-UHFFFAOYSA-N 0 0 382.463 2.846 20 5 GFBDRN CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000594486327 565395958 /nfs/dbraw/zinc/39/59/58/565395958.db2.gz NVMQYINYGJJZPV-SNVBAGLBSA-N 0 0 378.472 2.549 20 5 GFBDRN O=C([O-])C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC1 ZINC000594540294 565397776 /nfs/dbraw/zinc/39/77/76/565397776.db2.gz WVMZPJSWPLWOHE-UHFFFAOYSA-N 0 0 390.177 2.639 20 5 GFBDRN CSC[C@@H]1CCCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594776288 565418716 /nfs/dbraw/zinc/41/87/16/565418716.db2.gz YKMRXQKTLZHHSM-GFCCVEGCSA-N 0 0 381.479 2.907 20 5 GFBDRN CCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594790994 565421233 /nfs/dbraw/zinc/42/12/33/565421233.db2.gz CAIMIFVWYYKWDT-JTQLQIEISA-N 0 0 392.861 2.989 20 5 GFBDRN C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594850173 565429444 /nfs/dbraw/zinc/42/94/44/565429444.db2.gz CGWIQGPWGAMOGP-SNVBAGLBSA-N 0 0 385.186 2.681 20 5 GFBDRN C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000594901213 565434541 /nfs/dbraw/zinc/43/45/41/565434541.db2.gz GVVAXCJBKRWUBN-DTWKUNHWSA-N 0 0 381.845 2.809 20 5 GFBDRN CC1(C)[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000595350671 565467122 /nfs/dbraw/zinc/46/71/22/565467122.db2.gz JCPNUAPHXIWAOU-JTQLQIEISA-N 0 0 399.213 2.927 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000595367205 565469259 /nfs/dbraw/zinc/46/92/59/565469259.db2.gz JTMUMEPOYQJVEV-BDAKNGLRSA-N 0 0 381.237 2.559 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000595367209 565469530 /nfs/dbraw/zinc/46/95/30/565469530.db2.gz JTMUMEPOYQJVEV-IUCAKERBSA-N 0 0 381.237 2.559 20 5 GFBDRN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H](C)C1=O ZINC000595712435 565488698 /nfs/dbraw/zinc/48/86/98/565488698.db2.gz HMASKHJIFZJCAX-NXEZZACHSA-N 0 0 388.205 2.856 20 5 GFBDRN Cc1noc(CS(=O)(=O)Cc2csc(Br)c2)c1[N+](=O)[O-] ZINC000596038109 565506998 /nfs/dbraw/zinc/50/69/98/565506998.db2.gz JXPUSWOYXWQFAU-UHFFFAOYSA-N 0 0 381.229 2.830 20 5 GFBDRN Cc1ccc(CSCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000596058804 565511759 /nfs/dbraw/zinc/51/17/59/565511759.db2.gz JNKWBQUOIKZOFC-UHFFFAOYSA-N 0 0 381.479 2.896 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000596119795 565513922 /nfs/dbraw/zinc/51/39/22/565513922.db2.gz CCIBHIZUFIENFN-LBPRGKRZSA-N 0 0 381.841 2.890 20 5 GFBDRN CS(=O)(=O)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000596472043 565525047 /nfs/dbraw/zinc/52/50/47/565525047.db2.gz AERVDEKYKJIQPX-UHFFFAOYSA-N 0 0 392.275 2.912 20 5 GFBDRN Nc1c(NC(=O)NCC2(O)CCC(F)(F)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093129 565551614 /nfs/dbraw/zinc/55/16/14/565551614.db2.gz WLTRDFXAZDPKCW-UHFFFAOYSA-N 0 0 378.763 2.892 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000597630095 565568169 /nfs/dbraw/zinc/56/81/69/565568169.db2.gz BYVXWWRSTYRWQJ-RDBSUJKOSA-N 0 0 396.241 2.991 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000597630093 565568889 /nfs/dbraw/zinc/56/88/89/565568889.db2.gz BYVXWWRSTYRWQJ-IHRRRGAJSA-N 0 0 396.241 2.991 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ncns2)CC1 ZINC000597723724 565573200 /nfs/dbraw/zinc/57/32/00/565573200.db2.gz ZPWAZNILYWJCGS-UHFFFAOYSA-N 0 0 399.885 2.541 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c1 ZINC000598203496 565601373 /nfs/dbraw/zinc/60/13/73/565601373.db2.gz DFWVCGJUTBJIDH-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)c(C)c1[N+](=O)[O-] ZINC000598606344 565628749 /nfs/dbraw/zinc/62/87/49/565628749.db2.gz DPICHNHIZPDEDP-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN O=[N+]([O-])c1c(NCc2ccc(Br)cc2)ncnc1N1CCOCC1 ZINC000598594598 565629213 /nfs/dbraw/zinc/62/92/13/565629213.db2.gz MTGCTVQIIBMGLR-UHFFFAOYSA-N 0 0 394.229 2.596 20 5 GFBDRN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598767787 565641321 /nfs/dbraw/zinc/64/13/21/565641321.db2.gz WUTLRSBRXQYKAH-AUWXTCHYSA-N 0 0 389.271 2.777 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000599108820 565656759 /nfs/dbraw/zinc/65/67/59/565656759.db2.gz WRXWRXSBGMNJFC-LBPRGKRZSA-N 0 0 396.245 2.935 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599122837 565657689 /nfs/dbraw/zinc/65/76/89/565657689.db2.gz HKWMLYKIHQNBAN-APHBMKBZSA-N 0 0 379.825 2.646 20 5 GFBDRN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000599162470 565658761 /nfs/dbraw/zinc/65/87/61/565658761.db2.gz HCAOGKVQQCKRQQ-CABZTGNLSA-N 0 0 388.218 2.523 20 5 GFBDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599225186 565662839 /nfs/dbraw/zinc/66/28/39/565662839.db2.gz FLYDSIIXXRNBSS-NSHDSACASA-N 0 0 398.257 2.736 20 5 GFBDRN CCO[C@@H](CS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599269062 565665787 /nfs/dbraw/zinc/66/57/87/565665787.db2.gz MMTWFXVXFMSIOI-JKSUJKDBSA-N 0 0 386.495 2.787 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000599371674 565672776 /nfs/dbraw/zinc/67/27/76/565672776.db2.gz DZLRIYMNDVBRCI-LLVKDONJSA-N 0 0 398.750 2.527 20 5 GFBDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599508203 565686470 /nfs/dbraw/zinc/68/64/70/565686470.db2.gz QBTKMIXMZQPNND-WDEREUQCSA-N 0 0 398.257 2.734 20 5 GFBDRN COC(=O)[C@](C)(NCc1cncc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000599643246 565695202 /nfs/dbraw/zinc/69/52/02/565695202.db2.gz LQCNMJUCLWUJRQ-MRXNPFEDSA-N 0 0 394.225 2.930 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000599706996 565697422 /nfs/dbraw/zinc/69/74/22/565697422.db2.gz CSKIYMKWWABOAP-ONGXEEELSA-N 0 0 397.147 2.885 20 5 GFBDRN COC(=O)[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000600076242 565713008 /nfs/dbraw/zinc/71/30/08/565713008.db2.gz LMIJMBJEDQCLJZ-JTQLQIEISA-N 0 0 385.214 2.676 20 5 GFBDRN CC(C)(CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000600495481 565732604 /nfs/dbraw/zinc/73/26/04/565732604.db2.gz AVSUIDZKCIGENX-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)N1CCCC1 ZINC000600490555 565732770 /nfs/dbraw/zinc/73/27/70/565732770.db2.gz LEULBCANVSCVJA-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000600537415 565736139 /nfs/dbraw/zinc/73/61/39/565736139.db2.gz QHJQOOVIMDTWCG-AWEZNQCLSA-N 0 0 379.463 2.854 20 5 GFBDRN CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000600804468 565750708 /nfs/dbraw/zinc/75/07/08/565750708.db2.gz JVRODPKQXDWGFM-ZDUSSCGKSA-N 0 0 398.257 2.797 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000600815513 565751817 /nfs/dbraw/zinc/75/18/17/565751817.db2.gz VOLOMCYTOYXAOO-LBPRGKRZSA-N 0 0 383.857 2.610 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])s1 ZINC000601393703 565780342 /nfs/dbraw/zinc/78/03/42/565780342.db2.gz GQCCJCUTUNVCCO-INIZCTEOSA-N 0 0 380.447 2.785 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CCC[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000155241099 551495251 /nfs/dbraw/zinc/49/52/51/551495251.db2.gz BDSCMXKBATUBPG-LBPRGKRZSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000155576195 551502875 /nfs/dbraw/zinc/50/28/75/551502875.db2.gz VZVRFEIAPAAWAW-JTQLQIEISA-N 0 0 379.722 2.531 20 5 GFBDRN CC(=O)OC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000157559659 551539435 /nfs/dbraw/zinc/53/94/35/551539435.db2.gz XZAIHQIJXBFQHE-UHFFFAOYSA-N 0 0 390.177 2.731 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(-n2cccn2)cc1 ZINC000158315349 551550209 /nfs/dbraw/zinc/55/02/09/551550209.db2.gz RBAQPNZWXWPJQS-UHFFFAOYSA-N 0 0 375.182 2.753 20 5 GFBDRN O=[N+]([O-])c1nn(Cc2cn(-c3ccc(Cl)cc3)nn2)cc1Br ZINC000158548376 551553239 /nfs/dbraw/zinc/55/32/39/551553239.db2.gz MBUNSZTZAQMGBE-UHFFFAOYSA-N 0 0 383.593 2.836 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000158808319 551557232 /nfs/dbraw/zinc/55/72/32/551557232.db2.gz 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O=C(NC[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1Br ZINC000168555934 551634670 /nfs/dbraw/zinc/63/46/70/551634670.db2.gz KFMHLXJCQHZABF-QMMMGPOBSA-N 0 0 377.285 2.936 20 5 GFBDRN CCc1n[nH]c(C(=O)NCCc2ccc(F)c(Br)c2)c1[N+](=O)[O-] ZINC000171400611 551654168 /nfs/dbraw/zinc/65/41/68/551654168.db2.gz RNXJLHOZLDKZQU-UHFFFAOYSA-N 0 0 385.193 2.754 20 5 GFBDRN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000171795164 551663823 /nfs/dbraw/zinc/66/38/23/551663823.db2.gz ADCCIGCHUXQTRO-GFCCVEGCSA-N 0 0 381.410 2.949 20 5 GFBDRN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000172582596 551682423 /nfs/dbraw/zinc/68/24/23/551682423.db2.gz TXPABMJTDYMGDI-NSHDSACASA-N 0 0 385.467 2.970 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cccn2)c1 ZINC000173826427 552093113 /nfs/dbraw/zinc/09/31/13/552093113.db2.gz TUZOUKMUABVFPF-NSHDSACASA-N 0 0 378.435 2.882 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000174032217 552097398 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O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175993699 552133592 /nfs/dbraw/zinc/13/35/92/552133592.db2.gz RLNBHNGJILZDKP-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](Cn2cncn2)C1 ZINC000177306991 552152988 /nfs/dbraw/zinc/15/29/88/552152988.db2.gz NXHCSLNHSBRVGG-NSHDSACASA-N 0 0 394.229 2.501 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](CCO)c1ccccc1 ZINC000177734093 552158346 /nfs/dbraw/zinc/15/83/46/552158346.db2.gz YACPHCGYDHNXLA-CYBMUJFWSA-N 0 0 384.841 2.693 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178772590 552174886 /nfs/dbraw/zinc/17/48/86/552174886.db2.gz DSCPYOOGIJYRKR-ZDUSSCGKSA-N 0 0 382.258 2.976 20 5 GFBDRN O=C(c1c[nH]c(=O)c(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179380425 552191560 /nfs/dbraw/zinc/19/15/60/552191560.db2.gz FXLBTBFBUMUFAT-UHFFFAOYSA-N 0 0 392.209 2.850 20 5 GFBDRN Nc1c(C(=O)NCCNc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000180352834 552223602 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CC(C)(C)N1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000183419179 552308664 /nfs/dbraw/zinc/30/86/64/552308664.db2.gz YWFZVVCFNYEEIA-NSHDSACASA-N 0 0 385.873 2.856 20 5 GFBDRN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ncccc1Br ZINC000183421955 552308690 /nfs/dbraw/zinc/30/86/90/552308690.db2.gz LBQCATZNFGJIAF-UHFFFAOYSA-N 0 0 380.154 2.758 20 5 GFBDRN NS(=O)(=O)c1cccc(NCCCSc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000183717155 552317582 /nfs/dbraw/zinc/31/75/82/552317582.db2.gz DJTMGQHPQVRRFZ-UHFFFAOYSA-N 0 0 385.442 2.976 20 5 GFBDRN Cc1cc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000184698472 552342918 /nfs/dbraw/zinc/34/29/18/552342918.db2.gz YQGBQUFXBRKGON-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN Cc1cnc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185327168 552360879 /nfs/dbraw/zinc/36/08/79/552360879.db2.gz YHVMSTXTFLJGGL-HNNXBMFYSA-N 0 0 381.479 2.874 20 5 GFBDRN CN(C[C@H](O)C(F)(F)F)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186102040 552379366 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CO[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC000189287844 552468140 /nfs/dbraw/zinc/46/81/40/552468140.db2.gz MVGHGVWXGQTKKQ-HZMBPMFUSA-N 0 0 386.246 2.653 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000190492063 552497914 /nfs/dbraw/zinc/49/79/14/552497914.db2.gz UNFHOAORFKIXSE-LLVKDONJSA-N 0 0 391.225 2.761 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CC2)n1 ZINC000191630418 552533467 /nfs/dbraw/zinc/53/34/67/552533467.db2.gz OHLZOXAYTAWHFL-UHFFFAOYSA-N 0 0 379.214 2.993 20 5 GFBDRN Cn1cc([C@@H]2CSCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000191995907 552544800 /nfs/dbraw/zinc/54/48/00/552544800.db2.gz YIOMYQYKZPRYLI-HNNXBMFYSA-N 0 0 380.857 2.841 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2ccc(Br)cn2)CC1 ZINC000192493457 552565852 /nfs/dbraw/zinc/56/58/52/552565852.db2.gz CNGCYDCTKKNAPH-UHFFFAOYSA-N 0 0 395.261 2.604 20 5 GFBDRN CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192714647 552971709 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O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)cc1 ZINC000284196604 563467127 /nfs/dbraw/zinc/46/71/27/563467127.db2.gz HJSAKTLSSKMDAN-UHFFFAOYSA-N 0 0 382.360 2.720 20 5 GFBDRN Cn1ccnc1N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000427981451 563479635 /nfs/dbraw/zinc/47/96/35/563479635.db2.gz FLOMWMLEJPHKJL-UHFFFAOYSA-N 0 0 381.234 2.567 20 5 GFBDRN Cc1ncsc1C(=O)NC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000377742343 563484976 /nfs/dbraw/zinc/48/49/76/563484976.db2.gz JZKGKCQLDCUADM-UHFFFAOYSA-N 0 0 381.845 2.807 20 5 GFBDRN CCOC(=O)C(C)(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284704381 563487057 /nfs/dbraw/zinc/48/70/57/563487057.db2.gz ZFANBDYCLSZMNO-UHFFFAOYSA-N 0 0 399.241 2.831 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428401943 563490988 /nfs/dbraw/zinc/49/09/88/563490988.db2.gz NTDWJGCWOCMATO-NSHDSACASA-N 0 0 382.825 2.708 20 5 GFBDRN Cc1cc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000428433921 563492319 /nfs/dbraw/zinc/49/23/19/563492319.db2.gz ITJNWMHITIYLQR-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN CCCn1ccnc1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000428428318 563492379 /nfs/dbraw/zinc/49/23/79/563492379.db2.gz WYCJCEMSTGJNNK-UHFFFAOYSA-N 0 0 386.499 2.825 20 5 GFBDRN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000378257017 563500430 /nfs/dbraw/zinc/50/04/30/563500430.db2.gz NXHIINXAQZAHFK-NSHDSACASA-N 0 0 385.833 2.591 20 5 GFBDRN COc1ccc(Br)c(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000429051418 563509267 /nfs/dbraw/zinc/50/92/67/563509267.db2.gz HHHMJMPITSVTCN-UHFFFAOYSA-N 0 0 397.229 2.611 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000285505782 563524367 /nfs/dbraw/zinc/52/43/67/563524367.db2.gz FRHPLKMPHHOFCS-UHFFFAOYSA-N 0 0 384.230 2.536 20 5 GFBDRN O=C(Nc1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429842350 563524829 /nfs/dbraw/zinc/52/48/29/563524829.db2.gz CTQFPSXKRDIWOF-UHFFFAOYSA-N 0 0 392.165 2.941 20 5 GFBDRN Cc1nnc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1C1CC1 ZINC000285580927 563527417 /nfs/dbraw/zinc/52/74/17/563527417.db2.gz KNBDFCQWGNFMEE-UHFFFAOYSA-N 0 0 394.229 2.831 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c(F)cc(F)c(F)c2F)c(F)c1 ZINC000429914026 563528780 /nfs/dbraw/zinc/52/87/80/563528780.db2.gz MHLPOHUAAFMHJV-UHFFFAOYSA-N 0 0 382.266 2.769 20 5 GFBDRN COC(=O)c1cnc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000429943981 563529442 /nfs/dbraw/zinc/52/94/42/563529442.db2.gz MZWYOSPEJCKKBS-UHFFFAOYSA-N 0 0 386.183 2.853 20 5 GFBDRN CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000430312281 563541086 /nfs/dbraw/zinc/54/10/86/563541086.db2.gz OUSMCSQLLMYKQJ-SNVBAGLBSA-N 0 0 384.230 2.863 20 5 GFBDRN CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000331247912 563542151 /nfs/dbraw/zinc/54/21/51/563542151.db2.gz UFOCDUSNWJZETK-GFCCVEGCSA-N 0 0 390.845 2.743 20 5 GFBDRN CO[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000331264526 563542903 /nfs/dbraw/zinc/54/29/03/563542903.db2.gz GVKLRBTVQNDSIO-ZYHUDNBSSA-N 0 0 386.246 2.795 20 5 GFBDRN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000408135291 563546022 /nfs/dbraw/zinc/54/60/22/563546022.db2.gz XFHLGEODZQYODL-DGCLKSJQSA-N 0 0 376.862 2.666 20 5 GFBDRN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)C(=O)c1ccc(Cl)s1 ZINC000430645058 563546747 /nfs/dbraw/zinc/54/67/47/563546747.db2.gz NLUXWIQAUODDMV-UHFFFAOYSA-N 0 0 376.781 2.943 20 5 GFBDRN C[C@@H](N[C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000431077111 563552846 /nfs/dbraw/zinc/55/28/46/563552846.db2.gz NDMMUPQOSJGBSV-NXEZZACHSA-N 0 0 394.229 2.825 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCS1 ZINC000408394898 563553839 /nfs/dbraw/zinc/55/38/39/563553839.db2.gz RNAHNEBKGDEJKC-UHFFFAOYSA-N 0 0 395.300 2.873 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000431145071 563555227 /nfs/dbraw/zinc/55/52/27/563555227.db2.gz VZJGWJOVLKQQHZ-UHFFFAOYSA-N 0 0 380.275 2.961 20 5 GFBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2ncc(Br)cn2)c1[N+](=O)[O-] ZINC000431499671 563561195 /nfs/dbraw/zinc/56/11/95/563561195.db2.gz JZRWZQSSQLYNFG-QMMMGPOBSA-N 0 0 396.201 2.810 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286490619 563562061 /nfs/dbraw/zinc/56/20/61/563562061.db2.gz ABZIXIKHLBXXSO-INIZCTEOSA-N 0 0 384.841 2.791 20 5 GFBDRN COc1ccc(CCNc2c(Cl)cccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000432137514 563575924 /nfs/dbraw/zinc/57/59/24/563575924.db2.gz HMZCLJIOVNBSAH-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000410026834 563578591 /nfs/dbraw/zinc/57/85/91/563578591.db2.gz QSHSXTGBFNLTBO-NSHDSACASA-N 0 0 375.834 2.679 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332177929 563580997 /nfs/dbraw/zinc/58/09/97/563580997.db2.gz VUMNUHQDGNMEME-AWEZNQCLSA-N 0 0 376.862 2.632 20 5 GFBDRN CC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O ZINC000287315661 563596237 /nfs/dbraw/zinc/59/62/37/563596237.db2.gz JQZLLFLRBAHQNQ-PWSUYJOCSA-N 0 0 391.287 2.755 20 5 GFBDRN CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000287533809 563605790 /nfs/dbraw/zinc/60/57/90/563605790.db2.gz VRBWWKZOWNGBLX-RNONLVERSA-N 0 0 388.873 2.775 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000287568919 563607999 /nfs/dbraw/zinc/60/79/99/563607999.db2.gz WRWSQWOQBDUIJW-HNNXBMFYSA-N 0 0 384.841 2.791 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000287621475 563610585 /nfs/dbraw/zinc/61/05/85/563610585.db2.gz ZEDJCYOYTFPASN-KEUSVDHNSA-N 0 0 389.271 2.729 20 5 GFBDRN Cc1c(NC(=O)NCCC[S@@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000435324364 563648155 /nfs/dbraw/zinc/64/81/55/563648155.db2.gz VZDROUXHFXLMLW-OAQYLSRUSA-N 0 0 378.248 2.556 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Br)c1F ZINC000435906310 563660030 /nfs/dbraw/zinc/66/00/30/563660030.db2.gz FRCKUECWWFKGFV-UHFFFAOYSA-N 0 0 391.584 2.776 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350824858 563677713 /nfs/dbraw/zinc/67/77/13/563677713.db2.gz QYPPSFHBPYMPEM-ZETCQYMHSA-N 0 0 386.436 2.807 20 5 GFBDRN Cc1c(Br)c(=O)n(CCCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000413004652 563679427 /nfs/dbraw/zinc/67/94/27/563679427.db2.gz XLLPBPSWYAKMTJ-UHFFFAOYSA-N 0 0 386.246 2.620 20 5 GFBDRN NC(=O)c1c[nH]c(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000351037097 563680370 /nfs/dbraw/zinc/68/03/70/563680370.db2.gz ICDDBKUMDHLCOW-UHFFFAOYSA-N 0 0 378.142 2.501 20 5 GFBDRN CCN1C[C@H](c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)CC1=O ZINC000351376276 563687837 /nfs/dbraw/zinc/68/78/37/563687837.db2.gz BHXHVAQRYUTGBQ-MRVPVSSYSA-N 0 0 381.186 2.743 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(-c2nc(Cc3ncsc3Br)no2)n1 ZINC000351374892 563687966 /nfs/dbraw/zinc/68/79/66/563687966.db2.gz ATIQEHITNOGCQM-UHFFFAOYSA-N 0 0 385.203 2.671 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000289990996 563693588 /nfs/dbraw/zinc/69/35/88/563693588.db2.gz SKBUVQPGKANTEN-CYBMUJFWSA-N 0 0 384.845 2.697 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC3(CCC3)S(=O)(=O)CC2)cc1OC(F)F ZINC000413558293 563697384 /nfs/dbraw/zinc/69/73/84/563697384.db2.gz HSYMIAZVTGQRDO-UHFFFAOYSA-N 0 0 376.381 2.744 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000362157062 563704456 /nfs/dbraw/zinc/70/44/56/563704456.db2.gz SWZFIOSJAVOTGK-SECBINFHSA-N 0 0 380.202 2.759 20 5 GFBDRN CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438637790 563708844 /nfs/dbraw/zinc/70/88/44/563708844.db2.gz PPWPFEWWQKWSEX-NSHDSACASA-N 0 0 395.213 2.687 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)ccc1Br ZINC000438978569 563714696 /nfs/dbraw/zinc/71/46/96/563714696.db2.gz YJMUGPNIDFIFRA-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN COCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000290638319 563716207 /nfs/dbraw/zinc/71/62/07/563716207.db2.gz DENBJCMBGXDMNK-UHFFFAOYSA-N 0 0 383.253 2.949 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C ZINC000439120464 563717650 /nfs/dbraw/zinc/71/76/50/563717650.db2.gz UPVZYMSZVXZZNS-CYBMUJFWSA-N 0 0 385.873 2.939 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000439232599 563719834 /nfs/dbraw/zinc/71/98/34/563719834.db2.gz KRTURKVOFLHEDX-UHFFFAOYSA-N 0 0 391.165 2.896 20 5 GFBDRN Cc1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(C)c1 ZINC000414149534 563721000 /nfs/dbraw/zinc/72/10/00/563721000.db2.gz SXUHPOPFEREWMY-CYBMUJFWSA-N 0 0 397.225 2.576 20 5 GFBDRN CCc1cccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 ZINC000414148786 563721189 /nfs/dbraw/zinc/72/11/89/563721189.db2.gz SDNCDKOEYJJJPJ-ZDUSSCGKSA-N 0 0 397.225 2.521 20 5 GFBDRN Cc1cc(Br)c2c(c1)CN(c1nccc(C(N)=O)c1[N+](=O)[O-])CC2 ZINC000290950733 563727280 /nfs/dbraw/zinc/72/72/80/563727280.db2.gz MUUWKVYYBRJPQE-UHFFFAOYSA-N 0 0 391.225 2.722 20 5 GFBDRN C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440359677 563739926 /nfs/dbraw/zinc/73/99/26/563739926.db2.gz WODRACMGOBYOSB-BDAKNGLRSA-N 0 0 382.269 2.568 20 5 GFBDRN CCN(C[C@@H](C)OC)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000291441828 563743154 /nfs/dbraw/zinc/74/31/54/563743154.db2.gz KOANNCOEBKDEOV-SECBINFHSA-N 0 0 392.193 2.696 20 5 GFBDRN CCOCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000291759203 563757394 /nfs/dbraw/zinc/75/73/94/563757394.db2.gz CUCONNCUWYHLNV-MRVPVSSYSA-N 0 0 399.201 2.768 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441876432 563765142 /nfs/dbraw/zinc/76/51/42/563765142.db2.gz SZLDDIGAHGLIBO-ZJUUUORDSA-N 0 0 395.264 2.949 20 5 GFBDRN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292158169 563776658 /nfs/dbraw/zinc/77/66/58/563776658.db2.gz CNLPXTCCBJAGIW-GFCCVEGCSA-N 0 0 390.845 2.748 20 5 GFBDRN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365201416 563777123 /nfs/dbraw/zinc/77/71/23/563777123.db2.gz YQMPQGKDJYOIJX-PWSUYJOCSA-N 0 0 383.223 2.807 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000292258568 563779987 /nfs/dbraw/zinc/77/99/87/563779987.db2.gz KLTHYZIVCPMXAA-PSLIRLAXSA-N 0 0 375.208 2.922 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000366357783 563806209 /nfs/dbraw/zinc/80/62/09/563806209.db2.gz IWVXMDFIHMZXDC-TZMCWYRMSA-N 0 0 396.241 2.926 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCO)Cc2ccccc2)c(Cl)c1 ZINC000443510082 563807328 /nfs/dbraw/zinc/80/73/28/563807328.db2.gz MSCVEYZZRHYNNJ-UHFFFAOYSA-N 0 0 384.841 2.822 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000366528757 563812073 /nfs/dbraw/zinc/81/20/73/563812073.db2.gz FQKKMSPKGLGREX-GDBMZVCRSA-N 0 0 399.241 2.767 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCS[C@H]2COCC[C@H]21 ZINC000293509855 563816521 /nfs/dbraw/zinc/81/65/21/563816521.db2.gz XTLJAOCTNWFPJU-OLZOCXBDSA-N 0 0 376.356 2.960 20 5 GFBDRN CCOC1CC(O)(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000443968607 563817060 /nfs/dbraw/zinc/81/70/60/563817060.db2.gz WSLPXZFFFBZJSW-UHFFFAOYSA-N 0 0 396.241 2.669 20 5 GFBDRN CO[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455215 563831101 /nfs/dbraw/zinc/83/11/01/563831101.db2.gz KDIPOEGOOQNNTP-CABZTGNLSA-N 0 0 382.360 2.707 20 5 GFBDRN COCCC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416488266 563837057 /nfs/dbraw/zinc/83/70/57/563837057.db2.gz OBWCHIHOYPAEHS-UHFFFAOYSA-N 0 0 382.360 2.661 20 5 GFBDRN COc1ccc(Br)cc1CN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444827767 563837502 /nfs/dbraw/zinc/83/75/02/563837502.db2.gz KCQGUXXCAPHGDO-UHFFFAOYSA-N 0 0 396.197 2.739 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC[C@]12CCOC2 ZINC000367437003 563845322 /nfs/dbraw/zinc/84/53/22/563845322.db2.gz UNLCSWMCZWJZIZ-CYBMUJFWSA-N 0 0 380.344 2.648 20 5 GFBDRN C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552732 563847174 /nfs/dbraw/zinc/84/71/74/563847174.db2.gz HXMDAXFJLWMGCI-SNVBAGLBSA-N 0 0 396.296 2.912 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000367559593 563848817 /nfs/dbraw/zinc/84/88/17/563848817.db2.gz NSVWKKMPMFNGGT-VIFPVBQESA-N 0 0 388.808 2.679 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csnn1 ZINC000416635342 563856066 /nfs/dbraw/zinc/85/60/66/563856066.db2.gz PHXWNVFAUZXZPJ-ZCFIWIBFSA-N 0 0 382.345 2.505 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000368474794 563871726 /nfs/dbraw/zinc/87/17/26/563871726.db2.gz PQDGZLYZHNUZFY-OAHLLOKOSA-N 0 0 395.257 2.924 20 5 GFBDRN Nc1nc(N2CCC[C@H](Nc3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC000447810545 563887016 /nfs/dbraw/zinc/88/70/16/563887016.db2.gz JMGPDPPLCZEOIT-LBPRGKRZSA-N 0 0 393.245 2.641 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1cn2c(n1)SCC2 ZINC000447804683 563887293 /nfs/dbraw/zinc/88/72/93/563887293.db2.gz ZWJUOBHHPUFUBY-UHFFFAOYSA-N 0 0 382.829 2.992 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000448101144 563893563 /nfs/dbraw/zinc/89/35/63/563893563.db2.gz APDFDUBTFOYKEG-SNVBAGLBSA-N 0 0 381.435 2.513 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000538041565 564180783 /nfs/dbraw/zinc/18/07/83/564180783.db2.gz NNRQNWBLMKRPDJ-LKFCYVNXSA-N 0 0 397.229 2.597 20 5 GFBDRN O=C(NCC(=O)N1CCCC[C@H]1C(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000505454188 564183896 /nfs/dbraw/zinc/18/38/96/564183896.db2.gz URGXGIMSLQYXCZ-NSHDSACASA-N 0 0 375.759 2.624 20 5 GFBDRN C[C@@H](CCO)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000538282289 564187582 /nfs/dbraw/zinc/18/75/82/564187582.db2.gz AKWPYCSCEJNWDB-NSHDSACASA-N 0 0 376.862 2.715 20 5 GFBDRN CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000471204464 564189050 /nfs/dbraw/zinc/18/90/50/564189050.db2.gz OQNKXNFALYWGJL-UHFFFAOYSA-N 0 0 393.197 2.706 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2nc(CO)cs2)cc1[N+](=O)[O-] ZINC000505963799 564193059 /nfs/dbraw/zinc/19/30/59/564193059.db2.gz GGENYRBILFMYEK-UHFFFAOYSA-N 0 0 386.227 2.545 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539386430 564218478 /nfs/dbraw/zinc/21/84/78/564218478.db2.gz AQDKBAOUPFIIBW-GFCCVEGCSA-N 0 0 383.813 2.835 20 5 GFBDRN CSc1cc(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])ccn1 ZINC000540038831 564238426 /nfs/dbraw/zinc/23/84/26/564238426.db2.gz OPTRKUZWZZNJBX-UHFFFAOYSA-N 0 0 382.467 2.574 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC(CF)CF ZINC000450596822 564241000 /nfs/dbraw/zinc/24/10/00/564241000.db2.gz XXEMUZAEMRQNEF-UHFFFAOYSA-N 0 0 377.413 2.879 20 5 GFBDRN CNc1c(C(=O)NCCCCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000473290141 564243649 /nfs/dbraw/zinc/24/36/49/564243649.db2.gz FBDVJPWYDLAEGZ-UHFFFAOYSA-N 0 0 396.245 2.806 20 5 GFBDRN Cn1ccc(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n1 ZINC000564763769 564247758 /nfs/dbraw/zinc/24/77/58/564247758.db2.gz YZBPCQRCXRFOLY-UHFFFAOYSA-N 0 0 378.186 2.655 20 5 GFBDRN CC(C)[C@H](O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000540560599 564251693 /nfs/dbraw/zinc/25/16/93/564251693.db2.gz NSWRSWALAXLJHX-HNNXBMFYSA-N 0 0 385.258 2.813 20 5 GFBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1ncc([N+](=O)[O-])s1 ZINC000450889527 564253000 /nfs/dbraw/zinc/25/30/00/564253000.db2.gz RCIMDJZRAWNWGE-SNVBAGLBSA-N 0 0 386.271 2.807 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2c[nH]cc(Br)c2=O)c1 ZINC000540622163 564253157 /nfs/dbraw/zinc/25/31/57/564253157.db2.gz OWGPSXQCOIFLAM-UHFFFAOYSA-N 0 0 396.197 2.762 20 5 GFBDRN COC(=O)c1cccc(CCNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000508372075 564262595 /nfs/dbraw/zinc/26/25/95/564262595.db2.gz WTAJTPWUXSCRNS-UHFFFAOYSA-N 0 0 380.198 2.615 20 5 GFBDRN Cc1cc(S(=O)(=O)NCCNc2nc(C)cc(C)c2[N+](=O)[O-])c(C)s1 ZINC000541006205 564262932 /nfs/dbraw/zinc/26/29/32/564262932.db2.gz YJFJWLZOTIJUIK-UHFFFAOYSA-N 0 0 384.483 2.675 20 5 GFBDRN O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3sccc3Cl)CC2)c1 ZINC000451056095 564269149 /nfs/dbraw/zinc/26/91/49/564269149.db2.gz AITXVYUJWDDQJD-UHFFFAOYSA-N 0 0 387.870 2.821 20 5 GFBDRN CS(=O)(=O)c1ccc(F)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541268181 564271665 /nfs/dbraw/zinc/27/16/65/564271665.db2.gz CHGPMRQURJRURG-UHFFFAOYSA-N 0 0 384.410 2.868 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c1 ZINC000565274992 564273761 /nfs/dbraw/zinc/27/37/61/564273761.db2.gz FJULNHBAPWKPQZ-VIFPVBQESA-N 0 0 389.149 2.683 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(F)c1 ZINC000474342856 564275126 /nfs/dbraw/zinc/27/51/26/564275126.db2.gz RUQVAPCHIBJNQA-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN O=C(c1ccccc1)N1CC[C@@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000509089176 564281651 /nfs/dbraw/zinc/28/16/51/564281651.db2.gz JLMQJLKYRDFYBW-LLVKDONJSA-N 0 0 379.214 2.716 20 5 GFBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000542050171 564299352 /nfs/dbraw/zinc/29/93/52/564299352.db2.gz HBNOOYRHECJZRY-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1cc(Br)cnc1C(N)=O ZINC000509479558 564301259 /nfs/dbraw/zinc/30/12/59/564301259.db2.gz YZNGTPJPHFVATF-UHFFFAOYSA-N 0 0 379.214 2.530 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCSC[C@@H]1CCO ZINC000475205196 564303366 /nfs/dbraw/zinc/30/33/66/564303366.db2.gz QXIMNDASZKJADJ-JTQLQIEISA-N 0 0 379.360 2.945 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(-c3ccsc3)no2)cc1[N+](=O)[O-] ZINC000542216544 564305129 /nfs/dbraw/zinc/30/51/29/564305129.db2.gz AQHSXAGIVYOGHR-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000542217121 564305269 /nfs/dbraw/zinc/30/52/69/564305269.db2.gz DOEAZLVAARPVFZ-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN Cc1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nc1[N+](=O)[O-] ZINC000509801950 564313850 /nfs/dbraw/zinc/31/38/50/564313850.db2.gz HXPBFXMCHUWHCO-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN CCCn1nccc1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000509858558 564315334 /nfs/dbraw/zinc/31/53/34/564315334.db2.gz RQJAEAYTDVBEHQ-UHFFFAOYSA-N 0 0 396.201 2.541 20 5 GFBDRN COc1cc(S(=O)(=O)NC[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000451609899 564331297 /nfs/dbraw/zinc/33/12/97/564331297.db2.gz DTFGMUPYBCKKKI-LLVKDONJSA-N 0 0 380.447 2.771 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000510522737 564336475 /nfs/dbraw/zinc/33/64/75/564336475.db2.gz IXOOMEDCLVPDNO-CPCISQLKSA-N 0 0 395.300 2.696 20 5 GFBDRN COC[C@]1(C)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000451663809 564337046 /nfs/dbraw/zinc/33/70/46/564337046.db2.gz MSUGNEFMTSGOLS-CYBMUJFWSA-N 0 0 383.253 2.949 20 5 GFBDRN CC[C@@H](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451683549 564339430 /nfs/dbraw/zinc/33/94/30/564339430.db2.gz UXJLLBMFUSLTDT-SKDRFNHKSA-N 0 0 384.376 2.953 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000543149296 564340284 /nfs/dbraw/zinc/34/02/84/564340284.db2.gz LSIYGNAMARHDIF-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451707543 564341900 /nfs/dbraw/zinc/34/19/00/564341900.db2.gz AMBBUODTEQZZTJ-LDYMZIIASA-N 0 0 383.253 2.683 20 5 GFBDRN C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000566807693 564344541 /nfs/dbraw/zinc/34/45/41/564344541.db2.gz GHWBLDDJWFDJFL-VHSXEESVSA-N 0 0 379.467 2.703 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476562712 564345063 /nfs/dbraw/zinc/34/50/63/564345063.db2.gz DEROFBMLVUNZDE-LKFCYVNXSA-N 0 0 390.845 2.519 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2ccnc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000451748715 564347909 /nfs/dbraw/zinc/34/79/09/564347909.db2.gz MZFUMOUHONODJL-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN CO[C@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)n1 ZINC000543436265 564350445 /nfs/dbraw/zinc/35/04/45/564350445.db2.gz GCGWEPMMYDYVMP-MRVPVSSYSA-N 0 0 386.206 2.788 20 5 GFBDRN CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824837 564356354 /nfs/dbraw/zinc/35/63/54/564356354.db2.gz PPPRHLGUANSLEA-FZMZJTMJSA-N 0 0 376.862 2.978 20 5 GFBDRN CC(C)[C@H]1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000451831337 564357294 /nfs/dbraw/zinc/35/72/94/564357294.db2.gz ZNAGQUFLDJVFTL-BXUZGUMPSA-N 0 0 376.862 2.978 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000543666102 564358170 /nfs/dbraw/zinc/35/81/70/564358170.db2.gz AGIKFEANCWDYSQ-UHFFFAOYSA-N 0 0 399.176 2.513 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451893731 564363253 /nfs/dbraw/zinc/36/32/53/564363253.db2.gz CEAAZBZAYDOTDS-OCCSQVGLSA-N 0 0 383.451 2.558 20 5 GFBDRN O=C1[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1Cl ZINC000477089692 564364441 /nfs/dbraw/zinc/36/44/41/564364441.db2.gz QNAVYNSSOYYHJT-OAHLLOKOSA-N 0 0 380.809 2.827 20 5 GFBDRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000567306107 564366220 /nfs/dbraw/zinc/36/62/20/564366220.db2.gz LZXXBAWEVBMSDV-UHFFFAOYSA-N 0 0 382.825 2.842 20 5 GFBDRN Cc1ccnc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000543911917 564369040 /nfs/dbraw/zinc/36/90/40/564369040.db2.gz NOTSGTXNVLJCAR-UHFFFAOYSA-N 0 0 383.451 2.592 20 5 GFBDRN O=C(NCCc1ccco1)c1ccc([N+](=O)[O-])cc1I ZINC000511565956 564375456 /nfs/dbraw/zinc/37/54/56/564375456.db2.gz MMODPGITUMRIOZ-UHFFFAOYSA-N 0 0 386.145 2.765 20 5 GFBDRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NCc1csc([N+](=O)[O-])c1 ZINC000511798839 564381871 /nfs/dbraw/zinc/38/18/71/564381871.db2.gz ZGEQKEXDOIUUSA-UHFFFAOYSA-N 0 0 385.467 2.917 20 5 GFBDRN CCc1cnccc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000511872626 564385122 /nfs/dbraw/zinc/38/51/22/564385122.db2.gz CGRPXCRRAHNNQG-UHFFFAOYSA-N 0 0 397.172 2.831 20 5 GFBDRN Cc1c(Br)c(NC[C@@H](CO)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000544392949 564385128 /nfs/dbraw/zinc/38/51/28/564385128.db2.gz JUMVZUIHEOBXTL-ZDUSSCGKSA-N 0 0 380.242 2.746 20 5 GFBDRN COC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452102191 564392949 /nfs/dbraw/zinc/39/29/49/564392949.db2.gz UMGMJYNORJLCET-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000478128282 564395855 /nfs/dbraw/zinc/39/58/55/564395855.db2.gz LVDWLXFWOFSDBN-JTQLQIEISA-N 0 0 385.207 2.929 20 5 GFBDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000512324914 564397862 /nfs/dbraw/zinc/39/78/62/564397862.db2.gz SNXVMRKGBQXAIK-SECBINFHSA-N 0 0 379.214 2.850 20 5 GFBDRN Cn1cc(Br)c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000452760332 564430488 /nfs/dbraw/zinc/43/04/88/564430488.db2.gz ZWWBBINUOIWPHC-UHFFFAOYSA-N 0 0 394.229 2.595 20 5 GFBDRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000513814054 564439470 /nfs/dbraw/zinc/43/94/70/564439470.db2.gz QOLGULVVCAAVAW-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 ZINC000546093242 564444623 /nfs/dbraw/zinc/44/46/23/564444623.db2.gz ZQANNASKLZJEAB-MRVPVSSYSA-N 0 0 375.200 2.990 20 5 GFBDRN COCCO[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000514064468 564445898 /nfs/dbraw/zinc/44/58/98/564445898.db2.gz XFXASSNUBXAPRZ-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000479810767 564451279 /nfs/dbraw/zinc/45/12/79/564451279.db2.gz VCKYHNIFZIDSOT-UHFFFAOYSA-N 0 0 382.199 2.620 20 5 GFBDRN CC(C)N(CCc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000546354872 564454633 /nfs/dbraw/zinc/45/46/33/564454633.db2.gz NQYLNXDRAYKDBQ-UHFFFAOYSA-N 0 0 388.833 2.511 20 5 GFBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000479985631 564456914 /nfs/dbraw/zinc/45/69/14/564456914.db2.gz FYXRUIRPSILUNR-UHFFFAOYSA-N 0 0 397.229 2.632 20 5 GFBDRN Cc1csc(=O)n1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000515095061 564469953 /nfs/dbraw/zinc/46/99/53/564469953.db2.gz 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Cc1c(NC(=O)C(=O)N(C)Cc2ccc[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000430347154 563541738 /nfs/dbraw/zinc/54/17/38/563541738.db2.gz WFYCIYXUDHKSOJ-UHFFFAOYSA-N 0 0 395.213 2.591 20 5 GFBDRN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285900381 563541874 /nfs/dbraw/zinc/54/18/74/563541874.db2.gz YDZLEOXQNAOUIN-OTYXRUKQSA-N 0 0 395.213 2.683 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCO[C@]2(CCOC2)C1 ZINC000408275016 563549349 /nfs/dbraw/zinc/54/93/49/563549349.db2.gz RVTVYRYDBKJVMB-MRXNPFEDSA-N 0 0 394.225 2.901 20 5 GFBDRN CN(CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC(F)(F)F ZINC000430950117 563550822 /nfs/dbraw/zinc/55/08/22/563550822.db2.gz GAZPTOWWQUSPEY-UHFFFAOYSA-N 0 0 384.152 2.581 20 5 GFBDRN CC(=O)c1cc(NCCNS(=O)(=O)c2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000286246718 563553699 /nfs/dbraw/zinc/55/36/99/563553699.db2.gz OWRAIADTWICZGR-UHFFFAOYSA-N 0 0 383.451 2.558 20 5 GFBDRN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000431172904 563555681 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CN(c1ccc(O)cc1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000435714042 563656857 /nfs/dbraw/zinc/65/68/57/563656857.db2.gz ICAJVLOLTCKRRK-UHFFFAOYSA-N 0 0 387.211 2.888 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-] ZINC000412445974 563658439 /nfs/dbraw/zinc/65/84/39/563658439.db2.gz SRKHGNOSWIHJIP-UHFFFAOYSA-N 0 0 393.241 2.988 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(CF)C1 ZINC000412523255 563660762 /nfs/dbraw/zinc/66/07/62/563660762.db2.gz WWXXIHCCLOUUBW-UHFFFAOYSA-N 0 0 378.141 2.549 20 5 GFBDRN C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000412655008 563665481 /nfs/dbraw/zinc/66/54/81/563665481.db2.gz LDRZYMLUJMDOLG-QMMMGPOBSA-N 0 0 381.738 2.683 20 5 GFBDRN Cn1cc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cn1 ZINC000350109976 563668073 /nfs/dbraw/zinc/66/80/73/563668073.db2.gz CHAUWGZLEIBJDB-UHFFFAOYSA-N 0 0 394.185 2.644 20 5 GFBDRN CN1C[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000436470927 563671169 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O=[N+]([O-])c1ccc(S(=O)(=O)NCCCc2nccs2)c(C(F)(F)F)c1 ZINC000290077828 563697383 /nfs/dbraw/zinc/69/73/83/563697383.db2.gz GSYRBFSHHPOBBZ-UHFFFAOYSA-N 0 0 395.384 2.981 20 5 GFBDRN Cn1c(CCC(N)=O)nnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290098749 563697860 /nfs/dbraw/zinc/69/78/60/563697860.db2.gz WPJQTZDXEYQTPQ-UHFFFAOYSA-N 0 0 390.252 2.740 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000439198715 563719208 /nfs/dbraw/zinc/71/92/08/563719208.db2.gz DIIGMOQEHBBRPW-UHFFFAOYSA-N 0 0 378.435 2.833 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCc2nccs2)cc1[N+](=O)[O-] ZINC000439252644 563721653 /nfs/dbraw/zinc/72/16/53/563721653.db2.gz QKGQEPORGBMLTL-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1Cl ZINC000290898941 563725756 /nfs/dbraw/zinc/72/57/56/563725756.db2.gz DTMMDPWBZGKICF-UHFFFAOYSA-N 0 0 386.817 2.597 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CCCn2ncnc21 ZINC000439594417 563728835 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CCOCc1nc([C@@H](C)NC(=O)c2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000291772224 563757932 /nfs/dbraw/zinc/75/79/32/563757932.db2.gz DURUMQCVKSRJPM-MRVPVSSYSA-N 0 0 399.201 2.768 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@](CO)(c2ccccc2)C1 ZINC000292210671 563778733 /nfs/dbraw/zinc/77/87/33/563778733.db2.gz DDUZRRTZBZVPKG-INIZCTEOSA-N 0 0 378.226 2.893 20 5 GFBDRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000292285830 563781736 /nfs/dbraw/zinc/78/17/36/563781736.db2.gz LZXXOTHBBXJLNN-CYBMUJFWSA-N 0 0 389.861 2.781 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCn2cncc2C1 ZINC000365741867 563792116 /nfs/dbraw/zinc/79/21/16/563792116.db2.gz ILWZKQXUAMYHRD-UHFFFAOYSA-N 0 0 385.605 2.863 20 5 GFBDRN CCCCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443137172 563793234 /nfs/dbraw/zinc/79/32/34/563793234.db2.gz BZEACEPZIRTZBO-UHFFFAOYSA-N 0 0 395.275 2.531 20 5 GFBDRN Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366068561 563798564 /nfs/dbraw/zinc/79/85/64/563798564.db2.gz QMCFRJMZMDUOTC-CYBMUJFWSA-N 0 0 384.845 2.816 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CCNc1ncc([N+](=O)[O-])s1 ZINC000443513273 563807581 /nfs/dbraw/zinc/80/75/81/563807581.db2.gz AWAGIWYRXOPIDZ-UHFFFAOYSA-N 0 0 385.243 2.985 20 5 GFBDRN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443938007 563815218 /nfs/dbraw/zinc/81/52/18/563815218.db2.gz VGPNPHUXSYSTQD-KRTXAFLBSA-N 0 0 388.339 2.998 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(CC(F)F)C1 ZINC000416347046 563816692 /nfs/dbraw/zinc/81/66/92/563816692.db2.gz BSSXDVICKKMMKZ-JTQLQIEISA-N 0 0 379.816 2.796 20 5 GFBDRN C[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394785 563822353 /nfs/dbraw/zinc/82/23/53/563822353.db2.gz ZLKFYZROBGVSBN-MWLCHTKSSA-N 0 0 382.360 2.850 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000416429355 563827882 /nfs/dbraw/zinc/82/78/82/563827882.db2.gz VSWBESXFMFGLLM-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000367060000 563829544 /nfs/dbraw/zinc/82/95/44/563829544.db2.gz AEVRTQOLAMBKDO-JTQLQIEISA-N 0 0 379.214 2.676 20 5 GFBDRN CN(CC1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416447211 563830173 /nfs/dbraw/zinc/83/01/73/563830173.db2.gz BSZQSGUNUGHGPX-UHFFFAOYSA-N 0 0 382.360 2.661 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000367192796 563835277 /nfs/dbraw/zinc/83/52/77/563835277.db2.gz TWCJAVHJJMLLTF-NSHDSACASA-N 0 0 382.829 2.607 20 5 GFBDRN COC1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416546783 563846459 /nfs/dbraw/zinc/84/64/59/563846459.db2.gz UCGGMJAMBRYCMS-UHFFFAOYSA-N 0 0 382.360 2.850 20 5 GFBDRN CC(C)(C)S(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294648177 563850048 /nfs/dbraw/zinc/85/00/48/563850048.db2.gz GPFYDUOWCZRVRR-UHFFFAOYSA-N 0 0 382.360 2.557 20 5 GFBDRN COC(=O)c1cc(-c2nc(-c3nnc(SC)s3)no2)cc([N+](=O)[O-])c1 ZINC000445613505 563851584 /nfs/dbraw/zinc/85/15/84/563851584.db2.gz PTHOERWAEJPBOR-UHFFFAOYSA-N 0 0 379.379 2.672 20 5 GFBDRN CC1(C)CCC[C@](O)(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000445738269 563853536 /nfs/dbraw/zinc/85/35/36/563853536.db2.gz GEVIWULEYRDQKD-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC(F)(F)F ZINC000445794077 563854597 /nfs/dbraw/zinc/85/45/97/563854597.db2.gz MQLGESOQQACYKN-UHFFFAOYSA-N 0 0 398.179 2.510 20 5 GFBDRN CC1(C)CCC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000445755213 563854638 /nfs/dbraw/zinc/85/46/38/563854638.db2.gz GUJSTQUPHASOTH-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN O=[N+]([O-])c1cnn([C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000367947426 563860434 /nfs/dbraw/zinc/86/04/34/563860434.db2.gz JJYDVTLHKYZGFJ-AWEZNQCLSA-N 0 0 384.845 2.612 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCCC[C@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000368218684 563866895 /nfs/dbraw/zinc/86/68/95/563866895.db2.gz IMTDWTPYDUOCIT-OAHLLOKOSA-N 0 0 384.230 2.536 20 5 GFBDRN C[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028640 563872714 /nfs/dbraw/zinc/87/27/14/563872714.db2.gz IVIQJESPGQBWKI-GXSJLCMTSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(c3cn[nH]c3)CC2)c1 ZINC000368846566 563880037 /nfs/dbraw/zinc/88/00/37/563880037.db2.gz VSXKAYOGUYRQKW-UHFFFAOYSA-N 0 0 384.845 2.848 20 5 GFBDRN Cc1cc(Br)c(=O)n(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000447422998 563881499 /nfs/dbraw/zinc/88/14/99/563881499.db2.gz OVQCVLOFVYEFIQ-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cc1cc(Br)c(=O)n(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000447416203 563881762 /nfs/dbraw/zinc/88/17/62/563881762.db2.gz FVGRWNCNTULHCZ-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)S1=O ZINC000447696087 563884815 /nfs/dbraw/zinc/88/48/15/563884815.db2.gz PZQCPCBDLWGTKP-YUMQZZPRSA-N 0 0 387.330 2.990 20 5 GFBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000470829023 564178589 /nfs/dbraw/zinc/17/85/89/564178589.db2.gz CGSWKTABVFQNGJ-MRVPVSSYSA-N 0 0 383.202 2.590 20 5 GFBDRN CS(=O)(=O)N1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000563322117 564186414 /nfs/dbraw/zinc/18/64/14/564186414.db2.gz SEKHDBNEEPVOCY-NSHDSACASA-N 0 0 392.275 2.583 20 5 GFBDRN CS(=O)(=O)Nc1ccc(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000471296145 564192469 /nfs/dbraw/zinc/19/24/69/564192469.db2.gz KEXMOLSBUTYFHA-UHFFFAOYSA-N 0 0 384.797 2.881 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCc2c(F)cc(Br)cc21 ZINC000538578522 564194597 /nfs/dbraw/zinc/19/45/97/564194597.db2.gz KXXQLRIWXWMLRB-UHFFFAOYSA-N 0 0 383.177 2.672 20 5 GFBDRN CCc1ccc(S(=O)(=O)NCc2cnc(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000563620200 564199183 /nfs/dbraw/zinc/19/91/83/564199183.db2.gz KUNAADSTPNFVJY-UHFFFAOYSA-N 0 0 385.829 2.693 20 5 GFBDRN COc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000472356024 564222019 /nfs/dbraw/zinc/22/20/19/564222019.db2.gz NHHKOIXATZSQBS-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000539818141 564230045 /nfs/dbraw/zinc/23/00/45/564230045.db2.gz RKNWJWSQXULDRW-LBPRGKRZSA-N 0 0 381.479 2.585 20 5 GFBDRN Cc1nc(N2CCN(Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450395369 564230650 /nfs/dbraw/zinc/23/06/50/564230650.db2.gz SUJHQEZGJQSKTH-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN CN(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000539888357 564231961 /nfs/dbraw/zinc/23/19/61/564231961.db2.gz GROQMACSSHZZGK-ZDUSSCGKSA-N 0 0 383.495 2.645 20 5 GFBDRN CS(=O)(=O)CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450539132 564237755 /nfs/dbraw/zinc/23/77/55/564237755.db2.gz JCDLJZFMWIJSNV-UHFFFAOYSA-N 0 0 381.479 2.979 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000507695524 564239330 /nfs/dbraw/zinc/23/93/30/564239330.db2.gz VBPNLWVKTAOWHF-QMMMGPOBSA-N 0 0 385.193 2.879 20 5 GFBDRN CO[C@H]1COCC[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450691111 564244834 /nfs/dbraw/zinc/24/48/34/564244834.db2.gz IAALZJLKAADKAX-BMIGLBTASA-N 0 0 396.241 2.791 20 5 GFBDRN NC(=O)CSc1nnc(Sc2nc3ccccc3cc2[N+](=O)[O-])s1 ZINC000473521225 564249190 /nfs/dbraw/zinc/24/91/90/564249190.db2.gz JBIYOWWDLGQIDY-UHFFFAOYSA-N 0 0 379.448 2.723 20 5 GFBDRN COc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc(OC)c1Br ZINC000540492791 564249463 /nfs/dbraw/zinc/24/94/63/564249463.db2.gz YLCQAKTZHBTEMF-UHFFFAOYSA-N 0 0 397.185 2.612 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CSc2ccccc2O1 ZINC000564903510 564255358 /nfs/dbraw/zinc/25/53/58/564255358.db2.gz SHTBJHXNIILFKZ-LBPRGKRZSA-N 0 0 380.447 2.964 20 5 GFBDRN Cn1ccnc1[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450952514 564256006 /nfs/dbraw/zinc/25/60/06/564256006.db2.gz UJOQJQBISQYPEF-JQWIXIFHSA-N 0 0 382.218 2.818 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1Br ZINC000473971683 564260531 /nfs/dbraw/zinc/26/05/31/564260531.db2.gz OLDLFNBPUZCXGG-UHFFFAOYSA-N 0 0 394.229 2.891 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@]2(CCSC2)C1 ZINC000565009093 564262105 /nfs/dbraw/zinc/26/21/05/564262105.db2.gz DZFKKZCBHQQUHH-AWEZNQCLSA-N 0 0 387.255 2.705 20 5 GFBDRN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)CC1CC1 ZINC000565136612 564267402 /nfs/dbraw/zinc/26/74/02/564267402.db2.gz OMJNURMKQBHDEB-LLVKDONJSA-N 0 0 399.241 2.985 20 5 GFBDRN CC(=O)Nc1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000474207144 564269835 /nfs/dbraw/zinc/26/98/35/564269835.db2.gz IHQWJNBSSSYICZ-UHFFFAOYSA-N 0 0 379.170 2.963 20 5 GFBDRN CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301515 564273500 /nfs/dbraw/zinc/27/35/00/564273500.db2.gz CXDPKTSMPWBRHH-CQSZACIVSA-N 0 0 381.479 2.551 20 5 GFBDRN CCOC(=O)[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000541311083 564274380 /nfs/dbraw/zinc/27/43/80/564274380.db2.gz HLAOEGPQWMBXCI-SNVBAGLBSA-N 0 0 378.472 2.693 20 5 GFBDRN O=c1c(Br)cn(Cc2cc3c(c(Cl)c2)OCO3)cc1[N+](=O)[O-] ZINC000565867862 564300001 /nfs/dbraw/zinc/30/00/01/564300001.db2.gz HRPHZLLJGPVTTJ-UHFFFAOYSA-N 0 0 387.573 2.949 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1Cl ZINC000542280196 564308520 /nfs/dbraw/zinc/30/85/20/564308520.db2.gz RWHSHEUINPHKFD-ZDUSSCGKSA-N 0 0 386.191 2.884 20 5 GFBDRN Cc1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475448140 564308610 /nfs/dbraw/zinc/30/86/10/564308610.db2.gz VEFCYLHGUGBGTM-OAHLLOKOSA-N 0 0 378.226 2.982 20 5 GFBDRN CCCCN(C(=O)CSc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000509711324 564309875 /nfs/dbraw/zinc/30/98/75/564309875.db2.gz HRGAKEQUNHHJSY-AWEZNQCLSA-N 0 0 386.495 2.503 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](N3CCCC3=O)C2)ncc1[N+](=O)[O-] ZINC000542508541 564316278 /nfs/dbraw/zinc/31/62/78/564316278.db2.gz GMOFXFZHGYFLAP-LLVKDONJSA-N 0 0 383.246 2.652 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691777 564321922 /nfs/dbraw/zinc/32/19/22/564321922.db2.gz USMKSXZKDKMIQN-LBPRGKRZSA-N 0 0 392.767 2.538 20 5 GFBDRN CCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542743311 564323932 /nfs/dbraw/zinc/32/39/32/564323932.db2.gz ZIMMRXXFLUTOMO-UHFFFAOYSA-N 0 0 392.861 2.991 20 5 GFBDRN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000510662597 564343382 /nfs/dbraw/zinc/34/33/82/564343382.db2.gz DCHYBCNGRWTQQE-UHFFFAOYSA-N 0 0 380.407 2.701 20 5 GFBDRN COC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000451806763 564354372 /nfs/dbraw/zinc/35/43/72/564354372.db2.gz FQYWLWSUXICBNC-ZDUSSCGKSA-N 0 0 384.841 2.957 20 5 GFBDRN CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815918 564355503 /nfs/dbraw/zinc/35/55/03/564355503.db2.gz INFGVWROPLLPSS-FZMZJTMJSA-N 0 0 376.862 2.978 20 5 GFBDRN Cc1csc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)n1 ZINC000543609695 564355531 /nfs/dbraw/zinc/35/55/31/564355531.db2.gz QTBWUERGHSCAQD-JTQLQIEISA-N 0 0 381.479 2.978 20 5 GFBDRN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1[NH+]1CCCC1 ZINC000567169249 564360490 /nfs/dbraw/zinc/36/04/90/564360490.db2.gz KOOMFCFNTJTVFO-KGLIPLIRSA-N 0 0 385.873 2.606 20 5 GFBDRN CC(C)(NC(=O)NCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000511232897 564362934 /nfs/dbraw/zinc/36/29/34/564362934.db2.gz WXGRXMZQTWFRBX-UHFFFAOYSA-N 0 0 396.245 2.788 20 5 GFBDRN Cn1c(C(=O)N[C@@H](CCO)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000543838342 564366123 /nfs/dbraw/zinc/36/61/23/564366123.db2.gz MWALCPKXRKJTAZ-LBPRGKRZSA-N 0 0 382.214 2.549 20 5 GFBDRN O=C(NCC1(c2ccccc2Br)CCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000567338762 564366803 /nfs/dbraw/zinc/36/68/03/564366803.db2.gz XRGRFYITBZRPAA-UHFFFAOYSA-N 0 0 379.214 2.932 20 5 GFBDRN Cc1c(Br)c(=O)n(CCCNC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000544078482 564373139 /nfs/dbraw/zinc/37/31/39/564373139.db2.gz SAVNMDCRWQSFEJ-UHFFFAOYSA-N 0 0 386.246 2.524 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000451964087 564373204 /nfs/dbraw/zinc/37/32/04/564373204.db2.gz JHYHVHMGJUQNFY-HIFRSBDPSA-N 0 0 382.463 2.996 20 5 GFBDRN Cc1c(Br)c(=O)n(CCc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000544078023 564373281 /nfs/dbraw/zinc/37/32/81/564373281.db2.gz VLAIFSNDNFNNSR-UHFFFAOYSA-N 0 0 391.225 2.957 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000451964088 564373372 /nfs/dbraw/zinc/37/33/72/564373372.db2.gz JHYHVHMGJUQNFY-ZFWWWQNUSA-N 0 0 382.463 2.996 20 5 GFBDRN C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512446 564375171 /nfs/dbraw/zinc/37/51/71/564375171.db2.gz UQIXJHOMAVVHGK-GXTWGEPZSA-N 0 0 381.479 2.598 20 5 GFBDRN C[C@H](CN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1nccs1 ZINC000544122340 564376112 /nfs/dbraw/zinc/37/61/12/564376112.db2.gz VGOCRXBQSMFBHZ-LLVKDONJSA-N 0 0 384.483 2.542 20 5 GFBDRN COc1ncc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Br ZINC000567582587 564378714 /nfs/dbraw/zinc/37/87/14/564378714.db2.gz QJTXWSVMECNSCL-UHFFFAOYSA-N 0 0 392.209 2.959 20 5 GFBDRN CC[C@H](C)N(CC(=O)OC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000544612374 564390442 /nfs/dbraw/zinc/39/04/42/564390442.db2.gz XYMSANSXSRHNHN-QMMMGPOBSA-N 0 0 399.252 2.864 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000512324924 564398026 /nfs/dbraw/zinc/39/80/26/564398026.db2.gz SNXVMRKGBQXAIK-VIFPVBQESA-N 0 0 379.214 2.850 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000568142491 564406260 /nfs/dbraw/zinc/40/62/60/564406260.db2.gz QKVTYLVBOLEZLQ-KBPBESRZSA-N 0 0 388.205 2.953 20 5 GFBDRN CN(Cc1nc(Cn2cc(Br)cn2)no1)c1ccccc1[N+](=O)[O-] ZINC000545012267 564406818 /nfs/dbraw/zinc/40/68/18/564406818.db2.gz CDNRBYHQVVAKBR-UHFFFAOYSA-N 0 0 393.201 2.622 20 5 GFBDRN Nc1nccnc1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568341230 564415090 /nfs/dbraw/zinc/41/50/90/564415090.db2.gz WXYYRVDKIOXKAA-UHFFFAOYSA-N 0 0 388.190 2.864 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000478885146 564417412 /nfs/dbraw/zinc/41/74/12/564417412.db2.gz QYKITLXGNOIBHD-GXSJLCMTSA-N 0 0 382.360 2.955 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000478890946 564417856 /nfs/dbraw/zinc/41/78/56/564417856.db2.gz VZZYIYQUYXNIEC-KOLCDFICSA-N 0 0 382.360 2.955 20 5 GFBDRN CCN(C)C(=O)[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000452545428 564419590 /nfs/dbraw/zinc/41/95/90/564419590.db2.gz SHTKSMAWDVAYPU-ZDUSSCGKSA-N 0 0 386.246 2.590 20 5 GFBDRN CN1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1=O ZINC000545741895 564431446 /nfs/dbraw/zinc/43/14/46/564431446.db2.gz GAAUSXXMMTYODI-SNVBAGLBSA-N 0 0 395.213 2.667 20 5 GFBDRN C[C@@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC(=O)N1 ZINC000545736546 564431569 /nfs/dbraw/zinc/43/15/69/564431569.db2.gz PKGKFDKLZQOMTD-PSASIEDQSA-N 0 0 395.213 2.713 20 5 GFBDRN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452943726 564438934 /nfs/dbraw/zinc/43/89/34/564438934.db2.gz RJLWGIYSQVMCJR-UKRRQHHQSA-N 0 0 383.242 2.884 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000568887047 564439840 /nfs/dbraw/zinc/43/98/40/564439840.db2.gz VQZKYSLDKCFFHI-AWEZNQCLSA-N 0 0 387.255 2.705 20 5 GFBDRN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000479585373 564444276 /nfs/dbraw/zinc/44/42/76/564444276.db2.gz AZARPFYOLCOOPW-QMTHXVAHSA-N 0 0 399.241 2.700 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000546174482 564447850 /nfs/dbraw/zinc/44/78/50/564447850.db2.gz WKSQSFDBPJRMMP-SWLSCSKDSA-N 0 0 390.889 2.974 20 5 GFBDRN CS(=O)(=O)c1cc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)ccn1 ZINC000546389966 564454061 /nfs/dbraw/zinc/45/40/61/564454061.db2.gz WXHTZESDBXDZRA-UHFFFAOYSA-N 0 0 380.769 2.764 20 5 GFBDRN CCCN(CC1CC1)S(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479975022 564456276 /nfs/dbraw/zinc/45/62/76/564456276.db2.gz AHKLGQCUYVSFOD-UHFFFAOYSA-N 0 0 375.878 2.747 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000480051701 564459826 /nfs/dbraw/zinc/45/98/26/564459826.db2.gz SALLXJDFBMBFRH-UHFFFAOYSA-N 0 0 382.825 2.799 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(I)c[nH]3)n2)nc1 ZINC000547192377 564479476 /nfs/dbraw/zinc/47/94/76/564479476.db2.gz SJFIPAYFOYUQBH-UHFFFAOYSA-N 0 0 397.132 2.563 20 5 GFBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000547349458 564485987 /nfs/dbraw/zinc/48/59/87/564485987.db2.gz RGZBRFZCTYCTFQ-JTQLQIEISA-N 0 0 380.754 2.684 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2c(F)cccc2OC(F)F)c1 ZINC000480958307 564497299 /nfs/dbraw/zinc/49/72/99/564497299.db2.gz GZSINOMBHXHKQH-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN COc1ccncc1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000570354021 564501553 /nfs/dbraw/zinc/50/15/53/564501553.db2.gz GKOXGYJVLASJFQ-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN O=C(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000483119583 564559279 /nfs/dbraw/zinc/55/92/79/564559279.db2.gz KFUMKAVFMGURFE-ZDUSSCGKSA-N 0 0 397.200 2.830 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCCOc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000518870815 564563828 /nfs/dbraw/zinc/56/38/28/564563828.db2.gz WLGOUNATIIDFQA-UHFFFAOYSA-N 0 0 397.229 2.842 20 5 GFBDRN C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548697152 564571043 /nfs/dbraw/zinc/57/10/43/564571043.db2.gz LWACDUQIROECSV-SECBINFHSA-N 0 0 382.269 2.664 20 5 GFBDRN COc1c(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000483961988 564579106 /nfs/dbraw/zinc/57/91/06/564579106.db2.gz PZGCEHGUBOUJSZ-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CC(C)(C(=O)NCCc1ccccc1Br)n1cc([N+](=O)[O-])cn1 ZINC000549107548 564585880 /nfs/dbraw/zinc/58/58/80/564585880.db2.gz ODWQYFAAFFDNRA-UHFFFAOYSA-N 0 0 381.230 2.648 20 5 GFBDRN CCc1oncc1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000549336081 564591981 /nfs/dbraw/zinc/59/19/81/564591981.db2.gz YJVMAZKVFQZQPI-UHFFFAOYSA-N 0 0 397.185 2.793 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000549511936 564596062 /nfs/dbraw/zinc/59/60/62/564596062.db2.gz BYYJAARXKDTFCG-ZDUSSCGKSA-N 0 0 382.360 2.715 20 5 GFBDRN Cc1cc(Cl)cnc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000485086091 564606633 /nfs/dbraw/zinc/60/66/33/564606633.db2.gz MSKAZXPVSFQLPZ-UHFFFAOYSA-N 0 0 380.813 2.781 20 5 GFBDRN NS(=O)(=O)c1ccc(NCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000521149244 564620703 /nfs/dbraw/zinc/62/07/03/564620703.db2.gz HFCGGTFGEYITQG-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN CCCCOCCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521287848 564623320 /nfs/dbraw/zinc/62/33/20/564623320.db2.gz CDLMGKBTQLTMES-UHFFFAOYSA-N 0 0 395.275 2.842 20 5 GFBDRN CC(C)C(=O)NCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000521580770 564630078 /nfs/dbraw/zinc/63/00/78/564630078.db2.gz AUKLRUWAOJSUBX-UHFFFAOYSA-N 0 0 381.230 2.512 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000522038836 564642537 /nfs/dbraw/zinc/64/25/37/564642537.db2.gz SUIUIYFBHZYXNE-SNVBAGLBSA-N 0 0 379.214 2.694 20 5 GFBDRN CCN1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000486460545 564653305 /nfs/dbraw/zinc/65/33/05/564653305.db2.gz XMBAFTJIYRVFBK-DTWKUNHWSA-N 0 0 376.276 2.974 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457329138 564656754 /nfs/dbraw/zinc/65/67/54/564656754.db2.gz NTSZXBZXDXOPAN-GFCCVEGCSA-N 0 0 393.197 2.830 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486644816 564661190 /nfs/dbraw/zinc/66/11/90/564661190.db2.gz JCCOOBKFLLXCHE-HNNXBMFYSA-N 0 0 375.878 2.517 20 5 GFBDRN CNc1c(C(=O)N[C@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000486670159 564661955 /nfs/dbraw/zinc/66/19/55/564661955.db2.gz JBDKFFBVDIDHOS-MRVPVSSYSA-N 0 0 380.202 2.680 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000523685098 564671175 /nfs/dbraw/zinc/67/11/75/564671175.db2.gz VZOANMJNQGBPKH-LBPRGKRZSA-N 0 0 395.213 2.603 20 5 GFBDRN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000574500132 564676437 /nfs/dbraw/zinc/67/64/37/564676437.db2.gz JOCAKKZHWYOEQA-UHFFFAOYSA-N 0 0 380.202 2.612 20 5 GFBDRN Nc1nc(N(Cc2cc(Br)ccc2F)C2CC2)ncc1[N+](=O)[O-] ZINC000524411173 564681334 /nfs/dbraw/zinc/68/13/34/564681334.db2.gz PFFQMRXLIUSMAO-UHFFFAOYSA-N 0 0 382.193 2.868 20 5 GFBDRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000487431549 564688223 /nfs/dbraw/zinc/68/82/23/564688223.db2.gz QWOLZZUGVWEINS-LBPRGKRZSA-N 0 0 393.241 2.917 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552395055 564690094 /nfs/dbraw/zinc/69/00/94/564690094.db2.gz UQYWUASAUBNTRN-ISVAXAHUSA-N 0 0 383.202 2.586 20 5 GFBDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000488182829 564706685 /nfs/dbraw/zinc/70/66/85/564706685.db2.gz MRRQJRNRQRVMQD-CPJLOUKISA-N 0 0 382.873 2.770 20 5 GFBDRN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000553065260 564707831 /nfs/dbraw/zinc/70/78/31/564707831.db2.gz FZQPFLVUBSPTHO-FKQJSCTKSA-N 0 0 388.873 2.774 20 5 GFBDRN CSc1nnc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000525846716 564709973 /nfs/dbraw/zinc/70/99/73/564709973.db2.gz GPSGTIOVTUGDHS-UHFFFAOYSA-N 0 0 389.256 2.861 20 5 GFBDRN Cc1c(Br)c(NCCCNC(=O)c2ccccc2)ncc1[N+](=O)[O-] ZINC000525958288 564713880 /nfs/dbraw/zinc/71/38/80/564713880.db2.gz YAOGAXXJXIZZQQ-UHFFFAOYSA-N 0 0 393.241 2.715 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCC1(O)CCOCC1 ZINC000553262434 564714996 /nfs/dbraw/zinc/71/49/96/564714996.db2.gz VUMUNNMKYIXBEQ-UHFFFAOYSA-N 0 0 396.241 2.671 20 5 GFBDRN NC(=O)c1ccc(C(F)(F)F)n(Cc2c(Cl)cccc2[N+](=O)[O-])c1=O ZINC000488753357 564719243 /nfs/dbraw/zinc/71/92/43/564719243.db2.gz QWHHTYUPEJUCRN-UHFFFAOYSA-N 0 0 375.690 2.576 20 5 GFBDRN Cc1nccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1Br ZINC000526100707 564721045 /nfs/dbraw/zinc/72/10/45/564721045.db2.gz WRBXWEOIBGDEDI-UHFFFAOYSA-N 0 0 394.181 2.506 20 5 GFBDRN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488947275 564724032 /nfs/dbraw/zinc/72/40/32/564724032.db2.gz STHSMZGEJMDKKY-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN CCc1n[nH]c(C(=O)N(C)CCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000553580214 564728415 /nfs/dbraw/zinc/72/84/15/564728415.db2.gz IXGLNYDJGXTPOL-UHFFFAOYSA-N 0 0 397.229 2.794 20 5 GFBDRN Cc1c(Br)c(N2CC[C@@H](C(=O)N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000553688904 564732404 /nfs/dbraw/zinc/73/24/04/564732404.db2.gz SRHLVPPUWHWSJR-LLVKDONJSA-N 0 0 383.246 2.509 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1(CO)CCSCC1 ZINC000459560715 564750594 /nfs/dbraw/zinc/75/05/94/564750594.db2.gz NHGFHXOHXOLPSR-UHFFFAOYSA-N 0 0 390.259 2.737 20 5 GFBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc2c(cc1Br)OCCO2 ZINC000489744666 564751865 /nfs/dbraw/zinc/75/18/65/564751865.db2.gz QVYZNNGNCGOVGV-MRVPVSSYSA-N 0 0 396.197 2.948 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000581085889 564787109 /nfs/dbraw/zinc/78/71/09/564787109.db2.gz NLRJOWLZRLIKAU-AWEZNQCLSA-N 0 0 392.209 2.622 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)(F)F)O1 ZINC000555404626 564791695 /nfs/dbraw/zinc/79/16/95/564791695.db2.gz ANBRNKCGMLODJG-ZDUSSCGKSA-N 0 0 382.360 2.715 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000491720023 564795310 /nfs/dbraw/zinc/79/53/10/564795310.db2.gz KVGPQQZJOWHGPI-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN C[C@@H](C(=O)Nc1cc(Br)cn(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000555737578 564803196 /nfs/dbraw/zinc/80/31/96/564803196.db2.gz RFVAPJIJWMLUFS-SECBINFHSA-N 0 0 380.198 2.798 20 5 GFBDRN C[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])C[C@H](C)S1 ZINC000581478727 564804022 /nfs/dbraw/zinc/80/40/22/564804022.db2.gz WJZNLAOTJRBQAF-OCAPTIKFSA-N 0 0 379.223 2.925 20 5 GFBDRN COc1c(S(=O)(=O)NC2CC(C)C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493896166 564813251 /nfs/dbraw/zinc/81/32/51/564813251.db2.gz DJORKMKRWUCQJD-UHFFFAOYSA-N 0 0 393.259 2.751 20 5 GFBDRN CSc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(SC)n1 ZINC000581835130 564819865 /nfs/dbraw/zinc/81/98/65/564819865.db2.gz NGTCSJXSZAQQQS-UHFFFAOYSA-N 0 0 378.483 2.550 20 5 GFBDRN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292442 564831676 /nfs/dbraw/zinc/83/16/76/564831676.db2.gz CTCSACNJLOTSKT-SECBINFHSA-N 0 0 384.285 2.910 20 5 GFBDRN CC[C@@]1(CO)CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582269390 564837745 /nfs/dbraw/zinc/83/77/45/564837745.db2.gz DBKAKUYGBMNGGX-AWEZNQCLSA-N 0 0 390.221 2.936 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCc1ccccn1 ZINC000462475252 564843011 /nfs/dbraw/zinc/84/30/11/564843011.db2.gz PHHWQIASFIAPPK-UHFFFAOYSA-N 0 0 376.221 2.818 20 5 GFBDRN O=C(Nc1cnccc1-n1ccnn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000582385127 564843903 /nfs/dbraw/zinc/84/39/03/564843903.db2.gz OUNAZWMGFDNLAR-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN(CC2CC2)CC1 ZINC000462535596 564846538 /nfs/dbraw/zinc/84/65/38/564846538.db2.gz INYXQTICSJRZFU-UHFFFAOYSA-N 0 0 394.280 2.618 20 5 GFBDRN CSC[C@H](CCO)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495225193 564851776 /nfs/dbraw/zinc/85/17/76/564851776.db2.gz OLWZAPKSFGQBNN-NSHDSACASA-N 0 0 381.376 2.527 20 5 GFBDRN COCCCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Br)cn1 ZINC000557061736 564852590 /nfs/dbraw/zinc/85/25/90/564852590.db2.gz JZIILUIWWZVVFB-UHFFFAOYSA-N 0 0 397.229 2.774 20 5 GFBDRN CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000462688894 564854809 /nfs/dbraw/zinc/85/48/09/564854809.db2.gz FMWCBLQPYVPWNC-SNVBAGLBSA-N 0 0 378.472 2.835 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(Br)s1 ZINC000462699926 564855630 /nfs/dbraw/zinc/85/56/30/564855630.db2.gz MDPYIDKWODAJIZ-UHFFFAOYSA-N 0 0 391.268 2.940 20 5 GFBDRN CN(CCc1cccc(Br)c1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000462832193 564859872 /nfs/dbraw/zinc/85/98/72/564859872.db2.gz HTNPRRQDHROGKF-UHFFFAOYSA-N 0 0 380.198 2.773 20 5 GFBDRN CS(=O)(=O)c1cccc(NCc2cn3cc(Cl)ccc3n2)c1[N+](=O)[O-] ZINC000497558351 564870882 /nfs/dbraw/zinc/87/08/82/564870882.db2.gz OKANIMLWRKJUEY-UHFFFAOYSA-N 0 0 380.813 2.912 20 5 GFBDRN CCc1n[nH]c(C(=O)NCc2cc(Br)cc3c2OCC3)c1[N+](=O)[O-] ZINC000463174220 564872035 /nfs/dbraw/zinc/87/20/35/564872035.db2.gz VWVVXLYLFLZKBT-UHFFFAOYSA-N 0 0 395.213 2.508 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(c2ccccc2Br)CCC1 ZINC000557730045 564874205 /nfs/dbraw/zinc/87/42/05/564874205.db2.gz WXSGFOHFZBTOPZ-UHFFFAOYSA-N 0 0 393.241 2.792 20 5 GFBDRN Cc1sc(=O)n(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000498150595 564889690 /nfs/dbraw/zinc/88/96/90/564889690.db2.gz XVFZCLZNSSSVMO-HNNXBMFYSA-N 0 0 379.463 2.709 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000583463729 564892942 /nfs/dbraw/zinc/89/29/42/564892942.db2.gz OCRMRYZGGJNKPS-UHFFFAOYSA-N 0 0 387.621 2.979 20 5 GFBDRN Cc1sc2[nH]c([C@H](C)Sc3ncc([N+](=O)[O-])c(N)n3)nc(=O)c2c1C ZINC000583704808 564904472 /nfs/dbraw/zinc/90/44/72/564904472.db2.gz RRYQWXXMEQFKRB-ZETCQYMHSA-N 0 0 378.439 2.978 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Br)cc1Cl ZINC000583774315 564907043 /nfs/dbraw/zinc/90/70/43/564907043.db2.gz IXXQUTDLNNLYCH-UHFFFAOYSA-N 0 0 387.621 2.717 20 5 GFBDRN Cn1cc(C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000531425778 564909344 /nfs/dbraw/zinc/90/93/44/564909344.db2.gz XDXNXJGJZQFXPC-LLVKDONJSA-N 0 0 393.241 2.796 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Oc1cccc(Br)c1 ZINC000464688662 564915612 /nfs/dbraw/zinc/91/56/12/564915612.db2.gz RIORHXWBUHUIIT-JTQLQIEISA-N 0 0 382.214 2.893 20 5 GFBDRN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584081611 564920076 /nfs/dbraw/zinc/92/00/76/564920076.db2.gz CFXIABZNDIWZRS-TXEJJXNPSA-N 0 0 386.189 2.895 20 5 GFBDRN O=C(c1ncsc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000584122404 564921818 /nfs/dbraw/zinc/92/18/18/564921818.db2.gz QDDIXPCKJPJCJQ-QMMMGPOBSA-N 0 0 398.242 2.535 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465313397 564926297 /nfs/dbraw/zinc/92/62/97/564926297.db2.gz BLEGZBGMPMLMGD-UHFFFAOYSA-N 0 0 377.348 2.627 20 5 GFBDRN COC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000532043846 564927857 /nfs/dbraw/zinc/92/78/57/564927857.db2.gz QRKUSSBIYJONPC-CQSZACIVSA-N 0 0 390.845 2.648 20 5 GFBDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000499868380 564938832 /nfs/dbraw/zinc/93/88/32/564938832.db2.gz IIOJTOFWBFXMHG-AAEUAGOBSA-N 0 0 383.495 2.503 20 5 GFBDRN NC(=O)c1ccc(SCC(=O)Nc2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000532749151 564943882 /nfs/dbraw/zinc/94/38/82/564943882.db2.gz WICMAGHZBHOHOH-UHFFFAOYSA-N 0 0 381.797 2.784 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1ccc(F)cc1Cl ZINC000500138047 564946284 /nfs/dbraw/zinc/94/62/84/564946284.db2.gz BOZNPJAMYKFCHM-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC1CCSCC1 ZINC000500143660 564946744 /nfs/dbraw/zinc/94/67/44/564946744.db2.gz IBVMGUZYOZFRNC-UHFFFAOYSA-N 0 0 395.300 2.779 20 5 GFBDRN O=C(CCc1nc2cc(Cl)ccc2s1)NCCn1cc([N+](=O)[O-])cn1 ZINC000532870368 564948177 /nfs/dbraw/zinc/94/81/77/564948177.db2.gz BSZNBVFRDHSSLI-UHFFFAOYSA-N 0 0 379.829 2.803 20 5 GFBDRN COc1cc(OC)cc(OCCNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000500293371 564949747 /nfs/dbraw/zinc/94/97/47/564949747.db2.gz RLPQYQBVGNZZIF-UHFFFAOYSA-N 0 0 398.213 2.682 20 5 GFBDRN CC(=O)c1cnccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000560113396 564950290 /nfs/dbraw/zinc/95/02/90/564950290.db2.gz FXXIMTPBMHHBCX-UHFFFAOYSA-N 0 0 378.182 2.938 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(CCO)CC1 ZINC000533093439 564954306 /nfs/dbraw/zinc/95/43/06/564954306.db2.gz DEDMBXWEHVSWCW-UHFFFAOYSA-N 0 0 383.253 2.685 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cccc(-c3ncc[nH]3)c2)cc1[N+](=O)[O-] ZINC000467073299 564954878 /nfs/dbraw/zinc/95/48/78/564954878.db2.gz FTGSTJWGVXAFCX-UHFFFAOYSA-N 0 0 378.435 2.833 20 5 GFBDRN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1csc([N+](=O)[O-])c1 ZINC000500540468 564956180 /nfs/dbraw/zinc/95/61/80/564956180.db2.gz JKBXVZWQKFKEHU-SECBINFHSA-N 0 0 383.788 2.984 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000500626166 564958234 /nfs/dbraw/zinc/95/82/34/564958234.db2.gz XXBCDWBMZJSNHC-SNVBAGLBSA-N 0 0 379.214 2.527 20 5 GFBDRN COC(=O)[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501082125 564970062 /nfs/dbraw/zinc/97/00/62/564970062.db2.gz HUBYTOFYGDVULU-VIFPVBQESA-N 0 0 386.202 2.774 20 5 GFBDRN CSC[C@H](CCO)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501084200 564970068 /nfs/dbraw/zinc/97/00/68/564970068.db2.gz ODPROKBOJZOHRG-VIFPVBQESA-N 0 0 378.248 2.593 20 5 GFBDRN CC(=O)N(C)C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501094347 564970106 /nfs/dbraw/zinc/97/01/06/564970106.db2.gz MIAGGRGVVQYSCL-UHFFFAOYSA-N 0 0 399.245 2.832 20 5 GFBDRN COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501098370 564970907 /nfs/dbraw/zinc/97/09/07/564970907.db2.gz HCAVCAVXGVTYBJ-WCBMZHEXSA-N 0 0 386.202 2.821 20 5 GFBDRN CCc1nn(C)cc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501104557 564970915 /nfs/dbraw/zinc/97/09/15/564970915.db2.gz GFCYQLYIDXIAQM-UHFFFAOYSA-N 0 0 382.218 2.975 20 5 GFBDRN C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000501099039 564970954 /nfs/dbraw/zinc/97/09/54/564970954.db2.gz JIVDZGYXSKKQEO-JTQLQIEISA-N 0 0 399.245 2.880 20 5 GFBDRN C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000501124506 564971746 /nfs/dbraw/zinc/97/17/46/564971746.db2.gz JCMZIDZBWICPLO-QMMMGPOBSA-N 0 0 387.234 2.782 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](CO)COC(C)C ZINC000560667558 564971812 /nfs/dbraw/zinc/97/18/12/564971812.db2.gz ARDIVCIDRYSCNK-LBPRGKRZSA-N 0 0 389.246 2.524 20 5 GFBDRN Cc1sc(C(=O)Nc2ccncc2I)cc1[N+](=O)[O-] ZINC000501269603 564975167 /nfs/dbraw/zinc/97/51/67/564975167.db2.gz FEUCPONEYALNME-UHFFFAOYSA-N 0 0 389.174 2.639 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1sccc1-n1cnnn1 ZINC000501307505 564976503 /nfs/dbraw/zinc/97/65/03/564976503.db2.gz XJCOSLFVENGRRM-UHFFFAOYSA-N 0 0 395.198 2.647 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000534399234 564987818 /nfs/dbraw/zinc/98/78/18/564987818.db2.gz GOKDMXYTBVXSJT-VIFPVBQESA-N 0 0 399.220 2.749 20 5 GFBDRN Cc1cccc2c1OC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000561402949 564993855 /nfs/dbraw/zinc/99/38/55/564993855.db2.gz OBCNUGLWSPLKLQ-LBPRGKRZSA-N 0 0 382.825 2.839 20 5 GFBDRN CS(=O)(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000469246625 565010679 /nfs/dbraw/zinc/01/06/79/565010679.db2.gz WFOGZCPZYPNMEQ-UHFFFAOYSA-N 0 0 392.405 2.951 20 5 GFBDRN CS(=O)(=O)NC[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000535990581 565026033 /nfs/dbraw/zinc/02/60/33/565026033.db2.gz CZQNRBVOBXAVGK-LLVKDONJSA-N 0 0 381.376 2.522 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCO)c1ccc(F)cc1F ZINC000536116331 565029836 /nfs/dbraw/zinc/02/98/36/565029836.db2.gz CZOSZPIUCCAWLF-UHFFFAOYSA-N 0 0 392.767 2.714 20 5 GFBDRN CC[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000562557167 565033920 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ZINC000590590360 565192943 /nfs/dbraw/zinc/19/29/43/565192943.db2.gz UYCQBHZEXNKDNV-ZDUSSCGKSA-N 0 0 387.458 2.685 20 5 GFBDRN CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000591324460 565224079 /nfs/dbraw/zinc/22/40/79/565224079.db2.gz SSEFQMPYYNUGKJ-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN CCO[C@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000591364285 565227115 /nfs/dbraw/zinc/22/71/15/565227115.db2.gz AFMOQWWJCMBXBM-VIFPVBQESA-N 0 0 377.182 2.600 20 5 GFBDRN COc1c(S(=O)(=O)N2CC=CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000617246081 565228177 /nfs/dbraw/zinc/22/81/77/565228177.db2.gz KNYDTLMONICVLV-UHFFFAOYSA-N 0 0 391.243 2.625 20 5 GFBDRN CO[C@@H](CS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000592048021 565250549 /nfs/dbraw/zinc/25/05/49/565250549.db2.gz YTKBJLPYFMDFLQ-ZDUSSCGKSA-N 0 0 384.376 2.704 20 5 GFBDRN O=C(Nc1ncc(Cl)s1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000618220190 565281378 /nfs/dbraw/zinc/28/13/78/565281378.db2.gz RPBISPLEPPJFSK-UHFFFAOYSA-N 0 0 380.769 2.610 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2sc(Br)cc2C1 ZINC000618383313 565298075 /nfs/dbraw/zinc/29/80/75/565298075.db2.gz DBWUZITYTMKGPI-UHFFFAOYSA-N 0 0 384.211 2.718 20 5 GFBDRN CCS(=O)(=O)NC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618897325 565320386 /nfs/dbraw/zinc/32/03/86/565320386.db2.gz OUQVVETXMGPNMV-UHFFFAOYSA-N 0 0 382.269 2.810 20 5 GFBDRN CCN1C[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1=O ZINC000593208826 565321043 /nfs/dbraw/zinc/32/10/43/565321043.db2.gz ZJMUOBIYNGURNZ-SNVBAGLBSA-N 0 0 399.245 2.656 20 5 GFBDRN COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593380022 565328621 /nfs/dbraw/zinc/32/86/21/565328621.db2.gz NFIHFZSXYYFMJG-UONOGXRCSA-N 0 0 397.225 2.629 20 5 GFBDRN C[C@@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000593548362 565340725 /nfs/dbraw/zinc/34/07/25/565340725.db2.gz XPNFIUWUCGULCW-BLLLJJGKSA-N 0 0 379.463 2.857 20 5 GFBDRN CC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619457769 565342489 /nfs/dbraw/zinc/34/24/89/565342489.db2.gz HWOSNMMSFJXQFL-BLLLJJGKSA-N 0 0 399.241 2.767 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1nc2ccccc2s1 ZINC000619473552 565343622 /nfs/dbraw/zinc/34/36/22/565343622.db2.gz HNMZWOOJVMZMQH-UHFFFAOYSA-N 0 0 379.419 2.692 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)nc1 ZINC000593574054 565343689 /nfs/dbraw/zinc/34/36/89/565343689.db2.gz XMMRQUDABUHNDO-ZDUSSCGKSA-N 0 0 383.813 2.835 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000619493728 565344848 /nfs/dbraw/zinc/34/48/48/565344848.db2.gz KJDPAPWKPNGJNR-SNVBAGLBSA-N 0 0 384.435 2.605 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c(F)c1 ZINC000593626685 565349404 /nfs/dbraw/zinc/34/94/04/565349404.db2.gz GNKLBCWVHRDLAJ-UHFFFAOYSA-N 0 0 386.298 2.789 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 ZINC000593643323 565351690 /nfs/dbraw/zinc/35/16/90/565351690.db2.gz UYNWNHAPEMYKNL-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@@H](COCC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593654718 565354281 /nfs/dbraw/zinc/35/42/81/565354281.db2.gz VQQWMJFJLYVVJU-VIFPVBQESA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(C2(O)CC2)CC1 ZINC000593770041 565360480 /nfs/dbraw/zinc/36/04/80/565360480.db2.gz PDAIGHIQBRSIFW-UHFFFAOYSA-N 0 0 383.242 2.663 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000619856758 565361179 /nfs/dbraw/zinc/36/11/79/565361179.db2.gz SCQRKPZAGMGULM-UHFFFAOYSA-N 0 0 379.291 2.973 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594485572 565394395 /nfs/dbraw/zinc/39/43/95/565394395.db2.gz ABACQBLBGWFDII-GWCFXTLKSA-N 0 0 382.360 2.682 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488220 565395885 /nfs/dbraw/zinc/39/58/85/565395885.db2.gz QRXSPYFVYXUVCK-MFKMUULPSA-N 0 0 382.360 2.682 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000594819747 565425095 /nfs/dbraw/zinc/42/50/95/565425095.db2.gz VXNVXUXBIWXCRX-ZDUSSCGKSA-N 0 0 382.360 2.763 20 5 GFBDRN COCCN(CCF)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594841038 565428429 /nfs/dbraw/zinc/42/84/29/565428429.db2.gz ZFNHMLYMVVRCOE-UHFFFAOYSA-N 0 0 375.205 2.508 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000594868379 565432549 /nfs/dbraw/zinc/43/25/49/565432549.db2.gz GOXUOQKJJGGBIA-ZJUUUORDSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595396742 565474094 /nfs/dbraw/zinc/47/40/94/565474094.db2.gz GGXSIDIYBXFEGX-PWSUYJOCSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415235 565475580 /nfs/dbraw/zinc/47/55/80/565475580.db2.gz KLVONCCBPHIQLS-XLKFXECMSA-N 0 0 398.815 2.990 20 5 GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@](C)(C(F)F)C1 ZINC000595914748 565498755 /nfs/dbraw/zinc/49/87/55/565498755.db2.gz FWOYVTFJVHWMHJ-BJOHPYRUSA-N 0 0 377.775 2.931 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596240164 565516707 /nfs/dbraw/zinc/51/67/07/565516707.db2.gz RXHKTKGDLJPEAW-JTQLQIEISA-N 0 0 377.260 2.618 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](CSC)C1 ZINC000596241038 565516866 /nfs/dbraw/zinc/51/68/66/565516866.db2.gz ADHJFURHHYUVIP-ZDUSSCGKSA-N 0 0 387.527 2.863 20 5 GFBDRN COC(=O)[C@@H]1CSCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596279484 565518194 /nfs/dbraw/zinc/51/81/94/565518194.db2.gz QUJILTHTMLURIO-VIFPVBQESA-N 0 0 375.244 2.700 20 5 GFBDRN CSc1cccc(-c2nc(CC3(CS(C)(=O)=O)CC3)no2)c1[N+](=O)[O-] ZINC000596612418 565529707 /nfs/dbraw/zinc/52/97/07/565529707.db2.gz RZLFPBIINYCJJA-UHFFFAOYSA-N 0 0 383.451 2.734 20 5 GFBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2ncns2)CC1 ZINC000597726999 565573074 /nfs/dbraw/zinc/57/30/74/565573074.db2.gz YVURYQGITKZNSP-UHFFFAOYSA-N 0 0 375.435 2.623 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598139440 565595528 /nfs/dbraw/zinc/59/55/28/565595528.db2.gz LVYBPPNVYREHJK-NSHDSACASA-N 0 0 379.157 2.820 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000598191389 565600974 /nfs/dbraw/zinc/60/09/74/565600974.db2.gz QIYMONMKPVRYJX-LBPRGKRZSA-N 0 0 387.223 2.599 20 5 GFBDRN CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2cc(Br)ccc21 ZINC000598234975 565604747 /nfs/dbraw/zinc/60/47/47/565604747.db2.gz YULHRWVTUVBKPE-UHFFFAOYSA-N 0 0 379.214 2.878 20 5 GFBDRN O=C(N=c1ccn(C2CCOCC2)[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598235695 565604804 /nfs/dbraw/zinc/60/48/04/565604804.db2.gz GEQBLUCJZAETLE-UHFFFAOYSA-N 0 0 395.213 2.580 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000598289608 565607394 /nfs/dbraw/zinc/60/73/94/565607394.db2.gz YXJGFQXCBVAJAL-UHFFFAOYSA-N 0 0 383.242 2.947 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598618106 565629795 /nfs/dbraw/zinc/62/97/95/565629795.db2.gz LJAIMRJQAVRPNG-NSHDSACASA-N 0 0 382.360 2.554 20 5 GFBDRN C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599117670 565656867 /nfs/dbraw/zinc/65/68/67/565656867.db2.gz LZPYONADOYBXMC-PHIMTYICSA-N 0 0 377.413 2.573 20 5 GFBDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599508194 565686987 /nfs/dbraw/zinc/68/69/87/565686987.db2.gz QBTKMIXMZQPNND-GHMZBOCLSA-N 0 0 398.257 2.734 20 5 GFBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)cn1 ZINC000599620492 565693428 /nfs/dbraw/zinc/69/34/28/565693428.db2.gz UROBWUZODUNDPQ-NSHDSACASA-N 0 0 393.241 2.796 20 5 GFBDRN O=C(N=c1cc(C2CCOCC2)[nH][nH]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599609883 565694192 /nfs/dbraw/zinc/69/41/92/565694192.db2.gz CNOVMLAJEBMZFH-UHFFFAOYSA-N 0 0 395.213 2.649 20 5 GFBDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599695518 565696352 /nfs/dbraw/zinc/69/63/52/565696352.db2.gz DYWXQFWIZQDRJD-NSHDSACASA-N 0 0 399.241 2.815 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCS[C@@H]2COCC[C@H]21 ZINC000599701735 565697405 /nfs/dbraw/zinc/69/74/05/565697405.db2.gz ZKMPEBBLMXKDEX-ZYHUDNBSSA-N 0 0 387.255 2.704 20 5 GFBDRN Cc1oc(S(C)(=O)=O)cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599739385 565698226 /nfs/dbraw/zinc/69/82/26/565698226.db2.gz JPAFLCOPRNTDJC-UHFFFAOYSA-N 0 0 386.813 2.526 20 5 GFBDRN Cc1ccc(CN(CCO)C(=O)c2c(Br)cccc2[N+](=O)[O-])o1 ZINC000599861989 565704925 /nfs/dbraw/zinc/70/49/25/565704925.db2.gz XJDLBFMHIAFKSH-UHFFFAOYSA-N 0 0 383.198 2.893 20 5 GFBDRN CCC(F)(F)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000600043775 565712095 /nfs/dbraw/zinc/71/20/95/565712095.db2.gz QIAHXFRXWBLKML-UHFFFAOYSA-N 0 0 394.172 2.766 20 5 GFBDRN CC(C)(C)CNC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000600530325 565736578 /nfs/dbraw/zinc/73/65/78/565736578.db2.gz CJUOLTGFBYWICJ-UHFFFAOYSA-N 0 0 392.193 2.741 20 5 GFBDRN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCSCC(F)(F)F)C1=O ZINC000600697465 565746071 /nfs/dbraw/zinc/74/60/71/565746071.db2.gz VLFDTEJDJPAFIM-CYBMUJFWSA-N 0 0 377.344 2.657 20 5 GFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1c(Br)cnn1C ZINC000600942053 565760551 /nfs/dbraw/zinc/76/05/51/565760551.db2.gz RWUHKPFKUALJJF-SECBINFHSA-N 0 0 388.243 2.767 20 5 GFBDRN CCCn1nccc1NC(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000601081302 565765817 /nfs/dbraw/zinc/76/58/17/565765817.db2.gz UXQGWSQARZKNQB-UHFFFAOYSA-N 0 0 383.202 2.981 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601335671 565777345 /nfs/dbraw/zinc/77/73/45/565777345.db2.gz PUJZLKHDPDNGSM-UHFFFAOYSA-N 0 0 398.388 2.544 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])s1 ZINC000601364202 565777763 /nfs/dbraw/zinc/77/77/63/565777763.db2.gz FCAMTVBIQAQYMC-HSZRJFAPSA-N 0 0 388.492 2.523 20 5 GFBDRN CCn1nc(C)c(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000601480629 565786934 /nfs/dbraw/zinc/78/69/34/565786934.db2.gz GLGNPTFFNUCGRN-UHFFFAOYSA-N 0 0 386.861 2.902 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601798368 565804230 /nfs/dbraw/zinc/80/42/30/565804230.db2.gz HALGNKMJODJODF-RNCFNFMXSA-N 0 0 378.759 2.898 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H](C(F)F)CC1 ZINC000601805421 565804515 /nfs/dbraw/zinc/80/45/15/565804515.db2.gz XFVYRNVLQCLXAQ-LLVKDONJSA-N 0 0 379.157 2.854 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](n2ccnn2)CC1 ZINC000602182006 565828831 /nfs/dbraw/zinc/82/88/31/565828831.db2.gz LTLTXILKLNGRTG-GFCCVEGCSA-N 0 0 394.229 2.816 20 5 GFBDRN CC(=O)NC1CCC(N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602309705 565838226 /nfs/dbraw/zinc/83/82/26/565838226.db2.gz WQAUAKVBNPKEJV-UHFFFAOYSA-N 0 0 398.257 2.877 20 5 GFBDRN C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@]2(CCOC2)O1 ZINC000602646425 565859915 /nfs/dbraw/zinc/85/99/15/565859915.db2.gz XTKKRAJKVIIDKP-NOZJJQNGSA-N 0 0 377.260 2.799 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCOC[C@H]2[C@@H]2CCCO2)cc1Br ZINC000602660609 565861058 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GFBDRN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463781230 599139516 /nfs/dbraw/zinc/13/95/16/599139516.db2.gz GIACHRPUMAMBMT-UHFFFAOYSA-N 0 0 392.297 2.724 20 5 GFBDRN COc1ccc(C=C2C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc1-c1nn[nH]n1 ZINC000737083421 599155621 /nfs/dbraw/zinc/15/56/21/599155621.db2.gz OCQPPDJOYYGMMS-ONNFQVAWSA-N 0 0 398.766 2.930 20 5 GFBDRN Cc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cccc1-c1nn[nH]n1 ZINC000822075754 607269082 /nfs/dbraw/zinc/26/90/82/607269082.db2.gz IOXUPFJKTBLLKU-UHFFFAOYSA-N 0 0 377.364 2.677 20 5 GFBDRN COc1ccc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737096810 599253416 /nfs/dbraw/zinc/25/34/16/599253416.db2.gz ZECWSXPOQMXVSX-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3F)cc(-c3nn[nH]n3)c2c1 ZINC000738367214 599256149 /nfs/dbraw/zinc/25/61/49/599256149.db2.gz NUKKYUPCHYKRNN-UHFFFAOYSA-N 0 0 395.354 2.953 20 5 GFBDRN C[C@@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820307353 607329412 /nfs/dbraw/zinc/32/94/12/607329412.db2.gz LTCIBGJNSANMEA-VIFPVBQESA-N 0 0 382.409 2.823 20 5 GFBDRN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000736170032 598272499 /nfs/dbraw/zinc/27/24/99/598272499.db2.gz QRPSGNFRKAXOJM-NWDGAFQWSA-N 0 0 383.364 2.847 20 5 GFBDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000735662306 598279530 /nfs/dbraw/zinc/27/95/30/598279530.db2.gz UTJKMNXZLWIAAT-UHFFFAOYSA-N 0 0 384.400 2.653 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000736742178 598281942 /nfs/dbraw/zinc/28/19/42/598281942.db2.gz MXFWGRNONBIPLC-UHFFFAOYSA-N 0 0 376.735 2.844 20 5 GFBDRN CCc1nc2ccccc2n1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736705338 598668961 /nfs/dbraw/zinc/66/89/61/598668961.db2.gz HVKILZSUGVIJHD-UHFFFAOYSA-N 0 0 378.396 2.799 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737948561 598706597 /nfs/dbraw/zinc/70/65/97/598706597.db2.gz 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O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737933262 599546709 /nfs/dbraw/zinc/54/67/09/599546709.db2.gz WAANFCLYXMHTKM-UHFFFAOYSA-N 0 0 396.432 2.597 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000826251604 607402694 /nfs/dbraw/zinc/40/26/94/607402694.db2.gz VFEAAKJLPJFGFS-CABCVRRESA-N 0 0 397.395 2.621 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000821745118 607420263 /nfs/dbraw/zinc/42/02/63/607420263.db2.gz FLWVIKCSVYYDOZ-UHFFFAOYSA-N 0 0 387.327 2.588 20 5 GFBDRN Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000738292971 600391270 /nfs/dbraw/zinc/39/12/70/600391270.db2.gz SEDJYRKHKJNDRL-UHFFFAOYSA-N 0 0 387.392 2.794 20 5 GFBDRN C[C@H](C(=O)[O-])[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000826054329 601657593 /nfs/dbraw/zinc/65/75/93/601657593.db2.gz MCGUMKXURSCLEJ-SCLBCKFNSA-N 0 0 399.403 2.944 20 5 GFBDRN O=C(COc1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826418218 607523558 /nfs/dbraw/zinc/52/35/58/607523558.db2.gz VXIPJOKHDDQFCT-UHFFFAOYSA-N 0 0 392.734 2.585 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000832957250 601741027 /nfs/dbraw/zinc/74/10/27/601741027.db2.gz GXXGUQFTQDRPBC-OAQYLSRUSA-N 0 0 397.431 2.752 20 5 GFBDRN CC(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000826687931 602250017 /nfs/dbraw/zinc/25/00/17/602250017.db2.gz SOUKACPPOUNVMO-INIZCTEOSA-N 0 0 384.864 2.630 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000826267829 607618775 /nfs/dbraw/zinc/61/87/75/607618775.db2.gz YIMNNWBKGWZLJQ-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000834179234 605327844 /nfs/dbraw/zinc/32/78/44/605327844.db2.gz GWDNSLNHBFBWFO-JCGIZDLHSA-N 0 0 385.424 2.784 20 5 GFBDRN Cc1cc(N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)ncc1[N+](=O)[O-] ZINC000822206849 606035249 /nfs/dbraw/zinc/03/52/49/606035249.db2.gz BEMJEVGQXXIMAR-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN CC[C@@](C)(CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1OCCO1 ZINC000820854255 606056326 /nfs/dbraw/zinc/05/63/26/606056326.db2.gz RZEYQZRHZSLECS-KRWDZBQOSA-N 0 0 376.417 2.756 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000822194958 606243704 /nfs/dbraw/zinc/24/37/04/606243704.db2.gz BNENYGZEOTUBNZ-LBPRGKRZSA-N 0 0 399.436 2.671 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCc3cc(-c4ccccc4)oc3C2)c(-c2nn[nH]n2)c1 ZINC000823650924 606423222 /nfs/dbraw/zinc/42/32/22/606423222.db2.gz DMRYGKOVUXTGCG-UHFFFAOYSA-N 0 0 389.375 2.993 20 5 GFBDRN Cc1ccc([C@H](C)NC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822229254 606440898 /nfs/dbraw/zinc/44/08/98/606440898.db2.gz QCHOCTGJQDWLSU-LBPRGKRZSA-N 0 0 381.396 2.644 20 5 GFBDRN CC(C)[C@@H]1OCC[C@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044353 606472080 /nfs/dbraw/zinc/47/20/80/606472080.db2.gz GCVXEYFUSAXVKG-GTNSWQLSSA-N 0 0 383.412 2.796 20 5 GFBDRN C[C@H](Cc1ccncc1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820300607 606478395 /nfs/dbraw/zinc/47/83/95/606478395.db2.gz RRHAJPAQPOOEIE-LLVKDONJSA-N 0 0 376.380 2.761 20 5 GFBDRN CC(C)(NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819988052 606545361 /nfs/dbraw/zinc/54/53/61/606545361.db2.gz ROZKZGRGZPJMMM-UHFFFAOYSA-N 0 0 380.408 2.759 20 5 GFBDRN O=C(OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000823422562 606558209 /nfs/dbraw/zinc/55/82/09/606558209.db2.gz WMZILLLPQSAFFS-UHFFFAOYSA-N 0 0 391.290 2.733 20 5 GFBDRN O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[nH]n1 ZINC000823635347 606645131 /nfs/dbraw/zinc/64/51/31/606645131.db2.gz WHHRGHIIPPJKRF-HNNXBMFYSA-N 0 0 394.391 2.888 20 5 GFBDRN CC(C)c1nc([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202415 606645619 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O=C(Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000826457355 608122958 /nfs/dbraw/zinc/12/29/58/608122958.db2.gz XWQNELOZFXSEMV-UHFFFAOYSA-N 0 0 392.335 2.543 20 5 GFBDRN CN(C)c1ccc(COC(=O)C=Cc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825879302 608128353 /nfs/dbraw/zinc/12/83/53/608128353.db2.gz KOHUYUZIYGXFCV-CSKARUKUSA-N 0 0 394.391 2.598 20 5 GFBDRN O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[nH]n1 ZINC000826464137 608143682 /nfs/dbraw/zinc/14/36/82/608143682.db2.gz JYJAMENJQGDSJI-UHFFFAOYSA-N 0 0 377.407 2.786 20 5 GFBDRN CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000825793640 608177636 /nfs/dbraw/zinc/17/76/36/608177636.db2.gz ZUEVMKSFHKQHEE-UHFFFAOYSA-N 0 0 392.379 2.705 20 5 GFBDRN CCCN1C(=O)CCc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)ccc21 ZINC000825327353 608297842 /nfs/dbraw/zinc/29/78/42/608297842.db2.gz JHENQJVOYMEBQR-UHFFFAOYSA-N 0 0 394.395 2.603 20 5 GFBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CSc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826273092 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395.198 2.851 20 5 GFBDRN O=[N+]([O-])c1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)cc1 ZINC000826498543 609279814 /nfs/dbraw/zinc/27/98/14/609279814.db2.gz ZXMOZUZBYMQEKP-UHFFFAOYSA-N 0 0 380.343 2.712 20 5 GFBDRN COc1cccc2[nH]cc(CCNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])c21 ZINC000826217531 609324383 /nfs/dbraw/zinc/32/43/83/609324383.db2.gz QUAJKYXGYUTRAG-UHFFFAOYSA-N 0 0 379.380 2.919 20 5 GFBDRN CC(=CC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823944205 609501889 /nfs/dbraw/zinc/50/18/89/609501889.db2.gz ZWXCOHPPQOGLEG-FLIBITNWSA-N 0 0 382.355 2.634 20 5 GFBDRN Cc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000826271294 609563693 /nfs/dbraw/zinc/56/36/93/609563693.db2.gz LTWFMIWNRDRPHS-GFCCVEGCSA-N 0 0 395.427 2.996 20 5 GFBDRN CC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)CCO1 ZINC000825184557 609597997 /nfs/dbraw/zinc/59/79/97/609597997.db2.gz WASOJZGPSKEQOU-WPRPVWTQSA-N 0 0 380.792 2.572 20 5 GFBDRN CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000542201552 650400361 /nfs/dbraw/zinc/40/03/61/650400361.db2.gz PMJMWHUEBZJJKE-UHFFFAOYSA-N 0 0 397.185 2.520 20 5 GFBDRN Cc1c(Br)c(NCCCCCS(C)(=O)=O)ncc1[N+](=O)[O-] ZINC000480513560 650623806 /nfs/dbraw/zinc/62/38/06/650623806.db2.gz IYDLXNAVPUAATF-UHFFFAOYSA-N 0 0 380.264 2.688 20 5 GFBDRN CN(CC(=O)NCc1cnc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000819689345 660267373 /nfs/dbraw/zinc/26/73/73/660267373.db2.gz YIRZMZROTVIFAP-UHFFFAOYSA-N 0 0 385.243 2.566 20 5 GFBDRN CN(C[C@](C)(O)c1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000819914196 660274662 /nfs/dbraw/zinc/27/46/62/660274662.db2.gz VOBIQHMRIQKWGI-INIZCTEOSA-N 0 0 384.841 2.776 20 5 GFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)nn2C)cc1OC ZINC000820237605 660286125 /nfs/dbraw/zinc/28/61/25/660286125.db2.gz ZSUCBIRAJUUFQM-UHFFFAOYSA-N 0 0 399.201 2.750 20 5 GFBDRN CCOCCO[C@H](C)C(=O)OCc1ccc(Br)cc1[N+](=O)[O-] ZINC000820293015 660287719 /nfs/dbraw/zinc/28/77/19/660287719.db2.gz 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ZINC000821632343 660330983 /nfs/dbraw/zinc/33/09/83/660330983.db2.gz NQYCZOZAIPEYDM-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c2ncnn21 ZINC000822140992 660340955 /nfs/dbraw/zinc/34/09/55/660340955.db2.gz YIPJJXMLMCOMCR-XVKPBYJWSA-N 0 0 381.190 2.776 20 5 GFBDRN C[C@@]1(CCOC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000822030744 660339074 /nfs/dbraw/zinc/33/90/74/660339074.db2.gz BQYLWEHWDDGJAE-ZIAGYGMSSA-N 0 0 379.793 2.860 20 5 GFBDRN Cc1ccnc([C@@H](C)NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000823706255 660378310 /nfs/dbraw/zinc/37/83/10/660378310.db2.gz WLWVSTPSJHHIRO-SNVBAGLBSA-N 0 0 379.214 2.876 20 5 GFBDRN CCn1nc(C)c(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000824331792 660389895 /nfs/dbraw/zinc/38/98/95/660389895.db2.gz PKQQCXPDCZGWGG-UHFFFAOYSA-N 0 0 383.206 2.599 20 5 GFBDRN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCn2ncc(Br)c2C1 ZINC000825483359 660429615 /nfs/dbraw/zinc/42/96/15/660429615.db2.gz 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COc1c(Br)c([N+](=O)[O-])c(N[C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000777810411 656837185 /nfs/dbraw/zinc/83/71/85/656837185.db2.gz XFKXDIBWJWNUEU-IUCAKERBSA-N 0 0 390.190 2.845 20 5 GFBDRN CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCO1 ZINC000778484771 656882443 /nfs/dbraw/zinc/88/24/43/656882443.db2.gz QWNAMQLBGLGWBU-GFCCVEGCSA-N 0 0 375.194 2.993 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000779444198 656926890 /nfs/dbraw/zinc/92/68/90/656926890.db2.gz QSSULFIFNPAMLY-UHFFFAOYSA-N 0 0 394.172 2.981 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000779900096 656961012 /nfs/dbraw/zinc/96/10/12/656961012.db2.gz YUYGDFNBCDUCOU-SNVBAGLBSA-N 0 0 388.751 2.508 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000779915642 656963283 /nfs/dbraw/zinc/96/32/83/656963283.db2.gz OMOJZJQRSDYLST-OLZOCXBDSA-N 0 0 388.873 2.994 20 5 GFBDRN O=C(NC[C@H]1CCC=CO1)c1ccc([N+](=O)[O-])cc1I ZINC000781488889 657059580 /nfs/dbraw/zinc/05/95/80/657059580.db2.gz HQJRZVPFLMFTEV-SNVBAGLBSA-N 0 0 388.161 2.622 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)[C@H](C)O1 ZINC000782497533 657151603 /nfs/dbraw/zinc/15/16/03/657151603.db2.gz BVWQKUYTYBDFPF-BBBLOLIVSA-N 0 0 393.259 2.544 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@H](O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000783918634 657273199 /nfs/dbraw/zinc/27/31/99/657273199.db2.gz DTWUPCQZYZKGGU-LBPRGKRZSA-N 0 0 389.152 2.839 20 5 GFBDRN O=C(Nc1cc(Br)ccn1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000783945696 657275830 /nfs/dbraw/zinc/27/58/30/657275830.db2.gz PDXBLKNMYIGSRB-CYBMUJFWSA-N 0 0 391.181 2.884 20 5 GFBDRN C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000784044525 657284984 /nfs/dbraw/zinc/28/49/84/657284984.db2.gz FOUWWHZIFRKIQN-SNVBAGLBSA-N 0 0 385.214 2.915 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCc3c(Br)cccc32)c1 ZINC000784303351 657300423 /nfs/dbraw/zinc/30/04/23/657300423.db2.gz XDAVOEKHDWEEPA-ZDUSSCGKSA-N 0 0 395.257 2.758 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ZINC000785400526 657361094 /nfs/dbraw/zinc/36/10/94/657361094.db2.gz ZSDDESUYJHLQOP-HNNXBMFYSA-N 0 0 388.804 2.540 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC000785562142 657374838 /nfs/dbraw/zinc/37/48/38/657374838.db2.gz YJBLMGXMXSWZNE-UHFFFAOYSA-N 0 0 396.799 2.533 20 5 GFBDRN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(F)(F)F ZINC000786171484 657412521 /nfs/dbraw/zinc/41/25/21/657412521.db2.gz OPNDTGYVPHBCTL-SNVBAGLBSA-N 0 0 385.136 2.973 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1F ZINC000786323231 657421439 /nfs/dbraw/zinc/42/14/39/657421439.db2.gz HMHDPQVXYPXBHR-UHFFFAOYSA-N 0 0 386.788 2.721 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000788862354 657791234 /nfs/dbraw/zinc/79/12/34/657791234.db2.gz WZZJOEJWXISKAG-YUMQZZPRSA-N 0 0 390.190 2.847 20 5 GFBDRN CCc1[nH]nc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)c1Br ZINC000789138700 657821844 /nfs/dbraw/zinc/82/18/44/657821844.db2.gz 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CCn1cc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cn1 ZINC000284322527 563470745 /nfs/dbraw/zinc/47/07/45/563470745.db2.gz BEQMIOHEUWSSBR-UHFFFAOYSA-N 0 0 379.214 2.772 20 5 GFBDRN CCN(CC)C(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000284445571 563475232 /nfs/dbraw/zinc/47/52/32/563475232.db2.gz HPOLEOXIABJAFG-UHFFFAOYSA-N 0 0 386.246 2.606 20 5 GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000377872600 563489507 /nfs/dbraw/zinc/48/95/07/563489507.db2.gz FTALPPUFXUKFKD-LLVKDONJSA-N 0 0 381.797 2.898 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC2(C1)CCCC2 ZINC000377964146 563492446 /nfs/dbraw/zinc/49/24/46/563492446.db2.gz RZWYWFXBAIAXFS-UHFFFAOYSA-N 0 0 382.214 2.698 20 5 GFBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428506644 563493927 /nfs/dbraw/zinc/49/39/27/563493927.db2.gz NBKLPXHVCIROHR-GFCCVEGCSA-N 0 0 384.738 2.789 20 5 GFBDRN COc1cc(CN2CCn3c(Br)cnc3C2)c([N+](=O)[O-])cc1F ZINC000285157411 563506277 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378.332 2.542 20 5 GFBDRN CC1(C)CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000408461523 563556932 /nfs/dbraw/zinc/55/69/32/563556932.db2.gz ARBWUHKOSNKNEU-QFIPXVFZSA-N 0 0 389.271 2.731 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286403394 563558798 /nfs/dbraw/zinc/55/87/98/563558798.db2.gz PSZUMRPZDATQIM-VXNVDRBHSA-N 0 0 384.152 2.749 20 5 GFBDRN Cc1c([C@H]2OCC[C@@H]2Nc2ncc([N+](=O)[O-])cc2Br)cnn1C ZINC000431363398 563559774 /nfs/dbraw/zinc/55/97/74/563559774.db2.gz QCKSMKIEVGWROR-QWHCGFSZSA-N 0 0 382.218 2.736 20 5 GFBDRN COC(=O)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000431454586 563560839 /nfs/dbraw/zinc/56/08/39/563560839.db2.gz FMUYGTQILIYRNE-UHFFFAOYSA-N 0 0 385.214 2.773 20 5 GFBDRN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000431810120 563568508 /nfs/dbraw/zinc/56/85/08/563568508.db2.gz NWLLVWDPOSOCLM-SECBINFHSA-N 0 0 380.202 2.708 20 5 GFBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000331999508 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GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CCN(c2cccc(O)c2)CC1 ZINC000290598078 563715824 /nfs/dbraw/zinc/71/58/24/563715824.db2.gz YMUNQGCDVMNBJW-UHFFFAOYSA-N 0 0 379.214 2.785 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000439188983 563719269 /nfs/dbraw/zinc/71/92/69/563719269.db2.gz HSXMBKUQOGFIIH-UHFFFAOYSA-N 0 0 378.435 2.833 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000439242060 563720507 /nfs/dbraw/zinc/72/05/07/563720507.db2.gz YPBLELPKFWMWLT-PHIMTYICSA-N 0 0 389.271 2.942 20 5 GFBDRN COc1cc(Br)cc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000439307058 563722252 /nfs/dbraw/zinc/72/22/52/563722252.db2.gz OEAUKHFSEPLWGV-UHFFFAOYSA-N 0 0 394.181 2.943 20 5 GFBDRN COCC[C@@H]1COCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000291395018 563741697 /nfs/dbraw/zinc/74/16/97/563741697.db2.gz UTLFSHHNLCMLAV-LLVKDONJSA-N 0 0 388.218 2.627 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000291390835 563741897 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20 5 GFBDRN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292038558 563771161 /nfs/dbraw/zinc/77/11/61/563771161.db2.gz ZBTRVBUXZYILOO-BJOHPYRUSA-N 0 0 386.426 2.776 20 5 GFBDRN CCOC(=O)[C@H](CCOC)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292413664 563785599 /nfs/dbraw/zinc/78/55/99/563785599.db2.gz STPNEDIVIXOWRH-NSHDSACASA-N 0 0 379.196 2.600 20 5 GFBDRN COc1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000443153817 563794053 /nfs/dbraw/zinc/79/40/53/563794053.db2.gz HXEFVDXTRQFOHE-UHFFFAOYSA-N 0 0 386.813 2.783 20 5 GFBDRN Cc1cc(N2CCC[C@@H](CS(C)(=O)=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000292746367 563794673 /nfs/dbraw/zinc/79/46/73/563794673.db2.gz NGMVMAVFKRLFGZ-LLVKDONJSA-N 0 0 391.287 2.927 20 5 GFBDRN Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000366065819 563798518 /nfs/dbraw/zinc/79/85/18/563798518.db2.gz GBCMLZRDEZCQFN-AWEZNQCLSA-N 0 0 384.845 2.816 20 5 GFBDRN CC(C)(C)C1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000443300456 563800001 /nfs/dbraw/zinc/80/00/01/563800001.db2.gz XURXSNWQPDBZMM-UHFFFAOYSA-N 0 0 376.500 2.902 20 5 GFBDRN CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443345899 563802201 /nfs/dbraw/zinc/80/22/01/563802201.db2.gz SVIQZZXCEVOLDV-VHSXEESVSA-N 0 0 384.376 2.689 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000443385076 563803879 /nfs/dbraw/zinc/80/38/79/563803879.db2.gz LSZBVTFDZMBJKC-OAHLLOKOSA-N 0 0 376.862 2.776 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000293391248 563811008 /nfs/dbraw/zinc/81/10/08/563811008.db2.gz RHOPVHDRVPDROL-MQMHXKEQSA-N 0 0 393.241 2.925 20 5 GFBDRN C[C@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366575775 563814702 /nfs/dbraw/zinc/81/47/02/563814702.db2.gz REUAILLYJXJXQQ-ZBEGNZNMSA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000416349529 563817071 /nfs/dbraw/zinc/81/70/71/563817071.db2.gz GVMPYXREMBYOBT-JTQLQIEISA-N 0 0 392.200 2.735 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1c1cc[nH]n1 ZINC000366838948 563821705 /nfs/dbraw/zinc/82/17/05/563821705.db2.gz OGPNWDZIULNYRG-AWEZNQCLSA-N 0 0 379.214 2.987 20 5 GFBDRN CCC[C@@H](CCO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410182 563824533 /nfs/dbraw/zinc/82/45/33/563824533.db2.gz DVQHZTRQNVEMCJ-JTQLQIEISA-N 0 0 384.376 2.691 20 5 GFBDRN CC(C)n1cnnc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000293841731 563825309 /nfs/dbraw/zinc/82/53/09/563825309.db2.gz BGUCZDORIOYZEW-UHFFFAOYSA-N 0 0 382.218 2.802 20 5 GFBDRN CS[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000294157673 563832091 /nfs/dbraw/zinc/83/20/91/563832091.db2.gz ANPRMVNHQXAVSX-VIFPVBQESA-N 0 0 392.218 2.777 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444635128 563834665 /nfs/dbraw/zinc/83/46/65/563834665.db2.gz CTTNEUSQTNGUHE-CYBMUJFWSA-N 0 0 386.495 2.746 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000367226635 563837175 /nfs/dbraw/zinc/83/71/75/563837175.db2.gz XGSNQLDUIQXXRC-GFCCVEGCSA-N 0 0 390.776 2.743 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000367363194 563842273 /nfs/dbraw/zinc/84/22/73/563842273.db2.gz MLBHZXCDJYFPBT-MEDUHNTESA-N 0 0 399.241 2.734 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCO[C@@H](c2ccco2)C1 ZINC000367389434 563842868 /nfs/dbraw/zinc/84/28/68/563842868.db2.gz VBAHTJUWPYPLFT-GFCCVEGCSA-N 0 0 382.170 2.559 20 5 GFBDRN COc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc(OC)c1Br ZINC000445139996 563843624 /nfs/dbraw/zinc/84/36/24/563843624.db2.gz XFXXJKKHAGVUNC-UHFFFAOYSA-N 0 0 398.169 2.727 20 5 GFBDRN CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000416532972 563843985 /nfs/dbraw/zinc/84/39/85/563843985.db2.gz YIXZYRFSYAPKQX-JGZJWPJOSA-N 0 0 382.360 2.848 20 5 GFBDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445146335 563844318 /nfs/dbraw/zinc/84/43/18/563844318.db2.gz OLBLVXZXALWCQL-QMMMGPOBSA-N 0 0 398.188 2.958 20 5 GFBDRN CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416536936 563845265 /nfs/dbraw/zinc/84/52/65/563845265.db2.gz RIHCQEPTBVDIKU-PHIMTYICSA-N 0 0 382.360 2.848 20 5 GFBDRN COc1cc(Br)c(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1OC ZINC000294589557 563848103 /nfs/dbraw/zinc/84/81/03/563848103.db2.gz MYZZVIOAOQOALC-UHFFFAOYSA-N 0 0 389.246 2.918 20 5 GFBDRN COc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc(Br)c1O ZINC000445396887 563848879 /nfs/dbraw/zinc/84/88/79/563848879.db2.gz AAJFHBGJHCRBHF-UHFFFAOYSA-N 0 0 396.157 2.522 20 5 GFBDRN C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601794 563852249 /nfs/dbraw/zinc/85/22/49/563852249.db2.gz WMHJTLFHCOYLFO-CBAPKCEASA-N 0 0 381.273 2.530 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1csnn1 ZINC000416629628 563855338 /nfs/dbraw/zinc/85/53/38/563855338.db2.gz GYCOYZMVTPAYAN-ZCFIWIBFSA-N 0 0 382.345 2.505 20 5 GFBDRN CS(=O)(=O)CC[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000368167434 563865512 /nfs/dbraw/zinc/86/55/12/563865512.db2.gz QVSGTDOFYQSWNB-JTQLQIEISA-N 0 0 392.275 2.546 20 5 GFBDRN O=[N+]([O-])c1cccc(CSCc2nnnn2CCOCC(F)(F)F)c1 ZINC000446692137 563867522 /nfs/dbraw/zinc/86/75/22/563867522.db2.gz GHYIGABNZJTNFQ-UHFFFAOYSA-N 0 0 377.348 2.594 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2F)c(Br)c1 ZINC000446967280 563871763 /nfs/dbraw/zinc/87/17/63/563871763.db2.gz UOFICSGAPVQFQO-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCSCC2)c(Br)c1 ZINC000447037729 563873140 /nfs/dbraw/zinc/87/31/40/563873140.db2.gz JAXOSJFKKXXXPI-UHFFFAOYSA-N 0 0 395.300 2.779 20 5 GFBDRN CSc1nc2ncnc(N3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)c2s1 ZINC000369002483 563884094 /nfs/dbraw/zinc/88/40/94/563884094.db2.gz QFGIZOLKSRHQDB-SECBINFHSA-N 0 0 377.455 2.754 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)C2)c1 ZINC000369003403 563884236 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C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000563814697 564207731 /nfs/dbraw/zinc/20/77/31/564207731.db2.gz RMZMTAPOAGKLLN-BZNIZROVSA-N 0 0 386.857 2.750 20 5 GFBDRN Cc1cc(NCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000539926162 564233264 /nfs/dbraw/zinc/23/32/64/564233264.db2.gz QLTGOLCYHKNSGL-UHFFFAOYSA-N 0 0 383.861 2.611 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000564604568 564240340 /nfs/dbraw/zinc/24/03/40/564240340.db2.gz UZQRRDVASSSAPA-GFCCVEGCSA-N 0 0 386.495 2.652 20 5 GFBDRN COCCO[C@H]1COCC[C@@H]1Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473514906 564249008 /nfs/dbraw/zinc/24/90/08/564249008.db2.gz ZEHBXDQGYRHYOK-WFASDCNBSA-N 0 0 389.246 2.898 20 5 GFBDRN Cc1cc(NCc2nn(C)cc2I)c(F)cc1[N+](=O)[O-] ZINC000450848512 564251140 /nfs/dbraw/zinc/25/11/40/564251140.db2.gz UPVMHDBLCOSWID-UHFFFAOYSA-N 0 0 390.156 2.993 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000540847958 564258576 /nfs/dbraw/zinc/25/85/76/564258576.db2.gz OBXLYBQXHDGYNC-UHFFFAOYSA-N 0 0 380.198 2.720 20 5 GFBDRN CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894584 564259293 /nfs/dbraw/zinc/25/92/93/564259293.db2.gz ATOLWKVKAQDPKP-HZMBPMFUSA-N 0 0 385.829 2.698 20 5 GFBDRN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000508323883 564261050 /nfs/dbraw/zinc/26/10/50/564261050.db2.gz WWWLZOHSUWWSFH-UHFFFAOYSA-N 0 0 391.185 2.733 20 5 GFBDRN CCN([C@H](COC)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474127466 564266793 /nfs/dbraw/zinc/26/67/93/564266793.db2.gz BLGNGTMTVMPCHJ-AWEZNQCLSA-N 0 0 384.479 2.925 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N(C)CCCSC)c([N+](=O)[O-])c1 ZINC000541207752 564268843 /nfs/dbraw/zinc/26/88/43/564268843.db2.gz QBGZEQYRMRGQLQ-UHFFFAOYSA-N 0 0 375.516 2.815 20 5 GFBDRN NC(=O)CSc1ccccc1NC(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000509090698 564281906 /nfs/dbraw/zinc/28/19/06/564281906.db2.gz SEBSRXVWURSWLB-UHFFFAOYSA-N 0 0 377.447 2.903 20 5 GFBDRN COc1ccc(NC(=O)CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000509147694 564283174 /nfs/dbraw/zinc/28/31/74/564283174.db2.gz WCZZXZCCDAZMOM-UHFFFAOYSA-N 0 0 384.797 2.669 20 5 GFBDRN Cc1c(Br)c(N[C@H](Cc2ccccc2)C(N)=O)ncc1[N+](=O)[O-] ZINC000541578481 564284212 /nfs/dbraw/zinc/28/42/12/564284212.db2.gz INFULBRIOMPSEZ-LLVKDONJSA-N 0 0 379.214 2.569 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000541924904 564294916 /nfs/dbraw/zinc/29/49/16/564294916.db2.gz QWHAAKALWRVXFT-AAEUAGOBSA-N 0 0 377.198 2.852 20 5 GFBDRN Cc1ncsc1CCS(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000451355010 564304523 /nfs/dbraw/zinc/30/45/23/564304523.db2.gz ALRNHTDYTKPJQQ-HNNXBMFYSA-N 0 0 399.519 2.980 20 5 GFBDRN NC(=O)c1ccnc(N[C@@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000566041843 564307342 /nfs/dbraw/zinc/30/73/42/564307342.db2.gz CHFPWEONNSVJCB-GFCCVEGCSA-N 0 0 392.213 2.809 20 5 GFBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(F)(F)F ZINC000475729354 564317042 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ZINC000619533205 565347028 /nfs/dbraw/zinc/34/70/28/565347028.db2.gz FIJONVWVKCGTFF-VIFPVBQESA-N 0 0 384.230 2.909 20 5 GFBDRN COc1ccc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)nc1 ZINC000593618088 565347769 /nfs/dbraw/zinc/34/77/69/565347769.db2.gz FLXDBBCNDYJUFY-UHFFFAOYSA-N 0 0 383.451 2.628 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)[C@H](C)CSc2ccccc2)c([N+](=O)[O-])n1 ZINC000593625202 565348480 /nfs/dbraw/zinc/34/84/80/565348480.db2.gz JXJJOOTUSQDECR-GFCCVEGCSA-N 0 0 384.483 2.613 20 5 GFBDRN CCN([C@@H]1CCCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593635964 565350408 /nfs/dbraw/zinc/35/04/08/565350408.db2.gz IRNKJPWJKNPVJI-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN CCN([C@@H]1CCCOC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593637620 565350528 /nfs/dbraw/zinc/35/05/28/565350528.db2.gz UXEFGUABIFQPEM-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1Cl)CCn1ccc([N+](=O)[O-])n1 ZINC000593747054 565359740 /nfs/dbraw/zinc/35/97/40/565359740.db2.gz QKCBLYZXIKQDCK-UHFFFAOYSA-N 0 0 387.223 2.727 20 5 GFBDRN Cc1ccc(-c2csc(NC(=O)[C@H]3CCCS3(=O)=O)n2)cc1[N+](=O)[O-] ZINC000593956042 565370803 /nfs/dbraw/zinc/37/08/03/565370803.db2.gz XJZQCCAYWBUDHJ-CYBMUJFWSA-N 0 0 381.435 2.542 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594488221 565396069 /nfs/dbraw/zinc/39/60/69/565396069.db2.gz QRXSPYFVYXUVCK-ZWNOBZJWSA-N 0 0 382.360 2.682 20 5 GFBDRN C[C@]12COC[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000594855818 565430467 /nfs/dbraw/zinc/43/04/67/565430467.db2.gz HAZNRCKWJBYPHP-OQPBUACISA-N 0 0 381.237 2.559 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC2(CC2(F)F)CC1 ZINC000594869788 565432391 /nfs/dbraw/zinc/43/23/91/565432391.db2.gz GVKBGGJULRJPCV-UHFFFAOYSA-N 0 0 376.381 2.850 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594868927 565432554 /nfs/dbraw/zinc/43/25/54/565432554.db2.gz YPYSBDGUGJWFDY-ZJUUUORDSA-N 0 0 382.360 2.802 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120923 565450123 /nfs/dbraw/zinc/45/01/23/565450123.db2.gz OTRYGHKFMOOXOK-SNVBAGLBSA-N 0 0 394.280 2.855 20 5 GFBDRN CC(C)(F)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595160361 565452001 /nfs/dbraw/zinc/45/20/01/565452001.db2.gz RCKIPDSPSSWKAZ-UHFFFAOYSA-N 0 0 376.182 2.550 20 5 GFBDRN CC1(C)[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(F)F ZINC000595350672 565467427 /nfs/dbraw/zinc/46/74/27/565467427.db2.gz JCPNUAPHXIWAOU-SNVBAGLBSA-N 0 0 399.213 2.927 20 5 GFBDRN C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595383030 565471849 /nfs/dbraw/zinc/47/18/49/565471849.db2.gz YAYWQKYTLOSXAZ-ABAIWWIYSA-N 0 0 384.841 2.691 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1C ZINC000595394513 565472693 /nfs/dbraw/zinc/47/26/93/565472693.db2.gz GIGQYMIEDDYQGU-NSHDSACASA-N 0 0 382.360 2.554 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000595393262 565472955 /nfs/dbraw/zinc/47/29/55/565472955.db2.gz AGUQVFKPOYZYQH-QMMMGPOBSA-N 0 0 388.751 2.590 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595414921 565475557 /nfs/dbraw/zinc/47/55/57/565475557.db2.gz IHFGWMNJBUYVAU-BONVTDFDSA-N 0 0 378.397 2.590 20 5 GFBDRN O=[N+]([O-])c1cnn(CCN2CCOC[C@H]2c2ccc(Br)cc2)c1 ZINC000595748754 565489525 /nfs/dbraw/zinc/48/95/25/565489525.db2.gz LVVCYRMTXFCVMO-HNNXBMFYSA-N 0 0 381.230 2.627 20 5 GFBDRN CCO[C@@H](C)c1nc(CS(=O)(=O)Cc2onc(C)c2[N+](=O)[O-])cs1 ZINC000596038852 565507645 /nfs/dbraw/zinc/50/76/45/565507645.db2.gz OITDMQSEKFSCPB-VIFPVBQESA-N 0 0 375.428 2.560 20 5 GFBDRN CCCNC(=O)CN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596074900 565511714 /nfs/dbraw/zinc/51/17/14/565511714.db2.gz AKZSOUVOCGUVRO-UHFFFAOYSA-N 0 0 399.289 2.760 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[C@H]1C(F)F ZINC000596249041 565516334 /nfs/dbraw/zinc/51/63/34/565516334.db2.gz PIHBOSSYDWMDLC-ZDUSSCGKSA-N 0 0 375.397 2.613 20 5 GFBDRN CC[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000596243021 565516553 /nfs/dbraw/zinc/51/65/53/565516553.db2.gz JDDNHNYCYCSHOA-ZJUUUORDSA-N 0 0 377.260 2.759 20 5 GFBDRN Cc1noc(CN(C)S(=O)(=O)c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000596252645 565517011 /nfs/dbraw/zinc/51/70/11/565517011.db2.gz PWUNVXYJKXZITE-UHFFFAOYSA-N 0 0 396.244 2.536 20 5 GFBDRN O=c1[nH]ccc(N2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596456965 565525179 /nfs/dbraw/zinc/52/51/79/565525179.db2.gz XIEHRKMAJIGTMP-UHFFFAOYSA-N 0 0 379.214 2.785 20 5 GFBDRN Nc1ccc(N2CCN(c3ccc(Br)cc3)CC2)nc1[N+](=O)[O-] ZINC000596456312 565525234 /nfs/dbraw/zinc/52/52/34/565525234.db2.gz MXBGWPXVJDXCRR-UHFFFAOYSA-N 0 0 378.230 2.661 20 5 GFBDRN Cc1cc(N2CC[C@H](N(C)C(=O)N(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596519000 565526200 /nfs/dbraw/zinc/52/62/00/565526200.db2.gz OZMSIMRZLJLVFS-NSHDSACASA-N 0 0 385.262 2.858 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000597577430 565564778 /nfs/dbraw/zinc/56/47/78/565564778.db2.gz GHWPQOUWOWRUGV-UONOGXRCSA-N 0 0 386.221 2.616 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000597930729 565582771 /nfs/dbraw/zinc/58/27/71/565582771.db2.gz FMGSBGMRUGPNAK-JVXZTZIISA-N 0 0 380.202 2.693 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000598194908 565601419 /nfs/dbraw/zinc/60/14/19/565601419.db2.gz SOZPWOJHHKAVPT-CYBMUJFWSA-N 0 0 380.198 2.899 20 5 GFBDRN Cc1cncc(CCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000598312053 565608698 /nfs/dbraw/zinc/60/86/98/565608698.db2.gz XHQZOYKZIMXTCT-UHFFFAOYSA-N 0 0 379.214 2.737 20 5 GFBDRN O=[N+]([O-])c1c(Oc2ccc(Br)cc2F)ncnc1N1CCOCC1 ZINC000598586258 565628742 /nfs/dbraw/zinc/62/87/42/565628742.db2.gz GDKRBRMEBVUAQI-UHFFFAOYSA-N 0 0 399.176 2.915 20 5 GFBDRN Cc1ccc(S(=O)(=O)Nc2nn(C)cc2Br)c(C)c1[N+](=O)[O-] ZINC000598736147 565638598 /nfs/dbraw/zinc/63/85/98/565638598.db2.gz ULJMPJBZEMXKHT-UHFFFAOYSA-N 0 0 389.231 2.508 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3ccc(F)c(Br)c3C2)c1[N+](=O)[O-] ZINC000598944449 565650336 /nfs/dbraw/zinc/65/03/36/565650336.db2.gz NDIPNLRWSAYIRR-UHFFFAOYSA-N 0 0 397.204 2.980 20 5 GFBDRN NS(=O)(=O)c1cc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc([N+](=O)[O-])c1 ZINC000599122854 565658173 /nfs/dbraw/zinc/65/81/73/565658173.db2.gz ICTSQEQBKMXRNS-ARFHVFGLSA-N 0 0 379.825 2.646 20 5 GFBDRN COc1cccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)OC)c1 ZINC000599362210 565672228 /nfs/dbraw/zinc/67/22/28/565672228.db2.gz IDCFACVYZQRPTJ-CQSZACIVSA-N 0 0 386.451 2.639 20 5 GFBDRN O=C(NCc1cc2c([nH]c1=O)CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599491069 565684591 /nfs/dbraw/zinc/68/45/91/565684591.db2.gz QVFXGXLXYOZSIU-UHFFFAOYSA-N 0 0 392.209 2.877 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000600000538 565710190 /nfs/dbraw/zinc/71/01/90/565710190.db2.gz FBPZROJVGDDVQW-HQJQHLMTSA-N 0 0 397.147 2.743 20 5 GFBDRN O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600019150 565711034 /nfs/dbraw/zinc/71/10/34/565711034.db2.gz CXPNPQGOILVKQP-GZMMTYOYSA-N 0 0 379.157 2.636 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ncc(Br)cc3F)C2)nc1 ZINC000600116804 565715361 /nfs/dbraw/zinc/71/53/61/565715361.db2.gz PEDDBDSFJCEFTQ-NSHDSACASA-N 0 0 396.220 2.973 20 5 GFBDRN CCC(F)(F)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000600385581 565726801 /nfs/dbraw/zinc/72/68/01/565726801.db2.gz AKOIVDHYFDDGAV-UHFFFAOYSA-N 0 0 378.397 2.800 20 5 GFBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600483377 565731809 /nfs/dbraw/zinc/73/18/09/565731809.db2.gz WCVLSKBTKDRTPR-FAXRNKGOSA-N 0 0 376.356 2.739 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000601164251 565769773 /nfs/dbraw/zinc/76/97/73/565769773.db2.gz AGLYLQPUVSHAAC-JTQLQIEISA-N 0 0 376.257 2.631 20 5 GFBDRN COCc1ncc2c(n1)CCN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000601208822 565770662 /nfs/dbraw/zinc/77/06/62/565770662.db2.gz MRNFCFDQCZQEKK-UHFFFAOYSA-N 0 0 379.214 2.856 20 5 GFBDRN Cc1csc(CC2(O)CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)n1 ZINC000601194874 565771034 /nfs/dbraw/zinc/77/10/34/565771034.db2.gz UZKFSVMOJDFKBL-UHFFFAOYSA-N 0 0 379.467 2.643 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1N1CCN(CCc2cnccn2)CC1 ZINC000601253251 565773730 /nfs/dbraw/zinc/77/37/30/565773730.db2.gz HSMMYAQNKONRCP-UHFFFAOYSA-N 0 0 392.257 2.512 20 5 GFBDRN Cc1cc(S(=O)(=O)NC2CCC(OC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000601433144 565783808 /nfs/dbraw/zinc/78/38/08/565783808.db2.gz BUUGHPKLUNEULL-UHFFFAOYSA-N 0 0 382.360 2.871 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCn1ccc(C(F)(F)F)n1 ZINC000602221053 565830759 /nfs/dbraw/zinc/83/07/59/565830759.db2.gz RPHTTYJWFQVYJG-UHFFFAOYSA-N 0 0 376.722 2.822 20 5 GFBDRN CC(=O)N1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C(C)(C)C1 ZINC000602590462 565856427 /nfs/dbraw/zinc/85/64/27/565856427.db2.gz IFTZEVIXQLNDEC-UHFFFAOYSA-N 0 0 376.276 2.862 20 5 GFBDRN Cn1cc(CN2CCOC[C@@H]2c2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602890154 565872747 /nfs/dbraw/zinc/87/27/47/565872747.db2.gz WQXHZQVSUYDRCF-CQSZACIVSA-N 0 0 381.230 2.664 20 5 GFBDRN Cn1cc(Br)c(=NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000603044948 565882869 /nfs/dbraw/zinc/88/28/69/565882869.db2.gz SQGVDZPOFGBEEF-UHFFFAOYSA-N 0 0 394.229 2.709 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000603325462 565898449 /nfs/dbraw/zinc/89/84/49/565898449.db2.gz XFNUZPMEFDZHSH-UHFFFAOYSA-N 0 0 399.148 2.746 20 5 GFBDRN COc1cc(Br)c(Cn2cc([N+](=O)[O-])cc(OC)c2=O)cc1OC ZINC000603361444 565900614 /nfs/dbraw/zinc/90/06/14/565900614.db2.gz HLSRICRMKKCSPO-UHFFFAOYSA-N 0 0 399.197 2.593 20 5 GFBDRN O=[N+]([O-])c1cccc(OCCn2nnc(-c3ccc(Br)o3)n2)c1 ZINC000603677831 565914641 /nfs/dbraw/zinc/91/46/41/565914641.db2.gz IHQKVYUCPVCMNR-UHFFFAOYSA-N 0 0 380.158 2.683 20 5 GFBDRN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000603901696 565917878 /nfs/dbraw/zinc/91/78/78/565917878.db2.gz GFNCIGMHOBHFSZ-VIFPVBQESA-N 0 0 380.198 2.819 20 5 GFBDRN NS(=O)(=O)c1cc(NCCCSc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000603929187 565919412 /nfs/dbraw/zinc/91/94/12/565919412.db2.gz XHBLCVGOAVSJLP-UHFFFAOYSA-N 0 0 385.442 2.976 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000604030359 565922451 /nfs/dbraw/zinc/92/24/51/565922451.db2.gz SNORVDSKQHDRBR-KBPBESRZSA-N 0 0 386.495 2.578 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000608780750 566023025 /nfs/dbraw/zinc/02/30/25/566023025.db2.gz UGOUPTAITLRXTB-UONOGXRCSA-N 0 0 386.495 2.578 20 5 GFBDRN Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000609030227 566028796 /nfs/dbraw/zinc/02/87/96/566028796.db2.gz NYRWCTAJRHHYQO-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)s1 ZINC000609192928 566032007 /nfs/dbraw/zinc/03/20/07/566032007.db2.gz QZZACJUISCVISY-LBPRGKRZSA-N 0 0 385.442 2.743 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC(C2CC2)C2CC2)c1 ZINC000609418076 566039457 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O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826497622 607905595 /nfs/dbraw/zinc/90/55/95/607905595.db2.gz NQHKVNAXQWFTNX-CQSZACIVSA-N 0 0 390.407 2.794 20 5 GFBDRN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000825626870 607995988 /nfs/dbraw/zinc/99/59/88/607995988.db2.gz QCBRVSQZHSCVJA-UHFFFAOYSA-N 0 0 397.395 2.538 20 5 GFBDRN Cn1c2ccc(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cc2nc1C1CC1 ZINC000826355038 608018412 /nfs/dbraw/zinc/01/84/12/608018412.db2.gz HOCUGSZQKTZQDK-UHFFFAOYSA-N 0 0 377.368 2.678 20 5 GFBDRN CCOc1cc(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000825616072 608052247 /nfs/dbraw/zinc/05/22/47/608052247.db2.gz VNVASZSXPUWCTH-GOSISDBHSA-N 0 0 396.407 2.752 20 5 GFBDRN Cc1noc(C)c1CCC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826338688 608163351 /nfs/dbraw/zinc/16/33/51/608163351.db2.gz DRYHVKWKYXBFCD-UHFFFAOYSA-N 0 0 391.775 2.604 20 5 GFBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826464836 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JDWSVHQNDZEXNF-MRVPVSSYSA-N 0 0 391.243 2.975 20 5 GFBDRN Nc1c(Br)cc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000820820358 660307547 /nfs/dbraw/zinc/30/75/47/660307547.db2.gz SLNXTUHILGHTHC-GDBMZVCRSA-N 0 0 396.241 2.723 20 5 GFBDRN CC(C)[C@H]1CN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CCCO1 ZINC000820846985 660308083 /nfs/dbraw/zinc/30/80/83/660308083.db2.gz YMXAUENOLRALIR-CYBMUJFWSA-N 0 0 386.246 2.827 20 5 GFBDRN CC(C)(CCC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N+](=O)[O-] ZINC000823262368 660366609 /nfs/dbraw/zinc/36/66/09/660366609.db2.gz TUTFXWDXDACTTF-GFCCVEGCSA-N 0 0 384.274 2.980 20 5 GFBDRN O=C(/C=C/[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000823708412 660378407 /nfs/dbraw/zinc/37/84/07/660378407.db2.gz YCBDNKQBEOSEJD-RWCYGVJQSA-N 0 0 388.161 2.873 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000824913782 660404921 /nfs/dbraw/zinc/40/49/21/660404921.db2.gz FTFPQTLZQWHSFG-LLVKDONJSA-N 0 0 391.287 2.756 20 5 GFBDRN CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000825822900 660442985 /nfs/dbraw/zinc/44/29/85/660442985.db2.gz PHGORLBVRDDWAI-NSHDSACASA-N 0 0 376.862 2.842 20 5 GFBDRN CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)[C@@H]2CCCO[C@@H]21 ZINC000826085722 660449522 /nfs/dbraw/zinc/44/95/22/660449522.db2.gz IZAIPVXHDUGWIC-CKLFPEKLSA-N 0 0 384.230 2.686 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCOC[C@@H]1c1ccccc1 ZINC000826684470 660461035 /nfs/dbraw/zinc/46/10/35/660461035.db2.gz QFYXRLJEWYFHCB-CQSZACIVSA-N 0 0 392.209 2.966 20 5 GFBDRN O=C(c1c(Br)nc2n1CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000827400139 660493723 /nfs/dbraw/zinc/49/37/23/660493723.db2.gz CAQAVNNHQKXZPS-UHFFFAOYSA-N 0 0 391.225 2.699 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000827401746 660493824 /nfs/dbraw/zinc/49/38/24/660493824.db2.gz GDCOCRFTKLMWSM-VHDGCEQUSA-N 0 0 388.536 2.815 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000827401744 660493827 /nfs/dbraw/zinc/49/38/27/660493827.db2.gz GDCOCRFTKLMWSM-BPLDGKMQSA-N 0 0 388.536 2.815 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1CN(CCN1CCOCC1)CC1CC1 ZINC000827515467 660500043 /nfs/dbraw/zinc/50/00/43/660500043.db2.gz IMTXVVGDBKCIPY-UHFFFAOYSA-N 0 0 398.301 2.902 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC000827787011 660514966 /nfs/dbraw/zinc/51/49/66/660514966.db2.gz OPYDHCWAXSDUHV-MFKMUULPSA-N 0 0 392.836 2.967 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000827787009 660514981 /nfs/dbraw/zinc/51/49/81/660514981.db2.gz OPYDHCWAXSDUHV-GWCFXTLKSA-N 0 0 392.836 2.967 20 5 GFBDRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]1SC ZINC000828154975 660537966 /nfs/dbraw/zinc/53/79/66/660537966.db2.gz HXANCLWQHJHKTC-XWIASGKRSA-N 0 0 398.865 2.575 20 5 GFBDRN CC(C)(C)OC(=O)NC[C@H](O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000828435376 660548542 /nfs/dbraw/zinc/54/85/42/660548542.db2.gz FFLKNQBLZQDBSL-SNVBAGLBSA-N 0 0 390.234 2.655 20 5 GFBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000828590183 660558377 /nfs/dbraw/zinc/55/83/77/660558377.db2.gz NKHBJKTWKSQDQO-DTWKUNHWSA-N 0 0 393.487 2.773 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CCN(c2cccc(F)n2)CC1 ZINC000828884790 660573897 /nfs/dbraw/zinc/57/38/97/660573897.db2.gz KABCFJHWSRGTNK-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(Br)c1 ZINC000829073520 660580480 /nfs/dbraw/zinc/58/04/80/660580480.db2.gz XPFWZRTTYCFRCT-CQSZACIVSA-N 0 0 389.271 2.762 20 5 GFBDRN Cn1nc(C2CC2)nc1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000829909535 660621467 /nfs/dbraw/zinc/62/14/67/660621467.db2.gz APRMBJBIGWERBJ-UHFFFAOYSA-N 0 0 395.213 2.649 20 5 GFBDRN CCOC(=O)CC1(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000830558604 660664051 /nfs/dbraw/zinc/66/40/51/660664051.db2.gz YRCRFTOKUJNJTN-UHFFFAOYSA-N 0 0 377.802 2.751 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](CCO)C2)c1Cl ZINC000830623273 660667789 /nfs/dbraw/zinc/66/77/89/660667789.db2.gz ICVVWWAFEHKDSD-VIFPVBQESA-N 0 0 383.253 2.685 20 5 GFBDRN CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000831048225 660692062 /nfs/dbraw/zinc/69/20/62/660692062.db2.gz JTINFIYWXXATMI-LLVKDONJSA-N 0 0 383.253 2.947 20 5 GFBDRN C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000831213716 660704177 /nfs/dbraw/zinc/70/41/77/660704177.db2.gz WKBUAMDIAQZJBC-RKDXNWHRSA-N 0 0 375.194 2.729 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC3(CCO3)CC2)c1Cl ZINC000831398223 660709285 /nfs/dbraw/zinc/70/92/85/660709285.db2.gz OOQXCOCAOSPPET-UHFFFAOYSA-N 0 0 381.237 2.845 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@@H]1C ZINC000832204612 660763452 /nfs/dbraw/zinc/76/34/52/660763452.db2.gz QGZSAWCYDVVDMQ-QPUJVOFHSA-N 0 0 383.253 2.947 20 5 GFBDRN Cc1cc(F)cc(C(=O)NCC2(n3cc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000832240451 660767232 /nfs/dbraw/zinc/76/72/32/660767232.db2.gz JNYJSXHHOQVJAK-UHFFFAOYSA-N 0 0 397.204 2.920 20 5 GFBDRN CN([C@@H](CO)CC(C)(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832455426 660781039 /nfs/dbraw/zinc/78/10/39/660781039.db2.gz HPDIGLRONOOBDV-SNVBAGLBSA-N 0 0 382.841 2.805 20 5 GFBDRN CC(C)(O)[C@@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000832447572 660780402 /nfs/dbraw/zinc/78/04/02/660780402.db2.gz OFPUNNBHNNRRLI-GFCCVEGCSA-N 0 0 385.258 2.909 20 5 GFBDRN CC[C@H](C)N1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000832524567 660784083 /nfs/dbraw/zinc/78/40/83/660784083.db2.gz QBIFUMZQVHRGAR-LBPRGKRZSA-N 0 0 375.878 2.661 20 5 GFBDRN CO[C@H]([C@@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000832524439 660784247 /nfs/dbraw/zinc/78/42/47/660784247.db2.gz OJBRJOKPMLHKKX-JMCQJSRRSA-N 0 0 383.253 2.993 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2cccs2)C2(CO)CCC2)cs1 ZINC000832732613 660797685 /nfs/dbraw/zinc/79/76/85/660797685.db2.gz JXACEXJJVKPFIL-CYBMUJFWSA-N 0 0 388.492 2.900 20 5 GFBDRN COC[C@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000832750805 660798105 /nfs/dbraw/zinc/79/81/05/660798105.db2.gz CSILJVGQXOSQTE-LBPRGKRZSA-N 0 0 376.862 2.994 20 5 GFBDRN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005295845 654446862 /nfs/dbraw/zinc/44/68/62/654446862.db2.gz RHXOVFMAAVJXHP-UHFFFAOYSA-N 0 0 377.571 2.750 20 5 GFBDRN C[C@]1(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC000836909370 660953970 /nfs/dbraw/zinc/95/39/70/660953970.db2.gz ATNZUINQLNPWQG-AWEZNQCLSA-N 0 0 375.208 2.876 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000021960056 654530609 /nfs/dbraw/zinc/53/06/09/654530609.db2.gz YURMSMBXNYHNGM-ZETCQYMHSA-N 0 0 376.163 2.865 20 5 GFBDRN C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000836977441 660961191 /nfs/dbraw/zinc/96/11/91/660961191.db2.gz GFZIYGHJSQWPAH-QMMMGPOBSA-N 0 0 385.193 2.591 20 5 GFBDRN O=C(NC[C@@H](O)C1CCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000837114227 660971910 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Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000123156302 654752365 /nfs/dbraw/zinc/75/23/65/654752365.db2.gz QHGCXRWVLZSLBB-MRXNPFEDSA-N 0 0 384.841 2.959 20 5 GFBDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000123215775 654753547 /nfs/dbraw/zinc/75/35/47/654753547.db2.gz VASPZGPWQLLCST-MNOVXSKESA-N 0 0 385.214 2.819 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cs1 ZINC000054173976 654758215 /nfs/dbraw/zinc/75/82/15/654758215.db2.gz FOEWAFTYOOZXHW-UHFFFAOYSA-N 0 0 387.508 2.661 20 5 GFBDRN Cc1nn(CN2CCN(c3ncc(Cl)cc3Cl)CC2)c(C)c1[N+](=O)[O-] ZINC000054547130 654762171 /nfs/dbraw/zinc/76/21/71/654762171.db2.gz JPYBHJRRAUVNOZ-UHFFFAOYSA-N 0 0 385.255 2.890 20 5 GFBDRN CC(C)Oc1cccc(CNC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000054917485 654764923 /nfs/dbraw/zinc/76/49/23/654764923.db2.gz ORHRYECCVGVOJQ-UHFFFAOYSA-N 0 0 397.229 2.657 20 5 GFBDRN O=C1c2ccccc2C(=O)N1CCCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919269 654765149 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GFBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762622646 656051882 /nfs/dbraw/zinc/05/18/82/656051882.db2.gz BKGGOGCCJWRUHM-RBSFLKMASA-N 0 0 382.511 2.686 20 5 GFBDRN O=C(COC(=O)c1ccnc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000762934179 656064932 /nfs/dbraw/zinc/06/49/32/656064932.db2.gz HCZIJGRSDJSYFY-UHFFFAOYSA-N 0 0 380.154 2.548 20 5 GFBDRN O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000763219950 656076281 /nfs/dbraw/zinc/07/62/81/656076281.db2.gz NFYHZUNRTBHRRE-ZETCQYMHSA-N 0 0 388.145 2.749 20 5 GFBDRN NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Br)c1 ZINC000763604341 656087762 /nfs/dbraw/zinc/08/77/62/656087762.db2.gz LEBSNUHVKMOUER-LLVKDONJSA-N 0 0 385.195 2.802 20 5 GFBDRN NC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(Br)c1 ZINC000763656300 656089375 /nfs/dbraw/zinc/08/93/75/656089375.db2.gz YJTXIUZTVWXKAA-ZDUSSCGKSA-N 0 0 397.156 2.880 20 5 GFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Br)n1 ZINC000763771758 656093231 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391.236 2.734 20 5 GFBDRN C[C@@]12CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000284743790 563488770 /nfs/dbraw/zinc/48/87/70/563488770.db2.gz TYBUSXCDXJQIOK-CMPLNLGQSA-N 0 0 383.228 2.938 20 5 GFBDRN C[C@]12CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000284812724 563490944 /nfs/dbraw/zinc/49/09/44/563490944.db2.gz ZXQWJBVIVKTJJU-KGLIPLIRSA-N 0 0 393.292 2.983 20 5 GFBDRN COCCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284851690 563491795 /nfs/dbraw/zinc/49/17/95/563491795.db2.gz JHSDZDYIJYVOII-GFCCVEGCSA-N 0 0 387.230 2.543 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000284956427 563496603 /nfs/dbraw/zinc/49/66/03/563496603.db2.gz OVVHAZUQTATQIR-HWPZZCPQSA-N 0 0 399.241 2.686 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCC(O)(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000428650642 563498281 /nfs/dbraw/zinc/49/82/81/563498281.db2.gz ONDGNPUJMFDEOG-UHFFFAOYSA-N 0 0 393.184 2.898 20 5 GFBDRN 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564347329 /nfs/dbraw/zinc/34/73/29/564347329.db2.gz PNAHTSAUJMGBKH-LURJTMIESA-N 0 0 391.165 2.834 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000451783539 564351415 /nfs/dbraw/zinc/35/14/15/564351415.db2.gz BTIRKWRNSHYYBQ-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(COc2ccccc2Cl)n1C ZINC000510995703 564353167 /nfs/dbraw/zinc/35/31/67/564353167.db2.gz JOARODFOKFYSAT-UHFFFAOYSA-N 0 0 380.817 2.840 20 5 GFBDRN CSc1ccc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543514994 564353557 /nfs/dbraw/zinc/35/35/57/564353557.db2.gz HIUPOOBQFMMOEE-UHFFFAOYSA-N 0 0 380.447 2.520 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(F)cncc1F ZINC000511023567 564354100 /nfs/dbraw/zinc/35/41/00/564354100.db2.gz AMJBWZTVWSJBAL-SSDOTTSWSA-N 0 0 377.756 2.961 20 5 GFBDRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000477094412 564364561 /nfs/dbraw/zinc/36/45/61/564364561.db2.gz ALPHKLRYOIOYAM-GFCCVEGCSA-N 0 0 392.861 2.893 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000567428210 564371066 /nfs/dbraw/zinc/37/10/66/564371066.db2.gz XTBFOLGPNTVHKF-UHFFFAOYSA-N 0 0 380.151 3.000 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000544079876 564373694 /nfs/dbraw/zinc/37/36/94/564373694.db2.gz XEGXBLLNXKBSHJ-LLVKDONJSA-N 0 0 394.225 2.705 20 5 GFBDRN O=C(NCCCn1cc(Br)cn1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000567509022 564374566 /nfs/dbraw/zinc/37/45/66/564374566.db2.gz SZBDMBDFOGPJIO-UHFFFAOYSA-N 0 0 392.213 2.855 20 5 GFBDRN CC1(C2(NS(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000451989918 564376660 /nfs/dbraw/zinc/37/66/60/564376660.db2.gz CJDLALVGEYULBB-UHFFFAOYSA-N 0 0 375.244 2.968 20 5 GFBDRN CC(C)n1ncc2cc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)cnc21 ZINC000477550365 564380302 /nfs/dbraw/zinc/38/03/02/564380302.db2.gz NRTXWUSBPINQSR-UHFFFAOYSA-N 0 0 392.213 2.893 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(CCO)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452008368 564380972 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GFBDRN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1Cl)CCn1cc([N+](=O)[O-])cn1 ZINC000568521207 564423010 /nfs/dbraw/zinc/42/30/10/564423010.db2.gz FXNHWOHKGQYTPI-UHFFFAOYSA-N 0 0 387.223 2.727 20 5 GFBDRN CC(C)(C)OC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452629641 564423773 /nfs/dbraw/zinc/42/37/73/564423773.db2.gz XSXWEMYCEZKSFM-UHFFFAOYSA-N 0 0 385.214 2.771 20 5 GFBDRN C[NH+](C)CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000545492163 564426291 /nfs/dbraw/zinc/42/62/91/564426291.db2.gz ZZHNMYAUJXSFPI-UHFFFAOYSA-N 0 0 382.269 2.664 20 5 GFBDRN C[C@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC(=O)N1 ZINC000545736549 564431614 /nfs/dbraw/zinc/43/16/14/564431614.db2.gz PKGKFDKLZQOMTD-WPRPVWTQSA-N 0 0 395.213 2.713 20 5 GFBDRN COc1cc(Cl)c(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000569186913 564452568 /nfs/dbraw/zinc/45/25/68/564452568.db2.gz YCRJLVHGAMCECH-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c1C ZINC000546880467 564472772 /nfs/dbraw/zinc/47/27/72/564472772.db2.gz WZMQJADWNADRBP-UHFFFAOYSA-N 0 0 382.360 2.601 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(Cc3ccc(F)c(Br)c3)no2)c1 ZINC000547072129 564478008 /nfs/dbraw/zinc/47/80/08/564478008.db2.gz FQPITQOFAIETEP-UHFFFAOYSA-N 0 0 396.176 2.909 20 5 GFBDRN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696034 564482551 /nfs/dbraw/zinc/48/25/51/564482551.db2.gz VRMFSNGGYPYKJD-VIFPVBQESA-N 0 0 384.285 2.910 20 5 GFBDRN COc1ccc(-c2nc(Cn3cc(Br)c([N+](=O)[O-])n3)no2)cc1 ZINC000515605437 564483110 /nfs/dbraw/zinc/48/31/10/564483110.db2.gz AJWQHDRLNASUTI-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOC[C@@H]1CC(F)F ZINC000569935050 564484730 /nfs/dbraw/zinc/48/47/30/564484730.db2.gz WTYAZYMQVGAQPF-ONGXEEELSA-N 0 0 378.759 2.898 20 5 GFBDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000515754349 564486535 /nfs/dbraw/zinc/48/65/35/564486535.db2.gz VWEMPYSLBGSADJ-UHFFFAOYSA-N 0 0 387.820 2.854 20 5 GFBDRN O=[N+]([O-])c1cccc(CCc2nc(Cn3cc(Br)cn3)no2)c1 ZINC000516357934 564500967 /nfs/dbraw/zinc/50/09/67/564500967.db2.gz QHIOGPRSWKFSNV-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN COCCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000481221107 564505848 /nfs/dbraw/zinc/50/58/48/564505848.db2.gz XGASPZJXKQHXHT-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000481270853 564508548 /nfs/dbraw/zinc/50/85/48/564508548.db2.gz WWAOXLYWEZVBDL-SECBINFHSA-N 0 0 386.227 2.792 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000481981089 564530967 /nfs/dbraw/zinc/53/09/67/564530967.db2.gz NQVDZKQAOYYLMR-HNNXBMFYSA-N 0 0 383.495 2.854 20 5 GFBDRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cscn1 ZINC000482165468 564536716 /nfs/dbraw/zinc/53/67/16/564536716.db2.gz RJVGZLDIANCCTB-UHFFFAOYSA-N 0 0 396.431 2.593 20 5 GFBDRN C[C@@H](O)CN(CC(F)F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455398877 564552695 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CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H](C)O ZINC000456214762 564595504 /nfs/dbraw/zinc/59/55/04/564595504.db2.gz KOQZVSAQJSFGKC-PELKAZGASA-N 0 0 387.223 2.977 20 5 GFBDRN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[S@@]1=O ZINC000456367338 564603331 /nfs/dbraw/zinc/60/33/31/564603331.db2.gz NSFHKJDJJIARQJ-VWLOTQADSA-N 0 0 378.372 2.987 20 5 GFBDRN NS(=O)(=O)c1c(NCc2coc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000520397079 564603577 /nfs/dbraw/zinc/60/35/77/564603577.db2.gz GIHZAQKEGKVXNH-UHFFFAOYSA-N 0 0 380.407 2.571 20 5 GFBDRN Cc1c(Br)cc(C(=O)N(CC(F)F)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000456541104 564616539 /nfs/dbraw/zinc/61/65/39/564616539.db2.gz FZNRNRJRJQQRAS-SSDOTTSWSA-N 0 0 381.173 2.754 20 5 GFBDRN COCCc1cc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n(C)n1 ZINC000550319175 564619776 /nfs/dbraw/zinc/61/97/76/564619776.db2.gz HESFEUZDHMTBQJ-UHFFFAOYSA-N 0 0 397.229 2.840 20 5 GFBDRN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C)OC ZINC000573194980 564627594 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CCC(=O)N[C@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602453884 565848672 /nfs/dbraw/zinc/84/86/72/565848672.db2.gz KHQJICOKQVBQJM-VIFPVBQESA-N 0 0 376.276 2.909 20 5 GFBDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602470224 565850314 /nfs/dbraw/zinc/85/03/14/565850314.db2.gz XQQZYEJIGJOVAA-SFYZADRCSA-N 0 0 385.305 2.672 20 5 GFBDRN CC(C)(C)N1CC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1=O ZINC000602701346 565864304 /nfs/dbraw/zinc/86/43/04/565864304.db2.gz JOSQBYKYKVWDNS-JTQLQIEISA-N 0 0 376.276 2.908 20 5 GFBDRN O=C1CCCN1C[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602718695 565865427 /nfs/dbraw/zinc/86/54/27/565865427.db2.gz QATNRMCIPRCCMC-JTQLQIEISA-N 0 0 388.287 2.863 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br ZINC000602723544 565865490 /nfs/dbraw/zinc/86/54/90/565865490.db2.gz DUMIVZBNHSMDBR-ZJUUUORDSA-N 0 0 395.300 2.570 20 5 GFBDRN Cc1noc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000602885452 565873401 /nfs/dbraw/zinc/87/34/01/565873401.db2.gz DYSIZTVOWPHUDZ-LLVKDONJSA-N 0 0 383.202 2.702 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000603631648 565913148 /nfs/dbraw/zinc/91/31/48/565913148.db2.gz NMRWQYXIVAHTME-GJZGRUSLSA-N 0 0 386.495 2.578 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000608809421 566024476 /nfs/dbraw/zinc/02/44/76/566024476.db2.gz HQZWJYYZRWBKGO-UONOGXRCSA-N 0 0 393.241 2.925 20 5 GFBDRN CC(C)CCS(=O)(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000609196198 566032589 /nfs/dbraw/zinc/03/25/89/566032589.db2.gz FWDSTPJUTGXPQX-UHFFFAOYSA-N 0 0 383.392 2.991 20 5 GFBDRN O=C(NCc1ccc(Cl)o1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000609515616 566041311 /nfs/dbraw/zinc/04/13/11/566041311.db2.gz NZILXJNZFKUTJA-SNVBAGLBSA-N 0 0 383.813 2.824 20 5 GFBDRN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000610046282 566062239 /nfs/dbraw/zinc/06/22/39/566062239.db2.gz UKACOSIMKRLQST-UHFFFAOYSA-N 0 0 390.193 2.896 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000610589255 566088824 /nfs/dbraw/zinc/08/88/24/566088824.db2.gz HDYJSWVTPYNEJI-AOOOYVTPSA-N 0 0 392.277 2.956 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC(F)(F)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000610786020 566098935 /nfs/dbraw/zinc/09/89/35/566098935.db2.gz PRJPXKDUTRMUPQ-NSHDSACASA-N 0 0 375.397 2.979 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000611469283 566131770 /nfs/dbraw/zinc/13/17/70/566131770.db2.gz CEIWMRIXESAAAZ-SKDRFNHKSA-N 0 0 382.360 2.850 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611542332 566136270 /nfs/dbraw/zinc/13/62/70/566136270.db2.gz IFUWGKJDPSWAOY-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN CCOC(=O)CC[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611929724 566145057 /nfs/dbraw/zinc/14/50/57/566145057.db2.gz ILQJZHVBWLRJSS-NSHDSACASA-N 0 0 390.483 2.620 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000612792630 566175551 /nfs/dbraw/zinc/17/55/51/566175551.db2.gz SNXYOPYRGAWWFE-NXEZZACHSA-N 0 0 392.277 2.956 20 5 GFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ncc(-c2ccccc2)o1 ZINC000736139702 598855515 /nfs/dbraw/zinc/85/55/15/598855515.db2.gz XHBHUPAMKMDFHD-JTQLQIEISA-N 0 0 378.352 2.998 20 5 GFBDRN Cc1noc(COc2ccc(Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])cc2)n1 ZINC000737545568 598914938 /nfs/dbraw/zinc/91/49/38/598914938.db2.gz HPCHKRNNDAABIX-UHFFFAOYSA-N 0 0 394.351 2.789 20 5 GFBDRN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000735628872 598943707 /nfs/dbraw/zinc/94/37/07/598943707.db2.gz ZXGHKTRZPBAQDI-GFCCVEGCSA-N 0 0 389.416 2.586 20 5 GFBDRN Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2=O)cc1 ZINC000822242441 599061285 /nfs/dbraw/zinc/06/12/85/599061285.db2.gz LFPMXXOWCLWOOT-QGZVFWFLSA-N 0 0 393.407 2.691 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCc2ccn(-c3ccc(F)cc3)n2)c(-c2nn[nH]n2)c1 ZINC000823639510 599069607 /nfs/dbraw/zinc/06/96/07/599069607.db2.gz BKXAHIRRNRKWEK-UHFFFAOYSA-N 0 0 394.370 2.754 20 5 GFBDRN COc1ccccc1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737151191 599257036 /nfs/dbraw/zinc/25/70/36/599257036.db2.gz YTAJJWSYVVMLEO-UHFFFAOYSA-N 0 0 391.391 2.986 20 5 GFBDRN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000821412066 599265183 /nfs/dbraw/zinc/26/51/83/599265183.db2.gz HODUXLKETXIMHW-UHFFFAOYSA-N 0 0 397.395 2.538 20 5 GFBDRN Cc1cc(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1[N+](=O)[O-] ZINC000737273445 598458559 /nfs/dbraw/zinc/45/85/59/598458559.db2.gz CZSDISMNLIXYSY-UHFFFAOYSA-N 0 0 380.412 2.559 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCc2coc(-c3ccc(F)cc3)n2)c(-c2nn[nH]n2)c1 ZINC000738373492 598501345 /nfs/dbraw/zinc/50/13/45/598501345.db2.gz DRHZXVDJFCDUDV-UHFFFAOYSA-N 0 0 396.342 2.619 20 5 GFBDRN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000738165294 598591583 /nfs/dbraw/zinc/59/15/83/598591583.db2.gz BMJMLGWRYPJIJP-UHFFFAOYSA-N 0 0 383.343 2.741 20 5 GFBDRN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000736170143 598608584 /nfs/dbraw/zinc/60/85/84/598608584.db2.gz RWUJHDQXKIKMBP-JTQLQIEISA-N 0 0 379.336 2.965 20 5 GFBDRN Cc1cc(C)n(C[C@H]2CCCCN2c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 ZINC000737256385 598673610 /nfs/dbraw/zinc/67/36/10/598673610.db2.gz MOHFHCLEELLEEP-OAHLLOKOSA-N 0 0 382.428 2.647 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000737263466 599342481 /nfs/dbraw/zinc/34/24/81/599342481.db2.gz KCYGEXFWVXIREY-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN O=C1[C@H](Sc2ccccc2-c2nn[nH]n2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000823513553 599353781 /nfs/dbraw/zinc/35/37/81/599353781.db2.gz VAEVOTYEJISRMH-OAHLLOKOSA-N 0 0 382.405 2.673 20 5 GFBDRN Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822334730 599490559 /nfs/dbraw/zinc/49/05/59/599490559.db2.gz FJENMOXAXCPXHU-UHFFFAOYSA-N 0 0 375.392 2.708 20 5 GFBDRN CCCOc1ccc2c(c1)CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])C2 ZINC000821134252 607383126 /nfs/dbraw/zinc/38/31/26/607383126.db2.gz QFZNXEVKYSRUJA-UHFFFAOYSA-N 0 0 381.396 2.521 20 5 GFBDRN CO[C@]1(C)C[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678618 599688463 /nfs/dbraw/zinc/68/84/63/599688463.db2.gz QCKJZRMJLBKTKB-RDTXWAMCSA-N 0 0 383.412 2.939 20 5 GFBDRN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1-c1nn[nH]n1 ZINC000820170064 607406713 /nfs/dbraw/zinc/40/67/13/607406713.db2.gz OYIFUOASGJAIPN-UHFFFAOYSA-N 0 0 386.343 2.954 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826427901 607418394 /nfs/dbraw/zinc/41/83/94/607418394.db2.gz GLHVYJBQXIVMEL-UHFFFAOYSA-N 0 0 384.783 2.847 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826422957 607426382 /nfs/dbraw/zinc/42/63/82/607426382.db2.gz SMPVHLSZENHZJP-UHFFFAOYSA-N 0 0 398.810 2.776 20 5 GFBDRN O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082022 600187403 /nfs/dbraw/zinc/18/74/03/600187403.db2.gz SYQLZFAUDQLQBP-CQSZACIVSA-N 0 0 384.392 2.539 20 5 GFBDRN CC(C)[N@H+](C)CC1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736456111 600431837 /nfs/dbraw/zinc/43/18/37/600431837.db2.gz ZBYWHYJMESYVOW-UHFFFAOYSA-N 0 0 380.401 2.758 20 5 GFBDRN COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000826220374 607451713 /nfs/dbraw/zinc/45/17/13/607451713.db2.gz LVZTURWIYDWLSP-CYBMUJFWSA-N 0 0 395.423 2.722 20 5 GFBDRN CC1CCC([NH+]2CCN(c3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000736769649 600625313 /nfs/dbraw/zinc/62/53/13/600625313.db2.gz VVEABNKEABVUJC-UHFFFAOYSA-N 0 0 392.412 2.902 20 5 GFBDRN C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000737517673 600943700 /nfs/dbraw/zinc/94/37/00/600943700.db2.gz LIOFDUVHQLHGEN-CYBMUJFWSA-N 0 0 396.875 2.553 20 5 GFBDRN C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000827443072 601381208 /nfs/dbraw/zinc/38/12/08/601381208.db2.gz YBMBWQQLCHRVBA-MNOVXSKESA-N 0 0 392.437 2.698 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1c(F)cccc1F ZINC000826451177 607523256 /nfs/dbraw/zinc/52/32/56/607523256.db2.gz UBRFOZPBSONYTF-UHFFFAOYSA-N 0 0 380.698 2.959 20 5 GFBDRN COc1ccc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1-c1nn[nH]n1 ZINC000826208529 607546268 /nfs/dbraw/zinc/54/62/68/607546268.db2.gz OXQNFTJJZDCMIM-UHFFFAOYSA-N 0 0 377.364 2.695 20 5 GFBDRN COc1ccc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826205919 607595787 /nfs/dbraw/zinc/59/57/87/607595787.db2.gz UEPNAPXQGYKIBU-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN COc1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000826206143 607596333 /nfs/dbraw/zinc/59/63/33/607596333.db2.gz FOTLLCUYHYTPIE-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN 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382.829 2.607 20 5 GFBDRN C[C@@H](C(=O)N1CCn2c(Br)cnc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000367266592 563838404 /nfs/dbraw/zinc/83/84/04/563838404.db2.gz IAMIWHRYQUXISE-SECBINFHSA-N 0 0 397.204 2.839 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000416494142 563838725 /nfs/dbraw/zinc/83/87/25/563838725.db2.gz JNIXZOMEUFVZDJ-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN CCc1ncc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000416499358 563839259 /nfs/dbraw/zinc/83/92/59/563839259.db2.gz YLVHPGURSZYQSX-UHFFFAOYSA-N 0 0 379.316 2.643 20 5 GFBDRN C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000416542692 563845718 /nfs/dbraw/zinc/84/57/18/563845718.db2.gz XREMTBYDSIBBFB-LLVKDONJSA-N 0 0 381.479 2.763 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553669 563847524 /nfs/dbraw/zinc/84/75/24/563847524.db2.gz CQGKEBFQUBAFJW-GFCCVEGCSA-N 0 0 375.878 2.567 20 5 GFBDRN COC[C@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 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386.455 2.737 20 5 GFBDRN C[C@@H]1[C@@H](CO)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416632800 563856229 /nfs/dbraw/zinc/85/62/29/563856229.db2.gz GFBVNBNEGPJVHR-RKDXNWHRSA-N 0 0 383.253 2.683 20 5 GFBDRN C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000446027459 563856740 /nfs/dbraw/zinc/85/67/40/563856740.db2.gz XMFCLMUGJZXRCA-VIFPVBQESA-N 0 0 380.198 2.878 20 5 GFBDRN Cc1c(NC(=O)N2CCO[C@H](CF)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417077515 563867521 /nfs/dbraw/zinc/86/75/21/563867521.db2.gz PLJRKCCWQKGJAV-SNVBAGLBSA-N 0 0 376.182 2.868 20 5 GFBDRN CC1(C)CN(c2c(Br)cncc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000368448550 563871297 /nfs/dbraw/zinc/87/12/97/563871297.db2.gz BPOFWKKRQZPKBK-HNNXBMFYSA-N 0 0 386.246 2.917 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(n3cccn3)CC2)c1 ZINC000368510800 563873103 /nfs/dbraw/zinc/87/31/03/563873103.db2.gz GQBLWGBOQXDHPJ-UHFFFAOYSA-N 0 0 388.808 2.610 20 5 GFBDRN CSc1cccc(C(=O)Nc2nnc(-c3nccn3C)s2)c1[N+](=O)[O-] ZINC000368883292 563881175 /nfs/dbraw/zinc/88/11/75/563881175.db2.gz YMEPZLPOGLGHSW-UHFFFAOYSA-N 0 0 376.423 2.821 20 5 GFBDRN CCc1[nH]nc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1Br ZINC000447518841 563882870 /nfs/dbraw/zinc/88/28/70/563882870.db2.gz XDASKWFTTPPHHD-UHFFFAOYSA-N 0 0 397.185 2.682 20 5 GFBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1c1cccc(Br)c1 ZINC000447683044 563884741 /nfs/dbraw/zinc/88/47/41/563884741.db2.gz MNXURAPWJVBTKH-ZDUSSCGKSA-N 0 0 377.198 2.970 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000447814338 563887173 /nfs/dbraw/zinc/88/71/73/563887173.db2.gz ZMLVCINRJDQLLJ-ZVWUFJHRSA-N 0 0 386.246 2.833 20 5 GFBDRN Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000563264548 564183088 /nfs/dbraw/zinc/18/30/88/564183088.db2.gz HEJBJNKWJWJNFC-QMMMGPOBSA-N 0 0 397.254 2.514 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2nnco2)CC1 ZINC000563263464 564183423 /nfs/dbraw/zinc/18/34/23/564183423.db2.gz XJRGOIXPMJJGLB-UHFFFAOYSA-N 0 0 381.186 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CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)s1 ZINC000450791149 564248672 /nfs/dbraw/zinc/24/86/72/564248672.db2.gz LYEYVIDGUYILPS-NEPJUHHUSA-N 0 0 386.495 2.845 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CC(c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000450819427 564249802 /nfs/dbraw/zinc/24/98/02/564249802.db2.gz KYLGHPOABFMDQC-UHFFFAOYSA-N 0 0 381.841 2.760 20 5 GFBDRN Cn1nccc1[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450848896 564251129 /nfs/dbraw/zinc/25/11/29/564251129.db2.gz XVHHULXENKRJAH-ZANVPECISA-N 0 0 382.218 2.818 20 5 GFBDRN Cc1c(Br)c(N2CC[C@H]([C@H](O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000450873984 564252181 /nfs/dbraw/zinc/25/21/81/564252181.db2.gz DILZFLPIHHQIJW-XVKPBYJWSA-N 0 0 384.152 2.810 20 5 GFBDRN COC[C@]1(CO)CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000450900020 564254114 /nfs/dbraw/zinc/25/41/14/564254114.db2.gz TVWJTSJIPIWTHA-MRXNPFEDSA-N 0 0 396.241 2.741 20 5 GFBDRN O=[N+]([O-])c1cnccc1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000450890603 564254167 /nfs/dbraw/zinc/25/41/67/564254167.db2.gz VWEFZETWXUJWDG-LLVKDONJSA-N 0 0 384.205 2.576 20 5 GFBDRN COCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000541281870 564272728 /nfs/dbraw/zinc/27/27/28/564272728.db2.gz QOTLFZZELQRTQO-UHFFFAOYSA-N 0 0 384.479 2.579 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)CCc1cccc(Cl)c1 ZINC000508857404 564274734 /nfs/dbraw/zinc/27/47/34/564274734.db2.gz RRTIHZUQAOQVPO-UHFFFAOYSA-N 0 0 383.857 2.822 20 5 GFBDRN Cc1cnc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000541768144 564287914 /nfs/dbraw/zinc/28/79/14/564287914.db2.gz DVUYYFUDVCPFBI-JTQLQIEISA-N 0 0 381.479 2.978 20 5 GFBDRN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000541924495 564294703 /nfs/dbraw/zinc/29/47/03/564294703.db2.gz SEGIJXZXPREKMU-JTQLQIEISA-N 0 0 395.213 2.763 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[S@](=O)C3)cc2[N+](=O)[O-])n1 ZINC000474969925 564295383 /nfs/dbraw/zinc/29/53/83/564295383.db2.gz QAVZBBWTZDIGEZ-NDHGSNPTSA-N 0 0 397.503 2.762 20 5 GFBDRN CS(=O)(=O)c1ccc(SC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542191371 564303876 /nfs/dbraw/zinc/30/38/76/564303876.db2.gz OXIGKORJGLCLQI-GFCCVEGCSA-N 0 0 383.447 2.530 20 5 GFBDRN Cc1c(Br)c(NC[C@@H](CO)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000542505416 564316427 /nfs/dbraw/zinc/31/64/27/564316427.db2.gz GZUCWGUGJGALKU-LBPRGKRZSA-N 0 0 398.232 2.885 20 5 GFBDRN COc1ccc(I)c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000509951636 564318892 /nfs/dbraw/zinc/31/88/92/564318892.db2.gz IPAQCPGGHIRLBH-UHFFFAOYSA-N 0 0 387.133 2.788 20 5 GFBDRN COC1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000451615691 564331986 /nfs/dbraw/zinc/33/19/86/564331986.db2.gz QGMFIHZUHYYOIV-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434315 564333135 /nfs/dbraw/zinc/33/31/35/564333135.db2.gz CWKHBYAQMMXQPB-JQWIXIFHSA-N 0 0 387.483 2.965 20 5 GFBDRN CCOC(=O)C(C)(C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000510450128 564334018 /nfs/dbraw/zinc/33/40/18/564334018.db2.gz RZUTVJMFLNPKDH-UHFFFAOYSA-N 0 0 390.483 2.646 20 5 GFBDRN C[C@@H]1C[C@H](NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CO1 ZINC000566621991 564335605 /nfs/dbraw/zinc/33/56/05/564335605.db2.gz OTGNBOUDBZTIQA-BDAKNGLRSA-N 0 0 385.207 2.995 20 5 GFBDRN COc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000543013391 564335702 /nfs/dbraw/zinc/33/57/02/564335702.db2.gz BCTFRYPFHFSRRB-UHFFFAOYSA-N 0 0 383.813 2.616 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000510522742 564336404 /nfs/dbraw/zinc/33/64/04/564336404.db2.gz IXOOMEDCLVPDNO-WRWORJQWSA-N 0 0 395.300 2.696 20 5 GFBDRN CCOC(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000543166669 564340928 /nfs/dbraw/zinc/34/09/28/564340928.db2.gz MBEGHYPEQJAICM-VIFPVBQESA-N 0 0 378.834 2.519 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3ccc(Br)cc23)n1 ZINC000543356183 564347656 /nfs/dbraw/zinc/34/76/56/564347656.db2.gz MUGMQCUUNWFNBA-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN Cc1c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)nn2c1OCCC2 ZINC000451761625 564348877 /nfs/dbraw/zinc/34/88/77/564348877.db2.gz NFGXKHMGSWUMSG-UHFFFAOYSA-N 0 0 381.186 2.897 20 5 GFBDRN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451852136 564359723 /nfs/dbraw/zinc/35/97/23/564359723.db2.gz NMPKRWCEMHKOKD-LBPRGKRZSA-N 0 0 384.845 2.550 20 5 GFBDRN O=C1[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1cccc(Cl)c1 ZINC000477037196 564362521 /nfs/dbraw/zinc/36/25/21/564362521.db2.gz VDWKCPOMDHQMDH-HNNXBMFYSA-N 0 0 380.809 2.827 20 5 GFBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000451971144 564373885 /nfs/dbraw/zinc/37/38/85/564373885.db2.gz UHOZDVHCZCVCIE-KGLIPLIRSA-N 0 0 378.372 2.765 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452009810 564381209 /nfs/dbraw/zinc/38/12/09/564381209.db2.gz AMVCORHPWNWBKV-SNVBAGLBSA-N 0 0 382.360 2.709 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000567781561 564388613 /nfs/dbraw/zinc/38/86/13/564388613.db2.gz IWJBZJTVTWKDKT-UHFFFAOYSA-N 0 0 381.479 2.730 20 5 GFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000477965322 564391759 /nfs/dbraw/zinc/39/17/59/564391759.db2.gz MDZJWCJGPSBTQL-CWSCBRNRSA-N 0 0 384.230 2.839 20 5 GFBDRN Nc1nc(N2CC=C(c3cccc(Br)c3)CC2)ncc1[N+](=O)[O-] ZINC000545167681 564411311 /nfs/dbraw/zinc/41/13/11/564411311.db2.gz HSKXKWIYTOCMHV-UHFFFAOYSA-N 0 0 376.214 2.854 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc3c(c2)OCCCO3)s1 ZINC000512916894 564416229 /nfs/dbraw/zinc/41/62/29/564416229.db2.gz MHWSSSQYUKUKET-UHFFFAOYSA-N 0 0 384.435 2.833 20 5 GFBDRN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000545389348 564421116 /nfs/dbraw/zinc/42/11/16/564421116.db2.gz SXNUEOUQTZBIFY-UHFFFAOYSA-N 0 0 384.285 2.768 20 5 GFBDRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000513145216 564421605 /nfs/dbraw/zinc/42/16/05/564421605.db2.gz YWXDSUJSYKOOSJ-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN Cn1cc(Br)c(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000452754574 564429500 /nfs/dbraw/zinc/42/95/00/564429500.db2.gz KUXWFCSODPDBKG-UHFFFAOYSA-N 0 0 396.245 2.599 20 5 GFBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000479162390 564429682 /nfs/dbraw/zinc/42/96/82/564429682.db2.gz DBUCSXXVAZYFES-ZDUSSCGKSA-N 0 0 386.495 2.602 20 5 GFBDRN COc1ccc(Br)cc1-c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000545633845 564429840 /nfs/dbraw/zinc/42/98/40/564429840.db2.gz OONPBBMNDDOPMX-UHFFFAOYSA-N 0 0 394.185 2.855 20 5 GFBDRN Cc1c(Cc2nc(Cn3cc(Br)cn3)no2)cccc1[N+](=O)[O-] ZINC000545759077 564431473 /nfs/dbraw/zinc/43/14/73/564431473.db2.gz ZTSKUFTUCOAEQD-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452849113 564433985 /nfs/dbraw/zinc/43/39/85/564433985.db2.gz OUJWIGORJNBBBQ-NSHDSACASA-N 0 0 391.225 2.964 20 5 GFBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(C)(F)F ZINC000452842818 564434032 /nfs/dbraw/zinc/43/40/32/564434032.db2.gz DVZQYQZUASEPDE-LURJTMIESA-N 0 0 384.120 2.973 20 5 GFBDRN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602012 564450487 /nfs/dbraw/zinc/45/04/87/564450487.db2.gz CZWQSDXNQSPVDL-PSASIEDQSA-N 0 0 382.269 2.697 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(COc2ccc(Cl)cc2)n1C ZINC000514652958 564452645 /nfs/dbraw/zinc/45/26/45/564452645.db2.gz QKACGWFMPDAUBB-UHFFFAOYSA-N 0 0 380.817 2.840 20 5 GFBDRN Cc1cc(Br)ccc1Cc1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000546464419 564455904 /nfs/dbraw/zinc/45/59/04/564455904.db2.gz PGKRZENFDUOYJN-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN COc1ncc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000546462266 564456095 /nfs/dbraw/zinc/45/60/95/564456095.db2.gz GJNHZTCGNQDTDN-UHFFFAOYSA-N 0 0 394.185 2.740 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000569487554 564465754 /nfs/dbraw/zinc/46/57/54/564465754.db2.gz MBFYNRCZRHOFHC-LBPRGKRZSA-N 0 0 398.257 2.795 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNc3c([N+](=O)[O-])ncn3C)nc12 ZINC000546757233 564466932 /nfs/dbraw/zinc/46/69/32/564466932.db2.gz KOAQSRMJEDNPOR-UHFFFAOYSA-N 0 0 379.218 2.702 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2cccc(N3CCOCC3)n2)c(Br)c1 ZINC000480303740 564467904 /nfs/dbraw/zinc/46/79/04/564467904.db2.gz DAXIQEHWFMCYLG-UHFFFAOYSA-N 0 0 394.229 2.596 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000480425852 564472747 /nfs/dbraw/zinc/47/27/47/564472747.db2.gz LCQLPPOZGDAMHZ-APPZFPTMSA-N 0 0 386.323 2.704 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H](O)COCC1CC1 ZINC000480513734 564476623 /nfs/dbraw/zinc/47/66/23/564476623.db2.gz PKWHNRBHAASEJH-LBPRGKRZSA-N 0 0 396.241 2.527 20 5 GFBDRN COc1ccc(-c2nc(Cn3cc(Br)cn3)no2)cc1[N+](=O)[O-] ZINC000547149375 564478703 /nfs/dbraw/zinc/47/87/03/564478703.db2.gz GXTADEGRHWMJRE-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000454138860 564500584 /nfs/dbraw/zinc/50/05/84/564500584.db2.gz NFWFRXJJSFDVGS-CQSZACIVSA-N 0 0 396.241 2.991 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000481217440 564505588 /nfs/dbraw/zinc/50/55/88/564505588.db2.gz GFWFBGIWWDUZKG-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000482030191 564532777 /nfs/dbraw/zinc/53/27/77/564532777.db2.gz GCAJSBKMPBCZOT-UHFFFAOYSA-N 0 0 382.207 2.938 20 5 GFBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000571188428 564540281 /nfs/dbraw/zinc/54/02/81/564540281.db2.gz CYAFVIIVWSSYMC-SNVBAGLBSA-N 0 0 382.269 2.762 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482546329 564545668 /nfs/dbraw/zinc/54/56/68/564545668.db2.gz ANCJTPOBNBYMNB-VIFPVBQESA-N 0 0 384.223 2.644 20 5 GFBDRN CC(C)(C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)n1cc([N+](=O)[O-])cn1 ZINC000518064893 564545799 /nfs/dbraw/zinc/54/57/99/564545799.db2.gz NUDSTKZJLKCRCG-UONOGXRCSA-N 0 0 393.241 2.961 20 5 GFBDRN COCCOc1ccc(Br)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000482829053 564550933 /nfs/dbraw/zinc/55/09/33/564550933.db2.gz QKZGHBLDYPDSHJ-UHFFFAOYSA-N 0 0 399.201 2.666 20 5 GFBDRN O=C(NC[C@@H]1CCSC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000548394398 564551130 /nfs/dbraw/zinc/55/11/30/564551130.db2.gz BLIFLKQNFSMAPL-QMMMGPOBSA-N 0 0 392.218 2.682 20 5 GFBDRN CCS[C@H]1CCCCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455621911 564560554 /nfs/dbraw/zinc/56/05/54/564560554.db2.gz RTPSEKGJSSPMAM-LBPRGKRZSA-N 0 0 386.495 2.746 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000519520833 564579826 /nfs/dbraw/zinc/57/98/26/564579826.db2.gz QHAUGUXDVFVSAR-WCQYABFASA-N 0 0 377.198 2.620 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548950038 564582098 /nfs/dbraw/zinc/58/20/98/564582098.db2.gz DFWAGGXRIHCBHB-UFBFGSQYSA-N 0 0 383.202 2.586 20 5 GFBDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000549219092 564588826 /nfs/dbraw/zinc/58/88/26/564588826.db2.gz LREKCYMVVNSGSB-NSHDSACASA-N 0 0 384.845 2.812 20 5 GFBDRN COc1cc(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ccc1Cl ZINC000549246821 564589874 /nfs/dbraw/zinc/58/98/74/564589874.db2.gz VULALTGJCATEPW-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN O=C(Nc1cc(N2CCOCC2)ccc1Br)c1cc([N+](=O)[O-])c[nH]1 ZINC000456282209 564598881 /nfs/dbraw/zinc/59/88/81/564598881.db2.gz ALZVIEMVGNAOLE-UHFFFAOYSA-N 0 0 395.213 2.774 20 5 GFBDRN CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@@]1=O ZINC000456372833 564603442 /nfs/dbraw/zinc/60/34/42/564603442.db2.gz VGLIRPNKTWVTCL-VWLOTQADSA-N 0 0 376.381 2.569 20 5 GFBDRN Cc1nn(C)c(NCc2cc(Br)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000520565094 564607032 /nfs/dbraw/zinc/60/70/32/564607032.db2.gz GYOSHAOWQMMWKC-UHFFFAOYSA-N 0 0 383.202 2.783 20 5 GFBDRN O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000456468423 564608391 /nfs/dbraw/zinc/60/83/91/564608391.db2.gz GWOIRXMKFOLEEB-LBPRGKRZSA-N 0 0 375.759 2.624 20 5 GFBDRN Cc1ccc(C[C@@H](CO)CNC(=O)c2ccc([N+](=O)[O-])o2)cc1Br ZINC000456475886 564609163 /nfs/dbraw/zinc/60/91/63/564609163.db2.gz BRUKCLLFSIUONA-GFCCVEGCSA-N 0 0 397.225 2.840 20 5 GFBDRN CC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cc(F)cc(Br)c1 ZINC000485674562 564623038 /nfs/dbraw/zinc/62/30/38/564623038.db2.gz YUOSQYCYXCHTNU-LBPRGKRZSA-N 0 0 385.193 2.960 20 5 GFBDRN COC(=O)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000573379600 564635549 /nfs/dbraw/zinc/63/55/49/564635549.db2.gz BKQVKWQKGADUMB-UHFFFAOYSA-N 0 0 385.785 2.539 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1OCc1cn2cccnc2n1 ZINC000551101652 564638174 /nfs/dbraw/zinc/63/81/74/564638174.db2.gz WPRBSEHZGFAUPE-UHFFFAOYSA-N 0 0 396.144 2.821 20 5 GFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCNC(=O)c2ccccc21 ZINC000486122019 564640546 /nfs/dbraw/zinc/64/05/46/564640546.db2.gz BCQBPAJOHPQVHC-UHFFFAOYSA-N 0 0 396.222 2.809 20 5 GFBDRN O=c1c(Br)cn(Cc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000551447919 564650191 /nfs/dbraw/zinc/65/01/91/564650191.db2.gz CKZCIFJILVGXPC-UHFFFAOYSA-N 0 0 378.104 2.981 20 5 GFBDRN CCN1C[C@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000486460547 564652992 /nfs/dbraw/zinc/65/29/92/564652992.db2.gz XMBAFTJIYRVFBK-IUCAKERBSA-N 0 0 376.276 2.974 20 5 GFBDRN CC[C@@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000486596675 564658105 /nfs/dbraw/zinc/65/81/05/564658105.db2.gz BXKMWVJKSKWXGB-RKDXNWHRSA-N 0 0 387.849 2.919 20 5 GFBDRN CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000551658003 564659919 /nfs/dbraw/zinc/65/99/19/564659919.db2.gz FFMFVEYTDSGHEM-UONOGXRCSA-N 0 0 387.230 2.590 20 5 GFBDRN C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000551718291 564661368 /nfs/dbraw/zinc/66/13/68/564661368.db2.gz WUHOXHGBQFZVNE-SNVBAGLBSA-N 0 0 384.230 2.944 20 5 GFBDRN COc1cccc2c1CCN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC2 ZINC000486835278 564668368 /nfs/dbraw/zinc/66/83/68/564668368.db2.gz QOAZLUJQEITLHX-UHFFFAOYSA-N 0 0 382.463 2.763 20 5 GFBDRN COCCN(Cc1scnc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000487344146 564683343 /nfs/dbraw/zinc/68/33/43/564683343.db2.gz WMCFLJOCJIJFSH-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000524608567 564683811 /nfs/dbraw/zinc/68/38/11/564683811.db2.gz HBXQEXHGUVSULD-NEPJUHHUSA-N 0 0 379.214 2.685 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000487374738 564685448 /nfs/dbraw/zinc/68/54/48/564685448.db2.gz IWUDSLPKLVAAGH-MRXNPFEDSA-N 0 0 382.463 2.901 20 5 GFBDRN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)S1 ZINC000525203652 564695402 /nfs/dbraw/zinc/69/54/02/564695402.db2.gz HJRKBGHXHLOQAP-GRYCIOLGSA-N 0 0 383.495 2.613 20 5 GFBDRN O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000488128775 564704285 /nfs/dbraw/zinc/70/42/85/564704285.db2.gz XYGOSSCDZYJYPE-NSHDSACASA-N 0 0 381.410 2.949 20 5 GFBDRN COC(=O)c1cc(C(=O)Nc2nc3c(s2)CSCC3)cc([N+](=O)[O-])c1 ZINC000552976210 564706315 /nfs/dbraw/zinc/70/63/15/564706315.db2.gz ONFVEJIZXJHPNT-UHFFFAOYSA-N 0 0 379.419 2.880 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000576179361 564706720 /nfs/dbraw/zinc/70/67/20/564706720.db2.gz CJVSCUGCMDJSQR-SNVBAGLBSA-N 0 0 398.257 2.797 20 5 GFBDRN O=c1ccn(Cc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000525826133 564709539 /nfs/dbraw/zinc/70/95/39/564709539.db2.gz ZKILEKFKBDGSRK-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000576353225 564712684 /nfs/dbraw/zinc/71/26/84/564712684.db2.gz WKSACKSFIMREPS-UHFFFAOYSA-N 0 0 387.621 2.979 20 5 GFBDRN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000526021559 564716680 /nfs/dbraw/zinc/71/66/80/564716680.db2.gz XMBMPNPXMZULPW-GILQPQBKSA-N 0 0 379.463 2.700 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CC=CCC1 ZINC000488769428 564720135 /nfs/dbraw/zinc/72/01/35/564720135.db2.gz ZDGBEGHLLIHUJM-SNVBAGLBSA-N 0 0 375.244 2.992 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000553430257 564720265 /nfs/dbraw/zinc/72/02/65/564720265.db2.gz OHAWSKUCEMSBMC-ZDUSSCGKSA-N 0 0 385.207 2.732 20 5 GFBDRN O=C(NC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1Br ZINC000526981067 564724781 /nfs/dbraw/zinc/72/47/81/564724781.db2.gz SPDVUMIBADDGJE-NSHDSACASA-N 0 0 393.193 2.927 20 5 GFBDRN CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488947277 564724939 /nfs/dbraw/zinc/72/49/39/564724939.db2.gz STHSMZGEJMDKKY-KOLCDFICSA-N 0 0 393.259 2.545 20 5 GFBDRN O=[N+]([O-])c1cn(C[C@H](O)COc2ccc(Br)cc2)nc1C1CC1 ZINC000489344982 564736952 /nfs/dbraw/zinc/73/69/52/564736952.db2.gz LVKXNQFUAOYICG-LBPRGKRZSA-N 0 0 382.214 2.871 20 5 GFBDRN COc1cc(C(=O)Nc2ccnc(C)c2Br)cc([N+](=O)[O-])c1OC ZINC000527340390 564741163 /nfs/dbraw/zinc/74/11/63/564741163.db2.gz PFZDZEXSRPXPDJ-UHFFFAOYSA-N 0 0 396.197 2.752 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CCn2ccnc2C1 ZINC000489940078 564758676 /nfs/dbraw/zinc/75/86/76/564758676.db2.gz RHXSNHWVRZPMRM-LLVKDONJSA-N 0 0 388.225 2.951 20 5 GFBDRN COc1ccc(CC(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000554398382 564759770 /nfs/dbraw/zinc/75/97/70/564759770.db2.gz HTQPPAGFRBCBPE-SECBINFHSA-N 0 0 395.213 2.576 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000490464367 564773407 /nfs/dbraw/zinc/77/34/07/564773407.db2.gz OCLQMDUPZZYYGT-UHFFFAOYSA-N 0 0 384.435 2.657 20 5 GFBDRN CCc1ncc(S(=O)(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000460941947 564785728 /nfs/dbraw/zinc/78/57/28/564785728.db2.gz ZJLCLHZBGBIHQJ-UHFFFAOYSA-N 0 0 384.483 2.703 20 5 GFBDRN Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779475 564804927 /nfs/dbraw/zinc/80/49/27/564804927.db2.gz KZYYEQFZUDBMHS-SNVBAGLBSA-N 0 0 381.376 2.758 20 5 GFBDRN COc1c(S(=O)(=O)N2CCC[C@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493770967 564811114 /nfs/dbraw/zinc/81/11/14/564811114.db2.gz XIUFBJFHTOZKCW-MRVPVSSYSA-N 0 0 393.259 2.847 20 5 GFBDRN CSc1ccc(C(=O)N(C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000493957938 564813826 /nfs/dbraw/zinc/81/38/26/564813826.db2.gz LGDMLZYKMGKETN-UHFFFAOYSA-N 0 0 379.463 2.767 20 5 GFBDRN COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000493979951 564815297 /nfs/dbraw/zinc/81/52/97/564815297.db2.gz NRVXEHRUSDWFSR-UHFFFAOYSA-N 0 0 382.214 2.977 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000581897079 564821923 /nfs/dbraw/zinc/82/19/23/564821923.db2.gz MNPDTJUYUAZBOS-UHFFFAOYSA-N 0 0 379.291 2.973 20 5 GFBDRN CN(C[C@H]1CCCOC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462278908 564831112 /nfs/dbraw/zinc/83/11/12/564831112.db2.gz NQFLRUILUQOZQR-SECBINFHSA-N 0 0 383.253 2.949 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ncccc2Br)CC1 ZINC000557493490 564864979 /nfs/dbraw/zinc/86/49/79/564864979.db2.gz AGNDGTNIRLVZMO-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN CNC(=O)[C@@H]1CCC[C@@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000497555002 564871114 /nfs/dbraw/zinc/87/11/14/564871114.db2.gz PBKLBTJYOXOQQX-MFKMUULPSA-N 0 0 393.241 2.654 20 5 GFBDRN COc1c(S(=O)(=O)N2[C@H](C)C[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000530478971 564883809 /nfs/dbraw/zinc/88/38/09/564883809.db2.gz IZCNDSCNRKFMKS-OCAPTIKFSA-N 0 0 393.259 2.846 20 5 GFBDRN Cc1cc(N2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000530489716 564884891 /nfs/dbraw/zinc/88/48/91/564884891.db2.gz GDYMQNKXHOGIDL-LLVKDONJSA-N 0 0 383.246 2.706 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1cn2ccsc2n1 ZINC000498120460 564888737 /nfs/dbraw/zinc/88/87/37/564888737.db2.gz DLUQQMPBLPUBGG-UHFFFAOYSA-N 0 0 379.829 2.999 20 5 GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCn1cc(Br)cn1 ZINC000558181718 564895558 /nfs/dbraw/zinc/89/55/58/564895558.db2.gz BLZVTBCKHHHOII-NSHDSACASA-N 0 0 396.245 2.513 20 5 GFBDRN CNc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000558450257 564901504 /nfs/dbraw/zinc/90/15/04/564901504.db2.gz CUFOHVJWDZFOEL-MRVPVSSYSA-N 0 0 380.202 2.680 20 5 GFBDRN CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000583714781 564904447 /nfs/dbraw/zinc/90/44/47/564904447.db2.gz FCDZLOVWVLGUDR-UHTWSYAYSA-N 0 0 383.246 2.811 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000558551655 564906045 /nfs/dbraw/zinc/90/60/45/564906045.db2.gz YWTJHNMZWVSFIY-UHFFFAOYSA-N 0 0 390.197 2.556 20 5 GFBDRN CN(Cc1nnc2n1CCCCC2)c1ncc([N+](=O)[O-])cc1Br ZINC000531379673 564908692 /nfs/dbraw/zinc/90/86/92/564908692.db2.gz SDRZLNCCVSPJSS-UHFFFAOYSA-N 0 0 381.234 2.707 20 5 GFBDRN O=C(CN1CCOc2ccc([N+](=O)[O-])cc2C1)NCc1ccc(Cl)s1 ZINC000583841838 564909526 /nfs/dbraw/zinc/90/95/26/564909526.db2.gz NEFXOTVPTPLHEH-UHFFFAOYSA-N 0 0 381.841 2.821 20 5 GFBDRN Nc1nc(N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)ncc1[N+](=O)[O-] ZINC000498843252 564910872 /nfs/dbraw/zinc/91/08/72/564910872.db2.gz IRNAIMVZSSNRFM-UHFFFAOYSA-N 0 0 383.239 2.821 20 5 GFBDRN C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000583949600 564914682 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GFBDRN C[C@]1(F)CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000534308032 564985403 /nfs/dbraw/zinc/98/54/03/564985403.db2.gz RTFZSWGMTQOGER-LBPRGKRZSA-N 0 0 378.141 2.774 20 5 GFBDRN COC(=O)C1(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000534630413 564993157 /nfs/dbraw/zinc/99/31/57/564993157.db2.gz VZXFFPQAHSAUPJ-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](CO)c1ccccc1Cl ZINC000561561463 565002137 /nfs/dbraw/zinc/00/21/37/565002137.db2.gz OLZJKHXYJNRRRA-GFCCVEGCSA-N 0 0 384.841 2.611 20 5 GFBDRN CC(C)(C)OCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535033124 565002999 /nfs/dbraw/zinc/00/29/99/565002999.db2.gz PCAUIZYNSZWDFY-UHFFFAOYSA-N 0 0 392.193 2.744 20 5 GFBDRN C[C@@H](C(=O)Nc1cn(C)cc(Br)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000562415596 565028811 /nfs/dbraw/zinc/02/88/11/565028811.db2.gz ZCXGAUBJLDYJMV-SECBINFHSA-N 0 0 380.198 2.798 20 5 GFBDRN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000537208317 565055107 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Cc1noc(CSCc2ccc(S(=O)(=O)N(C)C)s2)c1[N+](=O)[O-] ZINC000596376441 565522240 /nfs/dbraw/zinc/52/22/40/565522240.db2.gz SHXKUADASMPFCU-UHFFFAOYSA-N 0 0 377.469 2.636 20 5 GFBDRN CNC(=O)CC1(CNc2c(Br)cncc2[N+](=O)[O-])CCCCC1 ZINC000596524130 565526103 /nfs/dbraw/zinc/52/61/03/565526103.db2.gz PXKCGIOOMKBYAZ-UHFFFAOYSA-N 0 0 385.262 2.673 20 5 GFBDRN O=C1[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000596562213 565527374 /nfs/dbraw/zinc/52/73/74/565527374.db2.gz PFVOPHRPRMTUGG-GFCCVEGCSA-N 0 0 383.246 2.520 20 5 GFBDRN COC(=O)[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000596888350 565539948 /nfs/dbraw/zinc/53/99/48/565539948.db2.gz OSQQOHSAYLDLAE-CZMCAQCFSA-N 0 0 386.202 2.739 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000597579591 565564729 /nfs/dbraw/zinc/56/47/29/565564729.db2.gz MVPCHQKTPDMXRT-UONOGXRCSA-N 0 0 386.221 2.616 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000597630092 565568941 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CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851124242 661807443 /nfs/dbraw/zinc/80/74/43/661807443.db2.gz QOEWZSSOFFWRDY-UHFFFAOYSA-N 0 0 392.861 2.583 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC2SCCS2)c1Cl ZINC000851835069 661837073 /nfs/dbraw/zinc/83/70/73/661837073.db2.gz CYORSNIXEWUTHY-UHFFFAOYSA-N 0 0 389.307 2.986 20 5 GFBDRN C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851856916 661839414 /nfs/dbraw/zinc/83/94/14/661839414.db2.gz IRBHDRPZDVCZHA-ABAIWWIYSA-N 0 0 384.841 2.691 20 5 GFBDRN O=[N+]([O-])c1cccc(N2CCN(c3ncnc(F)c3Br)CC2)c1 ZINC000853168033 661884424 /nfs/dbraw/zinc/88/44/24/661884424.db2.gz JHZQDIJRIBLYKF-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000853553023 661892223 /nfs/dbraw/zinc/89/22/23/661892223.db2.gz LVLQMIOEQHTXDU-GFCCVEGCSA-N 0 0 375.397 2.537 20 5 GFBDRN CC(C)(C)N1CC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853746664 661899152 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C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246344130 553106305 /nfs/dbraw/zinc/10/63/05/553106305.db2.gz FGYNQASWPKHQEP-WBMJQRKESA-N 0 0 382.463 2.948 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246574321 553109868 /nfs/dbraw/zinc/10/98/68/553109868.db2.gz IIYPMWFMUIHBEJ-YHBNFXLMSA-N 0 0 394.902 2.606 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247662362 553124713 /nfs/dbraw/zinc/12/47/13/553124713.db2.gz QCQFARZMRLPFKG-BXUZGUMPSA-N 0 0 384.845 2.717 20 5 GFBDRN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000252671482 553150442 /nfs/dbraw/zinc/15/04/42/553150442.db2.gz VXFWDBWZQDGUPD-NHYWBVRUSA-N 0 0 382.258 2.914 20 5 GFBDRN CC(C)(CCC(=O)NCc1cc(Br)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000294785364 563216965 /nfs/dbraw/zinc/21/69/65/563216965.db2.gz SEKGZCZPQBCGKV-UHFFFAOYSA-N 0 0 387.230 2.672 20 5 GFBDRN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[S@](=O)C1 ZINC000277661980 563219609 /nfs/dbraw/zinc/21/96/09/563219609.db2.gz UASXPKIZPUFGSC-WYVULQQZSA-N 0 0 376.887 2.567 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCn3c(CC(F)(F)F)nnc3C2)ccc1Cl ZINC000369677211 563221176 /nfs/dbraw/zinc/22/11/76/563221176.db2.gz WBLHQOHFKJEAHL-UHFFFAOYSA-N 0 0 375.738 2.960 20 5 GFBDRN Cc1cc(Cl)c(C(=O)NCCC2N=NC(=S)N2C(C)C)cc1[N+](=O)[O-] ZINC000295050000 563226617 /nfs/dbraw/zinc/22/66/17/563226617.db2.gz JYIHBFVXDFTNOQ-UHFFFAOYSA-N 0 0 383.861 2.990 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[C@H]1O ZINC000295046908 563226758 /nfs/dbraw/zinc/22/67/58/563226758.db2.gz BDEBEILMMORGCU-SNVBAGLBSA-N 0 0 383.253 2.683 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1NCCC1CC(F)(F)C1 ZINC000418960384 563231509 /nfs/dbraw/zinc/23/15/09/563231509.db2.gz FXFBUYIVJRDVGS-UHFFFAOYSA-N 0 0 383.136 2.864 20 5 GFBDRN CC[C@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCCO1 ZINC000418947047 563231557 /nfs/dbraw/zinc/23/15/57/563231557.db2.gz NJJDVGSHKJSCNG-VIFPVBQESA-N 0 0 377.182 2.600 20 5 GFBDRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCC2(CCOC2=O)CC1 ZINC000370084190 563232486 /nfs/dbraw/zinc/23/24/86/563232486.db2.gz XMVUZCBZRQASGD-UHFFFAOYSA-N 0 0 383.198 2.527 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCC2(CCOC2=O)CC1 ZINC000370081773 563232602 /nfs/dbraw/zinc/23/26/02/563232602.db2.gz HOMUQNOCMHTKGJ-UHFFFAOYSA-N 0 0 383.198 2.527 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1c1cccc(Br)c1 ZINC000370240180 563236838 /nfs/dbraw/zinc/23/68/38/563236838.db2.gz YZCVCRJXCOCQMR-ZDUSSCGKSA-N 0 0 377.198 2.922 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCOC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000370257408 563237648 /nfs/dbraw/zinc/23/76/48/563237648.db2.gz UVLRURSINFKEPY-ZDUSSCGKSA-N 0 0 386.813 2.912 20 5 GFBDRN CC(C)n1cnnc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000295452134 563248308 /nfs/dbraw/zinc/24/83/08/563248308.db2.gz XKRMLIPXGKFPHF-UHFFFAOYSA-N 0 0 382.218 2.802 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000295663044 563256738 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Cc1c(NC(=O)N[C@@H](C)C(=O)N2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000282059232 563395821 /nfs/dbraw/zinc/39/58/21/563395821.db2.gz VWVIUABMKXUJIO-JTQLQIEISA-N 0 0 399.245 2.798 20 5 GFBDRN CCN1CCC(N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301241252 563398031 /nfs/dbraw/zinc/39/80/31/563398031.db2.gz GDBUUXYRECLERM-UHFFFAOYSA-N 0 0 377.413 2.512 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H]1CCC[C@H](O)C1 ZINC000301388117 563402290 /nfs/dbraw/zinc/40/22/90/563402290.db2.gz DSDZROSOGBBAHQ-ZJUUUORDSA-N 0 0 382.360 2.851 20 5 GFBDRN Cc1ccc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000301431758 563403577 /nfs/dbraw/zinc/40/35/77/563403577.db2.gz GZZVREZDFUATCY-UHFFFAOYSA-N 0 0 381.479 2.912 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCCCO[C@@H]1CCOC1 ZINC000301622941 563409051 /nfs/dbraw/zinc/40/90/51/563409051.db2.gz YPPTZYJRUKBSJR-LLVKDONJSA-N 0 0 392.193 2.807 20 5 GFBDRN CCC(=O)N1CC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301653110 563409580 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378.397 2.578 20 5 GFBDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000282676038 563420947 /nfs/dbraw/zinc/42/09/47/563420947.db2.gz JFCLDGAKKZVKKI-ZDUSSCGKSA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1cc(NCC2CCS(=O)(=O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302712335 563428363 /nfs/dbraw/zinc/42/83/63/563428363.db2.gz XEFDVMYXNLUEDT-UHFFFAOYSA-N 0 0 377.260 2.902 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000302744003 563429118 /nfs/dbraw/zinc/42/91/18/563429118.db2.gz RMTZLIGLUMQOSY-CYBMUJFWSA-N 0 0 387.527 2.957 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)c1ccco1 ZINC000283308003 563441214 /nfs/dbraw/zinc/44/12/14/563441214.db2.gz ALNYNLBMNNJEPW-HNNXBMFYSA-N 0 0 383.198 2.896 20 5 GFBDRN Cc1nccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000283456105 563445406 /nfs/dbraw/zinc/44/54/06/563445406.db2.gz FIRMYLVMUCNKIE-UHFFFAOYSA-N 0 0 393.252 2.775 20 5 GFBDRN Cc1ncc2c(n1)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000376550176 563446338 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QUDOMPSICFUNMD-CYBMUJFWSA-N 0 0 384.845 2.688 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Cl)s1 ZINC000439746692 563731450 /nfs/dbraw/zinc/73/14/50/563731450.db2.gz NWKNKBDXRTZRJZ-UHFFFAOYSA-N 0 0 383.813 2.963 20 5 GFBDRN O=C1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2cccc(F)c2N1 ZINC000364320818 563749172 /nfs/dbraw/zinc/74/91/72/563749172.db2.gz DKFIMMAMRPUAMG-UHFFFAOYSA-N 0 0 385.760 2.535 20 5 GFBDRN C[C@H](CO[C@@H]1CCOC1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000441813743 563764442 /nfs/dbraw/zinc/76/44/42/563764442.db2.gz NLFKMLZFNXFWMV-ZYHUDNBSSA-N 0 0 396.241 2.933 20 5 GFBDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292029081 563770445 /nfs/dbraw/zinc/77/04/45/563770445.db2.gz KKUOPEROFOQXMV-HTQZYQBOSA-N 0 0 383.253 2.795 20 5 GFBDRN O=C(N[C@H](CO)C1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292041459 563771342 /nfs/dbraw/zinc/77/13/42/563771342.db2.gz RLDDSPUIXREXNW-LLVKDONJSA-N 0 0 375.194 2.777 20 5 GFBDRN O=C(N[C@@H]1CC[S@@](=O)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442678039 563776363 /nfs/dbraw/zinc/77/63/63/563776363.db2.gz CRVBZGUDVUXIGU-XELLLNAOSA-N 0 0 376.459 2.997 20 5 GFBDRN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365198030 563777283 /nfs/dbraw/zinc/77/72/83/563777283.db2.gz PKVJBKMUKYZGAW-SKDRFNHKSA-N 0 0 383.223 2.807 20 5 GFBDRN C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000292487818 563788620 /nfs/dbraw/zinc/78/86/20/563788620.db2.gz OAIMCRXKLHTXTL-YUMQZZPRSA-N 0 0 381.237 2.549 20 5 GFBDRN CC(C)c1ncc(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000443088807 563791259 /nfs/dbraw/zinc/79/12/59/563791259.db2.gz BVPMMYJSOGBICH-UHFFFAOYSA-N 0 0 384.845 2.982 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCn2c(CC(F)(F)F)nnc2C1 ZINC000365867671 563795436 /nfs/dbraw/zinc/79/54/36/563795436.db2.gz ZZGPKPOWXQWCFY-UHFFFAOYSA-N 0 0 375.738 2.960 20 5 GFBDRN O=C(Cc1ccccc1Cl)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000443469736 563806153 /nfs/dbraw/zinc/80/61/53/563806153.db2.gz SIMZWIMTCPUDFM-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000293293061 563807159 /nfs/dbraw/zinc/80/71/59/563807159.db2.gz AXBBJOXRCSLWGG-SECBINFHSA-N 0 0 388.193 2.565 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CCOC2=O)CC1 ZINC000366458269 563809337 /nfs/dbraw/zinc/80/93/37/563809337.db2.gz SLCLJEIOVYVDMC-UHFFFAOYSA-N 0 0 383.198 2.527 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000443746838 563811120 /nfs/dbraw/zinc/81/11/20/563811120.db2.gz MEJOILLMPUZRTR-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000416381989 563820443 /nfs/dbraw/zinc/82/04/43/563820443.db2.gz BTXPZXKMNGKPPJ-VIFPVBQESA-N 0 0 382.360 2.802 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000416388991 563821888 /nfs/dbraw/zinc/82/18/88/563821888.db2.gz MGFZLODNNSIOTM-GXSJLCMTSA-N 0 0 382.360 2.802 20 5 GFBDRN Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000444403787 563831387 /nfs/dbraw/zinc/83/13/87/563831387.db2.gz OQTBGPXHHXCHPL-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)O ZINC000416467862 563833458 /nfs/dbraw/zinc/83/34/58/563833458.db2.gz CXDPBJYBGOMZPJ-LBPRGKRZSA-N 0 0 384.376 2.687 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000416511562 563841299 /nfs/dbraw/zinc/84/12/99/563841299.db2.gz YCJOYPNCCDGRNK-UKRRQHHQSA-N 0 0 382.463 2.996 20 5 GFBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)nc1Cl ZINC000294384718 563841304 /nfs/dbraw/zinc/84/13/04/563841304.db2.gz PKKVXIOZWULCLK-SSDOTTSWSA-N 0 0 377.710 2.736 20 5 GFBDRN CC(C)CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416521148 563841990 /nfs/dbraw/zinc/84/19/90/563841990.db2.gz NDQDOBHQRSOWRH-UHFFFAOYSA-N 0 0 386.861 2.829 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(Cc3cccnc3)CC2)s1 ZINC000367484212 563846426 /nfs/dbraw/zinc/84/64/26/563846426.db2.gz GZAHDZSXPQZSTE-UHFFFAOYSA-N 0 0 381.479 2.914 20 5 GFBDRN Cc1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc(S(N)(=O)=O)c1C ZINC000445478498 563849702 /nfs/dbraw/zinc/84/97/02/563849702.db2.gz RGEDLDZGNSDCMF-UHFFFAOYSA-N 0 0 380.407 2.638 20 5 GFBDRN Cn1cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)ccc1=O ZINC000445609641 563850808 /nfs/dbraw/zinc/85/08/08/563850808.db2.gz XUGPUHIZOLIKIT-UHFFFAOYSA-N 0 0 377.154 2.773 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(I)cc2)n1 ZINC000445577199 563851015 /nfs/dbraw/zinc/85/10/15/563851015.db2.gz ODGUVNBTZORFEL-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)[C@H](C)O1 ZINC000446079348 563857981 /nfs/dbraw/zinc/85/79/81/563857981.db2.gz JFSRXXIUYUMHLX-VWYCJHECSA-N 0 0 386.246 2.794 20 5 GFBDRN Cc1ncccc1OC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416670616 563859972 /nfs/dbraw/zinc/85/99/72/563859972.db2.gz LWCCMPYCSSQPIW-GFCCVEGCSA-N 0 0 383.451 2.592 20 5 GFBDRN Cc1c(NC(=O)N[C@@H](C)C(=O)NC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000417075730 563867572 /nfs/dbraw/zinc/86/75/72/563867572.db2.gz MBACYENDDSGOSG-VIFPVBQESA-N 0 0 387.234 2.700 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCOCC2)c(C(F)(F)F)c1 ZINC000447016332 563872496 /nfs/dbraw/zinc/87/24/96/563872496.db2.gz JIGPKKZTBPUFCQ-UHFFFAOYSA-N 0 0 382.360 2.709 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N)(C(F)(F)F)CC1 ZINC000368645829 563876584 /nfs/dbraw/zinc/87/65/84/563876584.db2.gz HRBCDYKYNGQNCI-UHFFFAOYSA-N 0 0 381.738 2.895 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCN1c1cccc(Br)c1 ZINC000447678274 563884257 /nfs/dbraw/zinc/88/42/57/563884257.db2.gz JSCOKBWMUPQOAX-CYBMUJFWSA-N 0 0 377.198 2.970 20 5 GFBDRN O=C1[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1c1cccc(Br)c1 ZINC000447675916 563884259 /nfs/dbraw/zinc/88/42/59/563884259.db2.gz ANWJQUHYROKFHH-LBPRGKRZSA-N 0 0 377.198 2.970 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nnc(NC(C)=O)s1 ZINC000447817853 563887051 /nfs/dbraw/zinc/88/70/51/563887051.db2.gz SPAWVHLDZKHWDI-UHFFFAOYSA-N 0 0 388.814 2.996 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447938150 563891427 /nfs/dbraw/zinc/89/14/27/563891427.db2.gz DYRXUIAJNHFAOE-NSHDSACASA-N 0 0 394.902 2.781 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000538273051 564186447 /nfs/dbraw/zinc/18/64/47/564186447.db2.gz GDOAXNYUQHMIRM-UHFFFAOYSA-N 0 0 393.241 2.756 20 5 GFBDRN O=C(N[C@@H]1COc2ccccc2C1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538310012 564187316 /nfs/dbraw/zinc/18/73/16/564187316.db2.gz RLEMGAIPRQOZBU-GFCCVEGCSA-N 0 0 391.177 2.731 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1CNCc1nn(C)cc1I ZINC000449607507 564193776 /nfs/dbraw/zinc/19/37/76/564193776.db2.gz XUSKDUKFOMUQCR-UHFFFAOYSA-N 0 0 386.193 2.531 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000506396056 564202322 /nfs/dbraw/zinc/20/23/22/564202322.db2.gz QCGXFTYXKIEEHB-UHFFFAOYSA-N 0 0 389.108 2.889 20 5 GFBDRN COC(=O)[C@@H](CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000563712563 564203494 /nfs/dbraw/zinc/20/34/94/564203494.db2.gz FAFGMBHTBUSMLH-LBPRGKRZSA-N 0 0 395.209 2.866 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000564154146 564222814 /nfs/dbraw/zinc/22/28/14/564222814.db2.gz YPYOCIPWOOVMTN-LBPRGKRZSA-N 0 0 387.889 2.542 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000472752342 564232950 /nfs/dbraw/zinc/23/29/50/564232950.db2.gz NVFOJZJAHSCMGD-SNVBAGLBSA-N 0 0 391.521 2.900 20 5 GFBDRN COC(=O)CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000450541822 564237740 /nfs/dbraw/zinc/23/77/40/564237740.db2.gz UFXUSXGZLVIMPF-LLVKDONJSA-N 0 0 386.246 2.654 20 5 GFBDRN C[C@H]1C[C@H](O)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000472993453 564238394 /nfs/dbraw/zinc/23/83/94/564238394.db2.gz ZDZHKXWSMAUQHR-WPRPVWTQSA-N 0 0 385.207 2.683 20 5 GFBDRN CCOC(=O)c1sc(Sc2nc(C(=O)OC)ccc2[N+](=O)[O-])nc1C ZINC000450637221 564242521 /nfs/dbraw/zinc/24/25/21/564242521.db2.gz GKFLXXTVUWOKML-UHFFFAOYSA-N 0 0 383.407 2.869 20 5 GFBDRN CC1(C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000564761951 564248242 /nfs/dbraw/zinc/24/82/42/564248242.db2.gz IVDQMTWMESXAIW-CYBMUJFWSA-N 0 0 396.241 2.943 20 5 GFBDRN CC1(C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000564761952 564248286 /nfs/dbraw/zinc/24/82/86/564248286.db2.gz IVDQMTWMESXAIW-ZDUSSCGKSA-N 0 0 396.241 2.943 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000540847698 564257823 /nfs/dbraw/zinc/25/78/23/564257823.db2.gz GDSVLYFTKYDIKO-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn2cc(Br)ccc2n1 ZINC000474346664 564275014 /nfs/dbraw/zinc/27/50/14/564275014.db2.gz JRDREOMIVKVKCH-UHFFFAOYSA-N 0 0 383.589 2.868 20 5 GFBDRN CSc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000474353491 564275142 /nfs/dbraw/zinc/27/51/42/564275142.db2.gz OTAXMQQHCDGUEM-UHFFFAOYSA-N 0 0 398.238 2.880 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ncccn1 ZINC000509126926 564282840 /nfs/dbraw/zinc/28/28/40/564282840.db2.gz WHYJOBVOTSFQEZ-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000541647590 564285257 /nfs/dbraw/zinc/28/52/57/564285257.db2.gz XXNVMTISLBJHJJ-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000541924905 564294418 /nfs/dbraw/zinc/29/44/18/564294418.db2.gz QWHAAKALWRVXFT-DGCLKSJQSA-N 0 0 377.198 2.852 20 5 GFBDRN COC(=O)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000475317368 564306016 /nfs/dbraw/zinc/30/60/16/564306016.db2.gz ZSNKRWOLEUDDMZ-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN Cc1c(Br)c(N2CCCC[C@H]2[C@H]2CNC(=O)C2)ncc1[N+](=O)[O-] ZINC000542508178 564316331 /nfs/dbraw/zinc/31/63/31/564316331.db2.gz XGMSDHIPUPACRB-MNOVXSKESA-N 0 0 383.246 2.556 20 5 GFBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCS(=O)(=O)C[C@H]2C2CC2)c1 ZINC000451509548 564320867 /nfs/dbraw/zinc/32/08/67/564320867.db2.gz NZJKIEJMMUZXEI-AWEZNQCLSA-N 0 0 378.372 2.623 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCC[C@H](O)C(F)(F)F ZINC000542833384 564327590 /nfs/dbraw/zinc/32/75/90/564327590.db2.gz ZBVKDPOGBKKVSX-VIFPVBQESA-N 0 0 390.099 2.925 20 5 GFBDRN C[C@@]1(F)CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000451600158 564330127 /nfs/dbraw/zinc/33/01/27/564330127.db2.gz QELFMTKLXYAAMW-GFCCVEGCSA-N 0 0 381.223 2.870 20 5 GFBDRN CCCN(CCN1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510507618 564336541 /nfs/dbraw/zinc/33/65/41/564336541.db2.gz IMWLJEFTMNJELN-UHFFFAOYSA-N 0 0 375.516 2.851 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000543148261 564340050 /nfs/dbraw/zinc/34/00/50/564340050.db2.gz ACRPHGZCBVXQEQ-JTQLQIEISA-N 0 0 398.257 2.617 20 5 GFBDRN CC(=O)Nc1cccc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000543148670 564340057 /nfs/dbraw/zinc/34/00/57/564340057.db2.gz KKFOCFZQOOFWKY-UHFFFAOYSA-N 0 0 380.198 2.834 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476562719 564344817 /nfs/dbraw/zinc/34/48/17/564344817.db2.gz DEROFBMLVUNZDE-OTYXRUKQSA-N 0 0 390.845 2.519 20 5 GFBDRN Cc1c(NC(=O)c2ccnc3c2nnn3C)cc(Br)cc1[N+](=O)[O-] ZINC000510814287 564347310 /nfs/dbraw/zinc/34/73/10/564347310.db2.gz JXDBXLKZJPLSCZ-UHFFFAOYSA-N 0 0 391.185 2.595 20 5 GFBDRN Cc1nc(C)n(CCCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000451758407 564349000 /nfs/dbraw/zinc/34/90/00/564349000.db2.gz JIRJTTUEUANTKC-UHFFFAOYSA-N 0 0 382.218 2.985 20 5 GFBDRN Cc1c(Br)c(Nc2ccc3n[nH]c(C(N)=O)c3c2)ncc1[N+](=O)[O-] ZINC000543434738 564350330 /nfs/dbraw/zinc/35/03/30/564350330.db2.gz IHPJKAAENXTZPW-UHFFFAOYSA-N 0 0 391.185 2.780 20 5 GFBDRN Cc1c(Br)c(N2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543438620 564350778 /nfs/dbraw/zinc/35/07/78/564350778.db2.gz QKRVOHOABMGSRF-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOc2ncc(Br)cc21 ZINC000543502396 564352630 /nfs/dbraw/zinc/35/26/30/564352630.db2.gz ZNVYHQFNQGYQAT-UHFFFAOYSA-N 0 0 394.181 2.557 20 5 GFBDRN CC(C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824839 564356233 /nfs/dbraw/zinc/35/62/33/564356233.db2.gz PPPRHLGUANSLEA-SMDDNHRTSA-N 0 0 376.862 2.978 20 5 GFBDRN CCn1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000451896714 564363789 /nfs/dbraw/zinc/36/37/89/564363789.db2.gz SMDBBDVUEUAUAI-JTQLQIEISA-N 0 0 396.245 2.863 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccc(Br)cn2[nH]1 ZINC000511299243 564366541 /nfs/dbraw/zinc/36/65/41/564366541.db2.gz BVMJWZDCWDXYPF-UHFFFAOYSA-N 0 0 375.182 2.988 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)cn1 ZINC000477151091 564367021 /nfs/dbraw/zinc/36/70/21/564367021.db2.gz NKLAJAJPEFWZSA-UHFFFAOYSA-N 0 0 380.184 2.914 20 5 GFBDRN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCSC[C@H]1CCO ZINC000511349456 564369246 /nfs/dbraw/zinc/36/92/46/564369246.db2.gz FKYLHPHHXLKDOE-CYBMUJFWSA-N 0 0 379.463 2.658 20 5 GFBDRN O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000567437933 564372083 /nfs/dbraw/zinc/37/20/83/564372083.db2.gz MLKJGSQTAVBJBW-NEPJUHHUSA-N 0 0 378.182 2.744 20 5 GFBDRN C[C@@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512448 564375354 /nfs/dbraw/zinc/37/53/54/564375354.db2.gz UQIXJHOMAVVHGK-OCCSQVGLSA-N 0 0 381.479 2.598 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(Cc3ccc(F)c(Br)c3)no2)n1 ZINC000544402174 564385044 /nfs/dbraw/zinc/38/50/44/564385044.db2.gz IVULVLZXVVTRLD-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Cl)c1 ZINC000544483115 564387683 /nfs/dbraw/zinc/38/76/83/564387683.db2.gz UJCLAJBLHASREP-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452096792 564392140 /nfs/dbraw/zinc/39/21/40/564392140.db2.gz XQDAZJDGQZTDIR-OAHLLOKOSA-N 0 0 382.463 2.839 20 5 GFBDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000478113105 564394957 /nfs/dbraw/zinc/39/49/57/564394957.db2.gz JBTBWEAYOZKXHV-MRVPVSSYSA-N 0 0 385.193 2.591 20 5 GFBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCCn1ccc([N+](=O)[O-])n1 ZINC000478713172 564412565 /nfs/dbraw/zinc/41/25/65/564412565.db2.gz BTRWRZGWCVITRL-UHFFFAOYSA-N 0 0 376.316 2.784 20 5 GFBDRN COC(=O)c1ccc(C(F)(F)F)nc1SCc1c([N+](=O)[O-])ncn1C ZINC000478724961 564414029 /nfs/dbraw/zinc/41/40/29/564414029.db2.gz SRQYERNPQZHYJS-UHFFFAOYSA-N 0 0 376.316 2.821 20 5 GFBDRN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000512925510 564416139 /nfs/dbraw/zinc/41/61/39/564416139.db2.gz IOMYAXOITOEQRK-CQSZACIVSA-N 0 0 383.495 2.800 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000478903860 564418232 /nfs/dbraw/zinc/41/82/32/564418232.db2.gz RPOHRCKASBOUGV-KOLCDFICSA-N 0 0 382.360 2.955 20 5 GFBDRN CS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479412298 564439031 /nfs/dbraw/zinc/43/90/31/564439031.db2.gz ANDUBPUYIAJNJT-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1COC1 ZINC000452970400 564439463 /nfs/dbraw/zinc/43/94/63/564439463.db2.gz FJRABVVCIIBCOP-UHFFFAOYSA-N 0 0 385.207 2.948 20 5 GFBDRN O=C(CNC(=O)Cc1cccc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000479475793 564441726 /nfs/dbraw/zinc/44/17/26/564441726.db2.gz WIQXRWJZRSOOPC-UHFFFAOYSA-N 0 0 392.209 2.655 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000569065732 564447366 /nfs/dbraw/zinc/44/73/66/564447366.db2.gz KOZXXURRDZPKLY-NEPJUHHUSA-N 0 0 379.214 2.860 20 5 GFBDRN NS(=O)(=O)c1cccc(NC[C@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000546759579 564466470 /nfs/dbraw/zinc/46/64/70/564466470.db2.gz DOADXKJMYDIVOD-CQSZACIVSA-N 0 0 379.463 2.685 20 5 GFBDRN CCOC(=O)c1cccc(Sc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c1 ZINC000480581899 564478261 /nfs/dbraw/zinc/47/82/61/564478261.db2.gz NYBDOZFYYDKRCY-UHFFFAOYSA-N 0 0 382.419 2.570 20 5 GFBDRN COc1ncc(Br)cc1Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000547171145 564479550 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GFBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Br)cc1F ZINC000570892995 564525968 /nfs/dbraw/zinc/52/59/68/564525968.db2.gz KGVCTTJUOQPNES-SSDOTTSWSA-N 0 0 383.177 2.965 20 5 GFBDRN Cc1[nH]c(=O)c(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1Br ZINC000548306269 564548085 /nfs/dbraw/zinc/54/80/85/564548085.db2.gz DJOGSXKNRJJDMN-UHFFFAOYSA-N 0 0 392.209 2.965 20 5 GFBDRN C[C@H](O)CN(CC(F)F)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455398884 564552555 /nfs/dbraw/zinc/55/25/55/564552555.db2.gz IMWBSIFHPAVXHW-ZETCQYMHSA-N 0 0 382.161 2.837 20 5 GFBDRN CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000455400778 564552787 /nfs/dbraw/zinc/55/27/87/564552787.db2.gz LFORUDRUVQLCLG-UWVGGRQHSA-N 0 0 382.161 2.883 20 5 GFBDRN C[C@H](Cc1cnn(C)c1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455403465 564552812 /nfs/dbraw/zinc/55/28/12/564552812.db2.gz PRPHSKOUNFUWMB-SECBINFHSA-N 0 0 382.218 2.844 20 5 GFBDRN CCO[C@H]1C[C@@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000518891649 564564728 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Cc1nnc(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000572807428 564610913 /nfs/dbraw/zinc/61/09/13/564610913.db2.gz YTYHVXPJJRLUHQ-UHFFFAOYSA-N 0 0 375.435 2.851 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000485430307 564615351 /nfs/dbraw/zinc/61/53/51/564615351.db2.gz LVLPLKBZGQYAAT-CYBMUJFWSA-N 0 0 398.213 2.569 20 5 GFBDRN O=[N+]([O-])c1ccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000521107352 564619022 /nfs/dbraw/zinc/61/90/22/564619022.db2.gz PEIUTHXCTYEKDH-GFCCVEGCSA-N 0 0 387.889 2.542 20 5 GFBDRN O=C(NC[C@@H](CO)c1cccnc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485635885 564621983 /nfs/dbraw/zinc/62/19/83/564621983.db2.gz UCVNRPKKVVCUNS-NSHDSACASA-N 0 0 395.213 2.650 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456717726 564628478 /nfs/dbraw/zinc/62/84/78/564628478.db2.gz XPKXONUFWPGVPW-CPCISQLKSA-N 0 0 397.147 2.743 20 5 GFBDRN CSC[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550657076 564628491 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COc1c(S(=O)(=O)N2CCC[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493770968 564810521 /nfs/dbraw/zinc/81/05/21/564810521.db2.gz XIUFBJFHTOZKCW-QMMMGPOBSA-N 0 0 393.259 2.847 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)S1 ZINC000556049114 564811218 /nfs/dbraw/zinc/81/12/18/564811218.db2.gz JVPBNEWEVHCKJE-RKDXNWHRSA-N 0 0 395.300 2.872 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN(C2CCC2)CC1 ZINC000462132144 564822311 /nfs/dbraw/zinc/82/23/11/564822311.db2.gz CXBBVRQGRBJZGA-UHFFFAOYSA-N 0 0 394.280 2.760 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000582079637 564830172 /nfs/dbraw/zinc/83/01/72/564830172.db2.gz RRVSIHLMAWHMTL-LLVKDONJSA-N 0 0 386.495 2.791 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCCCF ZINC000462355071 564835416 /nfs/dbraw/zinc/83/54/16/564835416.db2.gz FFUBUIUSLJVZCH-UHFFFAOYSA-N 0 0 380.157 2.987 20 5 GFBDRN Cn1nc2c(c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CCCC2 ZINC000462371002 564836413 /nfs/dbraw/zinc/83/64/13/564836413.db2.gz OTUKBYJNYBNUOO-UHFFFAOYSA-N 0 0 393.241 2.900 20 5 GFBDRN CC(C)CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462471734 564842903 /nfs/dbraw/zinc/84/29/03/564842903.db2.gz GMLXXZZEDLBFGV-UHFFFAOYSA-N 0 0 396.296 2.864 20 5 GFBDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000494876850 564842986 /nfs/dbraw/zinc/84/29/86/564842986.db2.gz INWQCGZUGHSDNU-VIFPVBQESA-N 0 0 382.360 2.849 20 5 GFBDRN O=c1oc2cccnc2n1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582515199 564850386 /nfs/dbraw/zinc/85/03/86/564850386.db2.gz DOPMJPZWAWLRLO-UHFFFAOYSA-N 0 0 397.128 2.551 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3cccc(Br)c3)CCC2)n1 ZINC000495290301 564852905 /nfs/dbraw/zinc/85/29/05/564852905.db2.gz NUOASWIQXPIKKN-UHFFFAOYSA-N 0 0 379.214 2.900 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](O)C12CCCC2 ZINC000495530933 564854496 /nfs/dbraw/zinc/85/44/96/564854496.db2.gz PIWSJSRZXNVPFT-AWEZNQCLSA-N 0 0 383.242 2.806 20 5 GFBDRN CC(C)CCSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000462948562 564863820 /nfs/dbraw/zinc/86/38/20/564863820.db2.gz WFSGYZIYVZXEBY-UHFFFAOYSA-N 0 0 387.527 2.669 20 5 GFBDRN O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000557596189 564869451 /nfs/dbraw/zinc/86/94/51/564869451.db2.gz QEPXIZYMHFOIFR-LBPRGKRZSA-N 0 0 386.191 2.856 20 5 GFBDRN O=[N+]([O-])c1ccc(Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)cn1 ZINC000497744488 564874823 /nfs/dbraw/zinc/87/48/23/564874823.db2.gz RMTXRWGBYSNGQM-UHFFFAOYSA-N 0 0 380.451 2.711 20 5 GFBDRN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000497922158 564879043 /nfs/dbraw/zinc/87/90/43/564879043.db2.gz LEALFOQSBRUMTG-CHWSQXEVSA-N 0 0 388.511 2.747 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](c1cncc(Br)c1)C1CC1 ZINC000498583415 564903456 /nfs/dbraw/zinc/90/34/56/564903456.db2.gz JXKHZXXLMOQYGY-AWEZNQCLSA-N 0 0 392.213 2.842 20 5 GFBDRN CN(CCOc1ccc(Br)cc1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000584070035 564919137 /nfs/dbraw/zinc/91/91/37/564919137.db2.gz PLWGATIOVSTBOW-UHFFFAOYSA-N 0 0 394.225 2.971 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](CO)c1ccccc1Cl ZINC000584075062 564920074 /nfs/dbraw/zinc/92/00/74/564920074.db2.gz PVVFLXKMVNNVIC-LLVKDONJSA-N 0 0 384.841 2.840 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000499640385 564932595 /nfs/dbraw/zinc/93/25/95/564932595.db2.gz GRFZVLUUWDJBPJ-SECBINFHSA-N 0 0 382.360 2.846 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000499675928 564933565 /nfs/dbraw/zinc/93/35/65/564933565.db2.gz LMYCSOYKBOCIKN-BMIGLBTASA-N 0 0 384.845 2.678 20 5 GFBDRN Cc1cc(Br)cnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532333361 564935220 /nfs/dbraw/zinc/93/52/20/564935220.db2.gz NOOZGYLIGDFQPW-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN COc1cc(CN2CCSC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000532352012 564935785 /nfs/dbraw/zinc/93/57/85/564935785.db2.gz QVLNKOKYHGGJKD-NSHDSACASA-N 0 0 378.397 2.505 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)NC(=O)NCC(C)C ZINC000532360769 564936005 /nfs/dbraw/zinc/93/60/05/564936005.db2.gz KZZYDQWSMYFDLT-UHFFFAOYSA-N 0 0 388.218 2.526 20 5 GFBDRN C[C@@H](CSc1nc2cc3ccccc3cc2c(=O)n1C)CS(C)(=O)=O ZINC000466746464 564946493 /nfs/dbraw/zinc/94/64/93/564946493.db2.gz TVFPWYFSJIJYRW-LBPRGKRZSA-N 0 0 376.503 2.860 20 5 GFBDRN CC(C)n1cc2c(n1)C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])CC2 ZINC000500279776 564949979 /nfs/dbraw/zinc/94/99/79/564949979.db2.gz GQTIXKOATNWQCR-LLVKDONJSA-N 0 0 380.246 2.921 20 5 GFBDRN COc1ccc(Cl)cc1CS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000500310753 564950503 /nfs/dbraw/zinc/95/05/03/564950503.db2.gz LDTQHNGDUMOZOP-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN Cc1nc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000533054938 564952936 /nfs/dbraw/zinc/95/29/36/564952936.db2.gz HLNXWHPGFVNFOW-UHFFFAOYSA-N 0 0 398.217 2.512 20 5 GFBDRN Cc1sc(S(=O)(=O)NC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000467064351 564953997 /nfs/dbraw/zinc/95/39/97/564953997.db2.gz VRLCBFUEGOGXSZ-UHFFFAOYSA-N 0 0 382.419 2.661 20 5 GFBDRN CCn1cc(S(=O)(=O)NCCc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000533635074 564968240 /nfs/dbraw/zinc/96/82/40/564968240.db2.gz HYWDTPCPFKPUHC-UHFFFAOYSA-N 0 0 393.252 2.639 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1 ZINC000533631679 564968340 /nfs/dbraw/zinc/96/83/40/564968340.db2.gz AOSYAKDQSVUPRI-VIFPVBQESA-N 0 0 387.487 2.605 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@@](C)=O)cc1 ZINC000533701938 564970925 /nfs/dbraw/zinc/97/09/25/564970925.db2.gz PLIFOUAHFMMTRV-VKTRGTBVSA-N 0 0 386.426 2.511 20 5 GFBDRN NC(=O)CSc1nnc(SCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000501136956 564972551 /nfs/dbraw/zinc/97/25/51/564972551.db2.gz VYMPHAGVTZAHPG-UHFFFAOYSA-N 0 0 376.872 2.969 20 5 GFBDRN CC(C)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1=O ZINC000501269518 564975110 /nfs/dbraw/zinc/97/51/10/564975110.db2.gz DBNMLDMEYVLXQT-AWEZNQCLSA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1cccc(C(=O)Nc2ccncc2I)c1[N+](=O)[O-] ZINC000501273003 564975323 /nfs/dbraw/zinc/97/53/23/564975323.db2.gz ZEFJDAJIPGQFPP-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000468342143 564982023 /nfs/dbraw/zinc/98/20/23/564982023.db2.gz QCAKICJMKHNDTB-UHFFFAOYSA-N 0 0 379.825 2.794 20 5 GFBDRN Nc1c(C(=O)NCc2cn3cc(Br)ccc3n2)cccc1[N+](=O)[O-] ZINC000468695712 564990539 /nfs/dbraw/zinc/99/05/39/564990539.db2.gz UCBNIIFEXAAKBM-UHFFFAOYSA-N 0 0 390.197 2.517 20 5 GFBDRN COc1cc(CCNC(=O)CSCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000535647013 565017386 /nfs/dbraw/zinc/01/73/86/565017386.db2.gz OIHFMQDNJCECCZ-UHFFFAOYSA-N 0 0 382.360 2.566 20 5 GFBDRN CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000503582240 565024255 /nfs/dbraw/zinc/02/42/55/565024255.db2.gz XLGKXDMKWDILPC-CQSZACIVSA-N 0 0 375.219 2.862 20 5 GFBDRN COc1c(S(=O)(=O)NCC[C@H](C)F)cc(Br)c(C)c1[N+](=O)[O-] ZINC000562630821 565036853 /nfs/dbraw/zinc/03/68/53/565036853.db2.gz WHFKZTXROGBLRT-ZETCQYMHSA-N 0 0 399.238 2.701 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1Cn1nnc(-c2ccc(Br)o2)n1 ZINC000504784159 565044410 /nfs/dbraw/zinc/04/44/10/565044410.db2.gz FSUGDGLPWKEYBR-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN Cc1c(CC(=O)N[C@@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000562858847 565045394 /nfs/dbraw/zinc/04/53/94/565045394.db2.gz UFMWGYJZCXWUCB-JTQLQIEISA-N 0 0 379.214 2.876 20 5 GFBDRN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000470457897 565046879 /nfs/dbraw/zinc/04/68/79/565046879.db2.gz GKCCADNMXWFXRX-NSHDSACASA-N 0 0 379.214 2.694 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000470608651 565050354 /nfs/dbraw/zinc/05/03/54/565050354.db2.gz ALPHKLRYOIOYAM-LBPRGKRZSA-N 0 0 392.861 2.893 20 5 GFBDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000470680838 565052978 /nfs/dbraw/zinc/05/29/78/565052978.db2.gz GGMDGVWNDHIOBQ-UHFFFAOYSA-N 0 0 377.348 2.660 20 5 GFBDRN CCc1ccc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000563136645 565056765 /nfs/dbraw/zinc/05/67/65/565056765.db2.gz ZUKGMIAZZVQREQ-DEOSSOPVSA-N 0 0 382.463 2.837 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000585760032 565109552 /nfs/dbraw/zinc/10/95/52/565109552.db2.gz JFGYPLLEHGRRQJ-ZANVPECISA-N 0 0 382.214 2.697 20 5 GFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000586772042 565116030 /nfs/dbraw/zinc/11/60/30/565116030.db2.gz IUKHEWUYVZAOJB-XCBNKYQSSA-N 0 0 388.751 2.589 20 5 GFBDRN Nc1cc(NCc2cc3c(c(Br)c2)OCO3)cc(CO)c1[N+](=O)[O-] ZINC000587510469 565120723 /nfs/dbraw/zinc/12/07/23/565120723.db2.gz HSGQMZWHPFHCKG-UHFFFAOYSA-N 0 0 396.197 2.773 20 5 GFBDRN O=C(N1CCCC1)N1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000588068954 565124518 /nfs/dbraw/zinc/12/45/18/565124518.db2.gz QOLLFUNMGFTVFJ-GFCCVEGCSA-N 0 0 398.261 2.844 20 5 GFBDRN Cc1cc(N2CCN(C[C@H]3CCCO3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616052816 565187306 /nfs/dbraw/zinc/18/73/06/565187306.db2.gz OLRXXOCYTYZODC-CYBMUJFWSA-N 0 0 384.274 2.967 20 5 GFBDRN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000590435587 565187915 /nfs/dbraw/zinc/18/79/15/565187915.db2.gz ZLEBHJLJMPYFBM-BXKDBHETSA-N 0 0 397.147 2.933 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000590874721 565208732 /nfs/dbraw/zinc/20/87/32/565208732.db2.gz NNOBTVBQFZFPTA-INIZCTEOSA-N 0 0 386.857 2.598 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCn2c(nnc2C(F)F)C1 ZINC000591845778 565242842 /nfs/dbraw/zinc/24/28/42/565242842.db2.gz XUVUMXJAXFFOCD-UHFFFAOYSA-N 0 0 388.172 2.902 20 5 GFBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)CCC[C@H]2CCOC2)cc1 ZINC000592039923 565248961 /nfs/dbraw/zinc/24/89/61/565248961.db2.gz JLGMGQDVLYCOEX-XJKSGUPXSA-N 0 0 386.495 2.789 20 5 GFBDRN CCn1cc(S(=O)(=O)NC2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])n1 ZINC000592100686 565255540 /nfs/dbraw/zinc/25/55/40/565255540.db2.gz UNBBUJOMBQJAPC-UHFFFAOYSA-N 0 0 384.845 2.822 20 5 GFBDRN CCN(CCSC)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592111920 565257974 /nfs/dbraw/zinc/25/79/74/565257974.db2.gz KCTZPYJOOXLQGH-UHFFFAOYSA-N 0 0 383.289 2.731 20 5 GFBDRN O=C(CN1CCOC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592156496 565260934 /nfs/dbraw/zinc/26/09/34/565260934.db2.gz VRNHUCBCPFENBU-OAHLLOKOSA-N 0 0 398.257 2.797 20 5 GFBDRN C[C@@H](CC(=O)NCCc1cccc([N+](=O)[O-])c1)n1cc(Br)cn1 ZINC000592612758 565285491 /nfs/dbraw/zinc/28/54/91/565285491.db2.gz VNGZNPQLQXNAPF-NSHDSACASA-N 0 0 381.230 2.864 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccccc3Br)CCC2)n1 ZINC000593197866 565319951 /nfs/dbraw/zinc/31/99/51/565319951.db2.gz YSLWLLIPZWCCGM-UHFFFAOYSA-N 0 0 379.214 2.900 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(Cn2cnnc2)CC1 ZINC000593302078 565325953 /nfs/dbraw/zinc/32/59/53/565325953.db2.gz DIVXKCJEGIEHTG-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN CNC(=O)CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593434649 565331163 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GFBDRN CC(C)(C)OCCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594847352 565429340 /nfs/dbraw/zinc/42/93/40/565429340.db2.gz DLOKGWDXGBHDTF-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN CO[C@@H](COc1ccc(I)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594895557 565434811 /nfs/dbraw/zinc/43/48/11/565434811.db2.gz LMNLXLMTFOSEEQ-ZANVPECISA-N 0 0 393.177 2.630 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595397776 565473812 /nfs/dbraw/zinc/47/38/12/565473812.db2.gz LQPZKIHHAKVQHC-ONGXEEELSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595397447 565474072 /nfs/dbraw/zinc/47/40/72/565474072.db2.gz WSPGBQOHTXWTMQ-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000595417303 565476984 /nfs/dbraw/zinc/47/69/84/565476984.db2.gz WLRYAHKQSQUKPO-NHYWBVRUSA-N 0 0 378.397 2.645 20 5 GFBDRN O=C(CN1CCO[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595884723 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COc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)ncc1Br ZINC000611194162 566120550 /nfs/dbraw/zinc/12/05/50/566120550.db2.gz CJWPZOWSSIJFOU-UHFFFAOYSA-N 0 0 396.197 2.566 20 5 GFBDRN O=C(NCCc1ccc(CO)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000611428362 566129131 /nfs/dbraw/zinc/12/91/31/566129131.db2.gz FGNRJLAPAWNHIP-UHFFFAOYSA-N 0 0 379.210 2.822 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2n[nH]c(-c3ccccc3)n2)s1 ZINC000611918218 566143908 /nfs/dbraw/zinc/14/39/08/566143908.db2.gz AQFLOPHGHOPLDP-UHFFFAOYSA-N 0 0 382.448 2.996 20 5 GFBDRN CCOC(=O)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)o1 ZINC000612447050 566162526 /nfs/dbraw/zinc/16/25/26/566162526.db2.gz WMZIWRHFAPVBOB-UHFFFAOYSA-N 0 0 384.186 2.864 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000737033606 598938887 /nfs/dbraw/zinc/93/88/87/598938887.db2.gz ZAHFQBXIZISIEH-UHFFFAOYSA-N 0 0 391.771 2.895 20 5 GFBDRN CN(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000736757409 599058544 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Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000737355540 598576248 /nfs/dbraw/zinc/57/62/48/598576248.db2.gz HKRSWPIVUHYGLX-INIZCTEOSA-N 0 0 393.407 2.691 20 5 GFBDRN O=C(CSc1ccc(-c2nn[nH]n2)cc1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000737946876 598657991 /nfs/dbraw/zinc/65/79/91/598657991.db2.gz IAKSCWZVEABGQP-UHFFFAOYSA-N 0 0 389.368 2.750 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000737295478 598720104 /nfs/dbraw/zinc/72/01/04/598720104.db2.gz YAEJNULKYIBWHZ-UHFFFAOYSA-N 0 0 391.347 2.589 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736299155 598735733 /nfs/dbraw/zinc/73/57/33/598735733.db2.gz SKAZMCSCGMRQKT-GFCCVEGCSA-N 0 0 378.392 2.685 20 5 GFBDRN Cn1c(-c2ccccc2)cnc1Sc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000822590194 599316848 /nfs/dbraw/zinc/31/68/48/599316848.db2.gz JSOLBIKAMFKYNZ-UHFFFAOYSA-N 0 0 380.393 2.722 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCNc2cccc3ccccc32)c(-c2nn[nH]n2)c1 ZINC000738375379 599325413 /nfs/dbraw/zinc/32/54/13/599325413.db2.gz ZUDYTXMHLWTCSI-UHFFFAOYSA-N 0 0 376.380 2.847 20 5 GFBDRN COc1ccc(CNc2cc(-c3nn[nH]n3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000821821758 599488086 /nfs/dbraw/zinc/48/80/86/599488086.db2.gz VMKIVIAEWYQQDH-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826428022 607416766 /nfs/dbraw/zinc/41/67/66/607416766.db2.gz LQYDPYORHFUIRN-UHFFFAOYSA-N 0 0 389.375 2.675 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738069051 600212933 /nfs/dbraw/zinc/21/29/33/600212933.db2.gz VORFNAPVBBLAQO-GOSISDBHSA-N 0 0 387.392 2.690 20 5 GFBDRN CCC1CCC([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)(C(=O)[O-])CC1 ZINC000829107982 601497544 /nfs/dbraw/zinc/49/75/44/601497544.db2.gz VAWOBKYOHOJJMY-UHFFFAOYSA-N 0 0 391.424 2.906 20 5 GFBDRN COc1ccccc1CC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826219539 607522728 /nfs/dbraw/zinc/52/27/28/607522728.db2.gz GSIJZUZERWHTIE-UHFFFAOYSA-N 0 0 388.771 2.618 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CC(=O)[O-])CCCCC1 ZINC000832481350 601878984 /nfs/dbraw/zinc/87/89/84/601878984.db2.gz CEHNMOPCFWSUIZ-UHFFFAOYSA-N 0 0 379.413 2.699 20 5 GFBDRN CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000830524414 602401155 /nfs/dbraw/zinc/40/11/55/602401155.db2.gz XROAZQAYTBJHLV-QGZVFWFLSA-N 0 0 383.404 2.640 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740174736 602432611 /nfs/dbraw/zinc/43/26/11/602432611.db2.gz LENXDGOXKTYVHY-FZKQIMNGSA-N 0 0 378.429 2.648 20 5 GFBDRN COc1ccc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nn[nH]n1 ZINC000826205792 607603830 /nfs/dbraw/zinc/60/38/30/607603830.db2.gz MZTRUOSIAGIJQZ-UHFFFAOYSA-N 0 0 394.347 2.622 20 5 GFBDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000825473909 603649340 /nfs/dbraw/zinc/64/93/40/603649340.db2.gz VXOXWGGHZHMZGX-OUJBWJOFSA-N 0 0 384.820 2.601 20 5 GFBDRN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000833623050 605096328 /nfs/dbraw/zinc/09/63/28/605096328.db2.gz DGJNQMNPGGLCIU-ZDUSSCGKSA-N 0 0 377.441 2.513 20 5 GFBDRN CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H]1C ZINC000833658036 605174387 /nfs/dbraw/zinc/17/43/87/605174387.db2.gz QEIAHGBTPRCPET-OLZOCXBDSA-N 0 0 395.481 2.716 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@@H]21 ZINC000834179232 605328369 /nfs/dbraw/zinc/32/83/69/605328369.db2.gz GWDNSLNHBFBWFO-FHLIZLRMSA-N 0 0 385.424 2.784 20 5 GFBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833233 605900624 /nfs/dbraw/zinc/90/06/24/605900624.db2.gz XBKRHAOTPGAWKT-IJLUTSLNSA-N 0 0 375.385 2.684 20 5 GFBDRN CSc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821979107 606238182 /nfs/dbraw/zinc/23/81/82/606238182.db2.gz PNEZPTHCAXUSOP-UHFFFAOYSA-N 0 0 391.438 2.538 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822228808 606448906 /nfs/dbraw/zinc/44/89/06/606448906.db2.gz GBALGRHZKKBSPU-OLZOCXBDSA-N 0 0 396.407 2.728 20 5 GFBDRN CN(Cc1cc(Br)cs1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821607328 606697905 /nfs/dbraw/zinc/69/79/05/606697905.db2.gz KCKQLBMVOAWIPN-UHFFFAOYSA-N 0 0 396.230 2.630 20 5 GFBDRN CCCCOc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1OC ZINC000821077629 606698199 /nfs/dbraw/zinc/69/81/99/606698199.db2.gz NWZILTMEVGOPDJ-UHFFFAOYSA-N 0 0 399.411 2.970 20 5 GFBDRN Cc1ccc(C[C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)cc1 ZINC000822234867 606705479 /nfs/dbraw/zinc/70/54/79/606705479.db2.gz JUEQFPXYQRKHDU-HNNXBMFYSA-N 0 0 379.424 2.937 20 5 GFBDRN CC(C)(C)OC(=O)Cc1cccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1 ZINC000819927994 606713006 /nfs/dbraw/zinc/71/30/06/606713006.db2.gz FMSIIIRKVACXCG-UHFFFAOYSA-N 0 0 397.395 2.798 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000822271196 607026292 /nfs/dbraw/zinc/02/62/92/607026292.db2.gz QBSDAKKZJMWREJ-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000823418729 607078426 /nfs/dbraw/zinc/07/84/26/607078426.db2.gz VWAGDSXCDJNCCH-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000820004772 607080365 /nfs/dbraw/zinc/08/03/65/607080365.db2.gz BLOFODWWYBSRIY-UHFFFAOYSA-N 0 0 383.364 2.676 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(OCC(F)(F)F)cc1 ZINC000823625394 607166718 /nfs/dbraw/zinc/16/67/18/607166718.db2.gz UDEMPGVHZCMTHM-UHFFFAOYSA-N 0 0 395.301 2.723 20 5 GFBDRN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826454313 607961214 /nfs/dbraw/zinc/96/12/14/607961214.db2.gz RRCJQISTWSGJKP-UHFFFAOYSA-N 0 0 383.343 2.504 20 5 GFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cn2ccccc2c1-c1nn[nH]n1 ZINC000824009913 607972885 /nfs/dbraw/zinc/97/28/85/607972885.db2.gz FGSHNESGGFCXIF-UHFFFAOYSA-N 0 0 378.348 2.809 20 5 GFBDRN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[nH]n2)c1 ZINC000824479613 607986190 /nfs/dbraw/zinc/98/61/90/607986190.db2.gz OSGJQEOMVFENKE-LLVKDONJSA-N 0 0 391.391 2.676 20 5 GFBDRN O=C1[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCCN1c1ccccc1F ZINC000826477436 608053463 /nfs/dbraw/zinc/05/34/63/608053463.db2.gz DCZVIKSVBSGMQE-CQSZACIVSA-N 0 0 397.370 2.522 20 5 GFBDRN CCO[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)C(C)C ZINC000825576453 608161172 /nfs/dbraw/zinc/16/11/72/608161172.db2.gz HMLWYRHTBIPRMM-GFCCVEGCSA-N 0 0 382.808 2.818 20 5 GFBDRN C[C@H]1CC[C@H](CCC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)O1 ZINC000824909492 608161395 /nfs/dbraw/zinc/16/13/95/608161395.db2.gz UHDQTQNRQCNBSD-WCBMZHEXSA-N 0 0 380.792 2.715 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)[C@H]1COc2ccccc21 ZINC000826451048 608162537 /nfs/dbraw/zinc/16/25/37/608162537.db2.gz NOIXJZJAAARGIX-JTQLQIEISA-N 0 0 386.755 2.543 20 5 GFBDRN Cc1ncc(C=CC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000826329480 608163765 /nfs/dbraw/zinc/16/37/65/608163765.db2.gz FOVUFBJGEKCRBZ-NSCUHMNNSA-N 0 0 391.800 2.845 20 5 GFBDRN COc1ccc(CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)cc1[N+](=O)[O-] ZINC000826203906 608223900 /nfs/dbraw/zinc/22/39/00/608223900.db2.gz LOJPKWSEXXWLKP-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000826274054 608291987 /nfs/dbraw/zinc/29/19/87/608291987.db2.gz FNWMALIOKQSLPD-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826186165 608294981 /nfs/dbraw/zinc/29/49/81/608294981.db2.gz HSDHMXCSIRZOOV-UHFFFAOYSA-N 0 0 391.347 2.584 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826172507 608346073 /nfs/dbraw/zinc/34/60/73/608346073.db2.gz JXTHPIHHZGQEKD-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN O=[N+]([O-])c1cnc(Oc2cc(Cl)cnc2Br)c(-c2nn[nH]n2)c1 ZINC000826500613 608416081 /nfs/dbraw/zinc/41/60/81/608416081.db2.gz FHNWUSSWDVWUQF-UHFFFAOYSA-N 0 0 398.564 2.773 20 5 GFBDRN CO[C@@H]1[C@H](C)[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000826144327 608587626 /nfs/dbraw/zinc/58/76/26/608587626.db2.gz GUOBMITTXZSVML-FWGMWULZSA-N 0 0 383.412 2.795 20 5 GFBDRN C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824473001 609325248 /nfs/dbraw/zinc/32/52/48/609325248.db2.gz YCWLCWYTEIUQMW-JTQLQIEISA-N 0 0 388.334 2.744 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000826293215 609465500 /nfs/dbraw/zinc/46/55/00/609465500.db2.gz GCZPAGPAUSZPTK-GFCCVEGCSA-N 0 0 383.364 2.767 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477753 609575643 /nfs/dbraw/zinc/57/56/43/609575643.db2.gz 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553020477 /nfs/dbraw/zinc/02/04/77/553020477.db2.gz AKYUHPFRVGRWRN-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cccc(Br)c1 ZINC000194654048 553026541 /nfs/dbraw/zinc/02/65/41/553026541.db2.gz PBTYRSMLFVPMEE-UHFFFAOYSA-N 0 0 385.239 2.977 20 5 GFBDRN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000194671391 553027055 /nfs/dbraw/zinc/02/70/55/553027055.db2.gz DHBZEGJUNGUZJA-UHFFFAOYSA-N 0 0 392.218 2.825 20 5 GFBDRN Cc1nc(C)c(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)n2)s1 ZINC000194693321 553027383 /nfs/dbraw/zinc/02/73/83/553027383.db2.gz MLLJFOYWXDVMGM-UHFFFAOYSA-N 0 0 378.439 2.935 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(CC(F)(F)F)CC1 ZINC000195158515 553039327 /nfs/dbraw/zinc/03/93/27/553039327.db2.gz QKGKFNYNFNLUBD-UHFFFAOYSA-N 0 0 377.388 2.830 20 5 GFBDRN Cc1nn(C)c(N2CCO[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000195405336 553047901 /nfs/dbraw/zinc/04/79/01/553047901.db2.gz GJQZFLPHKGBTCP-ZDUSSCGKSA-N 0 0 381.230 2.977 20 5 GFBDRN CCCCOCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000195492086 553050834 /nfs/dbraw/zinc/05/08/34/553050834.db2.gz XPMFRBLNXYNHHA-UHFFFAOYSA-N 0 0 392.193 2.746 20 5 GFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000198328409 553051864 /nfs/dbraw/zinc/05/18/64/553051864.db2.gz OENDLTZRRKNWBN-BBRMVZONSA-N 0 0 383.857 2.661 20 5 GFBDRN COC(=O)[C@H](CC(C)C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509632291 564306980 /nfs/dbraw/zinc/30/69/80/564306980.db2.gz IVMRLNRHEDUKKU-LBPRGKRZSA-N 0 0 387.230 2.983 20 5 GFBDRN CC(F)(F)CCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000453784142 564471747 /nfs/dbraw/zinc/47/17/47/564471747.db2.gz MFBVREHENNMKCR-UHFFFAOYSA-N 0 0 394.172 2.847 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CCC2(C1)CCOCC2 ZINC000418908750 563230179 /nfs/dbraw/zinc/23/01/79/563230179.db2.gz NGYGCMFJEFPUHG-UHFFFAOYSA-N 0 0 389.193 2.601 20 5 GFBDRN CCOc1cc(CS(=O)(=O)Cc2c(C)nn(C)c2Cl)ccc1[N+](=O)[O-] ZINC000277554251 563213537 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Cn1cc(C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)cn1 ZINC000369958013 563229450 /nfs/dbraw/zinc/22/94/50/563229450.db2.gz DPAVCWMLSGXOII-NSHDSACASA-N 0 0 393.241 2.796 20 5 GFBDRN Cc1cnn([C@@H]2CCN(c3c(I)cncc3[N+](=O)[O-])C2)c1 ZINC000418957270 563231432 /nfs/dbraw/zinc/23/14/32/563231432.db2.gz UMQXUGKAOBHAHN-SNVBAGLBSA-N 0 0 399.192 2.551 20 5 GFBDRN C[C@H]1C[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295244951 563238648 /nfs/dbraw/zinc/23/86/48/563238648.db2.gz YNKXTJNHNKOTJI-DTWKUNHWSA-N 0 0 383.253 2.995 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1Cl ZINC000295260660 563239064 /nfs/dbraw/zinc/23/90/64/563239064.db2.gz RINZPOBTPPAUDB-SNVBAGLBSA-N 0 0 392.264 2.536 20 5 GFBDRN CC1(C)CCN(c2cc(Br)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000278523005 563260140 /nfs/dbraw/zinc/26/01/40/563260140.db2.gz SOZAIGFPAITMKX-UHFFFAOYSA-N 0 0 377.260 2.761 20 5 GFBDRN CN([C@H](CO)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000295750208 563260820 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O=[N+]([O-])c1cnn(C[C@H](O)COc2ccc(Cl)c(Br)c2)c1 ZINC000295997921 563270382 /nfs/dbraw/zinc/27/03/82/563270382.db2.gz SHSYTOITLBBALF-VIFPVBQESA-N 0 0 376.594 2.647 20 5 GFBDRN Cc1c([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000371310149 563272255 /nfs/dbraw/zinc/27/22/55/563272255.db2.gz HCQVKOVHURAUOB-ZDUSSCGKSA-N 0 0 384.845 2.816 20 5 GFBDRN CC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000371462238 563278544 /nfs/dbraw/zinc/27/85/44/563278544.db2.gz UWHLLBFYHSTKPY-UHFFFAOYSA-N 0 0 381.435 2.756 20 5 GFBDRN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000279291752 563290884 /nfs/dbraw/zinc/29/08/84/563290884.db2.gz MMSSTNLRMJPVDJ-SNVBAGLBSA-N 0 0 394.852 2.602 20 5 GFBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000420971714 563292336 /nfs/dbraw/zinc/29/23/36/563292336.db2.gz IYOHVDXAXUYBMI-UHFFFAOYSA-N 0 0 389.886 2.720 20 5 GFBDRN O=C(NC[C@@H]1CCSC1)c1ccc(I)c([N+](=O)[O-])c1 ZINC000279449021 563296530 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GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOc2c(Cl)cccc21 ZINC000471210572 564189043 /nfs/dbraw/zinc/18/90/43/564189043.db2.gz MLIAGCBTZSSDCV-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cc2c(cc1Br)OCCO2 ZINC000471560302 564197685 /nfs/dbraw/zinc/19/76/85/564197685.db2.gz PHCFSWPCICXTAD-UHFFFAOYSA-N 0 0 381.182 2.647 20 5 GFBDRN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCNC1=O ZINC000538798135 564201181 /nfs/dbraw/zinc/20/11/81/564201181.db2.gz OZBMBYXRIJXPDI-CQSZACIVSA-N 0 0 394.225 2.938 20 5 GFBDRN O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000506555166 564204942 /nfs/dbraw/zinc/20/49/42/564204942.db2.gz MNHRYTQYABCFBT-UHFFFAOYSA-N 0 0 387.801 2.600 20 5 GFBDRN CS(=O)(=O)C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450351416 564228502 /nfs/dbraw/zinc/22/85/02/564228502.db2.gz UUPDWJAVWDZJCE-UHFFFAOYSA-N 0 0 381.479 2.908 20 5 GFBDRN CC(=O)NCCCSCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564694385 564245165 /nfs/dbraw/zinc/24/51/65/564245165.db2.gz XECHTDFORGCJRQ-UHFFFAOYSA-N 0 0 394.234 2.959 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](c2cccc(Br)c2)C1 ZINC000450758716 564246849 /nfs/dbraw/zinc/24/68/49/564246849.db2.gz OFQNWJXIZCRZJQ-NSHDSACASA-N 0 0 391.225 2.845 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2nc(C(F)(F)F)cs2)c1 ZINC000564854110 564253059 /nfs/dbraw/zinc/25/30/59/564253059.db2.gz JAIVOQWDYDZYEH-JTQLQIEISA-N 0 0 377.344 2.600 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCc2csc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000508122296 564255406 /nfs/dbraw/zinc/25/54/06/564255406.db2.gz UCTKIDLEZDMSER-UHFFFAOYSA-N 0 0 386.227 2.800 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1OCc1nnnn1C1CC1 ZINC000508161759 564256584 /nfs/dbraw/zinc/25/65/84/564256584.db2.gz KUHSVGAQCYIIGA-UHFFFAOYSA-N 0 0 391.185 2.806 20 5 GFBDRN CC(=O)NCc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000540899403 564259487 /nfs/dbraw/zinc/25/94/87/564259487.db2.gz IJKOFKNOUKYBQD-UHFFFAOYSA-N 0 0 381.841 2.918 20 5 GFBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894586 564259511 /nfs/dbraw/zinc/25/95/11/564259511.db2.gz ATOLWKVKAQDPKP-IINYFYTJSA-N 0 0 385.829 2.698 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCSC[C@@H]1CCO ZINC000473990954 564260535 /nfs/dbraw/zinc/26/05/35/564260535.db2.gz QJWZOJOHSWCCRT-JTQLQIEISA-N 0 0 377.369 2.528 20 5 GFBDRN COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000474183714 564268282 /nfs/dbraw/zinc/26/82/82/564268282.db2.gz IXCPTUHEGAFUAH-AWEZNQCLSA-N 0 0 384.841 2.784 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC=C(F)C1 ZINC000541267329 564271815 /nfs/dbraw/zinc/27/18/15/564271815.db2.gz QGWZDVXWMQERIF-UHFFFAOYSA-N 0 0 376.125 2.899 20 5 GFBDRN CS[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000541278364 564272562 /nfs/dbraw/zinc/27/25/62/564272562.db2.gz NUFLJRXDDMRHJQ-CYBMUJFWSA-N 0 0 385.511 2.680 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c1 ZINC000565274986 564273821 /nfs/dbraw/zinc/27/38/21/564273821.db2.gz FJULNHBAPWKPQZ-SECBINFHSA-N 0 0 389.149 2.683 20 5 GFBDRN CCOC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000474392860 564277092 /nfs/dbraw/zinc/27/70/92/564277092.db2.gz OTYRGYYVQAPOGH-GFCCVEGCSA-N 0 0 395.275 2.697 20 5 GFBDRN COc1cnc(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000509005510 564279153 /nfs/dbraw/zinc/27/91/53/564279153.db2.gz CWMBEQJDOAWZEM-UHFFFAOYSA-N 0 0 375.309 2.922 20 5 GFBDRN O=C(NC[C@H]1COc2ccccc2O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000474572015 564281912 /nfs/dbraw/zinc/28/19/12/564281912.db2.gz DJQXDRBQKQXFGU-QMMMGPOBSA-N 0 0 399.222 2.989 20 5 GFBDRN CN(Cc1ccc[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000474739730 564287584 /nfs/dbraw/zinc/28/75/84/564287584.db2.gz QEKHNOZLQAUTLT-UHFFFAOYSA-N 0 0 385.161 2.800 20 5 GFBDRN CN(CC(=O)NCc1ccccc1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000474784667 564289149 /nfs/dbraw/zinc/28/91/49/564289149.db2.gz MMWBZEPZVAJBRC-UHFFFAOYSA-N 0 0 379.214 2.505 20 5 GFBDRN CC(C)O[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000565773542 564294661 /nfs/dbraw/zinc/29/46/61/564294661.db2.gz UYMDFWHCMWOPFL-GFCCVEGCSA-N 0 0 386.246 2.795 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2S(C)(=O)=O)c1 ZINC000475063401 564299140 /nfs/dbraw/zinc/29/91/40/564299140.db2.gz KBZFSBMLYKDJSB-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCCS2)c1 ZINC000542242520 564306713 /nfs/dbraw/zinc/30/67/13/564306713.db2.gz XKJYBFGJRGMOAH-NSHDSACASA-N 0 0 395.300 2.921 20 5 GFBDRN CC[C@@H](C)[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000509831347 564314825 /nfs/dbraw/zinc/31/48/25/564314825.db2.gz ZXFCITCHQSZBSQ-OQPBUACISA-N 0 0 387.230 2.983 20 5 GFBDRN CO[C@@H]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])c(C)c3Br)[C@H]2C1 ZINC000542504995 564316110 /nfs/dbraw/zinc/31/61/10/564316110.db2.gz MFMFGGHPRGCWOR-NTZNESFSSA-N 0 0 386.246 2.833 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000542527448 564317566 /nfs/dbraw/zinc/31/75/66/564317566.db2.gz UVVZEWDQNZEFNF-UHFFFAOYSA-N 0 0 384.161 2.930 20 5 GFBDRN Nc1c(C(=O)N[C@@H](CCO)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000542912044 564331340 /nfs/dbraw/zinc/33/13/40/564331340.db2.gz FHAPQOJKFKTYDR-ZDUSSCGKSA-N 0 0 394.225 2.793 20 5 GFBDRN COc1ccc(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)cc1[N+](=O)[O-] ZINC000542931136 564332427 /nfs/dbraw/zinc/33/24/27/564332427.db2.gz IGQZBJWWCYJAJV-UHFFFAOYSA-N 0 0 384.435 2.770 20 5 GFBDRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542928583 564332700 /nfs/dbraw/zinc/33/27/00/564332700.db2.gz SCTRNYWZNXRSHV-SNVBAGLBSA-N 0 0 381.841 2.847 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)c(Br)cc1Cl ZINC000476367341 564337029 /nfs/dbraw/zinc/33/70/29/564337029.db2.gz RQQKUMMMDQEZOL-UHFFFAOYSA-N 0 0 391.584 2.776 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(CCC(C)C)no2)cc1[N+](=O)[O-] ZINC000543148267 564340199 /nfs/dbraw/zinc/34/01/99/564340199.db2.gz APUZJKTWMFKYES-UHFFFAOYSA-N 0 0 385.218 2.847 20 5 GFBDRN COc1c(S(=O)(=O)N[C@H](C)C2CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000451735298 564345555 /nfs/dbraw/zinc/34/55/55/564345555.db2.gz NMFPONKFNYJRSR-MRVPVSSYSA-N 0 0 393.259 2.751 20 5 GFBDRN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2I)s1 ZINC000510913765 564349635 /nfs/dbraw/zinc/34/96/35/564349635.db2.gz QMBOKMXAHDKEJL-UHFFFAOYSA-N 0 0 390.162 2.612 20 5 GFBDRN CO[C@@H](C)c1noc(CN(C)c2ncc([N+](=O)[O-])c(C)c2Br)n1 ZINC000543436267 564350625 /nfs/dbraw/zinc/35/06/25/564350625.db2.gz GCGWEPMMYDYVMP-QMMMGPOBSA-N 0 0 386.206 2.788 20 5 GFBDRN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451852135 564359578 /nfs/dbraw/zinc/35/95/78/564359578.db2.gz NMPKRWCEMHKOKD-GFCCVEGCSA-N 0 0 384.845 2.550 20 5 GFBDRN O=C1[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)cc1 ZINC000477036786 564363000 /nfs/dbraw/zinc/36/30/00/564363000.db2.gz NYPQOWOQZHEHRA-HNNXBMFYSA-N 0 0 380.809 2.827 20 5 GFBDRN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCSc2ccccc21 ZINC000477060735 564363531 /nfs/dbraw/zinc/36/35/31/564363531.db2.gz XODRZOUMVYSPAD-UHFFFAOYSA-N 0 0 378.431 2.507 20 5 GFBDRN CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511244244 564364098 /nfs/dbraw/zinc/36/40/98/564364098.db2.gz ZMIDNWFEURCBDP-UHFFFAOYSA-N 0 0 375.878 2.745 20 5 GFBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@H]1CCO ZINC000511349473 564369050 /nfs/dbraw/zinc/36/90/50/564369050.db2.gz FPGVCKKCFUXBTB-CYBMUJFWSA-N 0 0 379.463 2.658 20 5 GFBDRN O=C(N=c1cc2ccc(Br)cn2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511371492 564370231 /nfs/dbraw/zinc/37/02/31/564370231.db2.gz MQUCTKSGXZCDHU-UHFFFAOYSA-N 0 0 379.145 2.818 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2ccc(CSC)cc2)cc1[N+](=O)[O-] ZINC000511410808 564372013 /nfs/dbraw/zinc/37/20/13/564372013.db2.gz LWNWKCLWAWMWMT-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCSC[C@@H]1CCO ZINC000544268992 564381033 /nfs/dbraw/zinc/38/10/33/564381033.db2.gz OPGLHGRXPXSOLE-NSHDSACASA-N 0 0 376.887 2.667 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000544478620 564386682 /nfs/dbraw/zinc/38/66/82/564386682.db2.gz YDSSHPCAMPTERY-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN COC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452105162 564393132 /nfs/dbraw/zinc/39/31/32/564393132.db2.gz YGPJWKHNEYDQBK-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN COC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452105165 564393200 /nfs/dbraw/zinc/39/32/00/564393200.db2.gz YGPJWKHNEYDQBK-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1OC[C@H](O)C(F)(F)F ZINC000478674932 564411588 /nfs/dbraw/zinc/41/15/88/564411588.db2.gz LONNLJTVFZNCQN-QMMMGPOBSA-N 0 0 377.056 2.501 20 5 GFBDRN Cc1nc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])sc1Br ZINC000452402244 564414487 /nfs/dbraw/zinc/41/44/87/564414487.db2.gz ZNFHNXTVXQPIQW-UHFFFAOYSA-N 0 0 399.270 2.875 20 5 GFBDRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC000513001612 564418130 /nfs/dbraw/zinc/41/81/30/564418130.db2.gz 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564451024 /nfs/dbraw/zinc/45/10/24/564451024.db2.gz GIEPAYKOHKBBIJ-UHFFFAOYSA-N 0 0 386.246 2.795 20 5 GFBDRN CNC(=O)CCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000514676991 564453364 /nfs/dbraw/zinc/45/33/64/564453364.db2.gz PTGDCICRMCLXEZ-UHFFFAOYSA-N 0 0 380.451 2.526 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000515021365 564465905 /nfs/dbraw/zinc/46/59/05/564465905.db2.gz ZZNHRUPDQAEPRA-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)cccc1[N+](=O)[O-] ZINC000480870847 564492386 /nfs/dbraw/zinc/49/23/86/564492386.db2.gz YUIOBCCXRTWZCP-UHFFFAOYSA-N 0 0 380.813 2.911 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454201084 564502141 /nfs/dbraw/zinc/50/21/41/564502141.db2.gz AKPYTCVBPJACMW-LLVKDONJSA-N 0 0 375.834 2.679 20 5 GFBDRN CSc1ncc(Cl)c(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000570894920 564526470 /nfs/dbraw/zinc/52/64/70/564526470.db2.gz CEFMXTKGZMYECH-UHFFFAOYSA-N 0 0 380.813 2.795 20 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CCCC(=O)N1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000366487255 563810529 /nfs/dbraw/zinc/81/05/29/563810529.db2.gz SKVCPCDINIWDBX-UHFFFAOYSA-N 0 0 398.257 2.832 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)c(Br)c1 ZINC000443735042 563810962 /nfs/dbraw/zinc/81/09/62/563810962.db2.gz VIIFUALHQPARSN-UHFFFAOYSA-N 0 0 375.244 2.826 20 5 GFBDRN O=[N+]([O-])c1ccc2[nH]c(CNS(=O)(=O)c3cccc(Cl)c3F)nc2c1 ZINC000443966290 563816932 /nfs/dbraw/zinc/81/69/32/563816932.db2.gz SLZRLWJRQPGVOK-UHFFFAOYSA-N 0 0 384.776 2.742 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(O)CCCCC1 ZINC000416399290 563823244 /nfs/dbraw/zinc/82/32/44/563823244.db2.gz DCCSKZCHXYHGQR-UHFFFAOYSA-N 0 0 382.360 2.587 20 5 GFBDRN CCOC[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416411648 563825239 /nfs/dbraw/zinc/82/52/39/563825239.db2.gz AHIMROVEXDGDPR-JTQLQIEISA-N 0 0 382.360 2.661 20 5 GFBDRN CC(C)(C)C[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416436808 563828662 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378.809 2.577 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000367559061 563848813 /nfs/dbraw/zinc/84/88/13/563848813.db2.gz ISRDHWFXHXTTHR-RYUDHWBXSA-N 0 0 378.809 2.719 20 5 GFBDRN C[NH+](C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445713408 563852553 /nfs/dbraw/zinc/85/25/53/563852553.db2.gz DVUKTJLKAQGJFL-UHFFFAOYSA-N 0 0 382.269 2.664 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000416619744 563854285 /nfs/dbraw/zinc/85/42/85/563854285.db2.gz XWKOBEKAPWWBEF-ZDUSSCGKSA-N 0 0 381.479 2.551 20 5 GFBDRN COc1nc(C)c(Br)cc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000446002737 563856876 /nfs/dbraw/zinc/85/68/76/563856876.db2.gz OYHBBPUZSMMVIR-UHFFFAOYSA-N 0 0 395.173 2.520 20 5 GFBDRN COc1cc(S(=O)(=O)N[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000367932189 563859509 /nfs/dbraw/zinc/85/95/09/563859509.db2.gz QJOYOAZJVXRZKS-GFCCVEGCSA-N 0 0 383.451 2.724 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@]2(CCOC2)C1 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GFBDRN COc1ccc(S(=O)(=O)NCc2c(F)cccc2SC)c([N+](=O)[O-])c1 ZINC000509574911 564304184 /nfs/dbraw/zinc/30/41/84/564304184.db2.gz YKGUUMODHYNHQC-UHFFFAOYSA-N 0 0 386.426 2.943 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000475567432 564312683 /nfs/dbraw/zinc/31/26/83/564312683.db2.gz XDGOZLMYWREAJX-UHFFFAOYSA-N 0 0 383.451 2.998 20 5 GFBDRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000475772300 564319408 /nfs/dbraw/zinc/31/94/08/564319408.db2.gz KOEPVMKFAFCYLR-UHFFFAOYSA-N 0 0 397.181 2.766 20 5 GFBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1 ZINC000510115967 564326387 /nfs/dbraw/zinc/32/63/87/564326387.db2.gz DSGYENSNAYIVIJ-UHFFFAOYSA-N 0 0 392.209 2.768 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000451615746 564332287 /nfs/dbraw/zinc/33/22/87/564332287.db2.gz WRNXVNQMRBHNOA-UHFFFAOYSA-N 0 0 387.202 2.989 20 5 GFBDRN COc1ccc(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000543002613 564334453 /nfs/dbraw/zinc/33/44/53/564334453.db2.gz JMUNKKRKDKDDLP-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451647048 564335159 /nfs/dbraw/zinc/33/51/59/564335159.db2.gz HROIFFIMQBLOFA-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)o1 ZINC000510638665 564341488 /nfs/dbraw/zinc/34/14/88/564341488.db2.gz SEZTUJRXLSFWBY-UHFFFAOYSA-N 0 0 389.227 2.814 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)s1 ZINC000566927970 564349684 /nfs/dbraw/zinc/34/96/84/564349684.db2.gz XOMPOTJBHZXGIU-UHFFFAOYSA-N 0 0 381.357 2.591 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000476666290 564350367 /nfs/dbraw/zinc/35/03/67/564350367.db2.gz IIPMEAARILLRSC-UHFFFAOYSA-N 0 0 395.257 2.886 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOc2ncc(Br)cc21 ZINC000543501597 564352465 /nfs/dbraw/zinc/35/24/65/564352465.db2.gz XEXMHXQRDVCODC-UHFFFAOYSA-N 0 0 378.182 2.720 20 5 GFBDRN CC(C)[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824838 564356208 /nfs/dbraw/zinc/35/62/08/564356208.db2.gz PPPRHLGUANSLEA-RISCZKNCSA-N 0 0 376.862 2.978 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CO)c1cccc(Cl)c1F ZINC000543621507 564356456 /nfs/dbraw/zinc/35/64/56/564356456.db2.gz RAPKZRYTUQOQDJ-LBPRGKRZSA-N 0 0 388.804 2.708 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)cc1[N+](=O)[O-] ZINC000567430774 564371857 /nfs/dbraw/zinc/37/18/57/564371857.db2.gz JVTODWPCUIPMRG-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN CN(C)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000477494058 564378213 /nfs/dbraw/zinc/37/82/13/564378213.db2.gz OORKXSSJRWEHOV-UHFFFAOYSA-N 0 0 383.857 2.835 20 5 GFBDRN Cc1c(Br)c(NCc2cccc(-n3cncn3)c2)ncc1[N+](=O)[O-] ZINC000544395208 564384847 /nfs/dbraw/zinc/38/48/47/564384847.db2.gz TXASRAPFGIYGEY-UHFFFAOYSA-N 0 0 389.213 2.675 20 5 GFBDRN CC(C)(O)C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452031000 564385110 /nfs/dbraw/zinc/38/51/10/564385110.db2.gz IYEPBJIJHBSAEZ-UHFFFAOYSA-N 0 0 384.376 2.689 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])cn3)nc12 ZINC000544702163 564394433 /nfs/dbraw/zinc/39/44/33/564394433.db2.gz BHIPEEOPBVLATH-UHFFFAOYSA-N 0 0 376.214 2.785 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(CCn3cccn3)n2)c(Br)c1 ZINC000545016370 564407115 /nfs/dbraw/zinc/40/71/15/564407115.db2.gz RMLHSRZXMDICAT-UHFFFAOYSA-N 0 0 378.186 2.770 20 5 GFBDRN CCOC(=O)C[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000478763346 564414343 /nfs/dbraw/zinc/41/43/43/564414343.db2.gz QAHGJFGEJUTENO-OAHLLOKOSA-N 0 0 392.861 2.894 20 5 GFBDRN CCOC(=O)C[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000478773368 564414447 /nfs/dbraw/zinc/41/44/47/564414447.db2.gz PZPGMPKNSIZXNV-CQSZACIVSA-N 0 0 378.472 2.611 20 5 GFBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H](O)C(F)F ZINC000452486527 564417991 /nfs/dbraw/zinc/41/79/91/564417991.db2.gz ZGYSSYMKXDLEIJ-QWRGUYRKSA-N 0 0 381.173 2.800 20 5 GFBDRN COc1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000478965128 564420413 /nfs/dbraw/zinc/42/04/13/564420413.db2.gz XKCKTGMCDBKLTO-HNNXBMFYSA-N 0 0 394.225 2.682 20 5 GFBDRN COc1cc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000568538697 564422951 /nfs/dbraw/zinc/42/29/51/564422951.db2.gz GBNKTNDFXHGQIS-UHFFFAOYSA-N 0 0 376.843 2.839 20 5 GFBDRN CC[C@@H](CC(F)(F)F)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000545498131 564426482 /nfs/dbraw/zinc/42/64/82/564426482.db2.gz WJPVSABZZYOSQJ-QMMMGPOBSA-N 0 0 381.738 2.825 20 5 GFBDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000479160507 564428625 /nfs/dbraw/zinc/42/86/25/564428625.db2.gz IYUPUNMYELNSNV-UHFFFAOYSA-N 0 0 383.813 2.685 20 5 GFBDRN C[C@@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479229377 564431771 /nfs/dbraw/zinc/43/17/71/564431771.db2.gz YWSMSILQBRLUJK-VIFPVBQESA-N 0 0 378.834 2.647 20 5 GFBDRN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452923989 564437311 /nfs/dbraw/zinc/43/73/11/564437311.db2.gz JZLWYWWYXJDPDT-HUUCEWRRSA-N 0 0 383.242 2.884 20 5 GFBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000545929164 564438295 /nfs/dbraw/zinc/43/82/95/564438295.db2.gz GVUOVASSZMSHRX-UHFFFAOYSA-N 0 0 384.826 2.731 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000513814110 564439335 /nfs/dbraw/zinc/43/93/35/564439335.db2.gz ROVKSUVCQVGNTG-UHFFFAOYSA-N 0 0 384.797 2.860 20 5 GFBDRN COc1ncccc1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569044612 564446141 /nfs/dbraw/zinc/44/61/41/564446141.db2.gz HVPHMEXIFHBWLO-UHFFFAOYSA-N 0 0 380.198 2.733 20 5 GFBDRN CC(=O)c1cccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000480010176 564457698 /nfs/dbraw/zinc/45/76/98/564457698.db2.gz BJMSKPUAHYIQBJ-UHFFFAOYSA-N 0 0 382.825 2.972 20 5 GFBDRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000514813105 564458276 /nfs/dbraw/zinc/45/82/76/564458276.db2.gz XIFXZLVNKCDUDL-UHFFFAOYSA-N 0 0 382.825 2.842 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(O[C@H]2CCOC2)CC1 ZINC000480199840 564463271 /nfs/dbraw/zinc/46/32/71/564463271.db2.gz SJYDOOBLIHDGGS-ZDUSSCGKSA-N 0 0 399.241 2.767 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480409447 564471848 /nfs/dbraw/zinc/47/18/48/564471848.db2.gz IQNYAXITCFREAF-HIFRSBDPSA-N 0 0 384.219 2.970 20 5 GFBDRN Cc1noc(CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])n1 ZINC000480483408 564475195 /nfs/dbraw/zinc/47/51/95/564475195.db2.gz NDTXPRVECVKVNY-UHFFFAOYSA-N 0 0 378.186 2.673 20 5 GFBDRN CC(C)(C)N1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000569720182 564475635 /nfs/dbraw/zinc/47/56/35/564475635.db2.gz BDJHFMFGNYAGNK-LBPRGKRZSA-N 0 0 399.245 2.878 20 5 GFBDRN CCN1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1c1ncc[nH]1 ZINC000480691532 564482335 /nfs/dbraw/zinc/48/23/35/564482335.db2.gz VYIMLFHVQDKTPK-LBPRGKRZSA-N 0 0 395.261 2.667 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 ZINC000515595845 564483141 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COC(=O)[C@](C)(NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)c(Cl)c1 ZINC000481603380 564518044 /nfs/dbraw/zinc/51/80/44/564518044.db2.gz BMMOOFHMISUIEU-OAHLLOKOSA-N 0 0 387.223 2.813 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000482027770 564532510 /nfs/dbraw/zinc/53/25/10/564532510.db2.gz DRSGNHGSCKDGSO-UHFFFAOYSA-N 0 0 382.207 2.938 20 5 GFBDRN CC(C)(C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1)n1cc([N+](=O)[O-])cn1 ZINC000518064891 564545952 /nfs/dbraw/zinc/54/59/52/564545952.db2.gz NUDSTKZJLKCRCG-KBPBESRZSA-N 0 0 393.241 2.961 20 5 GFBDRN COC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000482661982 564548009 /nfs/dbraw/zinc/54/80/09/564548009.db2.gz XPBSLMYNPDWRDK-UHFFFAOYSA-N 0 0 383.154 2.667 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000518587327 564557332 /nfs/dbraw/zinc/55/73/32/564557332.db2.gz GOLWZRJEKSDNLF-HNNXBMFYSA-N 0 0 397.200 2.889 20 5 GFBDRN CC(C)c1csc(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000455955535 564580900 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Cc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1[N+](=O)[O-] ZINC000456568665 564617882 /nfs/dbraw/zinc/61/78/82/564617882.db2.gz BTBFYIDHGIKFRP-NEPJUHHUSA-N 0 0 396.241 2.501 20 5 GFBDRN O=C(Nc1cc2n(n1)CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485602130 564621396 /nfs/dbraw/zinc/62/13/96/564621396.db2.gz DDUMVDOWLIEUNS-UHFFFAOYSA-N 0 0 380.202 2.956 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456690678 564624946 /nfs/dbraw/zinc/62/49/46/564624946.db2.gz LXTLNGAEKIOTDT-RDDDGLTNSA-N 0 0 397.147 2.743 20 5 GFBDRN CNC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1 ZINC000485831795 564627595 /nfs/dbraw/zinc/62/75/95/564627595.db2.gz WNRUDHGNHSSEQM-UHFFFAOYSA-N 0 0 393.197 2.673 20 5 GFBDRN O=C1NC2(CCCC2)C(=O)N1CCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000550986915 564635062 /nfs/dbraw/zinc/63/50/62/564635062.db2.gz FEGCPICEQLXYBQ-UHFFFAOYSA-N 0 0 397.229 2.634 20 5 GFBDRN Cc1c(Br)c(N2CCO[C@H](COCC3CC3)C2)ncc1[N+](=O)[O-] ZINC000486020771 564635777 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CC[C@@](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)(C(N)=O)C(C)C ZINC000551610234 564657103 /nfs/dbraw/zinc/65/71/03/564657103.db2.gz HMAJCUOBYAAMMK-HNNXBMFYSA-N 0 0 386.246 2.686 20 5 GFBDRN Nc1nc(Sc2nnc(COc3ccc(Cl)cc3)o2)ncc1[N+](=O)[O-] ZINC000524123987 564677233 /nfs/dbraw/zinc/67/72/33/564677233.db2.gz DWHWCOYTBKRUTA-UHFFFAOYSA-N 0 0 380.773 2.564 20 5 GFBDRN CC(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487160314 564678138 /nfs/dbraw/zinc/67/81/38/564678138.db2.gz XTPPDOVLTAPBPO-XHDPSFHLSA-N 0 0 376.862 2.978 20 5 GFBDRN COC(=O)[C@@H](C)CSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000524530608 564682711 /nfs/dbraw/zinc/68/27/11/564682711.db2.gz VGFNQCVHXYYMGG-QMMMGPOBSA-N 0 0 391.243 2.838 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000552545374 564694726 /nfs/dbraw/zinc/69/47/26/564694726.db2.gz QHQJUUXCZZIPFV-GFCCVEGCSA-N 0 0 394.229 2.797 20 5 GFBDRN O=C(NCCn1cc(Br)cn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000552717742 564698240 /nfs/dbraw/zinc/69/82/40/564698240.db2.gz CTDUWOGNBMAEOD-UHFFFAOYSA-N 0 0 379.170 2.730 20 5 GFBDRN O=C(NCc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1Br ZINC000553044729 564707235 /nfs/dbraw/zinc/70/72/35/564707235.db2.gz GXJWTPKRGOSUMV-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000488237088 564708278 /nfs/dbraw/zinc/70/82/78/564708278.db2.gz RMPIICMCZXGQRQ-CPJLOUKISA-N 0 0 382.873 2.770 20 5 GFBDRN Cn1cnnc1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576268391 564710407 /nfs/dbraw/zinc/71/04/07/564710407.db2.gz UHJJIOLUEAWVKH-UHFFFAOYSA-N 0 0 376.179 2.620 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2c(cccc2Br)s1 ZINC000553408708 564718903 /nfs/dbraw/zinc/71/89/03/564718903.db2.gz SDLIGYNOJGZKLR-UHFFFAOYSA-N 0 0 382.199 2.802 20 5 GFBDRN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1Br ZINC000526981066 564724758 /nfs/dbraw/zinc/72/47/58/564724758.db2.gz SPDVUMIBADDGJE-LLVKDONJSA-N 0 0 393.193 2.927 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCSC2)c1 ZINC000553571042 564727636 /nfs/dbraw/zinc/72/76/36/564727636.db2.gz BQYSFKFPZQMENG-VIFPVBQESA-N 0 0 395.300 2.779 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000553782437 564735867 /nfs/dbraw/zinc/73/58/67/564735867.db2.gz WXWVZCNVZJTFES-UHFFFAOYSA-N 0 0 385.239 2.977 20 5 GFBDRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577881222 564738108 /nfs/dbraw/zinc/73/81/08/564738108.db2.gz MDZBTEUXWBOAAD-CYBMUJFWSA-N 0 0 382.203 2.728 20 5 GFBDRN COc1cc(Br)c(Cn2c(C)ccc([N+](=O)[O-])c2=O)cc1OC ZINC000527314665 564738781 /nfs/dbraw/zinc/73/87/81/564738781.db2.gz RJEKDMYHUTUAGX-UHFFFAOYSA-N 0 0 383.198 2.893 20 5 GFBDRN C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000459551757 564750454 /nfs/dbraw/zinc/75/04/54/564750454.db2.gz OXOFQDDKNHJJKS-CLTRCRFRSA-N 0 0 390.259 2.732 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CC2)C(F)(F)F)c2ncccc12 ZINC000580620751 564766606 /nfs/dbraw/zinc/76/66/06/564766606.db2.gz LDHQSHQVWIAAEB-CYBMUJFWSA-N 0 0 375.328 2.762 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000490446240 564771672 /nfs/dbraw/zinc/77/16/72/564771672.db2.gz PRQLMINRACPVMV-LLVKDONJSA-N 0 0 382.360 2.634 20 5 GFBDRN NC(=O)c1ccnc(N[C@@H]2C[C@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000555159323 564785679 /nfs/dbraw/zinc/78/56/79/564785679.db2.gz OHZGVPVVPHXEHD-CMPLNLGQSA-N 0 0 377.198 2.819 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1[N+](=O)[O-] ZINC000461793011 564804809 /nfs/dbraw/zinc/80/48/09/564804809.db2.gz BYXIYTPKSCAGPG-ZRQNBYAXSA-N 0 0 388.511 2.915 20 5 GFBDRN CCN(C1CC1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493387743 564807345 /nfs/dbraw/zinc/80/73/45/564807345.db2.gz QPHRHXDNSPCXBE-UHFFFAOYSA-N 0 0 393.259 2.847 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000581595088 564809172 /nfs/dbraw/zinc/80/91/72/564809172.db2.gz KXLHOSGHMWWZLV-UHFFFAOYSA-N 0 0 386.857 2.740 20 5 GFBDRN CC(C)CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000494761936 564838826 /nfs/dbraw/zinc/83/88/26/564838826.db2.gz WSRDJYAKMSTBJI-UHFFFAOYSA-N 0 0 385.873 2.667 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cn1 ZINC000462434757 564839804 /nfs/dbraw/zinc/83/98/04/564839804.db2.gz BXDLPIIVDSGELJ-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN CC1(C)COCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582515721 564850262 /nfs/dbraw/zinc/85/02/62/564850262.db2.gz ZJIGIZIXWPGSLX-UHFFFAOYSA-N 0 0 376.194 2.810 20 5 GFBDRN CO[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462704122 564855181 /nfs/dbraw/zinc/85/51/81/564855181.db2.gz SPUAYBJDBJUHEB-PWSUYJOCSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)Nc3cn(C)nn3)cc2[N+](=O)[O-])n1 ZINC000462916666 564863020 /nfs/dbraw/zinc/86/30/20/564863020.db2.gz HKAAAIABMPZDPM-UHFFFAOYSA-N 0 0 376.423 2.892 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CSC[C@@H]1C ZINC000557586103 564868633 /nfs/dbraw/zinc/86/86/33/564868633.db2.gz ZNYKAXAQBVSYPJ-GXFFZTMASA-N 0 0 384.479 2.731 20 5 GFBDRN CS(=O)(=O)c1cccc(N[C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000497520158 564870147 /nfs/dbraw/zinc/87/01/47/564870147.db2.gz AFOTYKNJFBIXBQ-GFCCVEGCSA-N 0 0 386.495 2.855 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498013843 564885114 /nfs/dbraw/zinc/88/51/14/564885114.db2.gz PXFFTPZEJPGZSE-GFCCVEGCSA-N 0 0 393.241 2.796 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cc(C(N)=O)c[nH]2)no1 ZINC000583660254 564901283 /nfs/dbraw/zinc/90/12/83/564901283.db2.gz NWNXCLSEPSKRKT-UHFFFAOYSA-N 0 0 392.169 2.810 20 5 GFBDRN CC[C@H](C)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000465050094 564922547 /nfs/dbraw/zinc/92/25/47/564922547.db2.gz GWISDRVHTRBPDW-ZDUSSCGKSA-N 0 0 387.527 2.669 20 5 GFBDRN COC(=O)c1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000560127800 564950611 /nfs/dbraw/zinc/95/06/11/564950611.db2.gz FNZXTPIQDVPIEP-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000533095196 564954734 /nfs/dbraw/zinc/95/47/34/564954734.db2.gz UZNXULFFWZOLIL-OAHLLOKOSA-N 0 0 384.841 2.877 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533270277 564959742 /nfs/dbraw/zinc/95/97/42/564959742.db2.gz ZUYVVCMAJFTBNC-AWEZNQCLSA-N 0 0 384.845 2.894 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000467416963 564963281 /nfs/dbraw/zinc/96/32/81/564963281.db2.gz JIGBVJMOZCXXSY-UHFFFAOYSA-N 0 0 384.435 2.605 20 5 GFBDRN O=C(NCCC(=O)N1CCCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501082368 564970137 /nfs/dbraw/zinc/97/01/37/564970137.db2.gz CYAIHGUZASWOMR-UHFFFAOYSA-N 0 0 399.245 2.881 20 5 GFBDRN CC(=O)N1CCC(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501094077 564970144 /nfs/dbraw/zinc/97/01/44/564970144.db2.gz LBZWJTKKLISYAC-UHFFFAOYSA-N 0 0 399.245 2.737 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1CCC(F)(F)CC1 ZINC000534206177 564981914 /nfs/dbraw/zinc/98/19/14/564981914.db2.gz QQEIKHNOMRVGDH-UHFFFAOYSA-N 0 0 375.759 2.672 20 5 GFBDRN Cc1c(Br)cc(C(=O)N=c2cc3ccccn3[nH]2)cc1[N+](=O)[O-] ZINC000561156636 564986120 /nfs/dbraw/zinc/98/61/20/564986120.db2.gz AIOSGPUSAANMAX-UHFFFAOYSA-N 0 0 375.182 2.988 20 5 GFBDRN CC(C)CSCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000534462621 564988918 /nfs/dbraw/zinc/98/89/18/564988918.db2.gz WWNLXZUQTQPQLQ-GFCCVEGCSA-N 0 0 385.511 2.766 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000468719713 564991369 /nfs/dbraw/zinc/99/13/69/564991369.db2.gz JJOJELZTSQJIER-LBPRGKRZSA-N 0 0 386.495 2.855 20 5 GFBDRN CCOC(=O)[C@H](C)N(C1CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000469051750 565004186 /nfs/dbraw/zinc/00/41/86/565004186.db2.gz VIPJIKVTQPHVJQ-JTQLQIEISA-N 0 0 390.845 2.661 20 5 GFBDRN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561776256 565009084 /nfs/dbraw/zinc/00/90/84/565009084.db2.gz OVNFCJADZHZYMJ-CQSZACIVSA-N 0 0 383.173 2.960 20 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C[C@@]1(CCC(=O)OCc2cccc([N+](=O)[O-])c2Br)CCC(=O)N1 ZINC000840401022 661160627 /nfs/dbraw/zinc/16/06/27/661160627.db2.gz KICLUHSHIANCMG-HNNXBMFYSA-N 0 0 385.214 2.849 20 5 GFBDRN COc1ccc(S(=O)(=O)Oc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000730017020 655570924 /nfs/dbraw/zinc/57/09/24/655570924.db2.gz IKNLCWVYVCFNAU-UHFFFAOYSA-N 0 0 375.305 2.973 20 5 GFBDRN C[C@H](OC(=O)c1sccc1S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000732499180 655596817 /nfs/dbraw/zinc/59/68/17/655596817.db2.gz LWFRWRJLYOSBRW-JTQLQIEISA-N 0 0 384.435 2.825 20 5 GFBDRN COC(=O)c1sc(C)cc1OS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000733320583 655612606 /nfs/dbraw/zinc/61/26/06/655612606.db2.gz QZZWKLJOKDHFKI-UHFFFAOYSA-N 0 0 387.391 2.528 20 5 GFBDRN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000734975107 655637601 /nfs/dbraw/zinc/63/76/01/655637601.db2.gz OBECDIIAPLZLIF-MWLCHTKSSA-N 0 0 380.706 2.749 20 5 GFBDRN Cc1c(C(=O)OCc2cccc(Cl)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735539339 655648793 /nfs/dbraw/zinc/64/87/93/655648793.db2.gz LFLOSSWWQVIZFK-UHFFFAOYSA-N 0 0 384.797 2.561 20 5 GFBDRN Cc1nnc([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000840535619 661169048 /nfs/dbraw/zinc/16/90/48/661169048.db2.gz URVALWNGTGTYSC-MRVPVSSYSA-N 0 0 398.192 2.553 20 5 GFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736072900 655658239 /nfs/dbraw/zinc/65/82/39/655658239.db2.gz VGIOQEHXOMIDHL-UHFFFAOYSA-N 0 0 382.825 2.593 20 5 GFBDRN C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000840560141 661170410 /nfs/dbraw/zinc/17/04/10/661170410.db2.gz PJAFPHSNEMOCJC-BDAKNGLRSA-N 0 0 375.194 2.729 20 5 GFBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](C(F)(F)F)C1 ZINC000739917714 655695262 /nfs/dbraw/zinc/69/52/62/655695262.db2.gz BKMPWHYNAAOVTM-PRHODGIISA-N 0 0 381.738 2.838 20 5 GFBDRN CCCN1C[C@@H](C(=O)OCc2cccc([N+](=O)[O-])c2Br)CC1=O ZINC000840666403 661174322 /nfs/dbraw/zinc/17/43/22/661174322.db2.gz HWWAWAKENYRHEV-NSHDSACASA-N 0 0 385.214 2.659 20 5 GFBDRN CCCN1C[C@@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CC1=O ZINC000840667497 661174332 /nfs/dbraw/zinc/17/43/32/661174332.db2.gz NMSUKCAQTUKFGZ-NSHDSACASA-N 0 0 385.214 2.659 20 5 GFBDRN CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000740896927 655700812 /nfs/dbraw/zinc/70/08/12/655700812.db2.gz HZIGJAVAXCMCMR-JTQLQIEISA-N 0 0 395.275 2.791 20 5 GFBDRN O=C(Cn1cnc2sccc2c1=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741443358 655706118 /nfs/dbraw/zinc/70/61/18/655706118.db2.gz FQNCNZYOOXQPFT-UHFFFAOYSA-N 0 0 379.781 2.763 20 5 GFBDRN COc1ccc(OCCOC(=O)c2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000744942046 655747011 /nfs/dbraw/zinc/74/70/11/655747011.db2.gz RIBXCOPALDYMRZ-UHFFFAOYSA-N 0 0 397.181 2.997 20 5 GFBDRN O=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746604558 655764720 /nfs/dbraw/zinc/76/47/20/655764720.db2.gz HGBOATUOFOVOBX-UHFFFAOYSA-N 0 0 386.179 2.938 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccnc2F)c(Br)c1 ZINC000746675486 655766374 /nfs/dbraw/zinc/76/63/74/655766374.db2.gz WEDBQGJKVSUFKR-UHFFFAOYSA-N 0 0 377.147 2.659 20 5 GFBDRN O=C(NCCOc1ncccc1F)c1cc([N+](=O)[O-])ccc1Br ZINC000746895976 655768363 /nfs/dbraw/zinc/76/83/63/655768363.db2.gz KJNFBKQIUOOQJK-UHFFFAOYSA-N 0 0 384.161 2.700 20 5 GFBDRN CC(=O)NCc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000747278623 655775805 /nfs/dbraw/zinc/77/58/05/655775805.db2.gz DKAXWZKTQWSXCB-UHFFFAOYSA-N 0 0 390.826 2.714 20 5 GFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCSC(C)(C)C ZINC000748275867 655789359 /nfs/dbraw/zinc/78/93/59/655789359.db2.gz YXVRYCHHVYRYNK-UHFFFAOYSA-N 0 0 377.488 2.720 20 5 GFBDRN O=C(OCCn1cnc([N+](=O)[O-])n1)c1cnc(-c2ccccc2Cl)s1 ZINC000749079598 655799570 /nfs/dbraw/zinc/79/95/70/655799570.db2.gz LTZHFRYNZAGCLI-UHFFFAOYSA-N 0 0 379.785 2.820 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000750518263 655814723 /nfs/dbraw/zinc/81/47/23/655814723.db2.gz PRCNCXQTMYBYPH-UWVGGRQHSA-N 0 0 387.205 2.995 20 5 GFBDRN CC1(C)OC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)O1 ZINC000750905925 655818601 /nfs/dbraw/zinc/81/86/01/655818601.db2.gz UHERMYVUQNMDFW-QMMMGPOBSA-N 0 0 393.621 2.892 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000751422296 655826781 /nfs/dbraw/zinc/82/67/81/655826781.db2.gz IUPXQHHVYXEOCS-CYBMUJFWSA-N 0 0 388.804 2.708 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1Cc2cc(Br)ccc2O1 ZINC000752593010 655844701 /nfs/dbraw/zinc/84/47/01/655844701.db2.gz FAVCXWFJXCDGQA-LBPRGKRZSA-N 0 0 381.182 2.856 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H](O)c1cccc(Br)c1)CC2 ZINC000754210473 655865166 /nfs/dbraw/zinc/86/51/66/655865166.db2.gz NTWUXFPYWAOYFT-INIZCTEOSA-N 0 0 378.226 2.844 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000754218588 655865199 /nfs/dbraw/zinc/86/51/99/655865199.db2.gz KVEYCYWDWSKWMX-MRXNPFEDSA-N 0 0 378.226 2.844 20 5 GFBDRN O=C(NC[C@H](O)Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754636893 655870545 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CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c(F)cc(F)cc1F ZINC000758406763 655931427 /nfs/dbraw/zinc/93/14/27/655931427.db2.gz ANTFFWCKJTYIEF-UHFFFAOYSA-N 0 0 375.280 2.982 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000758466045 655933563 /nfs/dbraw/zinc/93/35/63/655933563.db2.gz KDOVJFSXVOAJIN-UHFFFAOYSA-N 0 0 392.861 2.909 20 5 GFBDRN COC(=O)c1ncccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000758563157 655935928 /nfs/dbraw/zinc/93/59/28/655935928.db2.gz HADSQHMTJOVUJM-UHFFFAOYSA-N 0 0 386.769 2.506 20 5 GFBDRN CC(C)S(=O)(=O)CCCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000758957322 655944151 /nfs/dbraw/zinc/94/41/51/655944151.db2.gz PWUBEOUSILQDFQ-UHFFFAOYSA-N 0 0 394.243 2.727 20 5 GFBDRN Cn1nc(Br)cc1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000759581222 655957654 /nfs/dbraw/zinc/95/76/54/655957654.db2.gz SIHUPMSTURVUFL-GXSJLCMTSA-N 0 0 398.217 2.628 20 5 GFBDRN CN(CCCNC(=O)C1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000760044721 655968024 /nfs/dbraw/zinc/96/80/24/655968024.db2.gz CNOUIQXRGWGTTL-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN CCOC(=O)CC[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000760286329 655974444 /nfs/dbraw/zinc/97/44/44/655974444.db2.gz KAQPWYMEJACJQT-VIFPVBQESA-N 0 0 380.369 2.735 20 5 GFBDRN O=C(NCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1Br ZINC000760793905 655991853 /nfs/dbraw/zinc/99/18/53/655991853.db2.gz QAMOIVQTDZGRDW-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN Cn1ccc(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)n1 ZINC000760965631 655995227 /nfs/dbraw/zinc/99/52/27/655995227.db2.gz FSXUFXUPNFHXIU-UHFFFAOYSA-N 0 0 387.621 2.717 20 5 GFBDRN COc1cc(CS(=O)(=O)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000840935313 661212221 /nfs/dbraw/zinc/21/22/21/661212221.db2.gz LPVUTWPOZCJFCK-HNNXBMFYSA-N 0 0 385.825 2.905 20 5 GFBDRN O=C1S/C(=C\c2cccs2)C(=O)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000762192290 656035590 /nfs/dbraw/zinc/03/55/90/656035590.db2.gz CALSJCSQMISBMO-WQLSENKSSA-N 0 0 377.403 2.555 20 5 GFBDRN O=C1S/C(=C/c2cccs2)C(=O)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000762192298 656035672 /nfs/dbraw/zinc/03/56/72/656035672.db2.gz CALSJCSQMISBMO-XYOKQWHBSA-N 0 0 377.403 2.555 20 5 GFBDRN O=[N+]([O-])c1ccc(OCc2nc(Cn3cc(Br)cn3)no2)cc1F ZINC000762236632 656036859 /nfs/dbraw/zinc/03/68/59/656036859.db2.gz DTXGKPMOFICPOT-UHFFFAOYSA-N 0 0 398.148 2.703 20 5 GFBDRN COc1cc(Br)n(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000762475491 656043579 /nfs/dbraw/zinc/04/35/79/656043579.db2.gz MDXAIHJRENEZJH-UHFFFAOYSA-N 0 0 389.593 2.855 20 5 GFBDRN COc1cc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000762677679 656055174 /nfs/dbraw/zinc/05/51/74/656055174.db2.gz YYJHFTBEJWVDJU-ONERCXAPSA-N 0 0 384.479 2.721 20 5 GFBDRN COc1cc(C(C)=O)c(OC)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000763365686 656080891 /nfs/dbraw/zinc/08/08/91/656080891.db2.gz NIVKAERGBSAYJI-UHFFFAOYSA-N 0 0 387.391 2.644 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCN1CCSCC1 ZINC000764678373 656116698 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O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)c1cncc(Br)c1 ZINC000766562358 656176142 /nfs/dbraw/zinc/17/61/42/656176142.db2.gz ACQSHYDOQONGCZ-UHFFFAOYSA-N 0 0 377.147 2.659 20 5 GFBDRN Cc1cc(Cl)ncc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000766804715 656184321 /nfs/dbraw/zinc/18/43/21/656184321.db2.gz VWQYYCMWERDHLY-UHFFFAOYSA-N 0 0 380.813 2.781 20 5 GFBDRN O=[N+]([O-])c1cnn(CCS(=O)(=O)Cc2nc(-c3ccccc3)cs2)c1 ZINC000766876538 656186942 /nfs/dbraw/zinc/18/69/42/656186942.db2.gz QCNKKCUKHQEKQB-UHFFFAOYSA-N 0 0 378.435 2.530 20 5 GFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCC(Cl)(Cl)Cl ZINC000767444788 656203149 /nfs/dbraw/zinc/20/31/49/656203149.db2.gz LCAKLYJTRKMXFW-UHFFFAOYSA-N 0 0 397.598 2.624 20 5 GFBDRN CN1Cc2cc(OS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2C1=O ZINC000768550542 656241940 /nfs/dbraw/zinc/24/19/40/656241940.db2.gz CSMKGCYHUIVJPE-UHFFFAOYSA-N 0 0 382.781 2.602 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccnc(Br)c1N ZINC000768597285 656243940 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COc1ccc(C(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 ZINC000769825415 656293403 /nfs/dbraw/zinc/29/34/03/656293403.db2.gz JPGOTASHYNOZPL-UHFFFAOYSA-N 0 0 395.165 2.801 20 5 GFBDRN COC(=O)[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccccc1 ZINC000769833278 656294086 /nfs/dbraw/zinc/29/40/86/656294086.db2.gz NYGKKHATDQHVFQ-CYBMUJFWSA-N 0 0 395.165 2.823 20 5 GFBDRN CC(C)Cc1noc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])n1 ZINC000769837589 656294475 /nfs/dbraw/zinc/29/44/75/656294475.db2.gz CKTHGNFLUSGATH-UHFFFAOYSA-N 0 0 385.174 2.691 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)cs1 ZINC000770298523 656315709 /nfs/dbraw/zinc/31/57/09/656315709.db2.gz HRCFQVAPYMMHHC-VIFPVBQESA-N 0 0 377.494 2.592 20 5 GFBDRN O=C(OCc1nc2cccnc2[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770529336 656322125 /nfs/dbraw/zinc/32/21/25/656322125.db2.gz ISQBHYVCYSBVOC-UHFFFAOYSA-N 0 0 377.154 2.986 20 5 GFBDRN Cc1nn2cc(S(=O)(=O)Oc3ccc(C)cc3[N+](=O)[O-])cnc2c1Cl ZINC000770552231 656322910 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COC(=O)Nc1ccc(S(=O)(=O)NCc2sccc2C)cc1[N+](=O)[O-] ZINC000777908912 656841704 /nfs/dbraw/zinc/84/17/04/656841704.db2.gz NASHZGKTSAKQIM-UHFFFAOYSA-N 0 0 385.423 2.622 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccsc1)N(C)C ZINC000777961022 656847208 /nfs/dbraw/zinc/84/72/08/656847208.db2.gz RKNMFXXWPLPXSQ-CQSZACIVSA-N 0 0 387.458 2.685 20 5 GFBDRN CNS(=O)(=O)c1csc(C(=O)O[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000778815979 656891639 /nfs/dbraw/zinc/89/16/39/656891639.db2.gz CRQFHAWDGZGDLR-JTQLQIEISA-N 0 0 384.435 2.791 20 5 GFBDRN Cc1nccn1CCCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000778838928 656893145 /nfs/dbraw/zinc/89/31/45/656893145.db2.gz GETXQVFCFMELCN-UHFFFAOYSA-N 0 0 383.202 2.894 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000779104732 656899304 /nfs/dbraw/zinc/89/93/04/656899304.db2.gz QJIUOTHWTAVQHE-UHFFFAOYSA-N 0 0 385.163 2.674 20 5 GFBDRN CNC(=O)c1ccccc1OS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779877827 656952504 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389.145 2.531 20 5 GFBDRN Cc1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000782185185 657111025 /nfs/dbraw/zinc/11/10/25/657111025.db2.gz BVDJMPXXHBSUMC-UHFFFAOYSA-N 0 0 384.797 2.561 20 5 GFBDRN Cc1ccc(S(N)(=O)=O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000782348312 657132303 /nfs/dbraw/zinc/13/23/03/657132303.db2.gz SVMFJEKGZDVHHX-UHFFFAOYSA-N 0 0 384.797 2.561 20 5 GFBDRN COc1cc(Br)ccc1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000782440074 657144857 /nfs/dbraw/zinc/14/48/57/657144857.db2.gz ONXAAIQIWNYWNE-UHFFFAOYSA-N 0 0 398.213 2.738 20 5 GFBDRN CC1(C(=O)Oc2cc([N+](=O)[O-])ccc2I)CCOCC1 ZINC000782664441 657171219 /nfs/dbraw/zinc/17/12/19/657171219.db2.gz HORMUKHMRRUGRK-UHFFFAOYSA-N 0 0 391.161 2.922 20 5 GFBDRN Cc1cc(C(=O)Oc2cc([N+](=O)[O-])ccc2I)c(C)nn1 ZINC000782663541 657171413 /nfs/dbraw/zinc/17/14/13/657171413.db2.gz AJNPZVKWKJVWOE-UHFFFAOYSA-N 0 0 399.144 2.825 20 5 GFBDRN CC(C)Oc1nn(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=S)s1 ZINC000782859283 657187045 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O=C(OCCn1ccc([N+](=O)[O-])n1)c1c(F)ccc(Br)c1F ZINC000785215653 657348432 /nfs/dbraw/zinc/34/84/32/657348432.db2.gz WREHMGSBZYSWAY-UHFFFAOYSA-N 0 0 376.113 2.689 20 5 GFBDRN COC[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000785310266 657354102 /nfs/dbraw/zinc/35/41/02/657354102.db2.gz TUVXZLFVIPHWNK-GFCCVEGCSA-N 0 0 376.843 2.976 20 5 GFBDRN O=C(COc1cc([N+](=O)[O-])ccc1Br)NCCOc1ccccc1 ZINC000786744317 657458495 /nfs/dbraw/zinc/45/84/95/657458495.db2.gz QIZZABFJAGABBN-UHFFFAOYSA-N 0 0 395.209 2.931 20 5 GFBDRN CO[C@]1(C(F)(F)F)CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786803111 657466615 /nfs/dbraw/zinc/46/66/15/657466615.db2.gz GEBYTXLNTQWFFU-CYBMUJFWSA-N 0 0 382.360 2.546 20 5 GFBDRN CCOCCCn1nc(I)c2ccc([N+](=O)[O-])cc21 ZINC000786875230 657478625 /nfs/dbraw/zinc/47/86/25/657478625.db2.gz IDZGZMRZMIMRKF-UHFFFAOYSA-N 0 0 375.166 2.976 20 5 GFBDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000787421761 657554739 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GFBDRN CC[C@@H](C)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000153407960 551451486 /nfs/dbraw/zinc/45/14/86/551451486.db2.gz UXJOZMXLWODXFL-YMTOWFKASA-N 0 0 387.230 2.604 20 5 GFBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1c[nH]c2ccccc12 ZINC000153444289 551452800 /nfs/dbraw/zinc/45/28/00/551452800.db2.gz VKVNFPWMTUVXMZ-UHFFFAOYSA-N 0 0 376.166 2.883 20 5 GFBDRN Cc1nn(CCC(=O)N(C)Cc2cc(Br)cn2C)c(C)c1[N+](=O)[O-] ZINC000153594110 551456616 /nfs/dbraw/zinc/45/66/16/551456616.db2.gz HZXWJCXZRNLFRQ-UHFFFAOYSA-N 0 0 398.261 2.558 20 5 GFBDRN CCS[C@H](C)c1noc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)n1 ZINC000154337671 551472311 /nfs/dbraw/zinc/47/23/11/551472311.db2.gz XNTNEMPSXWTULH-SSDOTTSWSA-N 0 0 389.231 2.764 20 5 GFBDRN CSC[C@@](C)(O)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155127709 551492158 /nfs/dbraw/zinc/49/21/58/551492158.db2.gz TWFUGTVGSMXEKW-LBPRGKRZSA-N 0 0 378.248 2.593 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000155877007 551509837 /nfs/dbraw/zinc/50/98/37/551509837.db2.gz RCNQWEXXQYOKQL-GLQYFDAESA-N 0 0 386.857 2.793 20 5 GFBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000157801850 551542870 /nfs/dbraw/zinc/54/28/70/551542870.db2.gz AWMFEKCAGHYGBJ-HNNXBMFYSA-N 0 0 381.230 2.627 20 5 GFBDRN C[C@H](NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc(F)cc1 ZINC000158372329 551551166 /nfs/dbraw/zinc/55/11/66/551551166.db2.gz LAINDRBQQLDQIH-VIFPVBQESA-N 0 0 398.188 2.536 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1nc(C(F)(F)F)cs1 ZINC000163526050 551620679 /nfs/dbraw/zinc/62/06/79/551620679.db2.gz CAKAOBMCXRIZIX-UHFFFAOYSA-N 0 0 395.384 2.732 20 5 GFBDRN CC(C)Oc1cc(Br)ccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164483211 551625929 /nfs/dbraw/zinc/62/59/29/551625929.db2.gz VESMKJBQCCAJRN-UHFFFAOYSA-N 0 0 397.229 2.771 20 5 GFBDRN O=C(c1ccc(Br)cn1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171130652 551647981 /nfs/dbraw/zinc/64/79/81/551647981.db2.gz CAJDJNUMWVALMV-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN COc1cc(CCNc2ncc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000171757062 551662745 /nfs/dbraw/zinc/66/27/45/551662745.db2.gz NAQDHBWDVOPPGY-UHFFFAOYSA-N 0 0 383.202 2.819 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000173963035 552095853 /nfs/dbraw/zinc/09/58/53/552095853.db2.gz OCQONVKIQWDHFD-UHFFFAOYSA-N 0 0 380.760 2.627 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC000174030757 552097664 /nfs/dbraw/zinc/09/76/64/552097664.db2.gz GOMASRRWUROXAE-UHFFFAOYSA-N 0 0 381.357 2.591 20 5 GFBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175420130 552121389 /nfs/dbraw/zinc/12/13/89/552121389.db2.gz XRMLUXBCAJCGAD-YYUOZPCZSA-N 0 0 382.463 2.714 20 5 GFBDRN COC(=O)c1cc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)oc1C ZINC000178497447 552171413 /nfs/dbraw/zinc/17/14/13/552171413.db2.gz PASQLLSBTTUKMN-UHFFFAOYSA-N 0 0 397.181 2.975 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000178790175 552175254 /nfs/dbraw/zinc/17/52/54/552175254.db2.gz BTBUQTVFQJEIIG-NSHDSACASA-N 0 0 399.241 2.891 20 5 GFBDRN Cc1cnc([C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000178953684 552180147 /nfs/dbraw/zinc/18/01/47/552180147.db2.gz ZGONPVOAFYSGAL-HNNXBMFYSA-N 0 0 381.479 2.973 20 5 GFBDRN C[C@H](NC(=O)c1cnn2cc(Br)cnc12)c1cccc([N+](=O)[O-])c1 ZINC000179445430 552193587 /nfs/dbraw/zinc/19/35/87/552193587.db2.gz DEFINXROEIXPLS-VIFPVBQESA-N 0 0 390.197 2.891 20 5 GFBDRN O=C(NC1CCSCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000179710157 552200805 /nfs/dbraw/zinc/20/08/05/552200805.db2.gz XPOPYQBEOFUGNX-UHFFFAOYSA-N 0 0 392.218 2.825 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccnc(N2CCOCC2)c1 ZINC000179754317 552201794 /nfs/dbraw/zinc/20/17/94/552201794.db2.gz NBFWXHNUPWWNNR-UHFFFAOYSA-N 0 0 394.229 2.596 20 5 GFBDRN NC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCCC1 ZINC000180348254 552223578 /nfs/dbraw/zinc/22/35/78/552223578.db2.gz JIWWARAEKBHBOR-LBPRGKRZSA-N 0 0 398.257 2.911 20 5 GFBDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1-c1ccc([N+](=O)[O-])s1 ZINC000180730734 552234025 /nfs/dbraw/zinc/23/40/25/552234025.db2.gz XIQDOSRZPKWLON-UHFFFAOYSA-N 0 0 380.451 2.943 20 5 GFBDRN COCCOc1c(Cl)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000180873229 552238316 /nfs/dbraw/zinc/23/83/16/552238316.db2.gz KHYYAPRRXWKVOR-UHFFFAOYSA-N 0 0 375.168 2.902 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1cccc(Br)c1 ZINC000181127337 552247493 /nfs/dbraw/zinc/24/74/93/552247493.db2.gz YCKOCEJFPYETKN-HNNXBMFYSA-N 0 0 379.210 2.750 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nnc(-c3ccc(Cl)s3)o2)c1 ZINC000181155252 552248598 /nfs/dbraw/zinc/24/85/98/552248598.db2.gz VXTZJAOYRYOQRP-MRVPVSSYSA-N 0 0 387.830 2.709 20 5 GFBDRN CN(Cc1cc(Br)cn1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181324552 552253649 /nfs/dbraw/zinc/25/36/49/552253649.db2.gz COPVKLIJOYTOMD-UHFFFAOYSA-N 0 0 396.197 2.697 20 5 GFBDRN O=c1c(I)cc(F)cn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000182236507 552279056 /nfs/dbraw/zinc/27/90/56/552279056.db2.gz LYJVUGXVGOGWHF-UHFFFAOYSA-N 0 0 392.099 2.688 20 5 GFBDRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000182495355 552285441 /nfs/dbraw/zinc/28/54/41/552285441.db2.gz IPIVNIRHEUXSAO-CQSZACIVSA-N 0 0 385.825 2.603 20 5 GFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000182803169 552293477 /nfs/dbraw/zinc/29/34/77/552293477.db2.gz IMDVWVSEDUMEPI-UHFFFAOYSA-N 0 0 379.722 2.988 20 5 GFBDRN Cc1cc(I)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000182904165 552295832 /nfs/dbraw/zinc/29/58/32/552295832.db2.gz KKILBYLGSBQBOC-UHFFFAOYSA-N 0 0 398.156 2.552 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(Br)c1O ZINC000182922955 552296330 /nfs/dbraw/zinc/29/63/30/552296330.db2.gz GUPFOLPMODGSEC-UHFFFAOYSA-N 0 0 383.202 2.905 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000182949899 552296873 /nfs/dbraw/zinc/29/68/73/552296873.db2.gz XKLUBBDIXJCYMS-UHFFFAOYSA-N 0 0 375.328 2.993 20 5 GFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000183128110 552301029 /nfs/dbraw/zinc/30/10/29/552301029.db2.gz AOGXAKHBWONDEA-AWEZNQCLSA-N 0 0 386.426 2.866 20 5 GFBDRN C[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000183840484 552320571 /nfs/dbraw/zinc/32/05/71/552320571.db2.gz WZEWRYFPSRGPKB-CYBMUJFWSA-N 0 0 381.479 2.724 20 5 GFBDRN COc1cccc(NCCNS(=O)(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000185166988 552356463 /nfs/dbraw/zinc/35/64/63/552356463.db2.gz WYIVQHCECPSDPJ-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCSC[C@H]1c1nccs1 ZINC000185407772 552362516 /nfs/dbraw/zinc/36/25/16/552362516.db2.gz XOAWZAPTVTXBQP-ZDUSSCGKSA-N 0 0 385.492 2.671 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)c(F)c1 ZINC000185428163 552363246 /nfs/dbraw/zinc/36/32/46/552363246.db2.gz PJTZLKDTCXONSK-LLVKDONJSA-N 0 0 389.455 2.669 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000185426005 552363267 /nfs/dbraw/zinc/36/32/67/552363267.db2.gz PEWBQGAOUYMPPF-CYBMUJFWSA-N 0 0 385.492 2.671 20 5 GFBDRN COc1nc(C)c(Br)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000186200973 552381756 /nfs/dbraw/zinc/38/17/56/552381756.db2.gz QAAYGOOIPBPADR-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN Cc1cc(Br)cc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000188076836 552433899 /nfs/dbraw/zinc/43/38/99/552433899.db2.gz WNMMNWAYHITDRX-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN CCOC(=O)[C@@H](C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000189378880 552470389 /nfs/dbraw/zinc/47/03/89/552470389.db2.gz OJRHAKOPQAVVKI-SNVBAGLBSA-N 0 0 399.241 2.842 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)NCCOc2ncccc2Cl)c1[N+](=O)[O-] ZINC000190074044 552486817 /nfs/dbraw/zinc/48/68/17/552486817.db2.gz ICVHIOKSSQJBKU-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN CCc1ccc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCO2)cc1 ZINC000190408602 552495379 /nfs/dbraw/zinc/49/53/79/552495379.db2.gz CUVFDMHAGJGEBA-AWEZNQCLSA-N 0 0 382.463 2.981 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)COc1ccccc1Br ZINC000192694387 552971919 /nfs/dbraw/zinc/97/19/19/552971919.db2.gz VVAWWHYBTRIKMI-LLVKDONJSA-N 0 0 399.245 2.734 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CC(F)F ZINC000193605967 552998193 /nfs/dbraw/zinc/99/81/93/552998193.db2.gz GPYKKBFUOYXERP-UHFFFAOYSA-N 0 0 384.120 2.845 20 5 GFBDRN COC(=O)CC1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCCC1 ZINC000193887100 553005852 /nfs/dbraw/zinc/00/58/52/553005852.db2.gz HEMQPSVNRVHSOY-UHFFFAOYSA-N 0 0 385.214 2.963 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000194106810 553011785 /nfs/dbraw/zinc/01/17/85/553011785.db2.gz WNTAHSLZDWLOEN-VIFPVBQESA-N 0 0 381.230 2.760 20 5 GFBDRN CN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000195278736 553043803 /nfs/dbraw/zinc/04/38/03/553043803.db2.gz QJKYNGJDTVJQLW-UHFFFAOYSA-N 0 0 388.083 2.834 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCCSCCCO ZINC000230903763 553065855 /nfs/dbraw/zinc/06/58/55/553065855.db2.gz GYSXNFMESSWHAV-UHFFFAOYSA-N 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2.661 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000416438373 563828793 /nfs/dbraw/zinc/82/87/93/563828793.db2.gz JZTLBQVWUVSNKJ-CMPLNLGQSA-N 0 0 382.360 2.850 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416486926 563837262 /nfs/dbraw/zinc/83/72/62/563837262.db2.gz HWKCTMQZMSUQTN-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN Cc1c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000367285785 563839104 /nfs/dbraw/zinc/83/91/04/563839104.db2.gz LCXXKFAIZBMONZ-CQSZACIVSA-N 0 0 384.845 2.816 20 5 GFBDRN Cc1cc(Br)ccc1-c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000445467909 563849667 /nfs/dbraw/zinc/84/96/67/563849667.db2.gz NZJOKIIPTVZHLG-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccccc2I)n1 ZINC000445582375 563850830 /nfs/dbraw/zinc/85/08/30/563850830.db2.gz ICCLMAHYGRBIJD-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN Cc1nc([N+](=O)[O-])c(-c2noc(-c3n[nH]c(C(C)C)c3Br)n2)n1C ZINC000445617552 563851505 /nfs/dbraw/zinc/85/15/05/563851505.db2.gz ZZNPJNZUJLYQPO-UHFFFAOYSA-N 0 0 396.205 2.963 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000445713482 563852401 /nfs/dbraw/zinc/85/24/01/563852401.db2.gz FWVFVUOTSLYESM-NSHDSACASA-N 0 0 383.253 2.683 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC([C@@H]3CCOC3)CC2)cc1Cl ZINC000367719897 563852971 /nfs/dbraw/zinc/85/29/71/563852971.db2.gz JSVBHKDNFAGZGL-LLVKDONJSA-N 0 0 392.836 2.825 20 5 GFBDRN COc1cc(S(=O)(=O)NCc2cccc(CSC)c2)ccc1[N+](=O)[O-] ZINC000445743454 563853711 /nfs/dbraw/zinc/85/37/11/563853711.db2.gz PRYUIJMOIRXTKY-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000416657365 563858440 /nfs/dbraw/zinc/85/84/40/563858440.db2.gz YHICJCKLWKBIGV-UHFFFAOYSA-N 0 0 382.360 2.635 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccncc1I ZINC000446169440 563859676 /nfs/dbraw/zinc/85/96/76/563859676.db2.gz GSYTUVFGCZBARO-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN CSCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447014256 563872547 /nfs/dbraw/zinc/87/25/47/563872547.db2.gz BRKWODQUFZPFLD-UHFFFAOYSA-N 0 0 383.289 2.779 20 5 GFBDRN Cc1cnc([C@@H]2CCCCN2c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000368573560 563874202 /nfs/dbraw/zinc/87/42/02/563874202.db2.gz UEYCROOZLNNSSF-ZDUSSCGKSA-N 0 0 382.467 2.739 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000368597916 563875397 /nfs/dbraw/zinc/87/53/97/563875397.db2.gz LKKLYIMIKSRTMI-GFCCVEGCSA-N 0 0 380.202 2.843 20 5 GFBDRN O=C(Cc1cc[nH]c(=O)c1Br)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447192197 563876734 /nfs/dbraw/zinc/87/67/34/563876734.db2.gz JEDWNXXAHKECEE-UHFFFAOYSA-N 0 0 378.182 2.590 20 5 GFBDRN Cc1csc(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000368707133 563877691 /nfs/dbraw/zinc/87/76/91/563877691.db2.gz KVGXGLGTHGFZFT-UHFFFAOYSA-N 0 0 382.467 2.625 20 5 GFBDRN COC[C@H]1CCCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000368775467 563878760 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O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCn2ncnc2C1 ZINC000472646848 564230061 /nfs/dbraw/zinc/23/00/61/564230061.db2.gz CSKPBKYFQSGRLA-UHFFFAOYSA-N 0 0 375.186 2.517 20 5 GFBDRN CC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000564384187 564231031 /nfs/dbraw/zinc/23/10/31/564231031.db2.gz JVHBEDGPPZSVTP-UHFFFAOYSA-N 0 0 376.194 2.810 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(Sc2ncc([N+](=O)[O-])cc2C)nc1 ZINC000539990636 564236165 /nfs/dbraw/zinc/23/61/65/564236165.db2.gz KPKLDDVGTQXRLN-UHFFFAOYSA-N 0 0 382.467 2.875 20 5 GFBDRN CC(C)CS(=O)(=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564554402 564238600 /nfs/dbraw/zinc/23/86/00/564238600.db2.gz NREZJAHTIYCYCO-UHFFFAOYSA-N 0 0 383.207 2.770 20 5 GFBDRN CO[C@@H]1COCC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000450688157 564243733 /nfs/dbraw/zinc/24/37/33/564243733.db2.gz BXJSDXAYBSKLMY-TVQRCGJNSA-N 0 0 392.193 2.663 20 5 GFBDRN CO[C@@H]1COCC[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000450688155 564243996 /nfs/dbraw/zinc/24/39/96/564243996.db2.gz BXJSDXAYBSKLMY-NOZJJQNGSA-N 0 0 392.193 2.663 20 5 GFBDRN COCCO[C@H]1COCC[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473514901 564248625 /nfs/dbraw/zinc/24/86/25/564248625.db2.gz ZEHBXDQGYRHYOK-DOMZBBRYSA-N 0 0 389.246 2.898 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000450869568 564251952 /nfs/dbraw/zinc/25/19/52/564251952.db2.gz XWACIZWYBRBMLY-IINYFYTJSA-N 0 0 383.451 2.636 20 5 GFBDRN C[C@H]1CN(CC(F)(F)F)CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450872186 564252320 /nfs/dbraw/zinc/25/23/20/564252320.db2.gz OFCXVYQMSKGKBB-VIFPVBQESA-N 0 0 375.376 2.920 20 5 GFBDRN CC(C)(C)N1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000565005901 564261982 /nfs/dbraw/zinc/26/19/82/564261982.db2.gz AGXVLCNYRPQHQJ-LLVKDONJSA-N 0 0 385.873 2.856 20 5 GFBDRN Cn1cc(Br)c(=O)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000541270068 564271781 /nfs/dbraw/zinc/27/17/81/564271781.db2.gz KFKQUYHSPPIGMM-UHFFFAOYSA-N 0 0 398.238 2.787 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(F)c(F)c2F)c(F)c1 ZINC000541312335 564274115 /nfs/dbraw/zinc/27/41/15/564274115.db2.gz SVSZKECHFXTHQN-UHFFFAOYSA-N 0 0 378.303 2.672 20 5 GFBDRN CCOC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000474392862 564276899 /nfs/dbraw/zinc/27/68/99/564276899.db2.gz OTYRGYYVQAPOGH-LBPRGKRZSA-N 0 0 395.275 2.697 20 5 GFBDRN CC(C)(CS(C)(=O)=O)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475181166 564302350 /nfs/dbraw/zinc/30/23/50/564302350.db2.gz BLEQNBACHKGFBN-UHFFFAOYSA-N 0 0 383.348 2.558 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000509631149 564307083 /nfs/dbraw/zinc/30/70/83/564307083.db2.gz DMJICNKIBJBDEZ-AWEZNQCLSA-N 0 0 392.209 2.622 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](CO)Cc1ccco1 ZINC000542328468 564310346 /nfs/dbraw/zinc/31/03/46/564310346.db2.gz RMZQUZSOKLIFMA-NSHDSACASA-N 0 0 384.841 2.901 20 5 GFBDRN Cc1c(Br)c(NCc2ccc(-n3cncn3)cc2)ncc1[N+](=O)[O-] ZINC000542508408 564316196 /nfs/dbraw/zinc/31/61/96/564316196.db2.gz RPIQWTSIUCHDMC-UHFFFAOYSA-N 0 0 389.213 2.675 20 5 GFBDRN Cc1c(Br)c(N2CC[C@@H](Cc3cnn(C)c3)C2)ncc1[N+](=O)[O-] ZINC000542505926 564316497 /nfs/dbraw/zinc/31/64/97/564316497.db2.gz CRXPODQTMPHWDQ-NSHDSACASA-N 0 0 380.246 2.863 20 5 GFBDRN O=C(Cc1cccc(Br)c1)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000475891347 564323368 /nfs/dbraw/zinc/32/33/68/564323368.db2.gz HQYDQRDMEBPXPZ-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN C[C@H]1OCCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000566530690 564330873 /nfs/dbraw/zinc/33/08/73/564330873.db2.gz FPFNTKGSQZLDCM-NXEZZACHSA-N 0 0 376.194 2.809 20 5 GFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CSc3ccccc32)cc1 ZINC000451616078 564332027 /nfs/dbraw/zinc/33/20/27/564332027.db2.gz YMNHFINSTYZGFQ-CQSZACIVSA-N 0 0 378.475 2.946 20 5 GFBDRN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542928581 564332398 /nfs/dbraw/zinc/33/23/98/564332398.db2.gz SCTRNYWZNXRSHV-JTQLQIEISA-N 0 0 381.841 2.847 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451653450 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384.435 2.857 20 5 GFBDRN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1[NH+]1CCCC1 ZINC000567169248 564360276 /nfs/dbraw/zinc/36/02/76/564360276.db2.gz KOOMFCFNTJTVFO-KBPBESRZSA-N 0 0 385.873 2.606 20 5 GFBDRN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])o1 ZINC000477127867 564366335 /nfs/dbraw/zinc/36/63/35/564366335.db2.gz PKLDUTOYZOQNDG-UHFFFAOYSA-N 0 0 393.153 2.930 20 5 GFBDRN COc1ccc(NC(=O)CCn2cc(Br)ccc2=O)c([N+](=O)[O-])c1 ZINC000477142141 564366924 /nfs/dbraw/zinc/36/69/24/564366924.db2.gz UJLKELBVOABKHO-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000451929070 564368337 /nfs/dbraw/zinc/36/83/37/564368337.db2.gz SKQBHSCUSICCQF-AGIUHOORSA-N 0 0 388.873 2.728 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NCC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000511379958 564369746 /nfs/dbraw/zinc/36/97/46/564369746.db2.gz GFJXGODPYHKPAC-UHFFFAOYSA-N 0 0 386.323 2.753 20 5 GFBDRN Cc1cc(F)c(C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1F ZINC000477540863 564380201 /nfs/dbraw/zinc/38/02/01/564380201.db2.gz WDTFKPVQERPMAL-UHFFFAOYSA-N 0 0 387.136 2.989 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452089308 564391062 /nfs/dbraw/zinc/39/10/62/564391062.db2.gz PQSNGIVFECEVQH-ZDUSSCGKSA-N 0 0 388.492 2.900 20 5 GFBDRN NC(=O)C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000512522905 564404955 /nfs/dbraw/zinc/40/49/55/564404955.db2.gz ATBQTJNYSDAWBG-AWEZNQCLSA-N 0 0 392.209 2.704 20 5 GFBDRN NC(=O)C[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000512529360 564405279 /nfs/dbraw/zinc/40/52/79/564405279.db2.gz RUPLDBBNXQMGAV-VIFPVBQESA-N 0 0 398.238 2.765 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](CO)c2cccc(Cl)c2F)s1 ZINC000513055670 564419198 /nfs/dbraw/zinc/41/91/98/564419198.db2.gz BIAZSHMGCQMKNS-VIFPVBQESA-N 0 0 394.833 2.998 20 5 GFBDRN CN1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1=O ZINC000545741894 564431809 /nfs/dbraw/zinc/43/18/09/564431809.db2.gz GAAUSXXMMTYODI-JTQLQIEISA-N 0 0 395.213 2.667 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000545829869 564433465 /nfs/dbraw/zinc/43/34/65/564433465.db2.gz ONCOKTXVCPCBFE-DEOSSOPVSA-N 0 0 382.463 2.891 20 5 GFBDRN CO[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000546051555 564441089 /nfs/dbraw/zinc/44/10/89/564441089.db2.gz UGYAKIVNDUIDGC-ZDUSSCGKSA-N 0 0 385.829 2.695 20 5 GFBDRN Cc1c(CN[C@@H](C(N)=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000479464505 564441701 /nfs/dbraw/zinc/44/17/01/564441701.db2.gz PBMUKAVZSXNRJL-OAHLLOKOSA-N 0 0 378.226 2.982 20 5 GFBDRN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602014 564450864 /nfs/dbraw/zinc/45/08/64/564450864.db2.gz CZWQSDXNQSPVDL-WCBMZHEXSA-N 0 0 382.269 2.697 20 5 GFBDRN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000514905912 564462121 /nfs/dbraw/zinc/46/21/21/564462121.db2.gz RAJZXARYTGSVQR-SECBINFHSA-N 0 0 380.202 2.708 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000546644259 564463681 /nfs/dbraw/zinc/46/36/81/564463681.db2.gz NRQHZAVDIHWFDN-SECBINFHSA-N 0 0 388.389 2.697 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480409449 564471852 /nfs/dbraw/zinc/47/18/52/564471852.db2.gz IQNYAXITCFREAF-UKRRQHHQSA-N 0 0 384.219 2.970 20 5 GFBDRN CC[C@@H](C)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000515379053 564477682 /nfs/dbraw/zinc/47/76/82/564477682.db2.gz FVRPAYXDBWKJFE-MWLCHTKSSA-N 0 0 378.834 2.504 20 5 GFBDRN C[C@@]1(O)CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000480599205 564479121 /nfs/dbraw/zinc/47/91/21/564479121.db2.gz CNHBMKXIOFWKPD-CYBMUJFWSA-N 0 0 383.253 2.827 20 5 GFBDRN CC[C@@H](CSC)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515491559 564481064 /nfs/dbraw/zinc/48/10/64/564481064.db2.gz IDVWDKTZMBGFJN-VIFPVBQESA-N 0 0 390.259 2.554 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000481533113 564516201 /nfs/dbraw/zinc/51/62/01/564516201.db2.gz KBQBVFUFDURDKC-UHFFFAOYSA-N 0 0 379.214 2.900 20 5 GFBDRN CS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000517408401 564532559 /nfs/dbraw/zinc/53/25/59/564532559.db2.gz LCCOOVLRUHLBJE-UHFFFAOYSA-N 0 0 380.769 2.764 20 5 GFBDRN Cc1sc(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)cc1[N+](=O)[O-] ZINC000518089933 564545870 /nfs/dbraw/zinc/54/58/70/564545870.db2.gz NTCHKOBAQATGEO-NSHDSACASA-N 0 0 381.841 2.692 20 5 GFBDRN CN(Cc1ccc(F)cc1Br)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000482796045 564549827 /nfs/dbraw/zinc/54/98/27/564549827.db2.gz OFVPOPDHZQYBMS-UHFFFAOYSA-N 0 0 384.161 2.869 20 5 GFBDRN C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)n1cncn1 ZINC000571608603 564559312 /nfs/dbraw/zinc/55/93/12/564559312.db2.gz RPBSLTSLTDFPFX-MRVPVSSYSA-N 0 0 379.174 2.532 20 5 GFBDRN Cc1c(Br)c(N2CCC(NC(=O)C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000548613928 564567665 /nfs/dbraw/zinc/56/76/65/564567665.db2.gz JDEHXARRPJYALY-UHFFFAOYSA-N 0 0 383.246 2.556 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483843808 564575332 /nfs/dbraw/zinc/57/53/32/564575332.db2.gz XTNYMYNLTUVSJS-UHFFFAOYSA-N 0 0 393.241 2.643 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(C(F)(F)F)C2)c(Br)c1 ZINC000519745809 564588793 /nfs/dbraw/zinc/58/87/93/564588793.db2.gz OPPCIIQMZKVHBU-UHFFFAOYSA-N 0 0 389.149 2.540 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456278279 564598290 /nfs/dbraw/zinc/59/82/90/564598290.db2.gz PGMITMIACGFWRM-JTQLQIEISA-N 0 0 383.177 2.647 20 5 GFBDRN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(=O)n(C)c1 ZINC000484831508 564599966 /nfs/dbraw/zinc/59/99/66/564599966.db2.gz AGSYOUKJCUIEEA-UHFFFAOYSA-N 0 0 380.198 2.546 20 5 GFBDRN CN1c2ccc(Br)cc2N(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1(C)C ZINC000520544443 564607042 /nfs/dbraw/zinc/60/70/42/564607042.db2.gz HLCAONVPESRPHR-UHFFFAOYSA-N 0 0 394.229 2.956 20 5 GFBDRN CC(=O)Nc1nnc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000520623775 564609517 /nfs/dbraw/zinc/60/95/17/564609517.db2.gz TZZBCZZPJLTELM-UHFFFAOYSA-N 0 0 378.395 2.747 20 5 GFBDRN Cc1cc(Br)c(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)s1 ZINC000549991082 564612617 /nfs/dbraw/zinc/61/26/17/564612617.db2.gz UBFZNLUAKWLGKG-UHFFFAOYSA-N 0 0 392.256 2.947 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000520971082 564616617 /nfs/dbraw/zinc/61/66/17/564616617.db2.gz BEOZAMKYBKLBOX-UHFFFAOYSA-N 0 0 375.332 2.813 20 5 GFBDRN COC(=O)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000521058597 564617981 /nfs/dbraw/zinc/61/79/81/564617981.db2.gz PHKRUSAADRKVFP-JTQLQIEISA-N 0 0 385.214 2.676 20 5 GFBDRN CCCCN(C(=O)c1cccc(SC)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000485731451 564624477 /nfs/dbraw/zinc/62/44/77/564624477.db2.gz NARNWWZYOKGNKF-LBPRGKRZSA-N 0 0 386.495 2.746 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000521550966 564630339 /nfs/dbraw/zinc/63/03/39/564630339.db2.gz FDUPXQSVZFQBFM-UHFFFAOYSA-N 0 0 376.423 2.741 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@]2(CCOC2)C1 ZINC000456730333 564630887 /nfs/dbraw/zinc/63/08/87/564630887.db2.gz QBFHHXPYFNHVIP-MRXNPFEDSA-N 0 0 383.242 2.929 20 5 GFBDRN Cc1ccn(Cc2nc3ccc(Br)cc3n2C)c(=O)c1[N+](=O)[O-] ZINC000486012668 564635411 /nfs/dbraw/zinc/63/54/11/564635411.db2.gz BVUQZNUKBAHBAK-UHFFFAOYSA-N 0 0 377.198 2.762 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000486253006 564645570 /nfs/dbraw/zinc/64/55/70/564645570.db2.gz LKTZIPFIKKFVSC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000551443802 564650033 /nfs/dbraw/zinc/65/00/33/564650033.db2.gz VWEPLGLWXNHSRE-NXEZZACHSA-N 0 0 382.214 2.554 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000457277149 564653628 /nfs/dbraw/zinc/65/36/28/564653628.db2.gz OBSAUFCIKXOWFF-VXGBXAGGSA-N 0 0 383.857 2.610 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000551652876 564658880 /nfs/dbraw/zinc/65/88/80/564658880.db2.gz YYEFQOUKRYWAHI-UHFFFAOYSA-N 0 0 398.257 2.606 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(SC[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000523754723 564672473 /nfs/dbraw/zinc/67/24/73/564672473.db2.gz UQAZLKHEBMDYPG-LLVKDONJSA-N 0 0 390.483 2.527 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)CC(=O)OC)c([N+](=O)[O-])c1 ZINC000523752900 564672653 /nfs/dbraw/zinc/67/26/53/564672653.db2.gz XCZFBROSMYVVAJ-LLVKDONJSA-N 0 0 390.483 2.669 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(Br)c(C)c1 ZINC000457876253 564677157 /nfs/dbraw/zinc/67/71/57/564677157.db2.gz TYBNXHFERQMLFY-UHFFFAOYSA-N 0 0 381.230 2.877 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000457970746 564682476 /nfs/dbraw/zinc/68/24/76/564682476.db2.gz MOWQDQNCZLJCMH-UKRRQHHQSA-N 0 0 395.253 2.927 20 5 GFBDRN CC(C)(C)c1nnc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]1 ZINC000458018410 564684311 /nfs/dbraw/zinc/68/43/11/564684311.db2.gz HALGEEKGMPCRFB-UHFFFAOYSA-N 0 0 382.218 2.703 20 5 GFBDRN CCOC(=O)c1cnc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000524757082 564687040 /nfs/dbraw/zinc/68/70/40/564687040.db2.gz HJNODMDHHYBESP-UHFFFAOYSA-N 0 0 382.467 2.612 20 5 GFBDRN O=C(NCCn1cc(Br)cn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000552720925 564699216 /nfs/dbraw/zinc/69/92/16/564699216.db2.gz WMWNADUFXNJAHC-UHFFFAOYSA-N 0 0 394.229 2.558 20 5 GFBDRN COC(=O)[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])[C@H]1C ZINC000526052889 564717929 /nfs/dbraw/zinc/71/79/29/564717929.db2.gz MVDGXYCTGVEAFR-WCBMZHEXSA-N 0 0 390.177 2.587 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2c(cccc2Br)s1 ZINC000553407262 564719090 /nfs/dbraw/zinc/71/90/90/564719090.db2.gz DWPDMZNRLBSAQP-UHFFFAOYSA-N 0 0 382.199 2.802 20 5 GFBDRN COc1cc(OCC(=O)Nc2ccnc(C)c2Br)ccc1[N+](=O)[O-] ZINC000526099889 564720630 /nfs/dbraw/zinc/72/06/30/564720630.db2.gz HFLCNOARLRTOMC-UHFFFAOYSA-N 0 0 396.197 2.509 20 5 GFBDRN CC1(C)CCC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000527077056 564729429 /nfs/dbraw/zinc/72/94/29/564729429.db2.gz BAXPWEDUVYHRIT-HNNXBMFYSA-N 0 0 376.862 2.858 20 5 GFBDRN CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000553704276 564732632 /nfs/dbraw/zinc/73/26/32/564732632.db2.gz OHPFDCDPFDGNSX-MWLCHTKSSA-N 0 0 377.260 2.759 20 5 GFBDRN O=C(NCCCCn1cc(Br)cn1)NCc1cccc([N+](=O)[O-])c1 ZINC000527453604 564742971 /nfs/dbraw/zinc/74/29/71/564742971.db2.gz XEOXMRMFCIINRJ-UHFFFAOYSA-N 0 0 396.245 2.833 20 5 GFBDRN Cc1c(NC(=O)NCc2cc(Br)cnc2N)cccc1[N+](=O)[O-] ZINC000554349245 564757494 /nfs/dbraw/zinc/75/74/94/564757494.db2.gz RLGFBCYLPBXOSU-UHFFFAOYSA-N 0 0 380.202 2.795 20 5 GFBDRN O=C(Nc1ccc(O)cc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000490432971 564770638 /nfs/dbraw/zinc/77/06/38/564770638.db2.gz RWYMQJNMFKATFZ-UHFFFAOYSA-N 0 0 380.154 2.640 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000490557461 564776813 /nfs/dbraw/zinc/77/68/13/564776813.db2.gz PVRSHWQGUXFGPX-MEDUHNTESA-N 0 0 382.463 2.946 20 5 GFBDRN CN(C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554914318 564777646 /nfs/dbraw/zinc/77/76/46/564777646.db2.gz OUUQLRUDKUUJNE-INIZCTEOSA-N 0 0 383.857 2.829 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000581085890 564786789 /nfs/dbraw/zinc/78/67/89/564786789.db2.gz NLRJOWLZRLIKAU-CQSZACIVSA-N 0 0 392.209 2.622 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccsc1Br ZINC000555258481 564787500 /nfs/dbraw/zinc/78/75/00/564787500.db2.gz DRMHYDZYVIQMSD-UHFFFAOYSA-N 0 0 398.238 2.982 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000581566001 564807848 /nfs/dbraw/zinc/80/78/48/564807848.db2.gz QLIQQZAGUVMADS-RKDXNWHRSA-N 0 0 381.223 2.835 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000582025317 564827427 /nfs/dbraw/zinc/82/74/27/564827427.db2.gz JGQCRQRPZSAWRO-LLVKDONJSA-N 0 0 386.788 2.669 20 5 GFBDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000582083836 564830336 /nfs/dbraw/zinc/83/03/36/564830336.db2.gz PBXIFCAHWMIPQP-LLVKDONJSA-N 0 0 390.893 2.530 20 5 GFBDRN COc1cc(CCNS(=O)(=O)c2sccc2C)c([N+](=O)[O-])cc1OC ZINC000462456072 564840539 /nfs/dbraw/zinc/84/05/39/564840539.db2.gz PKSCHKVACRVMSH-UHFFFAOYSA-N 0 0 386.451 2.503 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000494894204 564843798 /nfs/dbraw/zinc/84/37/98/564843798.db2.gz YJUOXOPSGUJKKI-UHFFFAOYSA-N 0 0 392.209 2.965 20 5 GFBDRN CCCN(CC(=O)OCC)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462542652 564846338 /nfs/dbraw/zinc/84/63/38/564846338.db2.gz FLPRIOKKYVUBTC-UHFFFAOYSA-N 0 0 399.252 2.865 20 5 GFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000462541010 564846349 /nfs/dbraw/zinc/84/63/49/564846349.db2.gz XNHYRIATPZDUPE-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000497555475 564870975 /nfs/dbraw/zinc/87/09/75/564870975.db2.gz ZJLZLKHLQAFVLU-APXPCNQMSA-N 0 0 382.463 2.909 20 5 GFBDRN CS(=O)(=O)c1ccc(-c2nc(-c3ncsc3Cl)no2)cc1[N+](=O)[O-] ZINC000463180004 564871473 /nfs/dbraw/zinc/87/14/73/564871473.db2.gz ITYPOHAGPJPJPB-UHFFFAOYSA-N 0 0 386.798 2.825 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000557688147 564872221 /nfs/dbraw/zinc/87/22/21/564872221.db2.gz WREAVKHIFHUVBC-UHFFFAOYSA-N 0 0 381.376 2.672 20 5 GFBDRN COC(=O)CC1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000497788749 564876430 /nfs/dbraw/zinc/87/64/30/564876430.db2.gz YLBPSOFKFIUONC-UHFFFAOYSA-N 0 0 390.845 2.520 20 5 GFBDRN COC(=O)C1(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000557828644 564879766 /nfs/dbraw/zinc/87/97/66/564879766.db2.gz YBXVILDFEPTOAP-UHFFFAOYSA-N 0 0 390.845 2.711 20 5 GFBDRN Nc1c(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000558035334 564888638 /nfs/dbraw/zinc/88/86/38/564888638.db2.gz IITACOYJUPGFQG-GFCCVEGCSA-N 0 0 398.188 2.542 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000558319931 564898183 /nfs/dbraw/zinc/89/81/83/564898183.db2.gz QNVZBZBSGOYONJ-UHFFFAOYSA-N 0 0 384.223 2.899 20 5 GFBDRN CCCN(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000583586810 564898938 /nfs/dbraw/zinc/89/89/38/564898938.db2.gz JRVRQHJSFCQUIQ-UHFFFAOYSA-N 0 0 375.516 2.933 20 5 GFBDRN CCSCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000464692367 564915630 /nfs/dbraw/zinc/91/56/30/564915630.db2.gz RENIBXQDLMIEDO-NEPJUHHUSA-N 0 0 385.511 2.909 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531628161 564916237 /nfs/dbraw/zinc/91/62/37/564916237.db2.gz FVYTWYSSJXUVDS-GFCCVEGCSA-N 0 0 391.225 2.761 20 5 GFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCSC1 ZINC000465627691 564930417 /nfs/dbraw/zinc/93/04/17/564930417.db2.gz KVMBAIGJYWNQOP-JTQLQIEISA-N 0 0 378.376 2.830 20 5 GFBDRN CN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466781234 564947687 /nfs/dbraw/zinc/94/76/87/564947687.db2.gz ZACFMPAATWCPBW-UHFFFAOYSA-N 0 0 379.825 2.957 20 5 GFBDRN CN(CC[C@@H]1CCCO1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000466844666 564948447 /nfs/dbraw/zinc/94/84/47/564948447.db2.gz IKUWRGRZABAMCP-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN CCN(Cc1ccccc1)C(=O)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000500255549 564949199 /nfs/dbraw/zinc/94/91/99/564949199.db2.gz WOZSACOSJQPCDN-UHFFFAOYSA-N 0 0 393.241 2.635 20 5 GFBDRN COc1ccccc1[C@]1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061745 564954440 /nfs/dbraw/zinc/95/44/40/564954440.db2.gz BQVNUGOTSBDKTI-ZBFHGGJFSA-N 0 0 382.463 2.982 20 5 GFBDRN COc1cc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc(OC)c1 ZINC000467420080 564963710 /nfs/dbraw/zinc/96/37/10/564963710.db2.gz QFIUXQGXHAFJQB-UHFFFAOYSA-N 0 0 386.451 2.803 20 5 GFBDRN COCCOC[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501092590 564969921 /nfs/dbraw/zinc/96/99/21/564969921.db2.gz GYGGNUVHKYVLEN-SECBINFHSA-N 0 0 376.207 2.530 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000501121564 564971622 /nfs/dbraw/zinc/97/16/22/564971622.db2.gz WOSZHZIZYULORS-STQMWFEESA-N 0 0 397.229 2.632 20 5 GFBDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501358342 564977222 /nfs/dbraw/zinc/97/72/22/564977222.db2.gz SJJIGYKIURWXPW-VIFPVBQESA-N 0 0 379.214 2.678 20 5 GFBDRN CN(C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000468195047 564979805 /nfs/dbraw/zinc/97/98/05/564979805.db2.gz CBZNYABSGWOTQG-UHFFFAOYSA-N 0 0 396.245 2.644 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCSc3ccc(F)cc32)c([N+](=O)[O-])n1 ZINC000469084640 565004661 /nfs/dbraw/zinc/00/46/61/565004661.db2.gz UWFRWMNLTWUZBZ-UHFFFAOYSA-N 0 0 386.430 2.641 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ccc(Br)cc1Cl ZINC000561683058 565005818 /nfs/dbraw/zinc/00/58/18/565005818.db2.gz XKPCMRKWNZRGCC-UHFFFAOYSA-N 0 0 387.621 2.566 20 5 GFBDRN O=[N+]([O-])c1nn(Cc2nc(COc3ccc(F)cc3)no2)cc1Br ZINC000502818573 565006220 /nfs/dbraw/zinc/00/62/20/565006220.db2.gz RWNXZIAJSDGQQD-UHFFFAOYSA-N 0 0 398.148 2.703 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOCC(F)(F)C1 ZINC000561725185 565007157 /nfs/dbraw/zinc/00/71/57/565007157.db2.gz YBTACXLSFYAJTO-UHFFFAOYSA-N 0 0 391.179 2.558 20 5 GFBDRN Cn1cc(Br)cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1=O ZINC000535695130 565018649 /nfs/dbraw/zinc/01/86/49/565018649.db2.gz VXWHARJBFZILNB-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)c1Br ZINC000535694287 565018938 /nfs/dbraw/zinc/01/89/38/565018938.db2.gz XQPFAFLVNFXCCK-UHFFFAOYSA-N 0 0 378.186 2.798 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000535924290 565025447 /nfs/dbraw/zinc/02/54/47/565025447.db2.gz WUBBCXFYDRETNN-MRVPVSSYSA-N 0 0 399.220 2.899 20 5 GFBDRN COCCCS(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000504215591 565036444 /nfs/dbraw/zinc/03/64/44/565036444.db2.gz JPYBHYCQIIDGGD-UHFFFAOYSA-N 0 0 384.435 2.719 20 5 GFBDRN CO[C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000536554029 565040552 /nfs/dbraw/zinc/04/05/52/565040552.db2.gz QUTWMNLBDXYWDH-LBPRGKRZSA-N 0 0 392.193 2.600 20 5 GFBDRN COc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000470178568 565040895 /nfs/dbraw/zinc/04/08/95/565040895.db2.gz KYUFYDWEJZFUNF-UHFFFAOYSA-N 0 0 380.198 2.620 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(F)cc(Br)cc32)n1 ZINC000504593203 565042157 /nfs/dbraw/zinc/04/21/57/565042157.db2.gz PYZVDMJRXBKLOO-UHFFFAOYSA-N 0 0 383.177 2.823 20 5 GFBDRN Cn1ncc2c1nc(Sc1ccc(Br)cc1[N+](=O)[O-])[nH]c2=O ZINC000536648039 565043197 /nfs/dbraw/zinc/04/31/97/565043197.db2.gz YCLQKDDMCMCFEI-UHFFFAOYSA-N 0 0 382.199 2.891 20 5 GFBDRN O=C(NCCNC(=O)c1cccc(Br)c1)c1csc([N+](=O)[O-])c1 ZINC000504886025 565045821 /nfs/dbraw/zinc/04/58/21/565045821.db2.gz UBJBNLOSEIIPQS-UHFFFAOYSA-N 0 0 398.238 2.579 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000470602051 565050101 /nfs/dbraw/zinc/05/01/01/565050101.db2.gz NVRDRVIWDHNESL-JTQLQIEISA-N 0 0 378.834 2.517 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)c1C ZINC000586772114 565115916 /nfs/dbraw/zinc/11/59/16/565115916.db2.gz LOJXZKZEZYDPEK-NOZJJQNGSA-N 0 0 382.360 2.552 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCCc3sccc3C2)cc1[N+](=O)[O-] ZINC000614543517 565119374 /nfs/dbraw/zinc/11/93/74/565119374.db2.gz GLWLKLUQQGBJMQ-UHFFFAOYSA-N 0 0 386.426 2.941 20 5 GFBDRN Nc1cc(N[C@H](CO)c2cccc(Br)c2)cc(CO)c1[N+](=O)[O-] ZINC000588001734 565122057 /nfs/dbraw/zinc/12/20/57/565122057.db2.gz URHPESSRNYUXGW-CQSZACIVSA-N 0 0 382.214 2.577 20 5 GFBDRN COC(=O)[C@H](CNc1cccnc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000588054305 565123693 /nfs/dbraw/zinc/12/36/93/565123693.db2.gz YNGYCKWTZLDAKV-ZDUSSCGKSA-N 0 0 396.197 2.785 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC[C@]3(CCOC3)C2)c1 ZINC000589255330 565157096 /nfs/dbraw/zinc/15/70/96/565157096.db2.gz WZWJXNSPCQSRLM-AWEZNQCLSA-N 0 0 388.205 2.812 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889523 565179354 /nfs/dbraw/zinc/17/93/54/565179354.db2.gz RGAGQSMIDPAPFJ-UHFFFAOYSA-N 0 0 385.605 2.947 20 5 GFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@H](O)C12CCCC2 ZINC000590494322 565190266 /nfs/dbraw/zinc/19/02/66/565190266.db2.gz FGEYXRCBRJXYJP-SECBINFHSA-N 0 0 375.244 2.938 20 5 GFBDRN CN(C)c1cnn(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000590569616 565193061 /nfs/dbraw/zinc/19/30/61/565193061.db2.gz PFODBFGSAMKHAB-UHFFFAOYSA-N 0 0 395.261 2.856 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000590761482 565201796 /nfs/dbraw/zinc/20/17/96/565201796.db2.gz CORUKWCPGFVQCZ-NXEZZACHSA-N 0 0 382.360 2.955 20 5 GFBDRN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000590834951 565206641 /nfs/dbraw/zinc/20/66/41/565206641.db2.gz YFXVSZNPKIZURA-NEPJUHHUSA-N 0 0 386.202 2.821 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC(F)(F)CC2)c1 ZINC000619506071 565346255 /nfs/dbraw/zinc/34/62/55/565346255.db2.gz GPIXHZRTUJFZCB-UHFFFAOYSA-N 0 0 385.186 2.777 20 5 GFBDRN C[C@@H](CO)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593645434 565351842 /nfs/dbraw/zinc/35/18/42/565351842.db2.gz ISHSUNPELSQJNQ-VIFPVBQESA-N 0 0 397.280 2.931 20 5 GFBDRN CS[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593783471 565360338 /nfs/dbraw/zinc/36/03/38/565360338.db2.gz ARRNGJYUPQQJHR-DGCLKSJQSA-N 0 0 385.873 2.768 20 5 GFBDRN C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594476407 565393187 /nfs/dbraw/zinc/39/31/87/565393187.db2.gz AKLBHJYDFUOWIQ-SECBINFHSA-N 0 0 378.834 2.504 20 5 GFBDRN COC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594820241 565426421 /nfs/dbraw/zinc/42/64/21/565426421.db2.gz QMLWNQTXVATMHN-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000595050229 565446008 /nfs/dbraw/zinc/44/60/08/565446008.db2.gz RQDOPWUCBKMDLG-ZANVPECISA-N 0 0 382.214 2.697 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415825 565476126 /nfs/dbraw/zinc/47/61/26/565476126.db2.gz OGRPMCNKSSCUGJ-BMIGLBTASA-N 0 0 378.397 2.590 20 5 GFBDRN CS(=O)(=O)Nc1cccc2c1CCN(c1c(Cl)cncc1[N+](=O)[O-])C2 ZINC000596086491 565513119 /nfs/dbraw/zinc/51/31/19/565513119.db2.gz BHXGZYXBXZNLFN-UHFFFAOYSA-N 0 0 382.829 2.577 20 5 GFBDRN COC(=O)c1c(Cl)c(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596258244 565518036 /nfs/dbraw/zinc/51/80/36/565518036.db2.gz GZFTZLIVIAYSKG-JMCQJSRRSA-N 0 0 382.722 2.784 20 5 GFBDRN CNS(=O)(=O)c1ccc(CSCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000596418302 565522872 /nfs/dbraw/zinc/52/28/72/565522872.db2.gz DEMFAGQHIJKCQN-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN COC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000596437873 565524128 /nfs/dbraw/zinc/52/41/28/565524128.db2.gz YTFOSWGQCPBKMM-LBPRGKRZSA-N 0 0 386.451 2.868 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](C(=O)NC(C)C)C2)ncc1[N+](=O)[O-] ZINC000596535348 565526285 /nfs/dbraw/zinc/52/62/85/565526285.db2.gz BNCGJNOTKLBOKH-NSHDSACASA-N 0 0 385.262 2.802 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000596514362 565526579 /nfs/dbraw/zinc/52/65/79/565526579.db2.gz KKASRZMDQPVXLM-ZIAGYGMSSA-N 0 0 397.273 2.808 20 5 GFBDRN CN(C[C@H]1CC1(C)C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596562732 565527459 /nfs/dbraw/zinc/52/74/59/565527459.db2.gz PLNVBZUAESTZIZ-SECBINFHSA-N 0 0 384.230 2.800 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000597577412 565565117 /nfs/dbraw/zinc/56/51/17/565565117.db2.gz GHWPQOUWOWRUGV-KBPBESRZSA-N 0 0 386.221 2.616 20 5 GFBDRN CCOC(=O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598046154 565590688 /nfs/dbraw/zinc/59/06/88/565590688.db2.gz AVXCZHAAHJRBPP-LLVKDONJSA-N 0 0 382.722 2.791 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000598231514 565603717 /nfs/dbraw/zinc/60/37/17/565603717.db2.gz UAVKDTWITNEOLG-HNNXBMFYSA-N 0 0 392.209 2.966 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CC1 ZINC000598272242 565605845 /nfs/dbraw/zinc/60/58/45/565605845.db2.gz NTIHCFUQLZJKMZ-NSHDSACASA-N 0 0 399.241 2.985 20 5 GFBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598429228 565617075 /nfs/dbraw/zinc/61/70/75/565617075.db2.gz VYCKKMLGSNYVSW-GFCCVEGCSA-N 0 0 381.230 2.842 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598604388 565628878 /nfs/dbraw/zinc/62/88/78/565628878.db2.gz MPNFOPUYCGXHRA-BXKDBHETSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1c(NCc2cccc(Br)c2)ncnc1N1CCOCC1 ZINC000598592532 565629276 /nfs/dbraw/zinc/62/92/76/565629276.db2.gz LPCXSJJXTXMVDI-UHFFFAOYSA-N 0 0 394.229 2.596 20 5 GFBDRN CO[C@@H](C)c1nc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cs1 ZINC000598602808 565629304 /nfs/dbraw/zinc/62/93/04/565629304.db2.gz BTQBCMXLCHXBAS-NSHDSACASA-N 0 0 385.467 2.854 20 5 GFBDRN Cc1c(NC(=O)c2noc3c2COCC3)cc(Br)cc1[N+](=O)[O-] ZINC000598935967 565650548 /nfs/dbraw/zinc/65/05/48/565650548.db2.gz IGYSJGHQUOUTLS-UHFFFAOYSA-N 0 0 382.170 2.979 20 5 GFBDRN CCCNC(=O)C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598997909 565652702 /nfs/dbraw/zinc/65/27/02/565652702.db2.gz DUUTUIRQPKCWQL-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2cccc(Cl)c2)n1 ZINC000599286736 565667493 /nfs/dbraw/zinc/66/74/93/565667493.db2.gz LPGZOEGOWZKNQT-ZDUSSCGKSA-N 0 0 384.845 2.898 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000599286735 565667672 /nfs/dbraw/zinc/66/76/72/565667672.db2.gz LPGZOEGOWZKNQT-CYBMUJFWSA-N 0 0 384.845 2.898 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000599320150 565669538 /nfs/dbraw/zinc/66/95/38/565669538.db2.gz CTKHCVPWGVUCBK-CYBMUJFWSA-N 0 0 384.845 2.898 20 5 GFBDRN COC(=O)C1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599368659 565672191 /nfs/dbraw/zinc/67/21/91/565672191.db2.gz FULZJVQHXNXXON-UHFFFAOYSA-N 0 0 385.214 2.819 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000599707058 565697330 /nfs/dbraw/zinc/69/73/30/565697330.db2.gz PAUCIGOSDZENRY-NSHDSACASA-N 0 0 394.229 2.501 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599786198 565701310 /nfs/dbraw/zinc/70/13/10/565701310.db2.gz JQECGKAOZFSABD-ZUZCIYMTSA-N 0 0 384.230 2.984 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(Cn2cncn2)CC1 ZINC000599785044 565701681 /nfs/dbraw/zinc/70/16/81/565701681.db2.gz VWGWKFRRLLFIQR-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600594249 565738369 /nfs/dbraw/zinc/73/83/69/565738369.db2.gz JPRYTSJJXXYCBR-YPMHNXCESA-N 0 0 393.241 2.958 20 5 GFBDRN CN(c1ccc(C(F)(F)F)cc1Cl)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600666828 565743003 /nfs/dbraw/zinc/74/30/03/565743003.db2.gz GJWLYQIRHWFAEF-UHFFFAOYSA-N 0 0 398.750 2.826 20 5 GFBDRN COC(=O)[C@@]1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000601708013 565799661 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COC(=O)Cn1ncc(NCc2cc(Br)c([N+](=O)[O-])s2)c1C ZINC000602637571 565859605 /nfs/dbraw/zinc/85/96/05/565859605.db2.gz FURDASJZMDONQZ-UHFFFAOYSA-N 0 0 389.231 2.709 20 5 GFBDRN O=C([C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1)N1CCCC1 ZINC000602667427 565862740 /nfs/dbraw/zinc/86/27/40/565862740.db2.gz RNJRJWGJADYVEI-JTQLQIEISA-N 0 0 388.287 2.863 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1Br ZINC000602682252 565862782 /nfs/dbraw/zinc/86/27/82/565862782.db2.gz PFFAMWMBCHHSEL-QWRGUYRKSA-N 0 0 395.300 2.570 20 5 GFBDRN CC(=O)NC[C@H]1CCCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602736819 565866252 /nfs/dbraw/zinc/86/62/52/565866252.db2.gz PRCNSLVOUBYLAF-SNVBAGLBSA-N 0 0 376.276 2.909 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)cc2[N+](=O)[O-])n1 ZINC000603373661 565901714 /nfs/dbraw/zinc/90/17/14/565901714.db2.gz DGRSWCIOSLDZOH-ZBEGNZNMSA-N 0 0 377.447 2.718 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2nccc3sccc32)cc1 ZINC000604402581 565928261 /nfs/dbraw/zinc/92/82/61/565928261.db2.gz OYQHAXIXXFSTPN-UHFFFAOYSA-N 0 0 378.435 2.595 20 5 GFBDRN CCN(CCC(F)(F)F)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604524104 565931800 /nfs/dbraw/zinc/93/18/00/565931800.db2.gz RBAMTHQDHRNKPR-UHFFFAOYSA-N 0 0 379.360 2.587 20 5 GFBDRN Cc1sc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000608880373 566025635 /nfs/dbraw/zinc/02/56/35/566025635.db2.gz FLNVMJZXMZQTFR-UHFFFAOYSA-N 0 0 379.360 2.638 20 5 GFBDRN O=[N+]([O-])c1sccc1N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000609193041 566032368 /nfs/dbraw/zinc/03/23/68/566032368.db2.gz XVKILUMHGURZET-LBPRGKRZSA-N 0 0 385.442 2.743 20 5 GFBDRN COc1ccc(CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000609221832 566033464 /nfs/dbraw/zinc/03/34/64/566033464.db2.gz BZKCDTFYKFERRE-OAHLLOKOSA-N 0 0 394.225 2.682 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000609673975 566049155 /nfs/dbraw/zinc/04/91/55/566049155.db2.gz SULDXJJJJMBGNA-KGLIPLIRSA-N 0 0 386.495 2.578 20 5 GFBDRN CCOC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000610119652 566067340 /nfs/dbraw/zinc/06/73/40/566067340.db2.gz RJXUMCVINFBXMT-UHFFFAOYSA-N 0 0 385.214 2.821 20 5 GFBDRN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261603 566072695 /nfs/dbraw/zinc/07/26/95/566072695.db2.gz RPJZYURJHCRYOA-UHFFFAOYSA-N 0 0 385.829 2.733 20 5 GFBDRN C[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000610283430 566075887 /nfs/dbraw/zinc/07/58/87/566075887.db2.gz ITYUBKVDELUGJO-RNCFNFMXSA-N 0 0 394.229 2.697 20 5 GFBDRN CC(C)(NC(=O)CCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000610624209 566091331 /nfs/dbraw/zinc/09/13/31/566091331.db2.gz PWKUUIXNUPJNFU-UHFFFAOYSA-N 0 0 381.230 2.995 20 5 GFBDRN C[C@@H]1C[C@@H]1c1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH][nH]1 ZINC000610673561 566092269 /nfs/dbraw/zinc/09/22/69/566092269.db2.gz DTHVPDLBBHVADU-KCJUWKMLSA-N 0 0 379.214 2.807 20 5 GFBDRN CCCC(=O)NC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000610899986 566105033 /nfs/dbraw/zinc/10/50/33/566105033.db2.gz HCDJQRHFQAVNHH-UHFFFAOYSA-N 0 0 398.257 2.878 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H](CCO)C1 ZINC000611022770 566110904 /nfs/dbraw/zinc/11/09/04/566110904.db2.gz NANZPNXBTIPQFV-SECBINFHSA-N 0 0 383.253 2.685 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccc(O)cc3CC2)c(Cl)c1 ZINC000611019487 566111100 /nfs/dbraw/zinc/11/11/00/566111100.db2.gz VHPTVGSKWKGVDM-UHFFFAOYSA-N 0 0 382.825 2.743 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CO)c1cc(F)ccc1F ZINC000611019634 566111188 /nfs/dbraw/zinc/11/11/88/566111188.db2.gz TZPDKIMYIVWNDW-LBPRGKRZSA-N 0 0 392.767 2.538 20 5 GFBDRN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370333 566127631 /nfs/dbraw/zinc/12/76/31/566127631.db2.gz CPMRCVSWGROZGF-FRRDWIJNSA-N 0 0 387.527 2.901 20 5 GFBDRN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370334 566127861 /nfs/dbraw/zinc/12/78/61/566127861.db2.gz CPMRCVSWGROZGF-JHJVBQTASA-N 0 0 387.527 2.901 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000611466369 566131572 /nfs/dbraw/zinc/13/15/72/566131572.db2.gz LSKLUHRNKKFQGV-GFCCVEGCSA-N 0 0 386.495 2.652 20 5 GFBDRN C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611497056 566133315 /nfs/dbraw/zinc/13/33/15/566133315.db2.gz LTYQMMYQHYTVDG-UFBFGSQYSA-N 0 0 381.223 2.726 20 5 GFBDRN COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000611586787 566138409 /nfs/dbraw/zinc/13/84/09/566138409.db2.gz MPVVKPRZRDNQOB-CYBMUJFWSA-N 0 0 390.845 2.663 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000612144765 566153604 /nfs/dbraw/zinc/15/36/04/566153604.db2.gz OYKXZMXTMZAMJA-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000613256376 566190816 /nfs/dbraw/zinc/19/08/16/566190816.db2.gz WCORSERSHJUSCJ-QWRGUYRKSA-N 0 0 392.275 2.630 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000613477033 566199261 /nfs/dbraw/zinc/19/92/61/566199261.db2.gz IEKAFDKCRXPHLN-UHFFFAOYSA-N 0 0 384.332 3.000 20 5 GFBDRN CC(C)(C(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735580807 598831822 /nfs/dbraw/zinc/83/18/22/598831822.db2.gz LXHNLVDOYRSZOR-UHFFFAOYSA-N 0 0 384.371 2.508 20 5 GFBDRN O=[N+]([O-])c1ccc(CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000738358256 598854804 /nfs/dbraw/zinc/85/48/04/598854804.db2.gz DAXQXTYGMRYAHK-UHFFFAOYSA-N 0 0 384.356 2.513 20 5 GFBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000736188759 598859162 /nfs/dbraw/zinc/85/91/62/598859162.db2.gz PVDMPIVGMNCSEH-JTQLQIEISA-N 0 0 379.336 2.965 20 5 GFBDRN Cc1cccc(C(=O)O[C@H](C)COc2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000737383494 598885683 /nfs/dbraw/zinc/88/56/83/598885683.db2.gz ALCNLYCBMMUBEG-GFCCVEGCSA-N 0 0 383.364 2.708 20 5 GFBDRN CC(C)Oc1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000735915276 599170844 /nfs/dbraw/zinc/17/08/44/599170844.db2.gz OFJYLUPTASSQIY-KRWDZBQOSA-N 0 0 384.396 2.708 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737967981 599180974 /nfs/dbraw/zinc/18/09/74/599180974.db2.gz BWWNBODXNWWXOK-UHFFFAOYSA-N 0 0 378.392 2.509 20 5 GFBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000736109826 599246029 /nfs/dbraw/zinc/24/60/29/599246029.db2.gz ACXCOOIQQKISAQ-JTQLQIEISA-N 0 0 386.799 2.848 20 5 GFBDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000735662859 598280538 /nfs/dbraw/zinc/28/05/38/598280538.db2.gz ZLMXDVYRUDGPHQ-UHFFFAOYSA-N 0 0 384.400 2.653 20 5 GFBDRN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000736750446 598282014 /nfs/dbraw/zinc/28/20/14/598282014.db2.gz XODIVWFRAPRFOR-UHFFFAOYSA-N 0 0 376.735 2.844 20 5 GFBDRN C[C@@H](OC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000736153761 598331261 /nfs/dbraw/zinc/33/12/61/598331261.db2.gz ZPEXSZDRIYEDCM-GFCCVEGCSA-N 0 0 383.364 2.848 20 5 GFBDRN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821160682 607350644 /nfs/dbraw/zinc/35/06/44/607350644.db2.gz OQZJNJOSFYQRKM-NSHDSACASA-N 0 0 398.427 2.845 20 5 GFBDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000735655376 598489605 /nfs/dbraw/zinc/48/96/05/598489605.db2.gz NHMCXUOJYCGKQB-TWGQIWQCSA-N 0 0 381.396 2.983 20 5 GFBDRN Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000737316424 598546612 /nfs/dbraw/zinc/54/66/12/598546612.db2.gz VXHPBEKGDDCBSQ-UHFFFAOYSA-N 0 0 390.306 2.937 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737368318 598619020 /nfs/dbraw/zinc/61/90/20/598619020.db2.gz IEAVUVDTKIZYFT-UHFFFAOYSA-N 0 0 386.343 2.630 20 5 GFBDRN O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000738370227 598792583 /nfs/dbraw/zinc/79/25/83/598792583.db2.gz RWWOGTUXWRLARG-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)O[C@@H](C)C2 ZINC000821400628 599401547 /nfs/dbraw/zinc/40/15/47/599401547.db2.gz MRKBVJXFSQHXQN-JTQLQIEISA-N 0 0 397.395 2.504 20 5 GFBDRN O=[N+]([O-])c1ccc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000823634074 599487089 /nfs/dbraw/zinc/48/70/89/599487089.db2.gz AQMXSBOODSWTMU-UHFFFAOYSA-N 0 0 392.335 2.843 20 5 GFBDRN CCOC(=O)c1ccnc(N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-] ZINC000736603633 599520056 /nfs/dbraw/zinc/52/00/56/599520056.db2.gz ZURFFTYXSGBIQS-JTQLQIEISA-N 0 0 383.368 2.520 20 5 GFBDRN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820333868 599521651 /nfs/dbraw/zinc/52/16/51/599521651.db2.gz HSOPWFILIJCMGV-LLVKDONJSA-N 0 0 384.421 2.744 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823115460 599633921 /nfs/dbraw/zinc/63/39/21/599633921.db2.gz OLHBBEKPMOHJFK-UHFFFAOYSA-N 0 0 392.297 2.975 20 5 GFBDRN CC(C)OCC[NH+]1CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827027802 601335108 /nfs/dbraw/zinc/33/51/08/601335108.db2.gz XUHXRKKDGHRHJI-UHFFFAOYSA-N 0 0 396.400 2.503 20 5 GFBDRN NC(=O)c1ccc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833084341 601540600 /nfs/dbraw/zinc/54/06/00/601540600.db2.gz MXSQTJVPNWBWBA-DOTOQJQBSA-N 0 0 375.425 2.549 20 5 GFBDRN COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC(F)F)cc1-c1nn[nH]n1 ZINC000826203937 607549174 /nfs/dbraw/zinc/54/91/74/607549174.db2.gz NGHFJWLJFGOICY-UHFFFAOYSA-N 0 0 392.322 2.997 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740174738 602432654 /nfs/dbraw/zinc/43/26/54/602432654.db2.gz LENXDGOXKTYVHY-UGSOOPFHSA-N 0 0 378.429 2.648 20 5 GFBDRN C[C@]1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623060 606242484 /nfs/dbraw/zinc/24/24/84/606242484.db2.gz DGXGCEUIYNJSBT-CRAIPNDOSA-N 0 0 383.412 2.676 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@H](CO)c3ccccc3)cc(-c3nn[nH]n3)c2c1 ZINC000823644055 606478283 /nfs/dbraw/zinc/47/82/83/606478283.db2.gz FAWZNXNJFBCGKB-CYBMUJFWSA-N 0 0 391.391 2.511 20 5 GFBDRN COc1cccc(N2CC[C@@H](CNc3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)c1 ZINC000821873172 606645450 /nfs/dbraw/zinc/64/54/50/606645450.db2.gz SGDWAZACROJNLL-ZDUSSCGKSA-N 0 0 395.423 2.722 20 5 GFBDRN O=C(OCc1ccnc(-c2nn[nH]n2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823436301 606653805 /nfs/dbraw/zinc/65/38/05/606653805.db2.gz PAMASLXDJGZKGT-UHFFFAOYSA-N 0 0 382.361 2.742 20 5 GFBDRN CCc1csc([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n1 ZINC000821499650 606704994 /nfs/dbraw/zinc/70/49/94/606704994.db2.gz OBMUVRIMZFEZKR-JTQLQIEISA-N 0 0 386.441 2.573 20 5 GFBDRN Cc1nc(N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)ccc1[N+](=O)[O-] ZINC000822449499 606709040 /nfs/dbraw/zinc/70/90/40/606709040.db2.gz BQRLERYMYDQESV-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)cc1[N+](=O)[O-] ZINC000822266573 606713230 /nfs/dbraw/zinc/71/32/30/606713230.db2.gz CXOAEZFRUDSGGZ-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN CO[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000821677949 606713534 /nfs/dbraw/zinc/71/35/34/606713534.db2.gz HJIYTSHEFJNFHT-GFCCVEGCSA-N 0 0 375.776 2.623 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823619863 606717268 /nfs/dbraw/zinc/71/72/68/606717268.db2.gz CFGLERDSPQRKKD-LLVKDONJSA-N 0 0 386.803 2.514 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCOc1ccc(C(F)(F)F)cn1 ZINC000823630545 606723518 /nfs/dbraw/zinc/72/35/18/606723518.db2.gz ZYWOESBOXUYVMT-UHFFFAOYSA-N 0 0 395.301 2.680 20 5 GFBDRN Cc1c(COC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822026974 606755564 /nfs/dbraw/zinc/75/55/64/606755564.db2.gz BRUUQVZSJHPQBY-UHFFFAOYSA-N 0 0 375.291 2.719 20 5 GFBDRN O=C(OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000823405528 606949041 /nfs/dbraw/zinc/94/90/41/606949041.db2.gz SSCIZJIIUGBCNM-UHFFFAOYSA-N 0 0 387.327 2.540 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000821122945 607043189 /nfs/dbraw/zinc/04/31/89/607043189.db2.gz CVSJGQFMJDOBMH-UHFFFAOYSA-N 0 0 382.384 2.553 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822270949 607125939 /nfs/dbraw/zinc/12/59/39/607125939.db2.gz FIHGSRXBFHPIQR-UHFFFAOYSA-N 0 0 387.787 2.787 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCSc1ccc(F)cc1 ZINC000823624540 607163582 /nfs/dbraw/zinc/16/35/82/607163582.db2.gz CDECVKHHLQMPMZ-UHFFFAOYSA-N 0 0 375.389 2.903 20 5 GFBDRN Cc1cccc(OCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)c1[N+](=O)[O-] ZINC000826300059 607863219 /nfs/dbraw/zinc/86/32/19/607863219.db2.gz GQWQXAIDSFQMQV-UHFFFAOYSA-N 0 0 379.336 2.712 20 5 GFBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824770443 608069672 /nfs/dbraw/zinc/06/96/72/608069672.db2.gz KMSOZZCDCCGXMA-UGSOOPFHSA-N 0 0 380.408 2.909 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826427890 608108200 /nfs/dbraw/zinc/10/82/00/608108200.db2.gz GBNNLLBNTZEWOZ-UHFFFAOYSA-N 0 0 389.375 2.675 20 5 GFBDRN CC(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000824029891 608160644 /nfs/dbraw/zinc/16/06/44/608160644.db2.gz TVWXIKODIIUJKK-UHFFFAOYSA-N 0 0 386.755 2.883 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(c1)COC2 ZINC000826451081 608162577 /nfs/dbraw/zinc/16/25/77/608162577.db2.gz PHSBCCFTFBXGSH-UHFFFAOYSA-N 0 0 386.755 2.711 20 5 GFBDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)c1c(Br)cncc1[N+](=O)[O-] ZINC000825962375 608272384 /nfs/dbraw/zinc/27/23/84/608272384.db2.gz YFNMEOOZEDZUNS-UHFFFAOYSA-N 0 0 390.201 2.569 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000826171900 608345740 /nfs/dbraw/zinc/34/57/40/608345740.db2.gz DKVCGAXIDSHPLK-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN Cn1ncc2c1CCC[C@H]2Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826366661 608366295 /nfs/dbraw/zinc/36/62/95/608366295.db2.gz SIGOIRLUKHISRW-CQSZACIVSA-N 0 0 391.395 2.546 20 5 GFBDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824487884 608417675 /nfs/dbraw/zinc/41/76/75/608417675.db2.gz CVPXQDOZOVATHT-RYUDHWBXSA-N 0 0 381.396 2.896 20 5 GFBDRN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC000826400913 608572280 /nfs/dbraw/zinc/57/22/80/608572280.db2.gz KYQLZHLGVUWSKG-YFHOEESVSA-N 0 0 391.391 2.701 20 5 GFBDRN COc1ccc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1-c1nn[nH]n1 ZINC000826208655 609313080 /nfs/dbraw/zinc/31/30/80/609313080.db2.gz ULVFPUMYSCAALC-UHFFFAOYSA-N 0 0 377.364 2.695 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CCC([C@H]4CCOC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000826499263 609591980 /nfs/dbraw/zinc/59/19/80/609591980.db2.gz BRHFOEMPYCAWEN-ZDUSSCGKSA-N 0 0 395.423 2.576 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000511383542 650535688 /nfs/dbraw/zinc/53/56/88/650535688.db2.gz 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/nfs/dbraw/zinc/67/19/88/563671988.db2.gz HUIWXPPQIABQDL-UHFFFAOYSA-N 0 0 378.186 2.655 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289763334 563685982 /nfs/dbraw/zinc/68/59/82/563685982.db2.gz GBOCAXOFRFWAFB-JTQLQIEISA-N 0 0 391.236 2.734 20 5 GFBDRN C[C@H](Cn1ccnc1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289805719 563687300 /nfs/dbraw/zinc/68/73/00/563687300.db2.gz IODAILSFMJNPEW-SNVBAGLBSA-N 0 0 386.193 2.574 20 5 GFBDRN Cc1cc(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)ncc1[N+](=O)[O-] ZINC000413428060 563691941 /nfs/dbraw/zinc/69/19/41/563691941.db2.gz ALWZJOKEHVKPRE-LBPRGKRZSA-N 0 0 398.232 2.885 20 5 GFBDRN Cc1cc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)ncc1[N+](=O)[O-] ZINC000413428059 563692046 /nfs/dbraw/zinc/69/20/46/563692046.db2.gz ALWZJOKEHVKPRE-GFCCVEGCSA-N 0 0 398.232 2.885 20 5 GFBDRN CCc1nn(C)c(NCc2cc(Cl)cc(S(=O)(=O)CC)c2)c1[N+](=O)[O-] ZINC000413490001 563694881 /nfs/dbraw/zinc/69/48/81/563694881.db2.gz UUELGKHPJJNQHV-UHFFFAOYSA-N 0 0 386.861 2.950 20 5 GFBDRN CC(=O)N(C)CCc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000290074912 563697326 /nfs/dbraw/zinc/69/73/26/563697326.db2.gz LMQCCTUQBOEQBW-UHFFFAOYSA-N 0 0 383.202 2.737 20 5 GFBDRN COc1ccc(CSCC(=O)N2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438690067 563708840 /nfs/dbraw/zinc/70/88/40/563708840.db2.gz ZTZOXBIHOSYALW-UHFFFAOYSA-N 0 0 379.463 2.878 20 5 GFBDRN CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000363133482 563714878 /nfs/dbraw/zinc/71/48/78/563714878.db2.gz SHIGAARGGXNVCE-UHFFFAOYSA-N 0 0 387.889 2.886 20 5 GFBDRN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000414037239 563715731 /nfs/dbraw/zinc/71/57/31/563715731.db2.gz WIKJGQBOUZTNLC-LBPRGKRZSA-N 0 0 385.873 2.856 20 5 GFBDRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439120593 563717832 /nfs/dbraw/zinc/71/78/32/563717832.db2.gz VHMRAQDBTFWPAS-CYBMUJFWSA-N 0 0 385.873 2.940 20 5 GFBDRN Cc1cnn([C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)c1 ZINC000290662354 563717890 /nfs/dbraw/zinc/71/78/90/563717890.db2.gz IRFUQEMIUNTVEU-ZDUSSCGKSA-N 0 0 379.214 2.949 20 5 GFBDRN Cc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(C)c1 ZINC000414149537 563721260 /nfs/dbraw/zinc/72/12/60/563721260.db2.gz SXUHPOPFEREWMY-ZDUSSCGKSA-N 0 0 397.225 2.576 20 5 GFBDRN Cc1nnc(CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000290774700 563721489 /nfs/dbraw/zinc/72/14/89/563721489.db2.gz BMUUOVXUTZJABN-UHFFFAOYSA-N 0 0 377.245 2.551 20 5 GFBDRN CCC1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000290785820 563721607 /nfs/dbraw/zinc/72/16/07/563721607.db2.gz MBDGPGNBIIBXIU-UHFFFAOYSA-N 0 0 384.230 2.992 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc(C(F)(F)F)cc1Br ZINC000439296509 563722332 /nfs/dbraw/zinc/72/23/32/563722332.db2.gz PEQZFXGXUBANLT-UHFFFAOYSA-N 0 0 394.107 2.606 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCCC3(CCOCC3)C2)cc1Cl ZINC000290823827 563722925 /nfs/dbraw/zinc/72/29/25/563722925.db2.gz TYLLCUAMFYIVBI-UHFFFAOYSA-N 0 0 392.836 2.969 20 5 GFBDRN CCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000290892491 563724907 /nfs/dbraw/zinc/72/49/07/563724907.db2.gz ZURDGUFVWXRISB-UHFFFAOYSA-N 0 0 383.253 2.827 20 5 GFBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439596005 563728989 /nfs/dbraw/zinc/72/89/89/563728989.db2.gz MVMMEGXKEMDOTB-UHFFFAOYSA-N 0 0 385.211 2.569 20 5 GFBDRN CCOC(=O)c1csc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000414423117 563736136 /nfs/dbraw/zinc/73/61/36/563736136.db2.gz BSWOFPZSSINRPU-JTQLQIEISA-N 0 0 384.435 2.904 20 5 GFBDRN CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364108278 563743095 /nfs/dbraw/zinc/74/30/95/563743095.db2.gz AWURUMVGYIZAOA-ZDUSSCGKSA-N 0 0 395.213 2.536 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1[nH]nc(C)c1Br ZINC000414474537 563743439 /nfs/dbraw/zinc/74/34/39/563743439.db2.gz YBEFZKIOYGPQMB-UHFFFAOYSA-N 0 0 389.231 2.752 20 5 GFBDRN CSc1ccccc1S(=O)(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364201374 563746106 /nfs/dbraw/zinc/74/61/06/563746106.db2.gz NXDQUZYQJWZLOD-GFCCVEGCSA-N 0 0 382.467 2.539 20 5 GFBDRN CS(=O)(=O)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000291953087 563766258 /nfs/dbraw/zinc/76/62/58/563766258.db2.gz VSEYLZCKXOKKPW-UHFFFAOYSA-N 0 0 375.834 2.537 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000291977135 563767529 /nfs/dbraw/zinc/76/75/29/563767529.db2.gz PKOHYMMZCFULFH-HNNXBMFYSA-N 0 0 375.208 2.923 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000365016757 563772135 /nfs/dbraw/zinc/77/21/35/563772135.db2.gz IWGDLPTVQBBQNJ-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC[S@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365387401 563781605 /nfs/dbraw/zinc/78/16/05/563781605.db2.gz OWEBQRBEKMXSDY-PVBMHHQDSA-N 0 0 389.271 2.649 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](O)C23CCCC3)c(Cl)cc1Cl ZINC000292452985 563787228 /nfs/dbraw/zinc/78/72/28/563787228.db2.gz AQQXZXOEQGFOSU-CYBMUJFWSA-N 0 0 395.264 2.970 20 5 GFBDRN COc1cc(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1O ZINC000443156518 563793680 /nfs/dbraw/zinc/79/36/80/563793680.db2.gz VXNKJMIBFPJTCX-UHFFFAOYSA-N 0 0 386.813 2.783 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000292827510 563796774 /nfs/dbraw/zinc/79/67/74/563796774.db2.gz OLGOQJTWDDBDKA-JTQLQIEISA-N 0 0 381.357 2.942 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000365969884 563796855 /nfs/dbraw/zinc/79/68/55/563796855.db2.gz QCXGQLBCPNOGRV-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000293031094 563798810 /nfs/dbraw/zinc/79/88/10/563798810.db2.gz RNFVWUBKLWFXGQ-JQWIXIFHSA-N 0 0 377.344 2.684 20 5 GFBDRN CN(C)c1noc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)n1 ZINC000366801365 563820193 /nfs/dbraw/zinc/82/01/93/563820193.db2.gz DEROIPHPBUMGNT-SNVBAGLBSA-N 0 0 383.206 2.543 20 5 GFBDRN CCCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416450931 563830343 /nfs/dbraw/zinc/83/03/43/563830343.db2.gz ANXKEBRBVAYBFW-UHFFFAOYSA-N 0 0 384.376 2.785 20 5 GFBDRN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453330 563830751 /nfs/dbraw/zinc/83/07/51/563830751.db2.gz CTDHWGSVOVFHPQ-TVQRCGJNSA-N 0 0 384.376 2.689 20 5 GFBDRN CCC(CC)[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416459465 563831476 /nfs/dbraw/zinc/83/14/76/563831476.db2.gz KOLBKDSNQOUDOM-LBPRGKRZSA-N 0 0 384.376 2.689 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)CCOCC1CCCC1 ZINC000416456897 563831701 /nfs/dbraw/zinc/83/17/01/563831701.db2.gz NABGNAJHWMXWKM-UHFFFAOYSA-N 0 0 390.889 2.917 20 5 GFBDRN C[C@H]1CCCc2nc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000416468217 563833926 /nfs/dbraw/zinc/83/39/26/563833926.db2.gz XYRKIRLHJCCQQJ-JTQLQIEISA-N 0 0 384.845 2.821 20 5 GFBDRN CO[C@]1(C)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416477173 563834986 /nfs/dbraw/zinc/83/49/86/563834986.db2.gz QWLMWQGZHALSCI-CYBMUJFWSA-N 0 0 382.360 2.803 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCOC(F)F ZINC000416479027 563835661 /nfs/dbraw/zinc/83/56/61/563835661.db2.gz GPWRYYSEQPWRDN-UHFFFAOYSA-N 0 0 378.275 2.521 20 5 GFBDRN C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[S@]1=O ZINC000294250137 563836251 /nfs/dbraw/zinc/83/62/51/563836251.db2.gz PMNWQZQDUJYJFO-OLUQVHSISA-N 0 0 377.369 2.571 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000294351445 563839758 /nfs/dbraw/zinc/83/97/58/563839758.db2.gz ZNBGVPHOGSRUEK-GJZGRUSLSA-N 0 0 390.820 2.719 20 5 GFBDRN CCOC(=O)C1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000367524785 563847615 /nfs/dbraw/zinc/84/76/15/563847615.db2.gz ODSOHURGRMCFTB-UHFFFAOYSA-N 0 0 390.845 2.602 20 5 GFBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445520955 563850308 /nfs/dbraw/zinc/85/03/08/563850308.db2.gz VLSUQNIBNLCFTN-AWEZNQCLSA-N 0 0 393.241 2.827 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000367674179 563851775 /nfs/dbraw/zinc/85/17/75/563851775.db2.gz VPLCRQDTMKUFEJ-NSHDSACASA-N 0 0 392.836 2.825 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)[C@@H](C)O1 ZINC000445745698 563853938 /nfs/dbraw/zinc/85/39/38/563853938.db2.gz UMFCKARFBAWCLK-OPRDCNLKSA-N 0 0 382.360 2.800 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(Cc2cscn2)CC1 ZINC000446104316 563858538 /nfs/dbraw/zinc/85/85/38/563858538.db2.gz JYEKECZUBBQJKZ-UHFFFAOYSA-N 0 0 380.857 2.971 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000368053460 563862874 /nfs/dbraw/zinc/86/28/74/563862874.db2.gz GILAHSOFNPSAMV-JTQLQIEISA-N 0 0 382.214 2.554 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)F)C2CC2)c(Br)c1 ZINC000447038947 563873109 /nfs/dbraw/zinc/87/31/09/563873109.db2.gz GVABOLHVFSJRMX-UHFFFAOYSA-N 0 0 385.186 2.776 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368674564 563877055 /nfs/dbraw/zinc/87/70/55/563877055.db2.gz AJQKRWVSUASWQM-SECBINFHSA-N 0 0 380.202 2.759 20 5 GFBDRN CCOC(=O)c1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000447329530 563880155 /nfs/dbraw/zinc/88/01/55/563880155.db2.gz LPEUIXKOOBWJBM-MRVPVSSYSA-N 0 0 382.423 2.742 20 5 GFBDRN CC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000447622329 563883510 /nfs/dbraw/zinc/88/35/10/563883510.db2.gz OBMZGQIBUNKSQK-UHFFFAOYSA-N 0 0 393.197 2.641 20 5 GFBDRN Cc1c(Br)c(N2C[C@@H](C)OC3(CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000447809800 563887287 /nfs/dbraw/zinc/88/72/87/563887287.db2.gz CUAZHHXQIRPPHI-SNVBAGLBSA-N 0 0 386.246 2.835 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000447945335 563891946 /nfs/dbraw/zinc/89/19/46/563891946.db2.gz PWXGEGZIEPGECU-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000448103860 563893471 /nfs/dbraw/zinc/89/34/71/563893471.db2.gz XWEIZNIIUYWYSG-SNVBAGLBSA-N 0 0 381.435 2.725 20 5 GFBDRN CC(C)(C(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000505413850 564182761 /nfs/dbraw/zinc/18/27/61/564182761.db2.gz IGRASDJFIQJRNV-UHFFFAOYSA-N 0 0 382.463 2.654 20 5 GFBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)cn1 ZINC000471146101 564187091 /nfs/dbraw/zinc/18/70/91/564187091.db2.gz VHMHAHYBRBUOQT-SECBINFHSA-N 0 0 383.813 2.538 20 5 GFBDRN COc1cc(S(=O)(=O)N2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000471190502 564188016 /nfs/dbraw/zinc/18/80/16/564188016.db2.gz IBEXSGHJBHTRCU-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN CC(C)OC(=O)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449670358 564194244 /nfs/dbraw/zinc/19/42/44/564194244.db2.gz XHLREEJIZDCINN-VIFPVBQESA-N 0 0 392.193 2.629 20 5 GFBDRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000506170187 564198265 /nfs/dbraw/zinc/19/82/65/564198265.db2.gz JLWNXQCRYUUTFV-UHFFFAOYSA-N 0 0 396.201 2.610 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2sccc2Cl)CC1 ZINC000506458329 564202820 /nfs/dbraw/zinc/20/28/20/564202820.db2.gz BPXISBGBROIMPX-UHFFFAOYSA-N 0 0 385.854 2.969 20 5 GFBDRN O=C(N[C@H](CO)CC(F)(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538883971 564204533 /nfs/dbraw/zinc/20/45/33/564204533.db2.gz PAMLJBGYBUYUDU-VIFPVBQESA-N 0 0 375.328 2.761 20 5 GFBDRN O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000538882771 564204941 /nfs/dbraw/zinc/20/49/41/564204941.db2.gz BPYCKBQXJIWCJQ-CQSZACIVSA-N 0 0 383.173 2.960 20 5 GFBDRN C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1CO ZINC000538943739 564206608 /nfs/dbraw/zinc/20/66/08/564206608.db2.gz RSHPLEXJRMQQFL-UFBFGSQYSA-N 0 0 383.253 2.683 20 5 GFBDRN O=C(NCCc1ccc[nH]1)c1ccc([N+](=O)[O-])cc1I ZINC000539031954 564208717 /nfs/dbraw/zinc/20/87/17/564208717.db2.gz NXJZDGJJSBSNKG-UHFFFAOYSA-N 0 0 385.161 2.500 20 5 GFBDRN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCS(=O)(=O)C1 ZINC000539818140 564229510 /nfs/dbraw/zinc/22/95/10/564229510.db2.gz RKNWJWSQXULDRW-GFCCVEGCSA-N 0 0 381.479 2.585 20 5 GFBDRN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507479682 564229689 /nfs/dbraw/zinc/22/96/89/564229689.db2.gz PTURMGIOQDRODZ-UHFFFAOYSA-N 0 0 395.213 2.516 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@H](C3CC3)C2)c1 ZINC000564388723 564231805 /nfs/dbraw/zinc/23/18/05/564231805.db2.gz CAJPZIUDZPMVSI-AWEZNQCLSA-N 0 0 388.205 2.810 20 5 GFBDRN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(Br)cc1 ZINC000539986674 564235327 /nfs/dbraw/zinc/23/53/27/564235327.db2.gz KNJJRZDSELDNTO-AWEZNQCLSA-N 0 0 394.225 2.619 20 5 GFBDRN O=C(NCCc1ccc[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000540115359 564240021 /nfs/dbraw/zinc/24/00/21/564240021.db2.gz QZHDHCZQOUDOQA-UHFFFAOYSA-N 0 0 385.161 2.500 20 5 GFBDRN COC[C@]1(C(=O)OC)CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000450675765 564243877 /nfs/dbraw/zinc/24/38/77/564243877.db2.gz CKONWVMIXIKEFF-HNNXBMFYSA-N 0 0 387.230 2.682 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000564689477 564245631 /nfs/dbraw/zinc/24/56/31/564245631.db2.gz QKVTYLVBOLEZLQ-KGLIPLIRSA-N 0 0 388.205 2.953 20 5 GFBDRN CC(C)(C)N1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000565005921 564262228 /nfs/dbraw/zinc/26/22/28/564262228.db2.gz AGXVLCNYRPQHQJ-NSHDSACASA-N 0 0 385.873 2.856 20 5 GFBDRN Cc1cccn2cc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)nc12 ZINC000541287749 564272760 /nfs/dbraw/zinc/27/27/60/564272760.db2.gz YGBATMSQKYIIGW-UHFFFAOYSA-N 0 0 377.198 2.832 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nnc(-c2ccccc2)o1 ZINC000474340249 564275040 /nfs/dbraw/zinc/27/50/40/564275040.db2.gz JCSSLTSUCLQSBU-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)CCc1ccccc1 ZINC000541386763 564276662 /nfs/dbraw/zinc/27/66/62/564276662.db2.gz SALYDSGTTASTFG-AWEZNQCLSA-N 0 0 384.841 2.520 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(SCCO)n1 ZINC000541834035 564291521 /nfs/dbraw/zinc/29/15/21/564291521.db2.gz WRMKYCPRMOVENF-UHFFFAOYSA-N 0 0 383.455 2.550 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2c(F)cccc2SC)cc1[N+](=O)[O-] ZINC000509569641 564304022 /nfs/dbraw/zinc/30/40/22/564304022.db2.gz GSRNMHSPZUDFGX-UHFFFAOYSA-N 0 0 386.426 2.943 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCS2)c(Br)c1 ZINC000542240162 564306403 /nfs/dbraw/zinc/30/64/03/564306403.db2.gz LLTHMCIJIACWOF-SNVBAGLBSA-N 0 0 395.300 2.921 20 5 GFBDRN Cn1ncc2c1ncnc2Oc1ccc(I)cc1[N+](=O)[O-] ZINC000509631298 564307268 /nfs/dbraw/zinc/30/72/68/564307268.db2.gz FRUYELXDZGXVCE-UHFFFAOYSA-N 0 0 397.132 2.668 20 5 GFBDRN Cc1ccc(Cl)c(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 ZINC000475476759 564309726 /nfs/dbraw/zinc/30/97/26/564309726.db2.gz CLQCPBQTBXTRAE-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN Cc1c(Br)c(NC[C@H](CO)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000542505415 564316409 /nfs/dbraw/zinc/31/64/09/564316409.db2.gz GZUCWGUGJGALKU-GFCCVEGCSA-N 0 0 398.232 2.885 20 5 GFBDRN COC(=O)c1cc(CNc2ncc([N+](=O)[O-])c(C)c2Br)oc1C ZINC000542521649 564317647 /nfs/dbraw/zinc/31/76/47/564317647.db2.gz WQCPQEDAVCTRAV-UHFFFAOYSA-N 0 0 384.186 2.783 20 5 GFBDRN NS(=O)(=O)c1c(NCc2sccc2Br)cccc1[N+](=O)[O-] ZINC000566553173 564331783 /nfs/dbraw/zinc/33/17/83/564331783.db2.gz JNKONATVDMUMDG-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN CCOC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000510392243 564332182 /nfs/dbraw/zinc/33/21/82/564332182.db2.gz CJOIUOFXIKMLLW-QMMMGPOBSA-N 0 0 392.193 2.663 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451655952 564336014 /nfs/dbraw/zinc/33/60/14/564336014.db2.gz RNOWVQJXPQQVAY-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451653807 564336350 /nfs/dbraw/zinc/33/63/50/564336350.db2.gz NNTMONQOUPZTEN-MRVPVSSYSA-N 0 0 390.767 2.884 20 5 GFBDRN CC(C)[C@@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815919 564355383 /nfs/dbraw/zinc/35/53/83/564355383.db2.gz INFGVWROPLLPSS-RISCZKNCSA-N 0 0 376.862 2.978 20 5 GFBDRN Cn1ncnc1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000567150063 564359520 /nfs/dbraw/zinc/35/95/20/564359520.db2.gz MAIVOADPZRWABC-UHFFFAOYSA-N 0 0 376.179 2.620 20 5 GFBDRN O=C(CCn1cc(Br)ccc1=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000477185703 564368732 /nfs/dbraw/zinc/36/87/32/564368732.db2.gz JFLXEHDABDDHBI-UHFFFAOYSA-N 0 0 384.161 2.687 20 5 GFBDRN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCSC[C@@H]1CCO ZINC000511349474 564368824 /nfs/dbraw/zinc/36/88/24/564368824.db2.gz FPGVCKKCFUXBTB-ZDUSSCGKSA-N 0 0 379.463 2.658 20 5 GFBDRN COc1ccc(CNc2c(C)cc([N+](=O)[O-])cc2Cl)cc1S(N)(=O)=O ZINC000567511369 564375286 /nfs/dbraw/zinc/37/52/86/564375286.db2.gz QWLHOBYSJAHJTH-UHFFFAOYSA-N 0 0 385.829 2.825 20 5 GFBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cc2c(cc1Br)OCO2 ZINC000477512040 564379255 /nfs/dbraw/zinc/37/92/55/564379255.db2.gz BTAXQLYPWBWJLG-UHFFFAOYSA-N 0 0 387.573 2.949 20 5 GFBDRN CO[C@H]([C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000914 564379366 /nfs/dbraw/zinc/37/93/66/564379366.db2.gz XGKRXEKPRXEQIY-ISVAXAHUSA-N 0 0 382.360 2.705 20 5 GFBDRN CO[C@@H]([C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000452000915 564379488 /nfs/dbraw/zinc/37/94/88/564379488.db2.gz XGKRXEKPRXEQIY-OQPBUACISA-N 0 0 382.360 2.705 20 5 GFBDRN Cc1c(Br)c(NC[C@H](O)CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000544446462 564385864 /nfs/dbraw/zinc/38/58/64/564385864.db2.gz NFONWRMQXKWNJM-CYBMUJFWSA-N 0 0 380.242 2.888 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2C2CC2)c(Br)c1 ZINC000452042616 564385993 /nfs/dbraw/zinc/38/59/93/564385993.db2.gz CQDWPISIVIUYJG-ONGXEEELSA-N 0 0 375.244 2.682 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(Br)o1)CC2 ZINC000544713892 564395431 /nfs/dbraw/zinc/39/54/31/564395431.db2.gz QFHDFIKMZBHGQB-UHFFFAOYSA-N 0 0 387.211 2.697 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000512490585 564404575 /nfs/dbraw/zinc/40/45/75/564404575.db2.gz NIOWZDQFKMURIM-CHWSQXEVSA-N 0 0 396.241 2.549 20 5 GFBDRN Cc1[nH]nc(C(=O)Nc2cc(I)ccc2C)c1[N+](=O)[O-] ZINC000478653356 564410746 /nfs/dbraw/zinc/41/07/46/564410746.db2.gz SPEYORBFBVKYJR-UHFFFAOYSA-N 0 0 386.149 2.792 20 5 GFBDRN COC(=O)[C@H](CNc1ncccc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000568494555 564421024 /nfs/dbraw/zinc/42/10/24/564421024.db2.gz RNJJXRPECVVHRW-ZDUSSCGKSA-N 0 0 396.197 2.785 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545551028 564427240 /nfs/dbraw/zinc/42/72/40/564427240.db2.gz PWTRTUXNMLZTIN-SECBINFHSA-N 0 0 380.407 2.746 20 5 GFBDRN CC(C)N(Cc1ccc(Br)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000513451628 564430444 /nfs/dbraw/zinc/43/04/44/564430444.db2.gz MYRIJLYZXDCZAB-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)cc1Br ZINC000545793130 564432665 /nfs/dbraw/zinc/43/26/65/564432665.db2.gz ZCPPMMMRUZEZFI-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000513737102 564437015 /nfs/dbraw/zinc/43/70/15/564437015.db2.gz UUNOQRUGXZVYFM-SECBINFHSA-N 0 0 391.243 2.511 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000513814834 564440502 /nfs/dbraw/zinc/44/05/02/564440502.db2.gz IEYHNMJAKHMYKJ-UHFFFAOYSA-N 0 0 384.797 2.860 20 5 GFBDRN O=C(CNC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000479450332 564440809 /nfs/dbraw/zinc/44/08/09/564440809.db2.gz UKXPUYOFRANJCS-UHFFFAOYSA-N 0 0 392.209 2.655 20 5 GFBDRN Cc1cc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)ccc1Br ZINC000546235773 564450895 /nfs/dbraw/zinc/45/08/95/564450895.db2.gz FRLMRYGUURSGJA-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cn1ncc2cc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cnc21 ZINC000514682508 564453793 /nfs/dbraw/zinc/45/37/93/564453793.db2.gz RBETYJJCWVFADL-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN Cc1nccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000546526796 564458381 /nfs/dbraw/zinc/45/83/81/564458381.db2.gz OGSZEJLAIARHIT-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000546880677 564472154 /nfs/dbraw/zinc/47/21/54/564472154.db2.gz IBKDNJAQGHADMS-ZDUSSCGKSA-N 0 0 381.841 2.805 20 5 GFBDRN O=c1ccccn1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000547154627 564478580 /nfs/dbraw/zinc/47/85/80/564478580.db2.gz ANBWCJYLEBZJRH-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC2Cc3ccccc3C2)c1 ZINC000547243745 564480284 /nfs/dbraw/zinc/48/02/84/564480284.db2.gz QUMLJOMHMXMZTI-UHFFFAOYSA-N 0 0 397.250 2.803 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000480850550 564491467 /nfs/dbraw/zinc/49/14/67/564491467.db2.gz YHVRJAZRAOYSOY-GFCCVEGCSA-N 0 0 384.483 2.578 20 5 GFBDRN C[C@@](O)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000480854898 564491795 /nfs/dbraw/zinc/49/17/95/564491795.db2.gz UXKNLCZTCSBVHQ-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480856603 564491850 /nfs/dbraw/zinc/49/18/50/564491850.db2.gz MVOHAEISOFEHAY-SNVBAGLBSA-N 0 0 383.813 2.554 20 5 GFBDRN Cc1c(CNC(=O)c2cnn3cc(Br)cnc23)cccc1[N+](=O)[O-] ZINC000481500581 564515366 /nfs/dbraw/zinc/51/53/66/564515366.db2.gz GLWKXLDCYLRWRV-UHFFFAOYSA-N 0 0 390.197 2.638 20 5 GFBDRN CNc1nccc(C(=O)NCc2c(C)cc(Br)cc2C)c1[N+](=O)[O-] ZINC000570642793 564515484 /nfs/dbraw/zinc/51/54/84/564515484.db2.gz BVZYKDONJMBRNS-UHFFFAOYSA-N 0 0 393.241 2.763 20 5 GFBDRN C[C@@H](NC(=O)NCc1nn(C)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000454775980 564522153 /nfs/dbraw/zinc/52/21/53/564522153.db2.gz YKQYLTFIIUZDTF-SECBINFHSA-N 0 0 382.218 2.651 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])n1 ZINC000570830220 564523586 /nfs/dbraw/zinc/52/35/86/564523586.db2.gz UNNLSHYSPKLRJM-UHFFFAOYSA-N 0 0 393.252 2.939 20 5 GFBDRN CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000517154548 564526535 /nfs/dbraw/zinc/52/65/35/564526535.db2.gz YBYJLWVPHLJTQJ-UHFFFAOYSA-N 0 0 387.830 2.789 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000482005061 564531374 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GFBDRN COc1ccc(CSCC(=O)NCc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000456138202 564590776 /nfs/dbraw/zinc/59/07/76/564590776.db2.gz XXZKSLOQYRTFLF-UHFFFAOYSA-N 0 0 384.845 2.540 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@](C)(C(F)(F)F)O1 ZINC000549513358 564596596 /nfs/dbraw/zinc/59/65/96/564596596.db2.gz YCCQABMUZVCIKB-LLVKDONJSA-N 0 0 388.389 2.777 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000549537411 564597488 /nfs/dbraw/zinc/59/74/88/564597488.db2.gz CBYNGLIENPAGRV-DTORHVGOSA-N 0 0 382.269 2.615 20 5 GFBDRN NS(=O)(=O)c1c(NCc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000520139412 564597889 /nfs/dbraw/zinc/59/78/89/564597889.db2.gz UCOYHBXQZPRKSD-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000456502871 564613980 /nfs/dbraw/zinc/61/39/80/564613980.db2.gz VFZVAVNMTUIYPI-SECBINFHSA-N 0 0 381.230 2.760 20 5 GFBDRN Cc1c(NS(=O)(=O)N2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000485397270 564614976 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CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000525381734 564699721 /nfs/dbraw/zinc/69/97/21/564699721.db2.gz YWVFHBPAHQHDKT-AAEUAGOBSA-N 0 0 382.463 2.895 20 5 GFBDRN C[C@@H](CN([C@@H](C)CO)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000575771726 564704028 /nfs/dbraw/zinc/70/40/28/564704028.db2.gz JZERRSBGLASUQK-STQMWFEESA-N 0 0 384.479 2.832 20 5 GFBDRN Cc1nc2ccc(Br)cn2c1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000576498901 564714284 /nfs/dbraw/zinc/71/42/84/564714284.db2.gz CZSPUZXPIGCWIJ-UHFFFAOYSA-N 0 0 390.197 2.985 20 5 GFBDRN CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488947280 564725187 /nfs/dbraw/zinc/72/51/87/564725187.db2.gz STHSMZGEJMDKKY-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000553570107 564727759 /nfs/dbraw/zinc/72/77/59/564727759.db2.gz JZGIWGUOPMSNBD-OAHLLOKOSA-N 0 0 384.841 2.959 20 5 GFBDRN CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000527087812 564730209 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O=[N+]([O-])c1cc(I)cc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459782883 564761114 /nfs/dbraw/zinc/76/11/14/564761114.db2.gz YKTSSMDKURKALQ-RYUDHWBXSA-N 0 0 376.219 2.889 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)NCCc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000490463873 564773469 /nfs/dbraw/zinc/77/34/69/564773469.db2.gz HTRFJKQYGHUBSX-UHFFFAOYSA-N 0 0 384.483 2.708 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000580791888 564773684 /nfs/dbraw/zinc/77/36/84/564773684.db2.gz KFODAUWLYIGWAG-AWEZNQCLSA-N 0 0 398.188 2.663 20 5 GFBDRN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC000555143203 564784600 /nfs/dbraw/zinc/78/46/00/564784600.db2.gz XLIRGKTWMVYYMO-SECBINFHSA-N 0 0 395.213 2.731 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cncc(C(F)(F)F)c1 ZINC000461079017 564788871 /nfs/dbraw/zinc/78/88/71/564788871.db2.gz XBPKMCWVOZKLBB-UHFFFAOYSA-N 0 0 378.104 2.981 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c([N+](=O)[O-])n1 ZINC000555455951 564794402 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COC(=O)c1ccc(Cl)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000494172447 564819175 /nfs/dbraw/zinc/81/91/75/564819175.db2.gz WCFFZVRSABZRQZ-UHFFFAOYSA-N 0 0 384.797 2.977 20 5 GFBDRN NC(=O)NCc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556462853 564827448 /nfs/dbraw/zinc/82/74/48/564827448.db2.gz HIFJFJNGQFIMFJ-UHFFFAOYSA-N 0 0 393.197 2.778 20 5 GFBDRN O=C(NCC12CCC(CC1)C2)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556527231 564828944 /nfs/dbraw/zinc/82/89/44/564828944.db2.gz VJQRQHNRHHOACT-UHFFFAOYSA-N 0 0 396.241 2.992 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N(CC(F)F)C1CC1 ZINC000556562671 564830894 /nfs/dbraw/zinc/83/08/94/564830894.db2.gz UTYZUADDXVHYTN-UHFFFAOYSA-N 0 0 392.156 2.552 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000462292527 564831814 /nfs/dbraw/zinc/83/18/14/564831814.db2.gz DFTNQSOWTOZIPS-ZJUUUORDSA-N 0 0 384.380 2.553 20 5 GFBDRN COc1ccnc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000495290074 564852513 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O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1 ZINC000498552075 564901506 /nfs/dbraw/zinc/90/15/06/564901506.db2.gz QSSAXMOWLMNSPT-UHFFFAOYSA-N 0 0 377.198 2.764 20 5 GFBDRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000583716657 564904136 /nfs/dbraw/zinc/90/41/36/564904136.db2.gz LFTAORVOOGZNCV-AWEZNQCLSA-N 0 0 385.873 2.561 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH]cc(Br)c2=O)c1 ZINC000558830883 564916007 /nfs/dbraw/zinc/91/60/07/564916007.db2.gz ITYMTCBDTKVHSB-UHFFFAOYSA-N 0 0 382.170 2.697 20 5 GFBDRN CCOC(=O)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000466294986 564936891 /nfs/dbraw/zinc/93/68/91/564936891.db2.gz CJTOSWHCMAGZGG-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN CO[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000466736170 564946372 /nfs/dbraw/zinc/94/63/72/564946372.db2.gz UGNHGWBKFYFHLE-UFBFGSQYSA-N 0 0 383.253 2.947 20 5 GFBDRN CN(CC[C@H]1CCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000466848960 564948792 /nfs/dbraw/zinc/94/87/92/564948792.db2.gz LMEPVFKESFKIOK-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN C[C@@H](CCC1CC1)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560212426 564954617 /nfs/dbraw/zinc/95/46/17/564954617.db2.gz ZBDQWFIPSJXCCK-VIFPVBQESA-N 0 0 384.230 2.991 20 5 GFBDRN NC(=O)c1ccc(CN2CCOc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC000467147017 564956585 /nfs/dbraw/zinc/95/65/85/564956585.db2.gz HWRNVVRNOVOMTA-UHFFFAOYSA-N 0 0 392.209 2.855 20 5 GFBDRN CC[C@H](CSc1ccccc1)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533175520 564957369 /nfs/dbraw/zinc/95/73/69/564957369.db2.gz BUDCLCPNKDPCOG-GFCCVEGCSA-N 0 0 384.483 2.660 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2F)cc1[N+](=O)[O-] ZINC000467304534 564959906 /nfs/dbraw/zinc/95/99/06/564959906.db2.gz MZWSHZVXVZHTLU-UHFFFAOYSA-N 0 0 387.776 2.595 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467397559 564961678 /nfs/dbraw/zinc/96/16/78/564961678.db2.gz XUTBHCTXVKCFHL-LLVKDONJSA-N 0 0 381.479 2.694 20 5 GFBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000560526350 564966598 /nfs/dbraw/zinc/96/65/98/564966598.db2.gz FMAIMKOESOOWEE-UHFFFAOYSA-N 0 0 383.202 2.622 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000501121562 564971391 /nfs/dbraw/zinc/97/13/91/564971391.db2.gz WOSZHZIZYULORS-OLZOCXBDSA-N 0 0 397.229 2.632 20 5 GFBDRN NC(=O)c1ccc(SCC(=O)Nc2ccc(Cl)cc2O)c([N+](=O)[O-])c1 ZINC000533971710 564977360 /nfs/dbraw/zinc/97/73/60/564977360.db2.gz YLPAWDUGEVVYEC-UHFFFAOYSA-N 0 0 381.797 2.784 20 5 GFBDRN C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000468349298 564982769 /nfs/dbraw/zinc/98/27/69/564982769.db2.gz APBMCHAQUJCGEE-SNVBAGLBSA-N 0 0 383.451 2.620 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000468526321 564985729 /nfs/dbraw/zinc/98/57/29/564985729.db2.gz CBVUHHUQJYDWIE-UHFFFAOYSA-N 0 0 388.760 2.975 20 5 GFBDRN CSc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000561167917 564986442 /nfs/dbraw/zinc/98/64/42/564986442.db2.gz MSSPFHWTXCZWQT-ONGXEEELSA-N 0 0 378.372 2.950 20 5 GFBDRN NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000502019435 564990387 /nfs/dbraw/zinc/99/03/87/564990387.db2.gz ROYKRTSIUBQOEU-UHFFFAOYSA-N 0 0 390.204 2.801 20 5 GFBDRN CCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1Cl ZINC000561347767 564992220 /nfs/dbraw/zinc/99/22/20/564992220.db2.gz ZEQKRPDHVRBRMM-UHFFFAOYSA-N 0 0 385.829 2.906 20 5 GFBDRN Cc1cc(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(F)cc1F ZINC000502132807 564992250 /nfs/dbraw/zinc/99/22/50/564992250.db2.gz JZRMAWBCGJNQGU-UHFFFAOYSA-N 0 0 387.136 2.989 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)c(Br)c1 ZINC000468777972 564993589 /nfs/dbraw/zinc/99/35/89/564993589.db2.gz BWRPQQVXXSXLFX-UHFFFAOYSA-N 0 0 385.239 2.878 20 5 GFBDRN COCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468930980 564999304 /nfs/dbraw/zinc/99/93/04/564999304.db2.gz LMITVAVJOSOBPU-UHFFFAOYSA-N 0 0 386.451 2.502 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(O)cc(Br)cc1Cl ZINC000561692937 565005805 /nfs/dbraw/zinc/00/58/05/565005805.db2.gz OMAYFLOIXOGTOU-UHFFFAOYSA-N 0 0 375.566 2.552 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1cc(Cl)ccc1F)CCO2 ZINC000562061062 565017492 /nfs/dbraw/zinc/01/74/92/565017492.db2.gz VOYMSDLUKJTDKD-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN CS(=O)(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000535990583 565026277 /nfs/dbraw/zinc/02/62/77/565026277.db2.gz CZQNRBVOBXAVGK-NSHDSACASA-N 0 0 381.376 2.522 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Br)cc1 ZINC000536423184 565037009 /nfs/dbraw/zinc/03/70/09/565037009.db2.gz RSNAOSOVLZPPAR-OAHLLOKOSA-N 0 0 379.210 2.750 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCS1 ZINC000536502029 565039262 /nfs/dbraw/zinc/03/92/62/565039262.db2.gz LLSLMZUNUREUET-GFCCVEGCSA-N 0 0 384.479 2.875 20 5 GFBDRN O=[N+]([O-])c1cc2c(ncnc2N2CCN(c3ncccc3Cl)CC2)s1 ZINC000562868164 565045459 /nfs/dbraw/zinc/04/54/59/565045459.db2.gz YPHSHQFHVWBFFV-UHFFFAOYSA-N 0 0 376.829 2.975 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@@H]2CSc3ccccc3O2)cc1[N+](=O)[O-] ZINC000563058977 565053518 /nfs/dbraw/zinc/05/35/18/565053518.db2.gz PSPPIVTUBXTGBV-SNVBAGLBSA-N 0 0 386.476 2.796 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000585732462 565108101 /nfs/dbraw/zinc/10/81/01/565108101.db2.gz AYVKDGPODDWPTB-SNVBAGLBSA-N 0 0 381.182 2.667 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000586771902 565116111 /nfs/dbraw/zinc/11/61/11/565116111.db2.gz CFKDICZMFWUSFS-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN CC(C)(C)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000586834254 565119131 /nfs/dbraw/zinc/11/91/31/565119131.db2.gz XXGHQIMYKVRAHN-UHFFFAOYSA-N 0 0 383.451 2.854 20 5 GFBDRN O=C(N1CCCC1)N1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000588068956 565124590 /nfs/dbraw/zinc/12/45/90/565124590.db2.gz QOLLFUNMGFTVFJ-LBPRGKRZSA-N 0 0 398.261 2.844 20 5 GFBDRN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(CSC)o2)c([N+](=O)[O-])c1 ZINC000589041547 565147547 /nfs/dbraw/zinc/14/75/47/565147547.db2.gz CIEPHZXREVUUDK-MRVPVSSYSA-N 0 0 384.439 2.969 20 5 GFBDRN Cc1noc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000589259683 565159337 /nfs/dbraw/zinc/15/93/37/565159337.db2.gz GPQGCYDOSAUYQD-ZETCQYMHSA-N 0 0 388.165 2.742 20 5 GFBDRN C[C@H](Cc1cccc(Br)c1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589566499 565166249 /nfs/dbraw/zinc/16/62/49/565166249.db2.gz ONTNLJFQQSTJNL-SECBINFHSA-N 0 0 379.214 2.894 20 5 GFBDRN CN(Cc1nc(-c2cccnc2)no1)c1c(Br)cncc1[N+](=O)[O-] ZINC000589582851 565166506 /nfs/dbraw/zinc/16/65/06/565166506.db2.gz MBWNGDFTQFWFDB-UHFFFAOYSA-N 0 0 391.185 2.834 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000590165618 565179729 /nfs/dbraw/zinc/17/97/29/565179729.db2.gz ADLQMBCZXZGBDH-JTQLQIEISA-N 0 0 397.356 2.642 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCc2sccc2C1 ZINC000590573451 565192921 /nfs/dbraw/zinc/19/29/21/565192921.db2.gz WULJRDJCZCUCKW-UHFFFAOYSA-N 0 0 381.479 2.907 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(OC(F)F)CC1 ZINC000590764534 565201668 /nfs/dbraw/zinc/20/16/68/565201668.db2.gz KYZKCXZZMVMTBW-UHFFFAOYSA-N 0 0 378.397 2.986 20 5 GFBDRN C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326605 565224048 /nfs/dbraw/zinc/22/40/48/565224048.db2.gz VYFFUTKNPTYHOP-VHSXEESVSA-N 0 0 382.360 2.707 20 5 GFBDRN C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(F)F ZINC000592067586 565251823 /nfs/dbraw/zinc/25/18/23/565251823.db2.gz JWEFALYMMJRMNY-ZETCQYMHSA-N 0 0 387.202 2.927 20 5 GFBDRN CCN(CCSC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592113453 565257806 /nfs/dbraw/zinc/25/78/06/565257806.db2.gz RQGBNRVKWHJCAG-UHFFFAOYSA-N 0 0 383.289 2.731 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000618179869 565277559 /nfs/dbraw/zinc/27/75/59/565277559.db2.gz CYFMOWSEPDHYGL-ZDUSSCGKSA-N 0 0 382.825 2.790 20 5 GFBDRN C[C@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000592584251 565283100 /nfs/dbraw/zinc/28/31/00/565283100.db2.gz BFKZXNCJCVSPHO-LLVKDONJSA-N 0 0 381.230 2.864 20 5 GFBDRN C[C@@H]1SCC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592736030 565290984 /nfs/dbraw/zinc/29/09/84/565290984.db2.gz PPSCLLDABIABBC-WRWORJQWSA-N 0 0 392.218 2.823 20 5 GFBDRN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593188876 565318868 /nfs/dbraw/zinc/31/88/68/565318868.db2.gz DQSDBZBNYNGTQN-HLTSFMKQSA-N 0 0 376.276 2.972 20 5 GFBDRN C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000593548367 565340606 /nfs/dbraw/zinc/34/06/06/565340606.db2.gz XPNFIUWUCGULCW-WBMJQRKESA-N 0 0 379.463 2.857 20 5 GFBDRN CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000593565425 565342664 /nfs/dbraw/zinc/34/26/64/565342664.db2.gz HZCDVQUDHDKPKM-LBPRGKRZSA-N 0 0 382.467 2.707 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COc2c1cccc2Cl ZINC000619490778 565344910 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/nfs/dbraw/zinc/73/04/26/563730426.db2.gz XXOVZPHILBBTGO-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000291117413 563731990 /nfs/dbraw/zinc/73/19/90/563731990.db2.gz LCNXVLVJXLWTIZ-JTQLQIEISA-N 0 0 393.248 2.693 20 5 GFBDRN CCN(C[C@H](C)OC)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000291441830 563743161 /nfs/dbraw/zinc/74/31/61/563743161.db2.gz KOANNCOEBKDEOV-VIFPVBQESA-N 0 0 392.193 2.696 20 5 GFBDRN COC[C@@H]1CCCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000364131727 563744419 /nfs/dbraw/zinc/74/44/19/563744419.db2.gz AGNBJXSFLUNSPZ-LLVKDONJSA-N 0 0 378.397 2.844 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOc2c(Br)cccc21 ZINC000441529314 563761466 /nfs/dbraw/zinc/76/14/66/563761466.db2.gz JLIZDIXMIQQKHR-UHFFFAOYSA-N 0 0 395.213 2.678 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000292487808 563788566 /nfs/dbraw/zinc/78/85/66/563788566.db2.gz OAIMCRXKLHTXTL-HTQZYQBOSA-N 0 0 381.237 2.549 20 5 GFBDRN COc1ccc(CN(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1O ZINC000443179475 563794282 /nfs/dbraw/zinc/79/42/82/563794282.db2.gz GVVXIAFJZHZOSO-UHFFFAOYSA-N 0 0 386.813 2.783 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CO)c1c(F)cccc1F ZINC000443273405 563798502 /nfs/dbraw/zinc/79/85/02/563798502.db2.gz VGAMOYQYLJWMDM-LLVKDONJSA-N 0 0 392.767 2.538 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCCO)Cc1ccccc1 ZINC000443500514 563807519 /nfs/dbraw/zinc/80/75/19/563807519.db2.gz QJZITHJRZULJRW-UHFFFAOYSA-N 0 0 384.841 2.822 20 5 GFBDRN O=C(N[C@H]1CCN(c2cccnc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366474945 563810080 /nfs/dbraw/zinc/81/00/80/563810080.db2.gz QNDCOYFWLBQCJK-ZDUSSCGKSA-N 0 0 391.225 2.761 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000443951814 563816065 /nfs/dbraw/zinc/81/60/65/563816065.db2.gz ZHNDIWXJDNVAHY-NSHDSACASA-N 0 0 377.260 2.761 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000416381988 563820545 /nfs/dbraw/zinc/82/05/45/563820545.db2.gz BTXPZXKMNGKPPJ-SECBINFHSA-N 0 0 382.360 2.802 20 5 GFBDRN CCCCCN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416403930 563823855 /nfs/dbraw/zinc/82/38/55/563823855.db2.gz PABYZSIYUXLYQM-UHFFFAOYSA-N 0 0 384.376 2.787 20 5 GFBDRN CCSCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416413864 563824922 /nfs/dbraw/zinc/82/49/22/563824922.db2.gz QFVJVUFTUKRNOF-NSHDSACASA-N 0 0 390.483 2.534 20 5 GFBDRN CN(Cc1nccs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416421150 563826668 /nfs/dbraw/zinc/82/66/68/563826668.db2.gz ZGJMBLHNWRMAIN-UHFFFAOYSA-N 0 0 381.357 2.891 20 5 GFBDRN Cn1cc([C@@H](O)C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000367262922 563838587 /nfs/dbraw/zinc/83/85/87/563838587.db2.gz SUYDABYNPZHGMB-RISCZKNCSA-N 0 0 396.245 2.578 20 5 GFBDRN COC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493385 563838677 /nfs/dbraw/zinc/83/86/77/563838677.db2.gz DOKWSZLOXNHKLU-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN CO[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416498638 563839347 /nfs/dbraw/zinc/83/93/47/563839347.db2.gz XYSMMIQEXJCSBS-OQPBUACISA-N 0 0 382.360 2.705 20 5 GFBDRN O=C(NCCSCC(F)(F)F)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445225595 563845711 /nfs/dbraw/zinc/84/57/11/563845711.db2.gz RPFZQQVBFDJYGV-UHFFFAOYSA-N 0 0 377.348 2.566 20 5 GFBDRN O=C(Nc1cccc2c1C(=O)NC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000445256679 563847220 /nfs/dbraw/zinc/84/72/20/563847220.db2.gz WYGHZAJLRTWGCJ-UHFFFAOYSA-N 0 0 382.195 2.915 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000445713481 563852807 /nfs/dbraw/zinc/85/28/07/563852807.db2.gz FWVFVUOTSLYESM-LLVKDONJSA-N 0 0 383.253 2.683 20 5 GFBDRN COC1([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000416610750 563853360 /nfs/dbraw/zinc/85/33/60/563853360.db2.gz AJAJVNNQRKHBNK-VIFPVBQESA-N 0 0 382.360 2.850 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC(C)C ZINC000416639467 563856450 /nfs/dbraw/zinc/85/64/50/563856450.db2.gz ASUYHIKCKMJIKW-NSHDSACASA-N 0 0 384.376 2.953 20 5 GFBDRN CCOC(=O)c1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000447323050 563880039 /nfs/dbraw/zinc/88/00/39/563880039.db2.gz DCQBQHIYFUACDV-QMMMGPOBSA-N 0 0 382.423 2.742 20 5 GFBDRN Cc1cc(Br)c(=O)n(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000447423558 563881486 /nfs/dbraw/zinc/88/14/86/563881486.db2.gz RVSAKFJAPZUIAR-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H](O)Cc2ccccc21 ZINC000447715860 563885435 /nfs/dbraw/zinc/88/54/35/563885435.db2.gz RCOHQIHRUJJENO-GFCCVEGCSA-N 0 0 377.194 2.921 20 5 GFBDRN CC(C)(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)(F)F ZINC000448699995 563900233 /nfs/dbraw/zinc/90/02/33/563900233.db2.gz VZVIZEURPXHBQQ-UHFFFAOYSA-N 0 0 375.397 2.622 20 5 GFBDRN NC(=O)CSc1nnc(SCc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000505439192 564183808 /nfs/dbraw/zinc/18/38/08/564183808.db2.gz VQDSKKAFJYGTOI-UHFFFAOYSA-N 0 0 378.407 2.594 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1nc(-c2cccc(Br)c2)no1 ZINC000471558743 564197773 /nfs/dbraw/zinc/19/77/73/564197773.db2.gz LCOQIEDUDQPJNG-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(Cl)c1 ZINC000472222298 564217515 /nfs/dbraw/zinc/21/75/15/564217515.db2.gz NIFKICJFAIKOAW-CYBMUJFWSA-N 0 0 384.797 2.962 20 5 GFBDRN CCOC(=O)C1(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000472276703 564218461 /nfs/dbraw/zinc/21/84/61/564218461.db2.gz IBXDQVHOZVIETF-UHFFFAOYSA-N 0 0 385.214 2.739 20 5 GFBDRN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])nn1-c1ccc(Cl)c(Cl)c1 ZINC000539693771 564224931 /nfs/dbraw/zinc/22/49/31/564224931.db2.gz ZFYSNQKMFATOFM-UHFFFAOYSA-N 0 0 381.179 2.793 20 5 GFBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn2ccc(Br)cc2n1 ZINC000507494865 564230749 /nfs/dbraw/zinc/23/07/49/564230749.db2.gz ZANNHZQOEYZILT-UHFFFAOYSA-N 0 0 389.209 2.978 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1OC(F)F ZINC000450814847 564249446 /nfs/dbraw/zinc/24/94/46/564249446.db2.gz WMDIIJBGBLZRDU-HNNXBMFYSA-N 0 0 376.381 2.601 20 5 GFBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000473774553 564254331 /nfs/dbraw/zinc/25/43/31/564254331.db2.gz TWUODXAUCFOSFI-NSHDSACASA-N 0 0 383.191 2.765 20 5 GFBDRN O=[N+]([O-])c1cnn(Cc2nc(Cc3cc(F)cc(Br)c3)no2)c1 ZINC000508631685 564268703 /nfs/dbraw/zinc/26/87/03/564268703.db2.gz LTHUKABZWJUAAS-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cccc(Br)c1F ZINC000541246685 564270526 /nfs/dbraw/zinc/27/05/26/564270526.db2.gz QBNUEIPKTLMBMW-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN CCOC(=O)C[C@@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000541312264 564274357 /nfs/dbraw/zinc/27/43/57/564274357.db2.gz JANUJTFODRTQFS-MRVPVSSYSA-N 0 0 399.252 2.864 20 5 GFBDRN O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000509147454 564283401 /nfs/dbraw/zinc/28/34/01/564283401.db2.gz UFUGQTGVXPZBEC-UHFFFAOYSA-N 0 0 399.222 2.770 20 5 GFBDRN CSc1cccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000509240025 564289647 /nfs/dbraw/zinc/28/96/47/564289647.db2.gz LOCANXSIDYWTKD-UHFFFAOYSA-N 0 0 378.435 2.672 20 5 GFBDRN Cc1nc(NCCNc2ncc(C(F)(F)F)cc2Cl)ncc1[N+](=O)[O-] ZINC000565697709 564292320 /nfs/dbraw/zinc/29/23/20/564292320.db2.gz KESFDFTUHYZQTO-UHFFFAOYSA-N 0 0 376.726 2.706 20 5 GFBDRN CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541924574 564294579 /nfs/dbraw/zinc/29/45/79/564294579.db2.gz CBDGJYLANPIZRQ-UHFFFAOYSA-N 0 0 395.213 2.717 20 5 GFBDRN CCC[C@H](C)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000565838198 564298844 /nfs/dbraw/zinc/29/88/44/564298844.db2.gz MMBCAXLJHLSVBW-CABZTGNLSA-N 0 0 384.376 2.689 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000542104430 564301354 /nfs/dbraw/zinc/30/13/54/564301354.db2.gz IFMVVNHWRUXRFU-UHFFFAOYSA-N 0 0 388.760 2.975 20 5 GFBDRN CS(=O)(=O)c1ccc(SC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542191372 564303732 /nfs/dbraw/zinc/30/37/32/564303732.db2.gz OXIGKORJGLCLQI-LBPRGKRZSA-N 0 0 383.447 2.530 20 5 GFBDRN COCC[C@H](Cc1ccco1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542242241 564306963 /nfs/dbraw/zinc/30/69/63/564306963.db2.gz VHVKRPHBVWJLOZ-LLVKDONJSA-N 0 0 388.829 2.767 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000475433441 564308842 /nfs/dbraw/zinc/30/88/42/564308842.db2.gz IWRYGBYVTUUAST-HNNXBMFYSA-N 0 0 378.226 2.982 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000475847979 564322899 /nfs/dbraw/zinc/32/28/99/564322899.db2.gz GVGOBLPWKXUVOP-UHFFFAOYSA-N 0 0 395.340 2.726 20 5 GFBDRN Cc1nnc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000542802031 564326583 /nfs/dbraw/zinc/32/65/83/564326583.db2.gz NUWKRCQMJXPVTM-UHFFFAOYSA-N 0 0 376.316 2.626 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN(c2ccc(Br)cc2)C2CC2)c1 ZINC000451667339 564338570 /nfs/dbraw/zinc/33/85/70/564338570.db2.gz JEVVSQNRAXZBBN-HNNXBMFYSA-N 0 0 381.230 2.584 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC000543147000 564339196 /nfs/dbraw/zinc/33/91/96/564339196.db2.gz LZOSGSOXFJKKPP-UHFFFAOYSA-N 0 0 383.202 2.916 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451744251 564347031 /nfs/dbraw/zinc/34/70/31/564347031.db2.gz LCLBJFANSGIIKI-HNNXBMFYSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1cn2c(n1)[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)CCC2 ZINC000543436896 564350362 /nfs/dbraw/zinc/35/03/62/564350362.db2.gz CBVDOVLREUKPLL-LLVKDONJSA-N 0 0 380.246 2.977 20 5 GFBDRN Cc1c(Br)c(NCCC(=O)N2CCCCCC2)ncc1[N+](=O)[O-] ZINC000543438396 564350772 /nfs/dbraw/zinc/35/07/72/564350772.db2.gz OAVJZVJFTFKUDU-UHFFFAOYSA-N 0 0 385.262 2.687 20 5 GFBDRN Cc1c(Br)c(N2CCC(C(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000543451329 564351500 /nfs/dbraw/zinc/35/15/00/564351500.db2.gz ZFBXZMCPMFSAKN-UHFFFAOYSA-N 0 0 397.273 2.900 20 5 GFBDRN O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])cc1I ZINC000511142305 564359568 /nfs/dbraw/zinc/35/95/68/564359568.db2.gz AFLAFJBIBJLXGE-UHFFFAOYSA-N 0 0 383.145 2.524 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(CSC)cc1 ZINC000511410300 564372021 /nfs/dbraw/zinc/37/20/21/564372021.db2.gz JBVVHTHKXOZUJY-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000544075905 564373517 /nfs/dbraw/zinc/37/35/17/564373517.db2.gz PDFMEQAQOVIIBL-UHFFFAOYSA-N 0 0 398.257 2.834 20 5 GFBDRN Cc1ccc(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC000477424146 564376886 /nfs/dbraw/zinc/37/68/86/564376886.db2.gz RHZCOMGMULKDMT-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN O=C(Nc1ccncc1Br)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477725504 564384633 /nfs/dbraw/zinc/38/46/33/564384633.db2.gz KTJVGLBOCAHZIA-UHFFFAOYSA-N 0 0 388.181 2.612 20 5 GFBDRN CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)C ZINC000512181576 564395071 /nfs/dbraw/zinc/39/50/71/564395071.db2.gz OGYBQMVSUIFWNC-LBPRGKRZSA-N 0 0 392.861 2.893 20 5 GFBDRN COC(=O)c1cnc(Sc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])c1 ZINC000478254545 564397448 /nfs/dbraw/zinc/39/74/48/564397448.db2.gz HYYKBVLBIGRZIW-UHFFFAOYSA-N 0 0 377.407 2.785 20 5 GFBDRN Cc1ccc(CN(CCO)C(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000478383798 564400852 /nfs/dbraw/zinc/40/08/52/564400852.db2.gz AWCLQSPBGYAZQA-UHFFFAOYSA-N 0 0 383.198 2.893 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000512490404 564404363 /nfs/dbraw/zinc/40/43/63/564404363.db2.gz MIZZIQAFDVRTLR-NWDGAFQWSA-N 0 0 383.857 2.610 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000512490591 564404458 /nfs/dbraw/zinc/40/44/58/564404458.db2.gz NIOWZDQFKMURIM-QWHCGFSZSA-N 0 0 396.241 2.549 20 5 GFBDRN CC[C@@H](CC(F)(F)F)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000545464071 564424552 /nfs/dbraw/zinc/42/45/52/564424552.db2.gz QFXLFUQONNIWHU-VIFPVBQESA-N 0 0 379.360 2.633 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn(C)cc1Br ZINC000452750456 564428894 /nfs/dbraw/zinc/42/88/94/564428894.db2.gz AKVSGFDTPYXOHN-SECBINFHSA-N 0 0 399.270 2.888 20 5 GFBDRN CC(C)N(Cc1cccc(Br)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000513450871 564430326 /nfs/dbraw/zinc/43/03/26/564430326.db2.gz GNPYXZMDEHYBJS-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN Cn1cc(Br)c(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000452764515 564430437 /nfs/dbraw/zinc/43/04/37/564430437.db2.gz IBRRZOPXYKRUGE-UHFFFAOYSA-N 0 0 381.230 2.685 20 5 GFBDRN Cc1ccc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)cc1Br ZINC000545788706 564432763 /nfs/dbraw/zinc/43/27/63/564432763.db2.gz ZZJGLXVKSALNOQ-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000452852954 564435158 /nfs/dbraw/zinc/43/51/58/564435158.db2.gz TYLYCWSMVWIEOD-NSHDSACASA-N 0 0 379.214 2.721 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(Br)ccc1=O ZINC000545959759 564439284 /nfs/dbraw/zinc/43/92/84/564439284.db2.gz VNWLGPPHCKYCLM-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)c(F)c1 ZINC000513849605 564440921 /nfs/dbraw/zinc/44/09/21/564440921.db2.gz BXKAJEAQZGJSGR-UHFFFAOYSA-N 0 0 388.804 2.882 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C3CC3)C2)c(Br)c1 ZINC000479456433 564440906 /nfs/dbraw/zinc/44/09/06/564440906.db2.gz MZRMEBOOPNOSBG-JTQLQIEISA-N 0 0 375.244 2.778 20 5 GFBDRN C[S@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000569070770 564447311 /nfs/dbraw/zinc/44/73/11/564447311.db2.gz UHBXIANPWVSUMV-QHCPKHFHSA-N 0 0 388.854 2.928 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)NCCCCSC)cc([N+](=O)[O-])c1C ZINC000514630734 564451985 /nfs/dbraw/zinc/45/19/85/564451985.db2.gz BQWUAHMJOCKUNU-UHFFFAOYSA-N 0 0 390.483 2.501 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc(Br)ccn2)CC1 ZINC000480104032 564460136 /nfs/dbraw/zinc/46/01/36/564460136.db2.gz GHYXBVOFGAVJIL-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000546799339 564468757 /nfs/dbraw/zinc/46/87/57/564468757.db2.gz PRBVVFDBGGDPMM-UHFFFAOYSA-N 0 0 380.813 2.516 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c1 ZINC000546884785 564472646 /nfs/dbraw/zinc/47/26/46/564472646.db2.gz YFXNZBFPBGYDON-UHFFFAOYSA-N 0 0 382.360 2.601 20 5 GFBDRN O=c1ccn(Cc2nc(-c3cc(F)cc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000546979318 564476168 /nfs/dbraw/zinc/47/61/68/564476168.db2.gz QEMJAAOVMFCSKB-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN COCCC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480602130 564478994 /nfs/dbraw/zinc/47/89/94/564478994.db2.gz ARMAXFLIRGPQEI-AWEZNQCLSA-N 0 0 384.479 2.973 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)O ZINC000480880737 564492948 /nfs/dbraw/zinc/49/29/48/564492948.db2.gz JAGXVOPYPKMLAS-LBPRGKRZSA-N 0 0 384.376 2.687 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000570783324 564521537 /nfs/dbraw/zinc/52/15/37/564521537.db2.gz RXNITNHZGYIYOR-SNVBAGLBSA-N 0 0 397.356 2.642 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000481803208 564524052 /nfs/dbraw/zinc/52/40/52/564524052.db2.gz VBATUVSRBRONHU-UHFFFAOYSA-N 0 0 394.229 2.943 20 5 GFBDRN C[C@@H](CC[S@@](C)=O)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000482007560 564531475 /nfs/dbraw/zinc/53/14/75/564531475.db2.gz PPVYIOKABKQJOO-GTUYJWLHSA-N 0 0 386.271 2.896 20 5 GFBDRN COC(=O)c1sc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1C(C)C ZINC000518769765 564561550 /nfs/dbraw/zinc/56/15/50/564561550.db2.gz ADDPIXZQLXGFDV-UHFFFAOYSA-N 0 0 385.423 2.762 20 5 GFBDRN CCOCC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000518786435 564562542 /nfs/dbraw/zinc/56/25/42/564562542.db2.gz DWYMYYQBHNSOGA-UHFFFAOYSA-N 0 0 384.376 2.955 20 5 GFBDRN Cc1ccc(Br)c2c1N(C(=O)c1cc([N+](=O)[O-])nn1C)CCC2 ZINC000484142619 564582440 /nfs/dbraw/zinc/58/24/40/564582440.db2.gz SMCIGSKGCSGKGG-UHFFFAOYSA-N 0 0 379.214 2.992 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)COc2cnc3c(Br)cccc3c2)c1 ZINC000548982653 564582798 /nfs/dbraw/zinc/58/27/98/564582798.db2.gz JSDWUXSUJBLHCM-LBPRGKRZSA-N 0 0 393.197 2.542 20 5 GFBDRN CN(C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000456052334 564585826 /nfs/dbraw/zinc/58/58/26/564585826.db2.gz PQUWKILNDLJHMW-UHFFFAOYSA-N 0 0 376.381 2.648 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](SC)C1 ZINC000456058989 564586160 /nfs/dbraw/zinc/58/61/60/564586160.db2.gz PMYZFSKLMIFXEF-LBPRGKRZSA-N 0 0 384.479 2.828 20 5 GFBDRN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000456100811 564588317 /nfs/dbraw/zinc/58/83/17/564588317.db2.gz BPRMVAOKVWEAQW-LBPRGKRZSA-N 0 0 399.197 2.765 20 5 GFBDRN COCc1cc(Cl)cc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000519783509 564590488 /nfs/dbraw/zinc/59/04/88/564590488.db2.gz AHVKOUPXUPVUDP-UHFFFAOYSA-N 0 0 384.841 2.916 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000456184598 564592576 /nfs/dbraw/zinc/59/25/76/564592576.db2.gz FNOIYJLRBOZMBQ-JSGCOSHPSA-N 0 0 386.495 2.501 20 5 GFBDRN CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000549942533 564610987 /nfs/dbraw/zinc/61/09/87/564610987.db2.gz WXPHWGIOKNRFLE-HNNXBMFYSA-N 0 0 376.862 2.667 20 5 GFBDRN Cc1[nH]n(C)c2nnc(NC(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c1-2 ZINC000485594695 564621381 /nfs/dbraw/zinc/62/13/81/564621381.db2.gz BPWHYSGHLKCUHF-UHFFFAOYSA-N 0 0 394.189 2.920 20 5 GFBDRN CCN1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1=O ZINC000485699094 564623829 /nfs/dbraw/zinc/62/38/29/564623829.db2.gz VCJIMPFZNINNSY-UHFFFAOYSA-N 0 0 390.259 2.502 20 5 GFBDRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000456740759 564632520 /nfs/dbraw/zinc/63/25/20/564632520.db2.gz ZWILOKKWAXENKH-LLVKDONJSA-N 0 0 397.225 2.840 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000485960671 564633461 /nfs/dbraw/zinc/63/34/61/564633461.db2.gz VLPSDDFFBCMQNC-GFCCVEGCSA-N 0 0 381.237 2.701 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCSC2)c(Br)c1 ZINC000521654883 564633422 /nfs/dbraw/zinc/63/34/22/564633422.db2.gz BZNJFRSWHNBLDH-SECBINFHSA-N 0 0 395.300 2.779 20 5 GFBDRN CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] ZINC000486415525 564651417 /nfs/dbraw/zinc/65/14/17/564651417.db2.gz JBEZKXPEFRAOGX-OCCSQVGLSA-N 0 0 386.495 2.745 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000551556494 564654030 /nfs/dbraw/zinc/65/40/30/564654030.db2.gz WUSLIVAKXMOYHZ-UHFFFAOYSA-N 0 0 384.845 2.568 20 5 GFBDRN CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000487467388 564688584 /nfs/dbraw/zinc/68/85/84/564688584.db2.gz ZLTMOLUQQQNLQK-LBPRGKRZSA-N 0 0 393.241 2.917 20 5 GFBDRN CO[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000458190283 564692935 /nfs/dbraw/zinc/69/29/35/564692935.db2.gz MKQOVKRBIPBZMU-KBPBESRZSA-N 0 0 383.242 2.974 20 5 GFBDRN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000525574050 564703621 /nfs/dbraw/zinc/70/36/21/564703621.db2.gz MBEAXJRKYPNQID-UHFFFAOYSA-N 0 0 378.694 2.799 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000488289388 564709145 /nfs/dbraw/zinc/70/91/45/564709145.db2.gz FOBLBMCTUHBTSU-UHFFFAOYSA-N 0 0 380.275 2.961 20 5 GFBDRN COc1ccc(CC(=O)Nc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000525850513 564710809 /nfs/dbraw/zinc/71/08/09/564710809.db2.gz ZUHKBGYOQVZSPL-UHFFFAOYSA-N 0 0 380.198 2.672 20 5 GFBDRN C[C@H](NC(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000526018840 564716178 /nfs/dbraw/zinc/71/61/78/564716178.db2.gz IVVOSTQNCQWOOM-NSHDSACASA-N 0 0 382.825 2.899 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000488718702 564718097 /nfs/dbraw/zinc/71/80/97/564718097.db2.gz MQKXSPLUPUGUMS-LBPRGKRZSA-N 0 0 394.229 2.709 20 5 GFBDRN COCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000488813854 564720887 /nfs/dbraw/zinc/72/08/87/564720887.db2.gz IOTPWLPWIRKMSU-QMTHXVAHSA-N 0 0 387.230 2.623 20 5 GFBDRN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000527024239 564726563 /nfs/dbraw/zinc/72/65/63/564726563.db2.gz XSLIZNZIDQSZJW-UHFFFAOYSA-N 0 0 392.169 2.665 20 5 GFBDRN CSc1nnc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000527091437 564729867 /nfs/dbraw/zinc/72/98/67/564729867.db2.gz RDRLGSHDUPFKLN-ZETCQYMHSA-N 0 0 388.858 2.905 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CSc2ccc(Br)cc21 ZINC000489632035 564746810 /nfs/dbraw/zinc/74/68/10/564746810.db2.gz VBANFWKCBWFJHL-LBPRGKRZSA-N 0 0 397.254 2.907 20 5 GFBDRN C[C@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000490427735 564770750 /nfs/dbraw/zinc/77/07/50/564770750.db2.gz PLEXBOJDRYCTSW-NSHDSACASA-N 0 0 385.442 2.695 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC2(C1)CCOCC2 ZINC000490451064 564772346 /nfs/dbraw/zinc/77/23/46/564772346.db2.gz FCUJUFILBGQCRR-UHFFFAOYSA-N 0 0 381.237 2.703 20 5 GFBDRN COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000580795773 564773933 /nfs/dbraw/zinc/77/39/33/564773933.db2.gz AEAPPCDTROZSCW-LLVKDONJSA-N 0 0 376.843 2.976 20 5 GFBDRN CC(=O)Nc1nc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000460353958 564775140 /nfs/dbraw/zinc/77/51/40/564775140.db2.gz HZSPUPJJEBMHQL-CQSZACIVSA-N 0 0 378.435 2.898 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000460462462 564776171 /nfs/dbraw/zinc/77/61/71/564776171.db2.gz OVAYWEXUEYXKPU-ZDUSSCGKSA-N 0 0 383.857 2.598 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(Cl)cc1F)CCO2 ZINC000554964161 564779039 /nfs/dbraw/zinc/77/90/39/564779039.db2.gz LSMRUTQZFJPDPY-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000490857519 564783492 /nfs/dbraw/zinc/78/34/92/564783492.db2.gz JREHIYQFQVSQEO-BNOWGMLFSA-N 0 0 386.246 2.509 20 5 GFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2c(Br)ccc(Cl)c2C1 ZINC000555287423 564789004 /nfs/dbraw/zinc/78/90/04/564789004.db2.gz GMNXRDWKCWATEM-UHFFFAOYSA-N 0 0 385.605 2.932 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000555531762 564797177 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CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)C(=O)OC ZINC000463212813 564873059 /nfs/dbraw/zinc/87/30/59/564873059.db2.gz JVWCFNWVWGYZTC-SNVBAGLBSA-N 0 0 380.344 2.931 20 5 GFBDRN COC(=O)[C@@H](CCn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000583082977 564875855 /nfs/dbraw/zinc/87/58/55/564875855.db2.gz WCSZMYXIMPKPPY-ZDUSSCGKSA-N 0 0 395.209 2.866 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498044786 564885974 /nfs/dbraw/zinc/88/59/74/564885974.db2.gz HURHRTSJXVMAMD-GFCCVEGCSA-N 0 0 393.241 2.796 20 5 GFBDRN Cn1cc(Br)cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1=O ZINC000531437589 564910699 /nfs/dbraw/zinc/91/06/99/564910699.db2.gz SJATYNZXLWGMLR-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN Cn1c(C(=O)N2CCOc3ccc(Br)cc3C2)ccc1[N+](=O)[O-] ZINC000558946859 564918809 /nfs/dbraw/zinc/91/88/09/564918809.db2.gz DUTDTUWPJBTFQM-UHFFFAOYSA-N 0 0 380.198 2.731 20 5 GFBDRN O=C(CN1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464855997 564919833 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Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1I ZINC000500073508 564944659 /nfs/dbraw/zinc/94/46/59/564944659.db2.gz KPMGGCZWXOEYOC-UHFFFAOYSA-N 0 0 385.161 2.766 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000500138148 564946442 /nfs/dbraw/zinc/94/64/42/564946442.db2.gz JJFNEJJCMMZDSO-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN CN(CC(=O)NCc1ccccc1)c1c(Br)cncc1[N+](=O)[O-] ZINC000500264058 564949628 /nfs/dbraw/zinc/94/96/28/564949628.db2.gz YIFKFFXVMRYGFD-UHFFFAOYSA-N 0 0 379.214 2.505 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@H](CO)Cc1ccc(F)cc1 ZINC000500277666 564949666 /nfs/dbraw/zinc/94/96/66/564949666.db2.gz XWGHLMUXTTZTCD-LLVKDONJSA-N 0 0 384.205 2.576 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](OCc2ccccn2)C1 ZINC000500297432 564949681 /nfs/dbraw/zinc/94/96/81/564949681.db2.gz UMLXKLDYWCONBR-LBPRGKRZSA-N 0 0 379.214 2.943 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000466903055 564950308 /nfs/dbraw/zinc/95/03/08/564950308.db2.gz 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385.423 2.736 20 5 GFBDRN CCC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796203449 658902108 /nfs/dbraw/zinc/90/21/08/658902108.db2.gz OJFUDLCEMUTLAS-JTQLQIEISA-N 0 0 379.841 2.540 20 5 GFBDRN Cc1nn(C)c(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1C ZINC000796233261 658907763 /nfs/dbraw/zinc/90/77/63/658907763.db2.gz CLQXTDRHVWGNFO-UHFFFAOYSA-N 0 0 396.245 2.783 20 5 GFBDRN Cc1nc(SC(F)F)sc1CC(=O)OCCn1c(C)ncc1[N+](=O)[O-] ZINC000796657465 658929330 /nfs/dbraw/zinc/92/93/30/658929330.db2.gz PBOOIVGAQHBHON-UHFFFAOYSA-N 0 0 392.409 2.965 20 5 GFBDRN CC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000797638192 659039515 /nfs/dbraw/zinc/03/95/15/659039515.db2.gz ZXPQLUBWMWFGOR-LLVKDONJSA-N 0 0 399.245 2.737 20 5 GFBDRN CC1=C(Br)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000797778106 659050015 /nfs/dbraw/zinc/05/00/15/659050015.db2.gz XEVRDUNFAMWICP-UHFFFAOYSA-N 0 0 379.214 2.846 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC000798483756 659112878 /nfs/dbraw/zinc/11/28/78/659112878.db2.gz LRZHBMFHMKSGGK-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN Cc1cccc(C(=O)OCc2cc(Cl)cc(S(N)(=O)=O)c2)c1[N+](=O)[O-] ZINC000798561745 659117959 /nfs/dbraw/zinc/11/79/59/659117959.db2.gz MMTBKIBBXLZCAT-UHFFFAOYSA-N 0 0 384.797 2.561 20 5 GFBDRN C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000798644653 659131426 /nfs/dbraw/zinc/13/14/26/659131426.db2.gz SFPOWIQXYQIYNA-SSDOTTSWSA-N 0 0 389.145 2.724 20 5 GFBDRN CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000799831297 659234198 /nfs/dbraw/zinc/23/41/98/659234198.db2.gz CKORCRPSYQRDGS-JQWIXIFHSA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC=C(Br)C1 ZINC000799837792 659234908 /nfs/dbraw/zinc/23/49/08/659234908.db2.gz KDAKJQOCFNQYOC-UHFFFAOYSA-N 0 0 388.605 2.698 20 5 GFBDRN CO[C@@H]1CC[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000800027113 659258643 /nfs/dbraw/zinc/25/86/43/659258643.db2.gz IGTIQNWHBGWHBM-NXEZZACHSA-N 0 0 391.161 2.924 20 5 GFBDRN O=[N+]([O-])c1ccc(CNCCS(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000800310955 659300091 /nfs/dbraw/zinc/30/00/91/659300091.db2.gz BAICDPRSCIPAGQ-UHFFFAOYSA-N 0 0 382.869 2.995 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(N2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000801678004 659410874 /nfs/dbraw/zinc/41/08/74/659410874.db2.gz CMYMGLIBYUPWGN-UHFFFAOYSA-N 0 0 394.280 2.906 20 5 GFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CSC1(C)C ZINC000801714614 659418502 /nfs/dbraw/zinc/41/85/02/659418502.db2.gz USIURDDWZAZPQO-NSHDSACASA-N 0 0 395.300 2.838 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cccc(Br)c1 ZINC000802319169 659478440 /nfs/dbraw/zinc/47/84/40/659478440.db2.gz DICGSPMJUOVZCH-OAHLLOKOSA-N 0 0 379.210 2.750 20 5 GFBDRN COCCO[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000802629435 659490464 /nfs/dbraw/zinc/49/04/64/659490464.db2.gz CBDNLYSKQHOSFX-NSHDSACASA-N 0 0 387.230 2.625 20 5 GFBDRN C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cc(Br)cc2c1OCC2 ZINC000802940145 659529256 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O=[N+]([O-])c1cnn(CCNc2cc(Br)cnc2Br)c1 ZINC000804561747 659658111 /nfs/dbraw/zinc/65/81/11/659658111.db2.gz CELYTZIUZXUQHE-UHFFFAOYSA-N 0 0 391.023 2.823 20 5 GFBDRN CC(C)SCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805105279 659740003 /nfs/dbraw/zinc/74/00/03/659740003.db2.gz PSNLRTZVTGXKJU-UHFFFAOYSA-N 0 0 383.289 2.777 20 5 GFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCSC(C)C)c(C)c1[N+](=O)[O-] ZINC000805105515 659740191 /nfs/dbraw/zinc/74/01/91/659740191.db2.gz ZQSCFNWTKWEYAR-UHFFFAOYSA-N 0 0 377.444 2.540 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 ZINC000805398481 659772881 /nfs/dbraw/zinc/77/28/81/659772881.db2.gz OZWBKMVQGPYHOG-AAEUAGOBSA-N 0 0 386.495 2.745 20 5 GFBDRN O=C(COC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cscn1 ZINC000805540658 659797440 /nfs/dbraw/zinc/79/74/40/659797440.db2.gz GLRHSMAIRILLOC-UHFFFAOYSA-N 0 0 377.197 2.915 20 5 GFBDRN Cc1cc(Br)c(C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1Cl ZINC000805893954 659810231 /nfs/dbraw/zinc/81/02/31/659810231.db2.gz 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CCn1nc(C)c(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C ZINC000809814681 659941345 /nfs/dbraw/zinc/94/13/45/659941345.db2.gz XLJVIFNEFLFIIU-UHFFFAOYSA-N 0 0 390.824 2.699 20 5 GFBDRN Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809818456 659941970 /nfs/dbraw/zinc/94/19/70/659941970.db2.gz DFXHUXNKFQGOQV-CQSZACIVSA-N 0 0 388.804 2.708 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000809827226 659944972 /nfs/dbraw/zinc/94/49/72/659944972.db2.gz HMHSPLKAKSULLB-YGRLFVJLSA-N 0 0 394.852 2.997 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2ccc3c(c2)COC3)cc1Cl ZINC000809827392 659945031 /nfs/dbraw/zinc/94/50/31/659945031.db2.gz MXVMBMAUIGBHRV-UHFFFAOYSA-N 0 0 386.788 2.896 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)c2ccsc2)c(Cl)cc1Cl ZINC000809830504 659946031 /nfs/dbraw/zinc/94/60/31/659946031.db2.gz ZCVRQOZQNJPMEL-LLVKDONJSA-N 0 0 397.261 2.975 20 5 GFBDRN C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nccs1 ZINC000809831404 659946326 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20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC1CN(CC(F)F)C1 ZINC000810996800 659993357 /nfs/dbraw/zinc/99/33/57/659993357.db2.gz HSUUQVXVEGGTBD-UHFFFAOYSA-N 0 0 379.157 2.772 20 5 GFBDRN CS(=O)(=O)C1(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811083704 659998352 /nfs/dbraw/zinc/99/83/52/659998352.db2.gz PPXCNVAYARWNMK-UHFFFAOYSA-N 0 0 382.221 2.912 20 5 GFBDRN Cn1nnc2c1nccc2C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811085534 659998594 /nfs/dbraw/zinc/99/85/94/659998594.db2.gz QVJPMWAKSYHCCP-UHFFFAOYSA-N 0 0 382.163 2.935 20 5 GFBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811375060 660007061 /nfs/dbraw/zinc/00/70/61/660007061.db2.gz UHCFHYQKQOSXMV-UHFFFAOYSA-N 0 0 375.124 2.863 20 5 GFBDRN NC(=O)c1ccnc(NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000811839462 660016752 /nfs/dbraw/zinc/01/67/52/660016752.db2.gz ZVHFLOKPEFNONF-LBPRGKRZSA-N 0 0 385.207 2.931 20 5 GFBDRN CCOc1cc(Br)c(CC(=O)OC[C@@H](C)[N+](=O)[O-])cc1OCC ZINC000813102589 660043967 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2.765 20 5 GFBDRN O=C(OC/C=C/Br)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000813930972 660067866 /nfs/dbraw/zinc/06/78/66/660067866.db2.gz RTTAKDGXZQDUJE-YUWISIADSA-N 0 0 389.227 2.713 20 5 GFBDRN Cc1sc2nc(CS[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000814043683 660072010 /nfs/dbraw/zinc/07/20/10/660072010.db2.gz HCDVQYJKOQDWJL-OIBJUYFYSA-N 0 0 385.467 2.844 20 5 GFBDRN Cc1sc2nc(CS[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-])[nH]c(=O)c2c1C ZINC000814043682 660072040 /nfs/dbraw/zinc/07/20/40/660072040.db2.gz HCDVQYJKOQDWJL-GMSGAONNSA-N 0 0 385.467 2.844 20 5 GFBDRN C[C@H]1CCC[C@]1(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000814939005 660098802 /nfs/dbraw/zinc/09/88/02/660098802.db2.gz AQPCGZPXIFASSR-ZANVPECISA-N 0 0 382.360 2.851 20 5 GFBDRN CO[C@@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815042834 660106282 /nfs/dbraw/zinc/10/62/82/660106282.db2.gz PJSSZDPSNKEXFJ-AWEZNQCLSA-N 0 0 380.825 2.967 20 5 GFBDRN CCC[C@]1(CO)CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815048343 660107115 /nfs/dbraw/zinc/10/71/15/660107115.db2.gz VGVQMTSHLLPTMK-AWEZNQCLSA-N 0 0 380.825 2.561 20 5 GFBDRN COC(=O)Cc1cccc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000815057060 660108016 /nfs/dbraw/zinc/10/80/16/660108016.db2.gz HDFLNFWFDHZQDM-UHFFFAOYSA-N 0 0 385.781 2.731 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H](CO)C2CCCCC2)cc1Cl ZINC000815075400 660109749 /nfs/dbraw/zinc/10/97/49/660109749.db2.gz YZFCYWDPTUSIOP-NSHDSACASA-N 0 0 394.852 2.854 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cc(F)c(Cl)cc1C=O ZINC000815085650 660110600 /nfs/dbraw/zinc/11/06/00/660110600.db2.gz DAAVFUMAMKXIOS-UHFFFAOYSA-N 0 0 389.744 2.976 20 5 GFBDRN O=C1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCN1 ZINC000815678725 660128212 /nfs/dbraw/zinc/12/82/12/660128212.db2.gz NAWGXBKYNLZKRH-SECBINFHSA-N 0 0 395.213 2.715 20 5 GFBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCc1c(Br)nnn1C ZINC000816146325 660146503 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ZINC000845973776 661513871 /nfs/dbraw/zinc/51/38/71/661513871.db2.gz CXQOZOOBSJCFMV-QWHCGFSZSA-N 0 0 384.788 2.726 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@](C)(O)c1ccccc1 ZINC000845982398 661517475 /nfs/dbraw/zinc/51/74/75/661517475.db2.gz UUGXPFPWTCSIDW-BZNIZROVSA-N 0 0 384.841 2.823 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000845983188 661518049 /nfs/dbraw/zinc/51/80/49/661518049.db2.gz WNFOGYJAUYPJFO-NXEZZACHSA-N 0 0 393.259 2.545 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1 ZINC000846044185 661526737 /nfs/dbraw/zinc/52/67/37/661526737.db2.gz FHUWRHXLWWXZMY-NSHDSACASA-N 0 0 397.197 2.777 20 5 GFBDRN CCO[N-]C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000846088963 661531979 /nfs/dbraw/zinc/53/19/79/661531979.db2.gz NFAYURLLPMGLND-UHFFFAOYSA-N 0 0 398.213 2.775 20 5 GFBDRN COC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000846659953 661561048 /nfs/dbraw/zinc/56/10/48/661561048.db2.gz 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Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC(C)(C)C1 ZINC000849412090 661718597 /nfs/dbraw/zinc/71/85/97/661718597.db2.gz FJJMTVMTZUCIRO-SECBINFHSA-N 0 0 393.259 2.512 20 5 GFBDRN C[C@@H]1COC2(CCC2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849439464 661724691 /nfs/dbraw/zinc/72/46/91/661724691.db2.gz YSDSAHODFYIAOP-SECBINFHSA-N 0 0 378.809 2.719 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@](O)(C3CC3)C2)c(Cl)cc1Cl ZINC000849453069 661728171 /nfs/dbraw/zinc/72/81/71/661728171.db2.gz ZJGWIQTYPVLZCD-CQSZACIVSA-N 0 0 395.264 2.827 20 5 GFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[C@H]2C1 ZINC000851819024 661834557 /nfs/dbraw/zinc/83/45/57/661834557.db2.gz OFIKWUJLAJCIFP-UWVGGRQHSA-N 0 0 375.244 2.696 20 5 GFBDRN O=C(CN1CCO[C@@H](CC(F)(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852741864 661873145 /nfs/dbraw/zinc/87/31/45/661873145.db2.gz LLBWVZAANWAHMX-JTQLQIEISA-N 0 0 381.738 2.840 20 5 GFBDRN Cc1cc2ncn(C[C@H](O)Cn3cc([N+](=O)[O-])nc3Br)c2cc1C ZINC000853064914 661880245 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GFBDRN COc1c(Br)c([N+](=O)[O-])c(NCCOCCF)cc1[N+](=O)[O-] ZINC000853996561 661910844 /nfs/dbraw/zinc/91/08/44/661910844.db2.gz YLHWUAGXTCWTCQ-UHFFFAOYSA-N 0 0 382.142 2.672 20 5 GFBDRN Cc1c(NC(=O)N2CCn3ncc(Br)c3C2)cccc1[N+](=O)[O-] ZINC000854185967 661918347 /nfs/dbraw/zinc/91/83/47/661918347.db2.gz CKFIEISIRIMNQM-UHFFFAOYSA-N 0 0 380.202 2.910 20 5 GFBDRN Cc1nnc(CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)s1 ZINC000854938940 661962024 /nfs/dbraw/zinc/96/20/24/661962024.db2.gz VAOGMEQMXPVFHH-GFCCVEGCSA-N 0 0 378.307 2.856 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC2(F)F)cc1Br ZINC000856747189 662040889 /nfs/dbraw/zinc/04/08/89/662040889.db2.gz KTDFDEVGTVBLKO-ZETCQYMHSA-N 0 0 385.186 2.681 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857720701 662088853 /nfs/dbraw/zinc/08/88/53/662088853.db2.gz XDXXOESBTWRFKN-UHFFFAOYSA-N 0 0 395.213 2.953 20 5 GFBDRN Cc1cc(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc(Cl)n1 ZINC000858593737 662115677 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O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884952771 663079409 /nfs/dbraw/zinc/07/94/09/663079409.db2.gz QVNCKVCTBRAQEQ-MNOVXSKESA-N 0 0 394.280 2.807 20 5 GFBDRN CC1(C)O[C@@H]2C[C@@H](NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]2O1 ZINC000885202029 663086013 /nfs/dbraw/zinc/08/60/13/663086013.db2.gz OGCFPDPBCKHGAQ-UOJUARBOSA-N 0 0 385.214 2.770 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)c(Cl)cc1Cl ZINC000885612706 663093417 /nfs/dbraw/zinc/09/34/17/663093417.db2.gz FLFGYOCPPODATP-OCAPTIKFSA-N 0 0 383.278 2.885 20 5 GFBDRN CO[C@@]1(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CCSC1 ZINC000885754908 663097832 /nfs/dbraw/zinc/09/78/32/663097832.db2.gz AKOAMNNCXLIUCE-ZDUSSCGKSA-N 0 0 376.228 2.923 20 5 GFBDRN O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cc([N+](=O)[O-])ncc1Br ZINC000886053718 663102846 /nfs/dbraw/zinc/10/28/46/663102846.db2.gz NPCRYTBCCCEMDH-JTQLQIEISA-N 0 0 384.230 2.974 20 5 GFBDRN C[C@H](CNC(=O)Cc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000887399444 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563848878 /nfs/dbraw/zinc/84/88/78/563848878.db2.gz YHXAAYJTMBVFIO-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc(Br)cc2F)no1 ZINC000445444385 563848884 /nfs/dbraw/zinc/84/88/84/563848884.db2.gz JDWIIBVXTDNPDJ-UHFFFAOYSA-N 0 0 395.144 2.756 20 5 GFBDRN Cc1cc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc(C)c1Br ZINC000445567966 563850802 /nfs/dbraw/zinc/85/08/02/563850802.db2.gz IXRFJBIYRUVJIV-UHFFFAOYSA-N 0 0 379.174 2.664 20 5 GFBDRN COc1ccc(Br)c(Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)c1 ZINC000445578062 563850845 /nfs/dbraw/zinc/85/08/45/563850845.db2.gz BMCCLBDUBVVKAT-UHFFFAOYSA-N 0 0 394.185 2.740 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2ccc(Br)c(F)c2)n1 ZINC000445576276 563850965 /nfs/dbraw/zinc/85/09/65/563850965.db2.gz JCYRZQJXNNHZIM-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000416597917 563851315 /nfs/dbraw/zinc/85/13/15/563851315.db2.gz GLMQXWVTPMNNMI-BBBLOLIVSA-N 0 0 382.360 2.705 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2.503 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000567656527 564381404 /nfs/dbraw/zinc/38/14/04/564381404.db2.gz CUCZKGZGRJXYAO-UHFFFAOYSA-N 0 0 392.213 2.807 20 5 GFBDRN COCCCn1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000511851503 564384132 /nfs/dbraw/zinc/38/41/32/564384132.db2.gz HSCMSVAHWIBZEO-UHFFFAOYSA-N 0 0 385.833 2.607 20 5 GFBDRN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452061889 564387769 /nfs/dbraw/zinc/38/77/69/564387769.db2.gz QOGVQQVTFCLMHY-ZYHUDNBSSA-N 0 0 393.259 2.593 20 5 GFBDRN COC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000452083381 564389506 /nfs/dbraw/zinc/38/95/06/564389506.db2.gz LJTWFEGIMUDPMM-LBPRGKRZSA-N 0 0 376.862 2.994 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1ccc2c(c1)CCO2 ZINC000512180888 564394367 /nfs/dbraw/zinc/39/43/67/564394367.db2.gz MCARPSLYEXMZSH-UHFFFAOYSA-N 0 0 382.825 2.704 20 5 GFBDRN NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000512448825 564402263 /nfs/dbraw/zinc/40/22/63/564402263.db2.gz YIOFPJOVBBHUHL-AWEZNQCLSA-N 0 0 392.209 2.704 20 5 GFBDRN COCCO[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000512790947 564411561 /nfs/dbraw/zinc/41/15/61/564411561.db2.gz VSVPCMAHMLCLKQ-CQSZACIVSA-N 0 0 387.230 2.625 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(NCCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000513070220 564420215 /nfs/dbraw/zinc/42/02/15/564420215.db2.gz QPBFNJPMMGKQFY-UHFFFAOYSA-N 0 0 384.845 2.732 20 5 GFBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)ccc1I ZINC000545961068 564439253 /nfs/dbraw/zinc/43/92/53/564439253.db2.gz SAMZIFUTGDECDG-UHFFFAOYSA-N 0 0 399.188 2.776 20 5 GFBDRN CCO[C@@H]1COCC[C@@H]1Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000546053319 564442239 /nfs/dbraw/zinc/44/22/39/564442239.db2.gz LKKXJSFHAHJUJA-DZGCQCFKSA-N 0 0 396.241 2.933 20 5 GFBDRN COCCC(C)(C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000546075974 564443905 /nfs/dbraw/zinc/44/39/05/564443905.db2.gz MNGVWEDNSOSIHN-UHFFFAOYSA-N 0 0 395.275 2.759 20 5 GFBDRN CN(C(=O)[C@@H]1COc2ccc(Br)cc21)c1ccc([N+](=O)[O-])nc1 ZINC000569049267 564446527 /nfs/dbraw/zinc/44/65/27/564446527.db2.gz PJVPYXFWIFXLKI-GFCCVEGCSA-N 0 0 378.182 2.891 20 5 GFBDRN Cc1cc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000479818086 564451241 /nfs/dbraw/zinc/45/12/41/564451241.db2.gz MEANSHTUKUZSOP-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN Cc1ccoc1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000514619296 564451920 /nfs/dbraw/zinc/45/19/20/564451920.db2.gz CWYQVQAZXVHDOS-UHFFFAOYSA-N 0 0 382.170 2.514 20 5 GFBDRN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc([N+](=O)[O-])n[nH]1 ZINC000514784850 564457553 /nfs/dbraw/zinc/45/75/53/564457553.db2.gz JWUGSMKEJXXHPV-UHFFFAOYSA-N 0 0 378.186 2.534 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000480008113 564457692 /nfs/dbraw/zinc/45/76/92/564457692.db2.gz UZIAHBPZVZCOFZ-UHFFFAOYSA-N 0 0 388.211 2.618 20 5 GFBDRN O=[N+]([O-])c1cnn(CCc2nc(Cc3ccc(Br)c(F)c3)no2)c1 ZINC000546560589 564458879 /nfs/dbraw/zinc/45/88/79/564458879.db2.gz SSLPUJVUJCDSJD-UHFFFAOYSA-N 0 0 396.176 2.909 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000569487553 564465636 /nfs/dbraw/zinc/46/56/36/564465636.db2.gz MBFYNRCZRHOFHC-GFCCVEGCSA-N 0 0 398.257 2.795 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480299776 564467819 /nfs/dbraw/zinc/46/78/19/564467819.db2.gz FNYWJQXJMULKQV-ONGXEEELSA-N 0 0 381.376 2.670 20 5 GFBDRN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000480498417 564475844 /nfs/dbraw/zinc/47/58/44/564475844.db2.gz WNBCAAZHWQNQAG-NWDGAFQWSA-N 0 0 387.230 2.904 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(S(C)(=O)=O)s1 ZINC000569875911 564482053 /nfs/dbraw/zinc/48/20/53/564482053.db2.gz JLYOSZPVIUUUKD-UHFFFAOYSA-N 0 0 384.435 2.767 20 5 GFBDRN CCn1ncnc1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000480848824 564490842 /nfs/dbraw/zinc/49/08/42/564490842.db2.gz TVJSXSOTSIDYKD-UHFFFAOYSA-N 0 0 377.202 2.551 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(N[C@@H]3C[C@H]3c3ccc(Br)s3)nn21 ZINC000480854745 564491269 /nfs/dbraw/zinc/49/12/69/564491269.db2.gz FENLIEQQYCQKKD-HTQZYQBOSA-N 0 0 380.227 2.851 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H](CO)C1CCOCC1 ZINC000481091598 564503199 /nfs/dbraw/zinc/50/31/99/564503199.db2.gz KCFDAOVMDHMJNW-CQSZACIVSA-N 0 0 396.241 2.527 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000481550226 564515763 /nfs/dbraw/zinc/51/57/63/564515763.db2.gz ZIXDOWGZNXKAOV-UHFFFAOYSA-N 0 0 376.423 2.724 20 5 GFBDRN CSCC[C@@H](CO)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000481844744 564525825 /nfs/dbraw/zinc/52/58/25/564525825.db2.gz VORZXFAMXBTFMK-JTQLQIEISA-N 0 0 386.271 2.853 20 5 GFBDRN Nc1nccc(C(=O)Nc2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000548058150 564529206 /nfs/dbraw/zinc/52/92/06/564529206.db2.gz GHGGPNYAQPAMEY-UHFFFAOYSA-N 0 0 394.463 2.860 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C(F)(F)F)n1 ZINC000548057769 564529564 /nfs/dbraw/zinc/52/95/64/564529564.db2.gz UNRCERZABGTYDK-ZETCQYMHSA-N 0 0 376.316 2.794 20 5 GFBDRN COC(=O)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000518068574 564546146 /nfs/dbraw/zinc/54/61/46/564546146.db2.gz QCTFTBRNUVKPIN-LBPRGKRZSA-N 0 0 387.230 2.985 20 5 GFBDRN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518200528 564547532 /nfs/dbraw/zinc/54/75/32/564547532.db2.gz QNGOQLOFYZIVOF-ONGXEEELSA-N 0 0 393.259 2.545 20 5 GFBDRN CN(Cc1ccc(F)cc1Br)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000482755416 564549101 /nfs/dbraw/zinc/54/91/01/564549101.db2.gz CIODZBRFTUWZET-UHFFFAOYSA-N 0 0 385.193 2.742 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@@](O)(C(F)F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455354846 564550212 /nfs/dbraw/zinc/55/02/12/564550212.db2.gz MPQLREACZQZVDY-ZDUSSCGKSA-N 0 0 394.172 2.900 20 5 GFBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548387682 564551309 /nfs/dbraw/zinc/55/13/09/564551309.db2.gz WFFUSMVDFUVXCE-SECBINFHSA-N 0 0 379.214 2.526 20 5 GFBDRN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482995245 564555258 /nfs/dbraw/zinc/55/52/58/564555258.db2.gz XEJQWSXFMWAWGP-SECBINFHSA-N 0 0 379.214 2.702 20 5 GFBDRN COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1Br ZINC000548618575 564567327 /nfs/dbraw/zinc/56/73/27/564567327.db2.gz BSDCSHQFVREIMC-UHFFFAOYSA-N 0 0 384.186 2.965 20 5 GFBDRN CCC1(CC)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCS1 ZINC000456071475 564587110 /nfs/dbraw/zinc/58/71/10/564587110.db2.gz RYFGHYIRVOKRGQ-UHFFFAOYSA-N 0 0 386.495 2.746 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000456184602 564592667 /nfs/dbraw/zinc/59/26/67/564592667.db2.gz FNOIYJLRBOZMBQ-TZMCWYRMSA-N 0 0 386.495 2.501 20 5 GFBDRN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000572670278 564604241 /nfs/dbraw/zinc/60/42/41/564604241.db2.gz FDPJBVLEOXARGQ-UHFFFAOYSA-N 0 0 376.419 2.541 20 5 GFBDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c2nccn21 ZINC000456437961 564607191 /nfs/dbraw/zinc/60/71/91/564607191.db2.gz XHLYRDGTXLYABW-NOZJJQNGSA-N 0 0 379.214 2.919 20 5 GFBDRN Cc1cccc(C(=O)NCCNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000485199892 564609688 /nfs/dbraw/zinc/60/96/88/564609688.db2.gz SHGPPBBCKISLAY-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])n1 ZINC000572783854 564610160 /nfs/dbraw/zinc/61/01/60/564610160.db2.gz FTQOZMGNZYEPPN-QMMMGPOBSA-N 0 0 376.797 2.643 20 5 GFBDRN CC(C)N1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000521080550 564619035 /nfs/dbraw/zinc/61/90/35/564619035.db2.gz YNLGFMNWEAZHJO-LLVKDONJSA-N 0 0 393.241 2.749 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456717731 564628826 /nfs/dbraw/zinc/62/88/26/564628826.db2.gz XPKXONUFWPGVPW-WRWORJQWSA-N 0 0 397.147 2.743 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cncnc1N(C)C ZINC000551296905 564645847 /nfs/dbraw/zinc/64/58/47/564645847.db2.gz XZFHHNBXABYWSJ-UHFFFAOYSA-N 0 0 380.202 2.774 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3nn(C)cc3Br)n2)c1 ZINC000551415660 564648930 /nfs/dbraw/zinc/64/89/30/564648930.db2.gz LFADZJLZONSGTL-UHFFFAOYSA-N 0 0 394.185 2.740 20 5 GFBDRN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ncc(Br)cn1 ZINC000486486714 564653909 /nfs/dbraw/zinc/65/39/09/564653909.db2.gz JBBINFHAUJVOMG-ZETCQYMHSA-N 0 0 391.185 2.515 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000457286088 564654419 /nfs/dbraw/zinc/65/44/19/564654419.db2.gz TXFVDPXBSJITHI-YPMHNXCESA-N 0 0 396.241 2.549 20 5 GFBDRN Cc1cc(OCC(=O)N[C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000486507704 564654973 /nfs/dbraw/zinc/65/49/73/564654973.db2.gz QPLFIOFTBBNFHB-JTQLQIEISA-N 0 0 395.213 2.712 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ncc(Br)cn2)c1 ZINC000486643885 564661199 /nfs/dbraw/zinc/66/11/99/564661199.db2.gz INKDHPTXOREDGM-MRVPVSSYSA-N 0 0 381.186 2.647 20 5 GFBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000486669595 564662169 /nfs/dbraw/zinc/66/21/69/564662169.db2.gz AAKRYQSKUSBWGX-VIFPVBQESA-N 0 0 386.246 2.733 20 5 GFBDRN O=C(N[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC000457827223 564674881 /nfs/dbraw/zinc/67/48/81/564674881.db2.gz HVZIGXREZNVQRA-MFKMUULPSA-N 0 0 382.170 2.605 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)c3ncccc32)cc1[N+](=O)[O-] ZINC000487098699 564675718 /nfs/dbraw/zinc/67/57/18/564675718.db2.gz SKFUVYBGLSHGRB-UHFFFAOYSA-N 0 0 382.829 2.597 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000574665139 564683328 /nfs/dbraw/zinc/68/33/28/564683328.db2.gz QPQTXRYUASMLMZ-SWLSCSKDSA-N 0 0 386.857 2.746 20 5 GFBDRN C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)Oc1ccccc1Cl ZINC000525191727 564695156 /nfs/dbraw/zinc/69/51/56/564695156.db2.gz YVLMINRUIPMARJ-SNVBAGLBSA-N 0 0 385.829 2.775 20 5 GFBDRN C[C@H](CN([C@@H](C)CO)S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000575771725 564703929 /nfs/dbraw/zinc/70/39/29/564703929.db2.gz JZERRSBGLASUQK-OLZOCXBDSA-N 0 0 384.479 2.832 20 5 GFBDRN O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000488107542 564704768 /nfs/dbraw/zinc/70/47/68/564704768.db2.gz UUNPACFFOAGDRK-LLVKDONJSA-N 0 0 381.410 2.949 20 5 GFBDRN COc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc(OC)c1OC ZINC000525702216 564706110 /nfs/dbraw/zinc/70/61/10/564706110.db2.gz YKLALYCYLYMHPV-UHFFFAOYSA-N 0 0 388.423 2.507 20 5 GFBDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000488182831 564706703 /nfs/dbraw/zinc/70/67/03/564706703.db2.gz MRRQJRNRQRVMQD-LMKMVOKYSA-N 0 0 382.873 2.770 20 5 GFBDRN CSc1nnc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000525850397 564711029 /nfs/dbraw/zinc/71/10/29/564711029.db2.gz ZORLCQOEEYTCJF-UHFFFAOYSA-N 0 0 389.256 2.861 20 5 GFBDRN CCOc1ccc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)cc1Cl ZINC000553250142 564713544 /nfs/dbraw/zinc/71/35/44/564713544.db2.gz OHOJZCRWQXSLFF-UHFFFAOYSA-N 0 0 385.829 2.906 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(c3ccc(Br)cc3)C2=O)n1 ZINC000488716824 564718174 /nfs/dbraw/zinc/71/81/74/564718174.db2.gz RNNZEGNYIWOYKH-LBPRGKRZSA-N 0 0 377.198 2.888 20 5 GFBDRN Cc1cc(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)ncc1[N+](=O)[O-] ZINC000488727187 564718685 /nfs/dbraw/zinc/71/86/85/564718685.db2.gz WELDLDMMDYWUBV-GFCCVEGCSA-N 0 0 377.198 2.888 20 5 GFBDRN COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000488878213 564723588 /nfs/dbraw/zinc/72/35/88/564723588.db2.gz LICOVFYMJDURSM-GXFFZTMASA-N 0 0 387.230 2.623 20 5 GFBDRN O=C(CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(I)cc1 ZINC000553560198 564726825 /nfs/dbraw/zinc/72/68/25/564726825.db2.gz ZECADCDEQKDFEI-UHFFFAOYSA-N 0 0 398.160 2.645 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000553570104 564727609 /nfs/dbraw/zinc/72/76/09/564727609.db2.gz JZGIWGUOPMSNBD-HNNXBMFYSA-N 0 0 384.841 2.959 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000577882028 564738176 /nfs/dbraw/zinc/73/81/76/564738176.db2.gz JIKZQMKGVVZTSP-CQSZACIVSA-N 0 0 384.841 2.959 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H]2CSc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000489658206 564747191 /nfs/dbraw/zinc/74/71/91/564747191.db2.gz SAPDQEGDAPMSFX-JTQLQIEISA-N 0 0 397.254 2.976 20 5 GFBDRN COCC1(C)CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459624848 564753565 /nfs/dbraw/zinc/75/35/65/564753565.db2.gz VJCYMECJSATAAE-UHFFFAOYSA-N 0 0 376.194 2.668 20 5 GFBDRN CC(C)CN(CC(F)(F)F)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000459993175 564768208 /nfs/dbraw/zinc/76/82/08/564768208.db2.gz RUSUNEATKFCRMS-UHFFFAOYSA-N 0 0 382.360 2.659 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](CO)c1cccnc1 ZINC000490393143 564768855 /nfs/dbraw/zinc/76/88/55/564768855.db2.gz FVMRQIJGPQNKJT-GFCCVEGCSA-N 0 0 381.841 2.628 20 5 GFBDRN Nc1c(C(=O)Nc2cnc3c(Br)cccn23)cc(F)cc1[N+](=O)[O-] ZINC000580913847 564779575 /nfs/dbraw/zinc/77/95/75/564779575.db2.gz LYKSGICKGKZUBO-UHFFFAOYSA-N 0 0 394.160 2.979 20 5 GFBDRN CCC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000491651860 564795361 /nfs/dbraw/zinc/79/53/61/564795361.db2.gz DAGPEPWLYXOZJZ-LBPRGKRZSA-N 0 0 384.380 2.697 20 5 GFBDRN CCc1cc(Br)ccc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000492422019 564801517 /nfs/dbraw/zinc/80/15/17/564801517.db2.gz YGPBPSMWCBCMHL-UHFFFAOYSA-N 0 0 380.198 2.720 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1csc([N+](=O)[O-])c1 ZINC000461652225 564802175 /nfs/dbraw/zinc/80/21/75/564802175.db2.gz ZCPYDSULQVVSNH-UHFFFAOYSA-N 0 0 382.199 2.620 20 5 GFBDRN Cc1cc(NC2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461728818 564803038 /nfs/dbraw/zinc/80/30/38/564803038.db2.gz KXNXUSNABMSDFE-UHFFFAOYSA-N 0 0 381.376 2.758 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](CO)CC1CCCC1 ZINC000461797988 564806089 /nfs/dbraw/zinc/80/60/89/564806089.db2.gz SSDNLEAUSBUUIY-LBPRGKRZSA-N 0 0 376.862 2.715 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000581565998 564808001 /nfs/dbraw/zinc/80/80/01/564808001.db2.gz QLIQQZAGUVMADS-BDAKNGLRSA-N 0 0 381.223 2.835 20 5 GFBDRN O=C(NCCCn1cc(Br)cn1)Nc1ccc([N+](=O)[O-])cc1F ZINC000581907397 564822824 /nfs/dbraw/zinc/82/28/24/564822824.db2.gz NHCPQLRUDNKCCM-UHFFFAOYSA-N 0 0 386.181 2.905 20 5 GFBDRN CC1(C)CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)O1 ZINC000494369135 564826285 /nfs/dbraw/zinc/82/62/85/564826285.db2.gz NUFYSVDXNPVGKD-JTQLQIEISA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(CNC(=O)c1ccsc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556467413 564827120 /nfs/dbraw/zinc/82/71/20/564827120.db2.gz IPNKRRGLDDYIKW-UHFFFAOYSA-N 0 0 384.211 2.787 20 5 GFBDRN CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556520712 564828881 /nfs/dbraw/zinc/82/88/81/564828881.db2.gz SKCCPUKRPOXSDY-UHFFFAOYSA-N 0 0 392.209 2.954 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1CCCS(=O)(=O)C1 ZINC000556783074 564839643 /nfs/dbraw/zinc/83/96/43/564839643.db2.gz COQMQILRCAQOQH-JTQLQIEISA-N 0 0 378.244 2.869 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000462473541 564842753 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CC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000498481074 564899456 /nfs/dbraw/zinc/89/94/56/564899456.db2.gz BNURXDYDZMXCPS-CMPLNLGQSA-N 0 0 383.754 2.792 20 5 GFBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000583633624 564900753 /nfs/dbraw/zinc/90/07/53/564900753.db2.gz OYJWNDSVXFINIX-UHFFFAOYSA-N 0 0 383.451 2.803 20 5 GFBDRN CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](O)C(F)(F)F ZINC000498575378 564902821 /nfs/dbraw/zinc/90/28/21/564902821.db2.gz IYWCEHLSEPOSDA-JQWIXIFHSA-N 0 0 399.163 2.718 20 5 GFBDRN Cn1ncc2c1CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000583858509 564909737 /nfs/dbraw/zinc/90/97/37/564909737.db2.gz RQDAOQMECZHEBR-UHFFFAOYSA-N 0 0 379.214 2.679 20 5 GFBDRN CN(CC(F)F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000498926576 564912957 /nfs/dbraw/zinc/91/29/57/564912957.db2.gz COIKWGULCIYFRC-UHFFFAOYSA-N 0 0 377.413 2.861 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCc1nc(CO)cs1 ZINC000558940088 564918585 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C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122119 564955641 /nfs/dbraw/zinc/95/56/41/564955641.db2.gz IDAMJNDLYOKFPT-JTQLQIEISA-N 0 0 378.435 2.509 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCN(C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000467403380 564962658 /nfs/dbraw/zinc/96/26/58/564962658.db2.gz HTPFGISEIMGWCR-UHFFFAOYSA-N 0 0 387.527 2.850 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000467421619 564963512 /nfs/dbraw/zinc/96/35/12/564963512.db2.gz WHJNUNQQTWPBID-AWEZNQCLSA-N 0 0 386.426 2.866 20 5 GFBDRN NC(=O)[C@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501081933 564970243 /nfs/dbraw/zinc/97/02/43/564970243.db2.gz BMZLSLJOYYOJFR-WPRPVWTQSA-N 0 0 385.218 2.523 20 5 GFBDRN COCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000501109343 564970903 /nfs/dbraw/zinc/97/09/03/564970903.db2.gz SKZNISHVLJXLKW-LBPRGKRZSA-N 0 0 388.218 2.627 20 5 GFBDRN CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533819388 564973506 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CN(C(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1nc2ccccc2s1 ZINC000502855125 565007858 /nfs/dbraw/zinc/00/78/58/565007858.db2.gz JIGVMFWVMONWRP-UHFFFAOYSA-N 0 0 396.226 2.827 20 5 GFBDRN Nc1nc(NCCc2csc(-c3ccc(Cl)cc3)n2)ncc1[N+](=O)[O-] ZINC000535360953 565011554 /nfs/dbraw/zinc/01/15/54/565011554.db2.gz VDHYSXXCRBFGKA-UHFFFAOYSA-N 0 0 376.829 2.651 20 5 GFBDRN O=c1c(F)cc(Br)cn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562041020 565015919 /nfs/dbraw/zinc/01/59/19/565015919.db2.gz DVANACUAPYZAFY-UHFFFAOYSA-N 0 0 385.145 2.573 20 5 GFBDRN COc1cc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)ncc1Br ZINC000535712759 565018715 /nfs/dbraw/zinc/01/87/15/565018715.db2.gz DZQCICPJCNWDPO-UHFFFAOYSA-N 0 0 398.217 2.603 20 5 GFBDRN C[C@@H](C(=O)Nc1ccncc1I)c1cccc([N+](=O)[O-])c1 ZINC000562401877 565028156 /nfs/dbraw/zinc/02/81/56/565028156.db2.gz BCUKKQYUBUZYTP-SECBINFHSA-N 0 0 397.172 2.759 20 5 GFBDRN COc1ccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1 ZINC000470160888 565039919 /nfs/dbraw/zinc/03/99/19/565039919.db2.gz IREGFZKGFKQCMW-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)sc1C ZINC000536897295 565049294 /nfs/dbraw/zinc/04/92/94/565049294.db2.gz SHGHWJJFPGZIPA-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000586811100 565118734 /nfs/dbraw/zinc/11/87/34/565118734.db2.gz WPONWYCFVRZSSL-VIFPVBQESA-N 0 0 379.157 2.508 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000614573240 565120785 /nfs/dbraw/zinc/12/07/85/565120785.db2.gz RAZWLALMDZVFEO-JOYOIKCWSA-N 0 0 375.244 2.920 20 5 GFBDRN Cc1cc(N2C[C@@H](N3CCOCC3)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000588070174 565124961 /nfs/dbraw/zinc/12/49/61/565124961.db2.gz IQBOYJVAHPPOQF-STQMWFEESA-N 0 0 384.274 2.965 20 5 GFBDRN NS(=O)(=O)c1ccccc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000588848489 565142009 /nfs/dbraw/zinc/14/20/09/565142009.db2.gz SJMFVQNQUNXZQT-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C2CC2)C1 ZINC000589724592 565170748 /nfs/dbraw/zinc/17/07/48/565170748.db2.gz LWQQBDAMNGTOJT-UHFFFAOYSA-N 0 0 386.189 2.990 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000590838945 565206361 /nfs/dbraw/zinc/20/63/61/565206361.db2.gz FXVFNTAAWRSQHJ-UHFFFAOYSA-N 0 0 380.447 2.648 20 5 GFBDRN O=C1CCCN1[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000591198312 565218733 /nfs/dbraw/zinc/21/87/33/565218733.db2.gz GAKBMVHKQSCUMQ-LLVKDONJSA-N 0 0 383.246 2.734 20 5 GFBDRN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)C(F)(F)F ZINC000591784258 565240393 /nfs/dbraw/zinc/24/03/93/565240393.db2.gz HESUERLNOAVAKB-CPCISQLKSA-N 0 0 375.328 2.760 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC1CC(F)(F)C1 ZINC000617486680 565242543 /nfs/dbraw/zinc/24/25/43/565242543.db2.gz AKOBZKVLGUOEFP-UHFFFAOYSA-N 0 0 375.397 2.979 20 5 GFBDRN COc1ncc(S(=O)(=O)N2CCCc3c([N+](=O)[O-])cccc32)cc1Cl ZINC000592039296 565249736 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000593591961 565346567 /nfs/dbraw/zinc/34/65/67/565346567.db2.gz QFNHKZZYLKWESR-LLVKDONJSA-N 0 0 379.360 2.733 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000593638870 565350495 /nfs/dbraw/zinc/35/04/95/565350495.db2.gz OKKGSWQMPBOKPF-LLVKDONJSA-N 0 0 381.841 2.994 20 5 GFBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000619587441 565351039 /nfs/dbraw/zinc/35/10/39/565351039.db2.gz DQRRSEQANQZLQD-QWHCGFSZSA-N 0 0 392.275 2.630 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C(F)F)C1 ZINC000619776459 565358406 /nfs/dbraw/zinc/35/84/06/565358406.db2.gz RBZVZNOEYPGUPA-UHFFFAOYSA-N 0 0 396.131 2.845 20 5 GFBDRN CCN(c1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594467031 565391494 /nfs/dbraw/zinc/39/14/94/565391494.db2.gz VGKZWSDQVQLFPP-UHFFFAOYSA-N 0 0 378.332 2.562 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1Cl ZINC000594469400 565392629 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383.253 2.541 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000595415785 565475452 /nfs/dbraw/zinc/47/54/52/565475452.db2.gz NXUUWWFSJXZBTM-XHDPSFHLSA-N 0 0 378.397 2.645 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595827436 565491883 /nfs/dbraw/zinc/49/18/83/565491883.db2.gz QACPYVAAUVTPCV-NWDGAFQWSA-N 0 0 388.205 2.668 20 5 GFBDRN O=C(c1ccco1)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596056409 565510523 /nfs/dbraw/zinc/51/05/23/565510523.db2.gz YUGDXMWKLAVJBG-UHFFFAOYSA-N 0 0 380.198 2.913 20 5 GFBDRN CC1(C)CCN(c2c(Br)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000596214295 565515228 /nfs/dbraw/zinc/51/52/28/565515228.db2.gz RYBIEDBBEHXQAJ-UHFFFAOYSA-N 0 0 377.260 2.761 20 5 GFBDRN CC[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000596243018 565516714 /nfs/dbraw/zinc/51/67/14/565516714.db2.gz JDDNHNYCYCSHOA-NXEZZACHSA-N 0 0 377.260 2.759 20 5 GFBDRN Cc1nn(C)c(NCCc2ccc(I)cc2)c1[N+](=O)[O-] ZINC000596526483 565526133 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Cc1cc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601429356 565784402 /nfs/dbraw/zinc/78/44/02/565784402.db2.gz JNGZGPATIPNDBW-OLZOCXBDSA-N 0 0 386.495 2.935 20 5 GFBDRN COC(=O)[C@@]1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000601708029 565799893 /nfs/dbraw/zinc/79/98/93/565799893.db2.gz SSQKVVKFKRMPRI-VFZGTOFNSA-N 0 0 385.214 2.629 20 5 GFBDRN Nc1nc(N2CCc3[nH]c4ccc(Br)cc4c3C2)ncc1[N+](=O)[O-] ZINC000603849934 565916801 /nfs/dbraw/zinc/91/68/01/565916801.db2.gz PQRWRVSXAOMYDV-UHFFFAOYSA-N 0 0 389.213 2.604 20 5 GFBDRN COc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1OC ZINC000604341086 565927426 /nfs/dbraw/zinc/92/74/26/565927426.db2.gz ZBSAWEQXDQUVFL-UHFFFAOYSA-N 0 0 384.186 2.965 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000604468612 565929525 /nfs/dbraw/zinc/92/95/25/565929525.db2.gz FHKULCWKLPZRLZ-UHFFFAOYSA-N 0 0 375.878 2.519 20 5 GFBDRN CNS(=O)(=O)c1ccc(NCCc2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000608831823 566024661 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GFBDRN Cc1nn(C)c(C(=O)N2CCc3c(F)cc(Br)cc3C2)c1[N+](=O)[O-] ZINC000610728061 566095318 /nfs/dbraw/zinc/09/53/18/566095318.db2.gz QMIABJNULTWOMD-UHFFFAOYSA-N 0 0 397.204 2.737 20 5 GFBDRN Cc1cc(Cl)c(C)c(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000610890876 566105021 /nfs/dbraw/zinc/10/50/21/566105021.db2.gz TVCYRALHZSYLCO-UHFFFAOYSA-N 0 0 393.252 2.693 20 5 GFBDRN C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611021768 566111679 /nfs/dbraw/zinc/11/16/79/566111679.db2.gz FOSSASWEWFMHSW-SMDDNHRTSA-N 0 0 384.841 2.691 20 5 GFBDRN COC(=O)[C@@H]1CCCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000611571377 566137525 /nfs/dbraw/zinc/13/75/25/566137525.db2.gz YOZUPJSZBSSHGL-ZDUSSCGKSA-N 0 0 385.214 2.915 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N1CCc2sc(Br)cc2C1 ZINC000611597873 566138523 /nfs/dbraw/zinc/13/85/23/566138523.db2.gz SQPZJCALVYQLQO-UHFFFAOYSA-N 0 0 383.227 2.826 20 5 GFBDRN Cc1sc(S(=O)(=O)NCCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000613482434 566199266 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SEJJPNBHGJHZSY-CQSZACIVSA-N 0 0 395.423 2.864 20 5 GFBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)cc([N+](=O)[O-])c1 ZINC000821337578 607266767 /nfs/dbraw/zinc/26/67/67/607266767.db2.gz LRPHYSIGWQKUQL-UHFFFAOYSA-N 0 0 396.363 2.512 20 5 GFBDRN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000821109335 607305145 /nfs/dbraw/zinc/30/51/45/607305145.db2.gz HXCWMBISWNSADY-UHFFFAOYSA-N 0 0 384.425 2.901 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000823629990 607331514 /nfs/dbraw/zinc/33/15/14/607331514.db2.gz OWIWECLYHYRNHK-LBPRGKRZSA-N 0 0 376.442 2.632 20 5 GFBDRN Cn1c(CCCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000822596509 607348745 /nfs/dbraw/zinc/34/87/45/607348745.db2.gz NEASXINXSBFUSK-UHFFFAOYSA-N 0 0 378.396 2.706 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2ncn(CCCOc3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000738366103 598377653 /nfs/dbraw/zinc/37/76/53/598377653.db2.gz CKWVHGHRTWXFHP-UHFFFAOYSA-N 0 0 392.379 2.503 20 5 GFBDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735627706 598468632 /nfs/dbraw/zinc/46/86/32/598468632.db2.gz OOQPYAHCZOHPHX-GFCCVEGCSA-N 0 0 389.416 2.586 20 5 GFBDRN Nc1nc(Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)ncc1[N+](=O)[O-] ZINC000737777442 598551889 /nfs/dbraw/zinc/55/18/89/598551889.db2.gz YKLAIZHAPVFPBJ-UHFFFAOYSA-N 0 0 391.351 2.683 20 5 GFBDRN Cc1c(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217288 598578642 /nfs/dbraw/zinc/57/86/42/598578642.db2.gz ALWPQCDKPOLOSZ-MRXNPFEDSA-N 0 0 394.391 2.658 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000738371856 598636979 /nfs/dbraw/zinc/63/69/79/598636979.db2.gz YBPWJMHCFVFIOO-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(Cc3ccccc3F)CC2)c(-c2nn[nH]n2)c1 ZINC000738369298 598682597 /nfs/dbraw/zinc/68/25/97/598682597.db2.gz KLNPLGBUBUNVIM-UHFFFAOYSA-N 0 0 383.387 2.768 20 5 GFBDRN C[C@@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)N1CCOCC1 ZINC000736197934 598796893 /nfs/dbraw/zinc/79/68/93/598796893.db2.gz FEHVAMNSZYCMMI-ZDUSSCGKSA-N 0 0 395.423 2.912 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccsc3)cc(-c3nn[nH]n3)c2c1 ZINC000823645993 599567806 /nfs/dbraw/zinc/56/78/06/599567806.db2.gz ZDXHILSCKQPDER-CQSZACIVSA-N 0 0 383.393 2.530 20 5 GFBDRN CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820072673 599570324 /nfs/dbraw/zinc/57/03/24/599570324.db2.gz KCARQPRPFGNHIG-GOSISDBHSA-N 0 0 385.428 2.922 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@H](CCO)c3cccs3)cc(-c3nn[nH]n3)c2c1 ZINC000823644687 599572086 /nfs/dbraw/zinc/57/20/86/599572086.db2.gz KLHWPBJRTVWELQ-CQSZACIVSA-N 0 0 397.420 2.920 20 5 GFBDRN C[NH+](C)CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737370502 600149669 /nfs/dbraw/zinc/14/96/69/600149669.db2.gz RHERXMLZAHZCOU-UHFFFAOYSA-N 0 0 387.392 2.876 20 5 GFBDRN CC(C)OCC[NH+]1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827027256 601334913 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2.716 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C[C@H]21 ZINC000834179237 605328293 /nfs/dbraw/zinc/32/82/93/605328293.db2.gz GWDNSLNHBFBWFO-ZTFGCOKTSA-N 0 0 385.424 2.784 20 5 GFBDRN CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826904669 605480140 /nfs/dbraw/zinc/48/01/40/605480140.db2.gz ZIDTZWRMEFCUSG-UHFFFAOYSA-N 0 0 378.429 2.696 20 5 GFBDRN Cc1cc(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000822207236 606035764 /nfs/dbraw/zinc/03/57/64/606035764.db2.gz PDNPLGSKHWQWGH-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820562321 606143597 /nfs/dbraw/zinc/14/35/97/606143597.db2.gz FJNGHWYNGMFUMM-YBOJIHHZSA-N 0 0 386.437 2.710 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCCc3ccc(O)cc3)cc(-c3nn[nH]n3)c2c1 ZINC000823643868 606215548 /nfs/dbraw/zinc/21/55/48/606215548.db2.gz DJEOUNKMBXBALL-UHFFFAOYSA-N 0 0 377.364 2.683 20 5 GFBDRN COC(=O)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000821640951 606416817 /nfs/dbraw/zinc/41/68/17/606416817.db2.gz SKGZUBJQGXWKBD-YVEFUNNKSA-N 0 0 396.407 2.648 20 5 GFBDRN C[C@H]1CN(c2cc(-c3nn[nH]n3)c([N+](=O)[O-])c(N3C[C@H](C)[C@H](C)C3)c2)C[C@H]1C ZINC000820767921 606417702 /nfs/dbraw/zinc/41/77/02/606417702.db2.gz KEQNBVPOQRQUNJ-KPWCQOOUSA-N 0 0 385.472 2.959 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000823630258 606473295 /nfs/dbraw/zinc/47/32/95/606473295.db2.gz UQNVTKQGGZVLEI-UHFFFAOYSA-N 0 0 397.372 2.696 20 5 GFBDRN CC(C)(NC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819988329 606585627 /nfs/dbraw/zinc/58/56/27/606585627.db2.gz YFEKOHYIWOJKKH-UHFFFAOYSA-N 0 0 399.386 2.649 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000822271061 606655989 /nfs/dbraw/zinc/65/59/89/606655989.db2.gz KXQPNYLZPIVHNA-GFCCVEGCSA-N 0 0 382.380 2.798 20 5 GFBDRN COc1cc(CN(C)c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccc1SC ZINC000821717719 606704658 /nfs/dbraw/zinc/70/46/58/606704658.db2.gz VXGVNFUWFMUYCU-UHFFFAOYSA-N 0 0 387.425 2.537 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCc1nc2c(s1)CCCC2 ZINC000823625616 606707505 /nfs/dbraw/zinc/70/75/05/606707505.db2.gz ZZRGGGFTNTWZLM-UHFFFAOYSA-N 0 0 386.441 2.550 20 5 GFBDRN COc1ccc(C2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821786231 606715524 /nfs/dbraw/zinc/71/55/24/606715524.db2.gz BSXYGLFMNMIYHJ-UHFFFAOYSA-N 0 0 381.396 2.563 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1c(F)cccc1OC(F)F ZINC000823624541 606716149 /nfs/dbraw/zinc/71/61/49/606716149.db2.gz CDHKXUHJJVHGOU-UHFFFAOYSA-N 0 0 381.274 2.523 20 5 GFBDRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000820026051 606720514 /nfs/dbraw/zinc/72/05/14/606720514.db2.gz GOZXQTSFAAKCCF-OAHLLOKOSA-N 0 0 379.384 2.627 20 5 GFBDRN COc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000821837189 606799310 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380.320 2.631 20 5 GFBDRN O=Cc1ccc(Oc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c(Br)c1 ZINC000823556965 607162921 /nfs/dbraw/zinc/16/29/21/607162921.db2.gz CHFSUIKLZMLVJW-UHFFFAOYSA-N 0 0 391.141 2.537 20 5 GFBDRN O=C(Oc1ccc(-c2nn[nH]n2)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000823451016 607246589 /nfs/dbraw/zinc/24/65/89/607246589.db2.gz SIGAJDDOLHGWHX-UHFFFAOYSA-N 0 0 384.327 2.708 20 5 GFBDRN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826004412 607848431 /nfs/dbraw/zinc/84/84/31/607848431.db2.gz WPECXCUDEVCUOZ-UHFFFAOYSA-N 0 0 384.787 2.872 20 5 GFBDRN O=[N+]([O-])c1cnc(Oc2cccc(F)c2-c2nn[nH]n2)c(Br)c1 ZINC000826501059 607867288 /nfs/dbraw/zinc/86/72/88/607867288.db2.gz XSVOONVVKLNOBQ-UHFFFAOYSA-N 0 0 381.121 2.864 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826453429 607879406 /nfs/dbraw/zinc/87/94/06/607879406.db2.gz KLFVEVZTLGVERV-UHFFFAOYSA-N 0 0 389.169 2.790 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCOc1cccc(C(F)(F)F)n1 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/nfs/dbraw/zinc/27/88/29/552278829.db2.gz RHYNFMLMWALKNM-ZDUSSCGKSA-N 0 0 381.479 2.705 20 5 GFBDRN CC1([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)OCCO1 ZINC000182428272 552283807 /nfs/dbraw/zinc/28/38/07/552283807.db2.gz BMVQXIFSMDNSCT-LLVKDONJSA-N 0 0 399.241 2.973 20 5 GFBDRN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000182641036 552289319 /nfs/dbraw/zinc/28/93/19/552289319.db2.gz AOZVSNKQUCRJHR-VXGBXAGGSA-N 0 0 387.889 2.566 20 5 GFBDRN COc1cc(C)c(Br)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000183950069 552323964 /nfs/dbraw/zinc/32/39/64/552323964.db2.gz MDPKKCLRYXKODF-UHFFFAOYSA-N 0 0 383.202 2.900 20 5 GFBDRN Cc1nn(CCC(=O)N2CCSC[C@H]2c2nccs2)c(C)c1[N+](=O)[O-] ZINC000184529636 552337479 /nfs/dbraw/zinc/33/74/79/552337479.db2.gz LQXVAGSQQXHKMY-LBPRGKRZSA-N 0 0 381.483 2.571 20 5 GFBDRN COC(=O)[C@@](C)(NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000185285020 552359669 /nfs/dbraw/zinc/35/96/69/552359669.db2.gz SJTSJAYSETXQFU-HNNXBMFYSA-N 0 0 387.223 2.776 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000185425742 552363474 /nfs/dbraw/zinc/36/34/74/552363474.db2.gz IZKCUTOPNRPWQX-CYBMUJFWSA-N 0 0 385.492 2.839 20 5 GFBDRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186344992 552385160 /nfs/dbraw/zinc/38/51/60/552385160.db2.gz VWJVYVJJAUZPGV-ZDUSSCGKSA-N 0 0 385.873 2.812 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cc(Cl)cc3c2OCC3)c1 ZINC000186552868 552390779 /nfs/dbraw/zinc/39/07/79/552390779.db2.gz KJNAZOKWLOTCBQ-UHFFFAOYSA-N 0 0 382.825 2.803 20 5 GFBDRN COC(=O)c1ccccc1CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000186632533 552392866 /nfs/dbraw/zinc/39/28/66/552392866.db2.gz CLNAVQQBKKWZBW-UHFFFAOYSA-N 0 0 381.182 2.548 20 5 GFBDRN CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000188679518 552451842 /nfs/dbraw/zinc/45/18/42/552451842.db2.gz QKACRHLOEBZVLS-OAHLLOKOSA-N 0 0 376.862 2.730 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000189373541 552469574 /nfs/dbraw/zinc/46/95/74/552469574.db2.gz WOJRHPZZPBZQKG-UHFFFAOYSA-N 0 0 386.788 2.721 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000190874380 552512024 /nfs/dbraw/zinc/51/20/24/552512024.db2.gz YRXVPQOIBVVRNK-UHFFFAOYSA-N 0 0 393.241 2.993 20 5 GFBDRN CCOc1ccc(NC(=O)Cn2cccc(Br)c2=O)c([N+](=O)[O-])c1 ZINC000193084309 552982654 /nfs/dbraw/zinc/98/26/54/552982654.db2.gz KGZZCLDOXPBTHK-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000193890867 553005908 /nfs/dbraw/zinc/00/59/08/553005908.db2.gz AKPGHDKEHRWKBX-UHFFFAOYSA-N 0 0 385.214 2.963 20 5 GFBDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000245694328 553095533 /nfs/dbraw/zinc/09/55/33/553095533.db2.gz KDHHJKFOUNUDKT-BYCMXARLSA-N 0 0 399.241 2.766 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246034903 553100871 /nfs/dbraw/zinc/10/08/71/553100871.db2.gz ASGMWMRIEJDSMH-MFKMUULPSA-N 0 0 386.426 2.946 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000246616799 553110636 /nfs/dbraw/zinc/11/06/36/553110636.db2.gz LTIYDLXEUPCMBI-NYWJGDLRSA-N 0 0 388.511 2.570 20 5 GFBDRN CCOc1ccc(NC(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)cc1 ZINC000263726453 553192572 /nfs/dbraw/zinc/19/25/72/553192572.db2.gz YZMFNXPOWQEAFH-UHFFFAOYSA-N 0 0 383.202 2.900 20 5 GFBDRN CCC(CC)(CCO)CNc1c(I)cncc1[N+](=O)[O-] ZINC000418906890 563229876 /nfs/dbraw/zinc/22/98/76/563229876.db2.gz LEYDLGVIPWDQQQ-UHFFFAOYSA-N 0 0 393.225 2.617 20 5 GFBDRN CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000294672405 563212604 /nfs/dbraw/zinc/21/26/04/563212604.db2.gz RXLDSALPRNMVGC-HNNXBMFYSA-N 0 0 394.852 2.807 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000277666790 563219872 /nfs/dbraw/zinc/21/98/72/563219872.db2.gz VTDSVQGZDNNUJR-CLTRCRFRSA-N 0 0 389.271 2.649 20 5 GFBDRN Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000369746209 563223373 /nfs/dbraw/zinc/22/33/73/563223373.db2.gz UFDPNZNNQWWXOW-CYBMUJFWSA-N 0 0 384.845 2.898 20 5 GFBDRN Cn1cc(C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)cn1 ZINC000369958012 563229411 /nfs/dbraw/zinc/22/94/11/563229411.db2.gz DPAVCWMLSGXOII-LLVKDONJSA-N 0 0 393.241 2.796 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1NC[C@H]1CCC(F)(F)C1 ZINC000418940051 563230766 /nfs/dbraw/zinc/23/07/66/563230766.db2.gz SDVCRHWXDRTRAJ-ZETCQYMHSA-N 0 0 383.136 2.864 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000295197497 563234837 /nfs/dbraw/zinc/23/48/37/563234837.db2.gz BLJPIAABSQDDEN-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370438693 563244401 /nfs/dbraw/zinc/24/44/01/563244401.db2.gz ONBIIROLFHSJNY-UHFFFAOYSA-N 0 0 384.845 2.602 20 5 GFBDRN CCn1cc([C@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000295371429 563244717 /nfs/dbraw/zinc/24/47/17/563244717.db2.gz PUTPOHXWDPTAJV-QMMMGPOBSA-N 0 0 376.797 2.643 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000295388804 563245150 /nfs/dbraw/zinc/24/51/50/563245150.db2.gz UPQUYPLIFVVXHK-DZVKWRGASA-N 0 0 378.372 2.985 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC[C@@H]2CC23CC3)cc(Br)cc1[N+](=O)[O-] ZINC000419773911 563250389 /nfs/dbraw/zinc/25/03/89/563250389.db2.gz ODPAXGUKDHYQMT-VIFPVBQESA-N 0 0 382.214 2.521 20 5 GFBDRN Cc1nnc(C2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000370740529 563253788 /nfs/dbraw/zinc/25/37/88/563253788.db2.gz BCTGSPRZGGHGHY-UHFFFAOYSA-N 0 0 394.229 2.804 20 5 GFBDRN C[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[S@@]1=O ZINC000278470086 563257025 /nfs/dbraw/zinc/25/70/25/563257025.db2.gz NPXDOXRMFZUBDC-NRYVIMAVSA-N 0 0 387.330 2.991 20 5 GFBDRN CC1(C)SC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000278529756 563260355 /nfs/dbraw/zinc/26/03/55/563260355.db2.gz DCFHZQYOUUAHKQ-JTQLQIEISA-N 0 0 392.218 2.823 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3nccn3C)s2)c1 ZINC000371074146 563264380 /nfs/dbraw/zinc/26/43/80/563264380.db2.gz HMVUBDXPAOGZKV-UHFFFAOYSA-N 0 0 376.423 2.821 20 5 GFBDRN Cc1cccc2c1CNCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420461721 563264403 /nfs/dbraw/zinc/26/44/03/563264403.db2.gz PHJNVTZFGZPACE-UHFFFAOYSA-N 0 0 381.841 2.855 20 5 GFBDRN CC[C@@H](CO)N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000295923196 563268298 /nfs/dbraw/zinc/26/82/98/563268298.db2.gz ZLILJNPWIYUSTO-VIFPVBQESA-N 0 0 387.223 2.930 20 5 GFBDRN COC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278843314 563272807 /nfs/dbraw/zinc/27/28/07/563272807.db2.gz PVWSTHKGLZPVLS-DGCLKSJQSA-N 0 0 388.218 2.673 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420730265 563280396 /nfs/dbraw/zinc/28/03/96/563280396.db2.gz APFXESRWCFCXAF-JTQLQIEISA-N 0 0 382.360 2.957 20 5 GFBDRN COC(=O)c1ccc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000420729045 563280428 /nfs/dbraw/zinc/28/04/28/563280428.db2.gz BPYNQCUWGWLPHC-UHFFFAOYSA-N 0 0 384.435 2.538 20 5 GFBDRN Cc1nnc2n1CCC[C@@H]2NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371727174 563285775 /nfs/dbraw/zinc/28/57/75/563285775.db2.gz XHRNUFJYWCRSBG-NSHDSACASA-N 0 0 381.845 2.892 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000279286949 563290249 /nfs/dbraw/zinc/29/02/49/563290249.db2.gz AVWNGXPWKDKWCI-ZBEGNZNMSA-N 0 0 399.241 2.686 20 5 GFBDRN C[C@H]1C[C@@H](CO)CN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000420931846 563291479 /nfs/dbraw/zinc/29/14/79/563291479.db2.gz DORWDALZNRHGLM-CMPLNLGQSA-N 0 0 390.221 2.650 20 5 GFBDRN COc1ccc(CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000296782313 563301516 /nfs/dbraw/zinc/30/15/16/563301516.db2.gz SCMDRDUBTVJLEH-LBPRGKRZSA-N 0 0 378.397 2.848 20 5 GFBDRN O=C(NC[C@@H]1CC12CCSCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421257377 563303797 /nfs/dbraw/zinc/30/37/97/563303797.db2.gz KUPGBIFEBLBAOF-JTQLQIEISA-N 0 0 383.857 2.836 20 5 GFBDRN O=C(NC[C@H]1CC12CCSCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000421257378 563303976 /nfs/dbraw/zinc/30/39/76/563303976.db2.gz KUPGBIFEBLBAOF-SNVBAGLBSA-N 0 0 383.857 2.836 20 5 GFBDRN O=C(CCc1ccc(Cl)s1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296855520 563304814 /nfs/dbraw/zinc/30/48/14/563304814.db2.gz GBOBQVMUXCUQKS-UHFFFAOYSA-N 0 0 380.857 2.986 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC000372605749 563311874 /nfs/dbraw/zinc/31/18/74/563311874.db2.gz KEXZVGDGIYTBBU-UHFFFAOYSA-N 0 0 379.785 2.834 20 5 GFBDRN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000372769446 563316606 /nfs/dbraw/zinc/31/66/06/563316606.db2.gz OBDASGQRHSUZQM-HERUPUMHSA-N 0 0 396.241 2.616 20 5 GFBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC(c1cccs1)c1cccs1 ZINC000372759872 563316765 /nfs/dbraw/zinc/31/67/65/563316765.db2.gz IFGMTAIZIPZOEQ-UHFFFAOYSA-N 0 0 375.431 2.785 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000279974171 563317151 /nfs/dbraw/zinc/31/71/51/563317151.db2.gz NOTGKWMQOKMMQA-JOYOIKCWSA-N 0 0 397.204 2.824 20 5 GFBDRN O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)C1(c2ccccc2)CC1 ZINC000280000553 563318497 /nfs/dbraw/zinc/31/84/97/563318497.db2.gz SCVRGOWFKIDGCY-UHFFFAOYSA-N 0 0 377.194 2.820 20 5 GFBDRN CO[C@@H]1COCC[C@H]1CC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000297198786 563319211 /nfs/dbraw/zinc/31/92/11/563319211.db2.gz BAYDKPBGXVMEOS-IINYFYTJSA-N 0 0 388.214 2.842 20 5 GFBDRN O=C(NCC1(O)Cc2ccccc2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373108649 563328882 /nfs/dbraw/zinc/32/88/82/563328882.db2.gz CPJFAZDQDMZTQW-UHFFFAOYSA-N 0 0 397.250 2.679 20 5 GFBDRN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[S@](=O)C1 ZINC000297641663 563331644 /nfs/dbraw/zinc/33/16/44/563331644.db2.gz MSVBWLOLMWBRBC-USOBGDSLSA-N 0 0 379.360 2.846 20 5 GFBDRN CCN(C)C(=O)[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280650865 563347946 /nfs/dbraw/zinc/34/79/46/563347946.db2.gz CDDMFHCDSOCNRK-VIFPVBQESA-N 0 0 387.234 2.654 20 5 GFBDRN Cc1nnc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CCO2)[nH]1 ZINC000373835640 563352871 /nfs/dbraw/zinc/35/28/71/563352871.db2.gz MFNVRMFJWDRNLL-GFCCVEGCSA-N 0 0 386.195 2.542 20 5 GFBDRN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000298629369 563361702 /nfs/dbraw/zinc/36/17/02/563361702.db2.gz DVRZYLHWSCFGGB-UHFFFAOYSA-N 0 0 383.451 2.985 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(NC2CCC(N3CCCS3(=O)=O)CC2)c(F)c1 ZINC000374394910 563370784 /nfs/dbraw/zinc/37/07/84/563370784.db2.gz RMJHWDSLFXZOGK-UHFFFAOYSA-N 0 0 375.397 2.632 20 5 GFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@]2(CCOC2)O1 ZINC000281286697 563372004 /nfs/dbraw/zinc/37/20/04/563372004.db2.gz UABSGZQLIOFUEB-INIZCTEOSA-N 0 0 399.241 2.767 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCO1 ZINC000281325213 563373296 /nfs/dbraw/zinc/37/32/96/563373296.db2.gz KXWPRVHBXZTWFV-JTQLQIEISA-N 0 0 393.259 2.547 20 5 GFBDRN Cc1nnc([C@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000374513065 563374259 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CS(=O)(=O)N1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301132954 563393830 /nfs/dbraw/zinc/39/38/30/563393830.db2.gz USSWQCDSOVBUIG-UHFFFAOYSA-N 0 0 381.376 2.697 20 5 GFBDRN Nc1nc(Sc2nnc(NCc3ccc(F)cc3)s2)ncc1[N+](=O)[O-] ZINC000301154995 563394398 /nfs/dbraw/zinc/39/43/98/563394398.db2.gz MUOFROODGKTKJR-UHFFFAOYSA-N 0 0 379.402 2.721 20 5 GFBDRN Nc1nc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)ncc1[N+](=O)[O-] ZINC000301177525 563395668 /nfs/dbraw/zinc/39/56/68/563395668.db2.gz XHZIEDVXGZEHML-UHFFFAOYSA-N 0 0 391.722 2.833 20 5 GFBDRN O=C(c1cccs1)N1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301222697 563396489 /nfs/dbraw/zinc/39/64/89/563396489.db2.gz DARCIRUIAMJJPO-UHFFFAOYSA-N 0 0 377.451 2.718 20 5 GFBDRN Cc1ccnc(N2CCN(c3ccc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000301247942 563397916 /nfs/dbraw/zinc/39/79/16/563397916.db2.gz BERSUTZMUBEMAR-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN COc1ccc2c(c1)CCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000375356523 563401108 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COc1ccc(OC)c([C@@H](O)CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000301840133 563413091 /nfs/dbraw/zinc/41/30/91/563413091.db2.gz OQBCRLHAQPHOHZ-ZDUSSCGKSA-N 0 0 398.213 2.915 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000375709572 563415483 /nfs/dbraw/zinc/41/54/83/563415483.db2.gz AWCBJUCOGKLBFW-NSHDSACASA-N 0 0 382.829 2.607 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCOc2ccc(F)c(F)c2)s1 ZINC000301936923 563416063 /nfs/dbraw/zinc/41/60/63/563416063.db2.gz QQDFZGIEJHVTCW-UHFFFAOYSA-N 0 0 378.378 2.829 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC000301923024 563416334 /nfs/dbraw/zinc/41/63/34/563416334.db2.gz FJDVODRQQYQCQE-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN COc1ccc(CCNc2ccc([N+](=O)[O-])cc2Cl)cc1S(N)(=O)=O ZINC000301939828 563416894 /nfs/dbraw/zinc/41/68/94/563416894.db2.gz UBDDIYJSQUJEPF-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000375782808 563418600 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CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)OCc2ccccc23)s1 ZINC000302243720 563423651 /nfs/dbraw/zinc/42/36/51/563423651.db2.gz JTFGXSZZJYKHMD-MRXNPFEDSA-N 0 0 380.447 2.696 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282803777 563424850 /nfs/dbraw/zinc/42/48/50/563424850.db2.gz RSNMTXFKKIBDNT-ZDUSSCGKSA-N 0 0 384.845 2.646 20 5 GFBDRN CC1(C)CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000302621240 563426702 /nfs/dbraw/zinc/42/67/02/563426702.db2.gz DNYLZILIGSNOCM-UHFFFAOYSA-N 0 0 378.397 2.985 20 5 GFBDRN CSCCONC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000282933351 563430453 /nfs/dbraw/zinc/43/04/53/563430453.db2.gz SHCLKXKCQQMMTC-UHFFFAOYSA-N 0 0 396.206 2.532 20 5 GFBDRN COC(=O)[C@]1(C)CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000283319831 563441422 /nfs/dbraw/zinc/44/14/22/563441422.db2.gz OOFLBPVYCWQPJA-FUXBKTLASA-N 0 0 391.243 2.690 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccc2c(c1)CCC2 ZINC000322309636 563450058 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GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284780743 563490487 /nfs/dbraw/zinc/49/04/87/563490487.db2.gz WSZYHAPFIAAYET-OLZOCXBDSA-N 0 0 395.264 2.808 20 5 GFBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428507556 563493730 /nfs/dbraw/zinc/49/37/30/563493730.db2.gz RAFMTHKEBXLSKO-QPUJVOFHSA-N 0 0 384.738 2.787 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000378156513 563497779 /nfs/dbraw/zinc/49/77/79/563497779.db2.gz AUCHGEXMJFYPQS-UHFFFAOYSA-N 0 0 380.447 2.996 20 5 GFBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](CO)Cc1ccccc1Br ZINC000428695754 563500169 /nfs/dbraw/zinc/50/01/69/563500169.db2.gz XAZRXRUIJUZGHY-LBPRGKRZSA-N 0 0 380.242 2.746 20 5 GFBDRN CN(CCCNC(=O)C1CCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429422580 563516233 /nfs/dbraw/zinc/51/62/33/563516233.db2.gz HLFSTRYIMPSICJ-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN Cc1nnsc1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000384229350 563517290 /nfs/dbraw/zinc/51/72/90/563517290.db2.gz GSOUDMGFIGNYKZ-UHFFFAOYSA-N 0 0 376.179 2.971 20 5 GFBDRN C[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000285448917 563521528 /nfs/dbraw/zinc/52/15/28/563521528.db2.gz OWRYFRDYPGGOFN-QWRGUYRKSA-N 0 0 398.257 2.993 20 5 GFBDRN CO[C@@H](C)CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285456287 563521617 /nfs/dbraw/zinc/52/16/17/563521617.db2.gz PJCALLXULXNGBM-JTQLQIEISA-N 0 0 386.246 2.850 20 5 GFBDRN CO[C@@H](C)[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285458424 563522211 /nfs/dbraw/zinc/52/22/11/563522211.db2.gz PMIRRNPMQFKSDL-UWVGGRQHSA-N 0 0 386.246 2.848 20 5 GFBDRN Cc1ccc(C(=O)NCCNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000392405864 563526915 /nfs/dbraw/zinc/52/69/15/563526915.db2.gz VIRZYQRFFBNVAH-UHFFFAOYSA-N 0 0 393.241 2.633 20 5 GFBDRN Cc1cc(S(=O)(=O)NCc2c(F)cc(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000429896514 563527899 /nfs/dbraw/zinc/52/78/99/563527899.db2.gz AELSXTLCGXIWTM-UHFFFAOYSA-N 0 0 378.303 2.938 20 5 GFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000285602760 563529025 /nfs/dbraw/zinc/52/90/25/563529025.db2.gz FYGYZAJJJQCZAB-CYBMUJFWSA-N 0 0 380.706 2.816 20 5 GFBDRN COc1cc(CN2C[C@H](C)S(=O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000331141355 563537128 /nfs/dbraw/zinc/53/71/28/563537128.db2.gz FJCAYBYXMGMTPA-UWVGGRQHSA-N 0 0 378.397 2.546 20 5 GFBDRN CC(C)N1C(=O)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(C)C ZINC000331204146 563539909 /nfs/dbraw/zinc/53/99/09/563539909.db2.gz YDNJLPYLJXVEDS-UHFFFAOYSA-N 0 0 398.257 2.829 20 5 GFBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C(=O)c1ccc(Cl)s1 ZINC000430551490 563545451 /nfs/dbraw/zinc/54/54/51/563545451.db2.gz IHXQAFVYGQJPPA-UHFFFAOYSA-N 0 0 377.769 2.916 20 5 GFBDRN O=C([C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1)N1CCCC1 ZINC000408351308 563552662 /nfs/dbraw/zinc/55/26/62/563552662.db2.gz DEMYNUASQXWYAH-LLVKDONJSA-N 0 0 383.246 2.591 20 5 GFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000286314207 563555567 /nfs/dbraw/zinc/55/55/67/563555567.db2.gz KJLKIUAABQGGNQ-LLVKDONJSA-N 0 0 398.135 2.684 20 5 GFBDRN CC1(C)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000408462512 563556946 /nfs/dbraw/zinc/55/69/46/563556946.db2.gz DNMOAMDPGSTOPH-QFIPXVFZSA-N 0 0 389.271 2.731 20 5 GFBDRN CS(=O)(=O)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000286443433 563560112 /nfs/dbraw/zinc/56/01/12/563560112.db2.gz RKXVZYJTGKFRMR-UHFFFAOYSA-N 0 0 378.248 2.522 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000431490126 563561662 /nfs/dbraw/zinc/56/16/62/563561662.db2.gz JMUHMTIGYXSLIP-HNNXBMFYSA-N 0 0 399.241 2.767 20 5 GFBDRN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000409729695 563569804 /nfs/dbraw/zinc/56/98/04/563569804.db2.gz FKEAMLONOJPDJM-NSHDSACASA-N 0 0 382.467 2.789 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000431883566 563570461 /nfs/dbraw/zinc/57/04/61/563570461.db2.gz QLBGJHUQHYYIHW-CYBMUJFWSA-N 0 0 381.841 2.805 20 5 GFBDRN CCNC(=O)[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C(C)C ZINC000432156146 563575888 /nfs/dbraw/zinc/57/58/88/563575888.db2.gz UVBDVPUAQIDBAJ-AWEZNQCLSA-N 0 0 395.257 2.900 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000432273602 563578787 /nfs/dbraw/zinc/57/87/87/563578787.db2.gz BLXLLDZXFSRAHG-OAHLLOKOSA-N 0 0 382.463 2.839 20 5 GFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000410182361 563584125 /nfs/dbraw/zinc/58/41/25/563584125.db2.gz NPTGERLIASSMQF-ZIAGYGMSSA-N 0 0 378.397 2.607 20 5 GFBDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000410547685 563592410 /nfs/dbraw/zinc/59/24/10/563592410.db2.gz IQDXOURUCJFUIB-HIFRSBDPSA-N 0 0 386.495 2.792 20 5 GFBDRN Cc1c(Br)c(N(C)CCN2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000432935938 563597382 /nfs/dbraw/zinc/59/73/82/563597382.db2.gz BGYLADPSOKFICV-UHFFFAOYSA-N 0 0 387.278 2.608 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ncc(Br)cn1 ZINC000432989102 563599547 /nfs/dbraw/zinc/59/95/47/563599547.db2.gz NZWQETSDCRXNED-SNVBAGLBSA-N 0 0 394.229 2.745 20 5 GFBDRN Cc1c(Br)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000433585494 563615624 /nfs/dbraw/zinc/61/56/24/563615624.db2.gz NJKLZZUOOHWOMP-UHFFFAOYSA-N 0 0 380.198 2.641 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000435216607 563645235 /nfs/dbraw/zinc/64/52/35/563645235.db2.gz ZUDTYYQMIHRKAQ-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN Cc1c(NC(=O)NCc2nncn2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435325123 563648236 /nfs/dbraw/zinc/64/82/36/563648236.db2.gz YNJYYMCOZCABQU-UHFFFAOYSA-N 0 0 395.217 2.914 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000435591794 563654430 /nfs/dbraw/zinc/65/44/30/563654430.db2.gz HGCWSHMDDBPSTL-UHFFFAOYSA-N 0 0 382.463 2.846 20 5 GFBDRN Cc1c(NC(=O)NCC(C)(C)OCCO)cc(Br)cc1[N+](=O)[O-] ZINC000288827323 563658642 /nfs/dbraw/zinc/65/86/42/563658642.db2.gz MSHCOIMWEUMJPJ-UHFFFAOYSA-N 0 0 390.234 2.575 20 5 GFBDRN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)CS1 ZINC000412615149 563663596 /nfs/dbraw/zinc/66/35/96/563663596.db2.gz XJRXQLDTQLIAOA-HTQZYQBOSA-N 0 0 392.218 2.823 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCn1cc(Br)cn1 ZINC000289042202 563665662 /nfs/dbraw/zinc/66/56/62/563665662.db2.gz KJLDKDGELUPHAS-UHFFFAOYSA-N 0 0 382.218 2.992 20 5 GFBDRN CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)S1(=O)=O ZINC000289567359 563678483 /nfs/dbraw/zinc/67/84/83/563678483.db2.gz GNQGWBRYPTZUND-ZJUUUORDSA-N 0 0 375.834 2.678 20 5 GFBDRN O=[N+]([O-])c1ccc2ccnc(Sc3nnc(N4CCOCC4)s3)c2c1 ZINC000413079156 563681658 /nfs/dbraw/zinc/68/16/58/563681658.db2.gz UWIVMCKUBBFNPN-UHFFFAOYSA-N 0 0 375.435 2.982 20 5 GFBDRN CCOC1CC2(C1)CCN(S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C2 ZINC000289747994 563684627 /nfs/dbraw/zinc/68/46/27/563684627.db2.gz GGXHJLBZLWJXOB-UHFFFAOYSA-N 0 0 392.836 2.967 20 5 GFBDRN O=C(CN1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289992690 563693756 /nfs/dbraw/zinc/69/37/56/563693756.db2.gz SLPSSMLUCSVAAY-LBPRGKRZSA-N 0 0 384.223 2.984 20 5 GFBDRN COC1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000290067952 563696627 /nfs/dbraw/zinc/69/66/27/563696627.db2.gz TYHAIIAMFXOAFJ-UHFFFAOYSA-N 0 0 376.194 2.810 20 5 GFBDRN CSc1ccc(OC[C@@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000414121724 563720461 /nfs/dbraw/zinc/72/04/61/563720461.db2.gz ALNHBVSEGGQKKE-VIFPVBQESA-N 0 0 388.243 2.716 20 5 GFBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCNC(=O)c2ccc(Br)cc21 ZINC000439294217 563722381 /nfs/dbraw/zinc/72/23/81/563722381.db2.gz KNKCTGMVCANHFZ-UHFFFAOYSA-N 0 0 396.222 2.809 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(CCOCC2)C1 ZINC000363668488 563730255 /nfs/dbraw/zinc/73/02/55/563730255.db2.gz FNMRLAFBLHCVRZ-UHFFFAOYSA-N 0 0 386.857 2.748 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000363924276 563737157 /nfs/dbraw/zinc/73/71/57/563737157.db2.gz DNDYDPPZSSELEQ-CQSZACIVSA-N 0 0 399.220 2.803 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291390834 563741832 /nfs/dbraw/zinc/74/18/32/563741832.db2.gz ZIHCCLUMSAEBAZ-SECBINFHSA-N 0 0 393.184 2.755 20 5 GFBDRN CSc1ccc(-c2nsc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000440473018 563743194 /nfs/dbraw/zinc/74/31/94/563743194.db2.gz MKLCOWMEDZZABF-UHFFFAOYSA-N 0 0 376.423 2.670 20 5 GFBDRN COC[C@H]1CCCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000364131734 563744582 /nfs/dbraw/zinc/74/45/82/563744582.db2.gz AGNBJXSFLUNSPZ-NSHDSACASA-N 0 0 378.397 2.844 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1cn(C2CCOCC2)nn1 ZINC000291666988 563753011 /nfs/dbraw/zinc/75/30/11/563753011.db2.gz HZOIGXXYVYXOMB-UHFFFAOYSA-N 0 0 396.201 2.553 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2COc3cc(F)cc(F)c32)s1 ZINC000364915960 563768356 /nfs/dbraw/zinc/76/83/56/563768356.db2.gz KMYBXQPSOPKGFB-QMMMGPOBSA-N 0 0 376.362 2.884 20 5 GFBDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000364930899 563768925 /nfs/dbraw/zinc/76/89/25/563768925.db2.gz BNKRLKHOYNRSGX-KDDOJWQBSA-N 0 0 379.214 2.682 20 5 GFBDRN C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccsc2S1(=O)=O ZINC000292020038 563769834 /nfs/dbraw/zinc/76/98/34/563769834.db2.gz OKWVDJNPQHDNNQ-UFBFGSQYSA-N 0 0 384.410 2.832 20 5 GFBDRN O=C(N[C@@H](CO)C1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292041462 563771568 /nfs/dbraw/zinc/77/15/68/563771568.db2.gz RLDDSPUIXREXNW-NSHDSACASA-N 0 0 375.194 2.777 20 5 GFBDRN O=C(NC[C@@H]1CCc2nccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365781075 563792938 /nfs/dbraw/zinc/79/29/38/563792938.db2.gz VLJRUCOOTIKZAX-QMMMGPOBSA-N 0 0 385.243 2.608 20 5 GFBDRN O=C(Cc1ccccc1Cl)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000443474095 563806033 /nfs/dbraw/zinc/80/60/33/563806033.db2.gz IKVKHDAPYWXNPC-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cc([N+](=O)[O-])ncc1Br ZINC000366470749 563809838 /nfs/dbraw/zinc/80/98/38/563809838.db2.gz XTLKIRRHSYECFV-JTQLQIEISA-N 0 0 396.172 2.625 20 5 GFBDRN CSc1ccc(C(=O)N(C)c2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000443957599 563816332 /nfs/dbraw/zinc/81/63/32/563816332.db2.gz DIWXETXFXZUYQI-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000293521116 563816708 /nfs/dbraw/zinc/81/67/08/563816708.db2.gz SUWORLDMFSSDDC-GFCCVEGCSA-N 0 0 390.845 2.748 20 5 GFBDRN Cc1ccc(Cl)cc1S(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000443975560 563817155 /nfs/dbraw/zinc/81/71/55/563817155.db2.gz AFQZJJADHLTCBE-UHFFFAOYSA-N 0 0 380.813 2.911 20 5 GFBDRN CCC1(O)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000444162442 563823302 /nfs/dbraw/zinc/82/33/02/563823302.db2.gz AOAOSZHWJXEPLP-UHFFFAOYSA-N 0 0 386.246 2.533 20 5 GFBDRN COC1(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416491680 563837940 /nfs/dbraw/zinc/83/79/40/563837940.db2.gz YVZMLQKJDXLTBI-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[C@H]1CF ZINC000294526369 563845815 /nfs/dbraw/zinc/84/58/15/563845815.db2.gz ZCYIAPMKJAUMCP-VIFPVBQESA-N 0 0 378.141 2.774 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000367559592 563848472 /nfs/dbraw/zinc/84/84/72/563848472.db2.gz NSVWKKMPMFNGGT-SECBINFHSA-N 0 0 388.808 2.679 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(C)c(Br)c2)c1 ZINC000445608799 563850946 /nfs/dbraw/zinc/85/09/46/563850946.db2.gz DUBQVHMRMSBLQJ-UHFFFAOYSA-N 0 0 381.182 2.662 20 5 GFBDRN COC1([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000416610747 563853001 /nfs/dbraw/zinc/85/30/01/563853001.db2.gz AJAJVNNQRKHBNK-SECBINFHSA-N 0 0 382.360 2.850 20 5 GFBDRN COC(=O)[C@@]1(C)CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000416632204 563855285 /nfs/dbraw/zinc/85/52/85/563855285.db2.gz FPMQJRSYMMVWIG-HNNXBMFYSA-N 0 0 390.845 2.520 20 5 GFBDRN CC(C)OCC(C)(C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416629595 563855610 /nfs/dbraw/zinc/85/56/10/563855610.db2.gz ZOHFMIZYWJYVPS-UHFFFAOYSA-N 0 0 395.275 2.839 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000416653048 563858197 /nfs/dbraw/zinc/85/81/97/563858197.db2.gz SQMYFZUUZGVBJP-UHFFFAOYSA-N 0 0 382.360 2.635 20 5 GFBDRN C[C@@H](c1ncc(Br)cn1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367875125 563858547 /nfs/dbraw/zinc/85/85/47/563858547.db2.gz LLOOTESNLGTCHW-CMPLNLGQSA-N 0 0 381.234 2.742 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCOC[C@H]2c2ccco2)cc1Cl ZINC000368135541 563865139 /nfs/dbraw/zinc/86/51/39/563865139.db2.gz QMNWGLOHVZBKSX-LBPRGKRZSA-N 0 0 390.776 2.743 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000446952611 563871071 /nfs/dbraw/zinc/87/10/71/563871071.db2.gz RBFVGTYDMPYAFD-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN CC(C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447027763 563872570 /nfs/dbraw/zinc/87/25/70/563872570.db2.gz MFGQULDLOJHMJP-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN Cc1noc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000368534927 563873373 /nfs/dbraw/zinc/87/33/73/563873373.db2.gz RCGJTAKJFLKBHK-LBPRGKRZSA-N 0 0 387.179 2.807 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3CO)CC2)s1 ZINC000369029400 563885105 /nfs/dbraw/zinc/88/51/05/563885105.db2.gz RSVBSQRHBRIBJY-UHFFFAOYSA-N 0 0 382.463 2.717 20 5 GFBDRN Cc1c(Br)c(N2C[C@H](C)OC3(CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000447809799 563887347 /nfs/dbraw/zinc/88/73/47/563887347.db2.gz CUAZHHXQIRPPHI-JTQLQIEISA-N 0 0 386.246 2.835 20 5 GFBDRN Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369351622 563893071 /nfs/dbraw/zinc/89/30/71/563893071.db2.gz FPFLYHIANWUTBU-LLVKDONJSA-N 0 0 384.845 2.550 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cn2nnc(-c3ccc(Br)o3)n2)c(F)c1 ZINC000505699873 564188015 /nfs/dbraw/zinc/18/80/15/564188015.db2.gz KXZJVOLPJDZJIC-UHFFFAOYSA-N 0 0 386.112 2.930 20 5 GFBDRN Cc1cc(Br)cc2c1CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2 ZINC000539374853 564217738 /nfs/dbraw/zinc/21/77/38/564217738.db2.gz LPPGAISWTXKGDD-UHFFFAOYSA-N 0 0 392.209 2.965 20 5 GFBDRN CNC(=O)c1ccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000507588245 564233783 /nfs/dbraw/zinc/23/37/83/564233783.db2.gz JSBNGNFLUDKEHQ-UHFFFAOYSA-N 0 0 380.447 2.650 20 5 GFBDRN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000507676444 564238552 /nfs/dbraw/zinc/23/85/52/564238552.db2.gz MKAFWLOQLYVRCD-VIFPVBQESA-N 0 0 385.193 2.960 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000473528840 564248875 /nfs/dbraw/zinc/24/88/75/564248875.db2.gz NBLLVDHCEJUKDB-CYBMUJFWSA-N 0 0 393.237 2.938 20 5 GFBDRN Cc1nn(C)c(NC[C@H](CO)Cc2ccc(C)c(Br)c2)c1[N+](=O)[O-] ZINC000450845365 564251152 /nfs/dbraw/zinc/25/11/52/564251152.db2.gz MWEJHZBNKMPIJF-CYBMUJFWSA-N 0 0 397.273 2.971 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1N1CC[C@H](c2cccnc2)C1 ZINC000564902684 564255666 /nfs/dbraw/zinc/25/56/66/564255666.db2.gz BKGCFNNNJBLMGW-NSHDSACASA-N 0 0 396.188 2.983 20 5 GFBDRN Cn1ccnc1[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450952515 564255833 /nfs/dbraw/zinc/25/58/33/564255833.db2.gz UJOQJQBISQYPEF-PWSUYJOCSA-N 0 0 382.218 2.818 20 5 GFBDRN CCOC(=O)c1cnc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1C ZINC000508146064 564256377 /nfs/dbraw/zinc/25/63/77/564256377.db2.gz BGAGLZDPWSVCRI-UHFFFAOYSA-N 0 0 397.185 2.520 20 5 GFBDRN Cc1ccc(Br)cc1-c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000508624634 564268340 /nfs/dbraw/zinc/26/83/40/564268340.db2.gz FVLHAQSMYLAGPM-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N(C)Cc2ccc[nH]2)cc1[N+](=O)[O-] ZINC000474220502 564270600 /nfs/dbraw/zinc/27/06/00/564270600.db2.gz URGILYIYFZJHKQ-UHFFFAOYSA-N 0 0 388.243 2.815 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000541285329 564272433 /nfs/dbraw/zinc/27/24/33/564272433.db2.gz JHYBEZDBLLYETA-UHFFFAOYSA-N 0 0 386.246 2.522 20 5 GFBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1 ZINC000474350694 564275238 /nfs/dbraw/zinc/27/52/38/564275238.db2.gz QIDGYYWZWVCMPC-UHFFFAOYSA-N 0 0 380.198 2.572 20 5 GFBDRN CC(=O)NC1CCC(N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000541354649 564275869 /nfs/dbraw/zinc/27/58/69/564275869.db2.gz WCKFTAMEZMTZIM-UHFFFAOYSA-N 0 0 398.257 2.877 20 5 GFBDRN Cc1ccc(-c2nnc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)o2)cc1 ZINC000474363811 564276384 /nfs/dbraw/zinc/27/63/84/564276384.db2.gz XHTXHPVWYCECTP-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000541447540 564279791 /nfs/dbraw/zinc/27/97/91/564279791.db2.gz CLWXGDXWJZNQGJ-SNVBAGLBSA-N 0 0 387.179 2.577 20 5 GFBDRN CC(=O)N(c1nc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000509147689 564283776 /nfs/dbraw/zinc/28/37/76/564283776.db2.gz WNCQIHIQFLMIMW-UHFFFAOYSA-N 0 0 381.435 2.541 20 5 GFBDRN Cc1c(Br)c(N(C)Cc2cnc(N(C)C)nc2)ncc1[N+](=O)[O-] ZINC000541577290 564283961 /nfs/dbraw/zinc/28/39/61/564283961.db2.gz QFUFYDUIODPRFS-UHFFFAOYSA-N 0 0 381.234 2.553 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000565546229 564285202 /nfs/dbraw/zinc/28/52/02/564285202.db2.gz YIVZOBMFYCDYAX-ZDUSSCGKSA-N 0 0 398.257 2.795 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccsc1Br ZINC000509512633 564301925 /nfs/dbraw/zinc/30/19/25/564301925.db2.gz VKYOZIKULNVXDE-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN Cc1cnccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000509543706 564303377 /nfs/dbraw/zinc/30/33/77/564303377.db2.gz UDHVPVIIRNMSGW-UHFFFAOYSA-N 0 0 397.172 2.885 20 5 GFBDRN NC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000475440928 564308768 /nfs/dbraw/zinc/30/87/68/564308768.db2.gz NZCDBKVZNDQERX-AWEZNQCLSA-N 0 0 382.189 2.813 20 5 GFBDRN CCc1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000542582160 564319549 /nfs/dbraw/zinc/31/95/49/564319549.db2.gz OKOLCZYOCSRAIU-UHFFFAOYSA-N 0 0 382.463 2.731 20 5 GFBDRN COC(=O)c1cccc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000566355489 564324611 /nfs/dbraw/zinc/32/46/11/564324611.db2.gz CPRSSEIYAHFMLI-UHFFFAOYSA-N 0 0 381.182 2.662 20 5 GFBDRN CO[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000451545038 564324827 /nfs/dbraw/zinc/32/48/27/564324827.db2.gz NPQSNTMBKJUXAQ-YGRLFVJLSA-N 0 0 386.246 2.653 20 5 GFBDRN Nc1c(C(=O)N[C@H](CCO)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000542912043 564331575 /nfs/dbraw/zinc/33/15/75/564331575.db2.gz FHAPQOJKFKTYDR-CYBMUJFWSA-N 0 0 394.225 2.793 20 5 GFBDRN COC(=O)[C@@H](CCn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccccc1 ZINC000566561382 564332564 /nfs/dbraw/zinc/33/25/64/564332564.db2.gz VYZGAMUJXLQJIE-ZDUSSCGKSA-N 0 0 395.209 2.866 20 5 GFBDRN COCCCOC1(Cn2cc([N+](=O)[O-])cc(Br)c2=O)CCCC1 ZINC000543265724 564344800 /nfs/dbraw/zinc/34/48/00/564344800.db2.gz LFXYXZQTYSKQSK-UHFFFAOYSA-N 0 0 389.246 2.885 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451741390 564346689 /nfs/dbraw/zinc/34/66/89/564346689.db2.gz CDEVLSUNYQCMJQ-HNNXBMFYSA-N 0 0 384.841 2.911 20 5 GFBDRN CC(C)C[C@H](CO)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000476613610 564347482 /nfs/dbraw/zinc/34/74/82/564347482.db2.gz SVARMHVTBPPLML-SNVBAGLBSA-N 0 0 385.269 2.929 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000451746717 564347829 /nfs/dbraw/zinc/34/78/29/564347829.db2.gz RIJHLLOZPSECKX-MRXNPFEDSA-N 0 0 384.841 2.911 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000566929212 564349744 /nfs/dbraw/zinc/34/97/44/564349744.db2.gz IDLNJKZDIRHVOF-RPFQZYLTSA-N 0 0 396.241 2.991 20 5 GFBDRN CC(=O)Nc1ncccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000543420239 564350656 /nfs/dbraw/zinc/35/06/56/564350656.db2.gz OKHJMOIDINZERN-UHFFFAOYSA-N 0 0 393.197 2.892 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCOc2ncc(Br)cc21 ZINC000543502029 564352605 /nfs/dbraw/zinc/35/26/05/564352605.db2.gz MUZQDLBOFFVTEW-UHFFFAOYSA-N 0 0 378.182 2.720 20 5 GFBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000476813434 564353884 /nfs/dbraw/zinc/35/38/84/564353884.db2.gz GRMHDKCZVUTZRF-CYBMUJFWSA-N 0 0 387.223 2.981 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@]2(C)OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000567150529 564359349 /nfs/dbraw/zinc/35/93/49/564359349.db2.gz FDSVFYLBRWGZFT-INIZCTEOSA-N 0 0 382.463 2.731 20 5 GFBDRN O=C1[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1Cl ZINC000477089690 564364596 /nfs/dbraw/zinc/36/45/96/564364596.db2.gz QNAVYNSSOYYHJT-HNNXBMFYSA-N 0 0 380.809 2.827 20 5 GFBDRN COc1ncccc1CCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000567318120 564366009 /nfs/dbraw/zinc/36/60/09/564366009.db2.gz UDLPGCXDWVBQSU-UHFFFAOYSA-N 0 0 386.227 2.795 20 5 GFBDRN C[C@H]1N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1(C)C ZINC000477210358 564369236 /nfs/dbraw/zinc/36/92/36/564369236.db2.gz XJHZOAMWURLMPD-SECBINFHSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000511398886 564370538 /nfs/dbraw/zinc/37/05/38/564370538.db2.gz QHQSYBFULLSEAD-SECBINFHSA-N 0 0 384.788 2.806 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000451955472 564372380 /nfs/dbraw/zinc/37/23/80/564372380.db2.gz PDQCVAWYXHRGAY-AWEZNQCLSA-N 0 0 386.426 2.866 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000477284087 564372654 /nfs/dbraw/zinc/37/26/54/564372654.db2.gz YLQVXSFHMTZKQZ-UHFFFAOYSA-N 0 0 386.495 2.792 20 5 GFBDRN CCn1cc(S(=O)(=O)NC2(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000452006649 564380223 /nfs/dbraw/zinc/38/02/23/564380223.db2.gz OTSRRYVOOUOPHK-UHFFFAOYSA-N 0 0 384.845 2.518 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452009809 564381546 /nfs/dbraw/zinc/38/15/46/564381546.db2.gz AMVCORHPWNWBKV-JTQLQIEISA-N 0 0 382.360 2.709 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CN(c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000544395246 564385134 /nfs/dbraw/zinc/38/51/34/564385134.db2.gz XGYIDYWMNHWGNB-LLVKDONJSA-N 0 0 377.198 2.888 20 5 GFBDRN C[C@@](CO)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000477805104 564388424 /nfs/dbraw/zinc/38/84/24/564388424.db2.gz WZDJRFLGDSOTMB-INIZCTEOSA-N 0 0 384.479 2.713 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)c1cccc(Cl)c1F ZINC000544598150 564389924 /nfs/dbraw/zinc/38/99/24/564389924.db2.gz CFZMVUNQHPOYLB-ZDUSSCGKSA-N 0 0 388.804 2.708 20 5 GFBDRN NC(=O)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000512360486 564398828 /nfs/dbraw/zinc/39/88/28/564398828.db2.gz ATBQTJNYSDAWBG-CQSZACIVSA-N 0 0 392.209 2.704 20 5 GFBDRN CC(F)(F)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000452207250 564398894 /nfs/dbraw/zinc/39/88/94/564398894.db2.gz UCFFSTDBPKPYAE-SNVBAGLBSA-N 0 0 375.397 2.813 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000544808392 564400589 /nfs/dbraw/zinc/40/05/89/564400589.db2.gz RKQHVRZSVKYKRY-UHFFFAOYSA-N 0 0 382.419 2.584 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1OC[C@@H](O)C(F)(F)F ZINC000478674931 564411535 /nfs/dbraw/zinc/41/15/35/564411535.db2.gz LONNLJTVFZNCQN-MRVPVSSYSA-N 0 0 377.056 2.501 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000478857082 564417017 /nfs/dbraw/zinc/41/70/17/564417017.db2.gz SMJDKDFWRLTVEY-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN Cc1csc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000452744867 564428791 /nfs/dbraw/zinc/42/87/91/564428791.db2.gz MWIIZHAEAUSQGV-GFCCVEGCSA-N 0 0 379.463 2.947 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452849221 564434037 /nfs/dbraw/zinc/43/40/37/564434037.db2.gz PBWUAFSYWIMBLT-ZDUSSCGKSA-N 0 0 393.241 2.960 20 5 GFBDRN O=C(CNC(=O)c1csc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000479382342 564437934 /nfs/dbraw/zinc/43/79/34/564437934.db2.gz KIIFZMUWIVMNLN-UHFFFAOYSA-N 0 0 384.211 2.787 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000479614084 564445549 /nfs/dbraw/zinc/44/55/49/564445549.db2.gz OKKIIEYEHJVGJV-ZANVPECISA-N 0 0 385.214 2.771 20 5 GFBDRN C[C@H](O)[C@H]1CCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173412 564451701 /nfs/dbraw/zinc/45/17/01/564451701.db2.gz RSGVBKUUWBEIML-IINYFYTJSA-N 0 0 390.221 2.935 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(CCc3ccccc3Br)no2)n1 ZINC000546463539 564455912 /nfs/dbraw/zinc/45/59/12/564455912.db2.gz RKKXTDXIUDPPOP-UHFFFAOYSA-N 0 0 378.186 2.926 20 5 GFBDRN O=[N+]([O-])c1ncn(Cc2nc(CCCc3ccccc3Br)no2)n1 ZINC000546494241 564456863 /nfs/dbraw/zinc/45/68/63/564456863.db2.gz MJEAFMCVLXJHHN-UHFFFAOYSA-N 0 0 393.201 2.555 20 5 GFBDRN Cc1c(Br)c(N2CC[C@@H](Nc3ncccn3)C2)ncc1[N+](=O)[O-] ZINC000569451169 564463618 /nfs/dbraw/zinc/46/36/18/564463618.db2.gz BARBNPILYATIPD-SNVBAGLBSA-N 0 0 379.218 2.542 20 5 GFBDRN Cc1nnc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000546765544 564467677 /nfs/dbraw/zinc/46/76/77/564467677.db2.gz ONTWKXGUKKAHLH-ZETCQYMHSA-N 0 0 385.243 2.937 20 5 GFBDRN CC[C@@](C)(CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)OC ZINC000515597891 564482835 /nfs/dbraw/zinc/48/28/35/564482835.db2.gz SPTSJVNRIYPMFF-ZDUSSCGKSA-N 0 0 392.193 2.744 20 5 GFBDRN CC[C@](C)(CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)OC ZINC000515597890 564483061 /nfs/dbraw/zinc/48/30/61/564483061.db2.gz SPTSJVNRIYPMFF-CYBMUJFWSA-N 0 0 392.193 2.744 20 5 GFBDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000547349460 564486233 /nfs/dbraw/zinc/48/62/33/564486233.db2.gz RGZBRFZCTYCTFQ-SNVBAGLBSA-N 0 0 380.754 2.684 20 5 GFBDRN CCC[C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)OC ZINC000570017545 564487752 /nfs/dbraw/zinc/48/77/52/564487752.db2.gz GPYZQQDLMVKOGC-LBPRGKRZSA-N 0 0 392.193 2.744 20 5 GFBDRN CNS(=O)(=O)c1ccc(SCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000480790654 564489114 /nfs/dbraw/zinc/48/91/14/564489114.db2.gz ZLOFBAQYWBDISL-UHFFFAOYSA-N 0 0 382.419 2.524 20 5 GFBDRN Nc1nc(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC000481060133 564502155 /nfs/dbraw/zinc/50/21/55/564502155.db2.gz ZVXVGUVCUTVCLF-SECBINFHSA-N 0 0 377.710 2.615 20 5 GFBDRN CN(Cc1cccc(Br)c1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000516480643 564502707 /nfs/dbraw/zinc/50/27/07/564502707.db2.gz MSTSKFDPYUXMMA-UHFFFAOYSA-N 0 0 392.209 2.954 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516521743 564504494 /nfs/dbraw/zinc/50/44/94/564504494.db2.gz SXFPYMNJGKADGG-LLVKDONJSA-N 0 0 394.280 2.760 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000481497556 564514310 /nfs/dbraw/zinc/51/43/10/564514310.db2.gz VQMXGUCBKRZTFB-ZDUSSCGKSA-N 0 0 391.232 2.914 20 5 GFBDRN Cc1c(CNC(=O)c2cc(I)c[nH]2)cccc1[N+](=O)[O-] ZINC000481486033 564514523 /nfs/dbraw/zinc/51/45/23/564514523.db2.gz XFYUKAVADGWUGL-UHFFFAOYSA-N 0 0 385.161 2.766 20 5 GFBDRN COc1cnc(NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000570724637 564519260 /nfs/dbraw/zinc/51/92/60/564519260.db2.gz ZWWIWDRNJUMQKG-UHFFFAOYSA-N 0 0 382.170 2.778 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000481961116 564530154 /nfs/dbraw/zinc/53/01/54/564530154.db2.gz MCQMFYXPPLHBHG-GFCCVEGCSA-N 0 0 383.191 2.765 20 5 GFBDRN O=C(Nc1cnn(-c2ccccc2Br)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548089419 564530502 /nfs/dbraw/zinc/53/05/02/564530502.db2.gz KMHGBGSMFACQNT-UHFFFAOYSA-N 0 0 377.158 2.518 20 5 GFBDRN Cc1cnc(NC[C@@H](O)COc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000481998890 564531451 /nfs/dbraw/zinc/53/14/51/564531451.db2.gz KJRJGDXOYBEPCG-LLVKDONJSA-N 0 0 382.214 2.913 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCOc3ccccc32)c1 ZINC000517483836 564535614 /nfs/dbraw/zinc/53/56/14/564535614.db2.gz FEIXTEUNLKBNQL-UHFFFAOYSA-N 0 0 399.222 2.945 20 5 GFBDRN CC(C)(C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)n1cc([N+](=O)[O-])cn1 ZINC000518064894 564546132 /nfs/dbraw/zinc/54/61/32/564546132.db2.gz NUDSTKZJLKCRCG-ZIAGYGMSSA-N 0 0 393.241 2.961 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000518247586 564548740 /nfs/dbraw/zinc/54/87/40/564548740.db2.gz GTLYADZQGFNZIH-AOOOYVTPSA-N 0 0 384.380 2.553 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000571386441 564549488 /nfs/dbraw/zinc/54/94/88/564549488.db2.gz WLCCQANAPMRDGZ-JTQLQIEISA-N 0 0 385.136 2.661 20 5 GFBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Oc1ccccc1Br ZINC000482803228 564550836 /nfs/dbraw/zinc/55/08/36/564550836.db2.gz NFJADPHGRRSGMZ-SNVBAGLBSA-N 0 0 382.214 2.893 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000571438666 564551606 /nfs/dbraw/zinc/55/16/06/564551606.db2.gz ZJDWQBYHOIVVLU-MRXNPFEDSA-N 0 0 382.463 2.981 20 5 GFBDRN Cc1nn(CCC(=O)Nc2nc(CC(F)(F)F)cs2)c(C)c1[N+](=O)[O-] ZINC000572199081 564584041 /nfs/dbraw/zinc/58/40/41/564584041.db2.gz DZVBSNGRVDCCPV-UHFFFAOYSA-N 0 0 377.348 2.998 20 5 GFBDRN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000484258303 564584942 /nfs/dbraw/zinc/58/49/42/564584942.db2.gz VDYCMRCXBUYBAS-CQSZACIVSA-N 0 0 383.495 2.700 20 5 GFBDRN CCN(C)C(=O)[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)C ZINC000456049264 564586003 /nfs/dbraw/zinc/58/60/03/564586003.db2.gz QJDHJYXJBUVJFQ-JTQLQIEISA-N 0 0 392.275 2.652 20 5 GFBDRN Cc1cnc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000519672550 564586396 /nfs/dbraw/zinc/58/63/96/564586396.db2.gz RLEPIYCUSMBMPG-UHFFFAOYSA-N 0 0 380.857 2.904 20 5 GFBDRN Cc1c(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)cccc1[N+](=O)[O-] ZINC000484503893 564589520 /nfs/dbraw/zinc/58/95/20/564589520.db2.gz SZXVTWAOUVAACS-UHFFFAOYSA-N 0 0 395.213 2.686 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1[N+](=O)[O-] ZINC000456273181 564598048 /nfs/dbraw/zinc/59/80/48/564598048.db2.gz HTMPFGKBNIVCHF-LLVKDONJSA-N 0 0 397.204 2.956 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000572627818 564602572 /nfs/dbraw/zinc/60/25/72/564602572.db2.gz LLDRGXITHLFTEW-UHFFFAOYSA-N 0 0 391.783 2.917 20 5 GFBDRN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)Oc1ccc(Cl)cc1 ZINC000572673336 564605708 /nfs/dbraw/zinc/60/57/08/564605708.db2.gz GKTWEFMXUXXLSW-JTQLQIEISA-N 0 0 385.829 2.775 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cnn(C)c1 ZINC000456439285 564607746 /nfs/dbraw/zinc/60/77/46/564607746.db2.gz PSWVAHOJHNWJLZ-SECBINFHSA-N 0 0 381.230 2.760 20 5 GFBDRN CCS(=O)(=O)CCCCCn1cnc2c(Cl)cc([N+](=O)[O-])cc2c1=O ZINC000572761102 564608843 /nfs/dbraw/zinc/60/88/43/564608843.db2.gz WVBRXHSZUBHCNP-UHFFFAOYSA-N 0 0 387.845 2.563 20 5 GFBDRN CN(CCCC(=O)OC(C)(C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000520644270 564609425 /nfs/dbraw/zinc/60/94/25/564609425.db2.gz WJOVOWBQUYXNFM-UHFFFAOYSA-N 0 0 378.472 2.618 20 5 GFBDRN COCc1nc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cs1 ZINC000520671174 564610433 /nfs/dbraw/zinc/61/04/33/564610433.db2.gz YYZQUMOGGYMAEB-UHFFFAOYSA-N 0 0 386.227 2.890 20 5 GFBDRN Cc1nccn1C[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000550624131 564627560 /nfs/dbraw/zinc/62/75/60/564627560.db2.gz JXSODYYKLMXJOO-JTQLQIEISA-N 0 0 386.861 2.676 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(CCO)CC1CCCCC1 ZINC000485934129 564631762 /nfs/dbraw/zinc/63/17/62/564631762.db2.gz RPIKHCXRFGEDTB-UHFFFAOYSA-N 0 0 376.862 2.812 20 5 GFBDRN CC(C)CN1C[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000486009352 564635240 /nfs/dbraw/zinc/63/52/40/564635240.db2.gz WWDIJQRTOOKQCH-ZDUSSCGKSA-N 0 0 397.273 2.940 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486242460 564645583 /nfs/dbraw/zinc/64/55/83/564645583.db2.gz WGNIUCIOHVHEHS-LBPRGKRZSA-N 0 0 383.495 2.748 20 5 GFBDRN CCN(CCC1CC1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551453514 564650028 /nfs/dbraw/zinc/65/00/28/564650028.db2.gz PVWMBTIWVNOWMK-UHFFFAOYSA-N 0 0 384.230 2.944 20 5 GFBDRN Cc1c(NC(=O)N(C)CCN2CCCC2=O)cc(Br)cc1[N+](=O)[O-] ZINC000573879893 564658020 /nfs/dbraw/zinc/65/80/20/564658020.db2.gz OLWHSMNWSZOVGB-UHFFFAOYSA-N 0 0 399.245 2.752 20 5 GFBDRN CCC[C@H](C)[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573925619 564661074 /nfs/dbraw/zinc/66/10/74/564661074.db2.gz GREVCIIUFBDVAZ-ONGXEEELSA-N 0 0 384.376 2.689 20 5 GFBDRN CO[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1OC ZINC000487063217 564674683 /nfs/dbraw/zinc/67/46/83/564674683.db2.gz UDUNFKQUOPHFLD-ZIAGYGMSSA-N 0 0 382.214 2.756 20 5 GFBDRN COCCN(Cc1scnc1C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000487414506 564687323 /nfs/dbraw/zinc/68/73/23/564687323.db2.gz UEHZNEXQGTYVKV-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000524867852 564688656 /nfs/dbraw/zinc/68/86/56/564688656.db2.gz XCNIVELSDUOIOW-HUBLWGQQSA-N 0 0 386.495 2.547 20 5 GFBDRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])s1 ZINC000576022080 564704756 /nfs/dbraw/zinc/70/47/56/564704756.db2.gz SOEHRJQZUXSNEK-UHFFFAOYSA-N 0 0 388.854 2.904 20 5 GFBDRN COC(=O)CN1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000576674692 564717380 /nfs/dbraw/zinc/71/73/80/564717380.db2.gz XOBUNDIBACFFDB-LLVKDONJSA-N 0 0 386.246 2.654 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[S@@]1=O ZINC000553400303 564718769 /nfs/dbraw/zinc/71/87/69/564718769.db2.gz VKVOKUXCDYKNPK-CFUNISHFSA-N 0 0 376.381 2.568 20 5 GFBDRN COCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000488822502 564721790 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389.169 2.790 20 5 GFBDRN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737932601 598380794 /nfs/dbraw/zinc/38/07/94/598380794.db2.gz OJWONMQLNAKKSS-UHFFFAOYSA-N 0 0 388.384 2.786 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826231085 607360791 /nfs/dbraw/zinc/36/07/91/607360791.db2.gz WNRCCQORUKKAPL-UHFFFAOYSA-N 0 0 399.388 2.537 20 5 GFBDRN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735904715 598568203 /nfs/dbraw/zinc/56/82/03/598568203.db2.gz AGPRHWDIUQIJBR-UHFFFAOYSA-N 0 0 386.343 2.954 20 5 GFBDRN O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738229791 598703810 /nfs/dbraw/zinc/70/38/10/598703810.db2.gz AHVJUSOMMLSYKN-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)N1CCOCC1 ZINC000736197933 598796918 /nfs/dbraw/zinc/79/69/18/598796918.db2.gz FEHVAMNSZYCMMI-CYBMUJFWSA-N 0 0 395.423 2.912 20 5 GFBDRN O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)c(-c2nn[nH]n2)c1 ZINC000738367532 598817769 /nfs/dbraw/zinc/81/77/69/598817769.db2.gz VBDQWBNXNVWFQS-UHFFFAOYSA-N 0 0 380.393 2.566 20 5 GFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140648 599323274 /nfs/dbraw/zinc/32/32/74/599323274.db2.gz YRWSSBYCZBWGKK-LLVKDONJSA-N 0 0 395.379 2.905 20 5 GFBDRN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[nH]n2)c1 ZINC000820385887 599523657 /nfs/dbraw/zinc/52/36/57/599523657.db2.gz VLDKMLGLQGNRTR-SNVBAGLBSA-N 0 0 377.364 2.747 20 5 GFBDRN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820313311 599538112 /nfs/dbraw/zinc/53/81/12/599538112.db2.gz CRPQHGHQAAWZAU-GFCCVEGCSA-N 0 0 380.408 2.930 20 5 GFBDRN Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000822335874 599547565 /nfs/dbraw/zinc/54/75/65/599547565.db2.gz NBBVKWRYURYKGL-UHFFFAOYSA-N 0 0 391.391 2.544 20 5 GFBDRN Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738308672 599951976 /nfs/dbraw/zinc/95/19/76/599951976.db2.gz ULOQUTAOPWDQOZ-UHFFFAOYSA-N 0 0 385.420 2.805 20 5 GFBDRN O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826428133 607426607 /nfs/dbraw/zinc/42/66/07/607426607.db2.gz PSVQNBPLKUDKNW-UHFFFAOYSA-N 0 0 384.783 2.847 20 5 GFBDRN O=C([O-])[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171291 601013434 /nfs/dbraw/zinc/01/34/34/601013434.db2.gz NJQIHBBRQKKTHF-BBRMVZONSA-N 0 0 376.800 2.955 20 5 GFBDRN COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000832395034 601202227 /nfs/dbraw/zinc/20/22/27/601202227.db2.gz ZHWDVVMBAXLQIO-KZULUSFZSA-N 0 0 387.392 2.594 20 5 GFBDRN Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000595893963 601546838 /nfs/dbraw/zinc/54/68/38/601546838.db2.gz YKAJKYMCUIRAIT-IBGZPJMESA-N 0 0 383.404 2.916 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000595892477 601547791 /nfs/dbraw/zinc/54/77/91/601547791.db2.gz SFISNZMBOYKZIV-LJQANCHMSA-N 0 0 399.403 2.616 20 5 GFBDRN C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000827735274 601645115 /nfs/dbraw/zinc/64/51/15/601645115.db2.gz SMPGIFVICRCVCK-MRVPVSSYSA-N 0 0 377.319 2.641 20 5 GFBDRN O=C([O-])CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000833225668 604802068 /nfs/dbraw/zinc/80/20/68/604802068.db2.gz DBCZQDZOADAYTM-UHFFFAOYSA-N 0 0 397.431 2.851 20 5 GFBDRN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[N@@H+]1C1CC1 ZINC000833595860 605021893 /nfs/dbraw/zinc/02/18/93/605021893.db2.gz ARUKQBRABKMSLW-NEPJUHHUSA-N 0 0 393.465 2.517 20 5 GFBDRN CCc1cc(N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833671874 605050205 /nfs/dbraw/zinc/05/02/05/605050205.db2.gz SPDWWTBPRMMGCN-CQSZACIVSA-N 0 0 399.451 2.599 20 5 GFBDRN CCc1ccc(C(=O)OCCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000821476518 606130938 /nfs/dbraw/zinc/13/09/38/606130938.db2.gz OZUMZSPGDYJWNK-UHFFFAOYSA-N 0 0 383.364 2.573 20 5 GFBDRN C[C@H](OC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820496663 606339047 /nfs/dbraw/zinc/33/90/47/606339047.db2.gz NTERNNHFWCTWGQ-LBPRGKRZSA-N 0 0 382.380 2.881 20 5 GFBDRN CC(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820044354 606471917 /nfs/dbraw/zinc/47/19/17/606471917.db2.gz GCVXEYFUSAXVKG-PIGZYNQJSA-N 0 0 383.412 2.796 20 5 GFBDRN CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820913885 606588813 /nfs/dbraw/zinc/58/88/13/606588813.db2.gz LLKFYBRVOINBRI-WBMJQRKESA-N 0 0 396.407 2.810 20 5 GFBDRN CN(Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000821617107 606644798 /nfs/dbraw/zinc/64/47/98/606644798.db2.gz WZSUCEHFDRXFPD-UHFFFAOYSA-N 0 0 376.380 2.597 20 5 GFBDRN CC(C)c1nc([C@H]2CCCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)no1 ZINC000820202418 606645365 /nfs/dbraw/zinc/64/53/65/606645365.db2.gz HXOVHPZZZHEHRL-NSHDSACASA-N 0 0 384.400 2.665 20 5 GFBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814478 606671849 /nfs/dbraw/zinc/67/18/49/606671849.db2.gz WMQHCJFJBGOXGQ-QMMMGPOBSA-N 0 0 386.318 2.645 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(F)cc1C(F)(F)F ZINC000823625404 606698711 /nfs/dbraw/zinc/69/87/11/606698711.db2.gz UMPGQOIEJPOPFJ-UHFFFAOYSA-N 0 0 383.265 2.940 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(=Cc2cccc(F)c2)CC1 ZINC000823614981 606700079 /nfs/dbraw/zinc/70/00/79/606700079.db2.gz WIOVFFXZXPFODY-UHFFFAOYSA-N 0 0 381.371 2.993 20 5 GFBDRN Cc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1OCC(F)F ZINC000822259476 606706597 /nfs/dbraw/zinc/70/65/97/606706597.db2.gz YEPHUZUCKVUZLM-UHFFFAOYSA-N 0 0 377.311 2.866 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000823621153 606712991 /nfs/dbraw/zinc/71/29/91/606712991.db2.gz XDGAYTFQEIZEMF-LDYMZIIASA-N 0 0 375.751 2.930 20 5 GFBDRN Cc1cc(C)n(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 ZINC000822197581 606723071 /nfs/dbraw/zinc/72/30/71/606723071.db2.gz GUJXANLMUZXJER-UHFFFAOYSA-N 0 0 391.395 2.585 20 5 GFBDRN O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823426943 606991405 /nfs/dbraw/zinc/99/14/05/606991405.db2.gz RRPXRDGAHCNZNT-UHFFFAOYSA-N 0 0 377.719 2.924 20 5 GFBDRN Cc1cc(C)cc(-c2nnc(Sc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])o2)c1 ZINC000822196303 607164920 /nfs/dbraw/zinc/16/49/20/607164920.db2.gz DGILELDGPSIEEP-UHFFFAOYSA-N 0 0 396.392 2.988 20 5 GFBDRN Cc1c(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000822061513 607235661 /nfs/dbraw/zinc/23/56/61/607235661.db2.gz ORNKMNUCBCNHKP-UHFFFAOYSA-N 0 0 382.380 2.879 20 5 GFBDRN Cn1cc(-c2ccccc2CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1 ZINC000826356271 607966664 /nfs/dbraw/zinc/96/66/64/607966664.db2.gz JJYPXDRLQDCHCT-UHFFFAOYSA-N 0 0 376.380 2.788 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826186380 608106557 /nfs/dbraw/zinc/10/65/57/608106557.db2.gz QABLZGBDRZZUKE-UHFFFAOYSA-N 0 0 379.336 2.517 20 5 GFBDRN CC(=O)c1csc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000824029882 608160402 /nfs/dbraw/zinc/16/04/02/608160402.db2.gz SURDPJZLJGQDTE-UHFFFAOYSA-N 0 0 392.784 2.945 20 5 GFBDRN Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826338378 608162014 /nfs/dbraw/zinc/16/20/14/608162014.db2.gz TYNYGVJNWMCMSP-LURJTMIESA-N 0 0 391.775 2.775 20 5 GFBDRN COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000826189971 608239657 /nfs/dbraw/zinc/23/96/57/608239657.db2.gz LDDHYCAQWBFSGM-DIFFPNOSSA-N 0 0 384.396 2.972 20 5 GFBDRN C[C@@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480275 608433208 /nfs/dbraw/zinc/43/32/08/608433208.db2.gz VEDVBGUYLCVXNO-GFCCVEGCSA-N 0 0 398.448 2.886 20 5 GFBDRN C[C@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824480277 608433351 /nfs/dbraw/zinc/43/33/51/608433351.db2.gz VEDVBGUYLCVXNO-LBPRGKRZSA-N 0 0 398.448 2.886 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[nH]n2)c1F ZINC000826420965 608440369 /nfs/dbraw/zinc/44/03/69/608440369.db2.gz LIJNIHINDFAZCK-UHFFFAOYSA-N 0 0 389.368 2.750 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1sccc1-c1nn[nH]n1 ZINC000826453408 608841340 /nfs/dbraw/zinc/84/13/40/608841340.db2.gz JUACUIFCHDEBPA-UHFFFAOYSA-N 0 0 395.198 2.851 20 5 GFBDRN CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000825811769 609316267 /nfs/dbraw/zinc/31/62/67/609316267.db2.gz BKAZQNFVVLHJGL-UHFFFAOYSA-N 0 0 392.297 2.669 20 5 GFBDRN O=C(OCc1cccc(-c2nn[nH]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826466217 609353389 /nfs/dbraw/zinc/35/33/89/609353389.db2.gz TVTZAWHQLFLYJH-UHFFFAOYSA-N 0 0 375.291 2.610 20 5 GFBDRN C[C@H]1C[C@@H](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884636 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ZINC000751440870 655827623 /nfs/dbraw/zinc/82/76/23/655827623.db2.gz IWDWOHWYWBFWTC-NSHDSACASA-N 0 0 392.767 2.538 20 5 GFBDRN CCN(CC)C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751691067 655832744 /nfs/dbraw/zinc/83/27/44/655832744.db2.gz HDSDTWPYEGOLPN-QMMMGPOBSA-N 0 0 391.193 2.910 20 5 GFBDRN CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000752213656 655840716 /nfs/dbraw/zinc/84/07/16/655840716.db2.gz PITGJJFHRKRFGI-NXEZZACHSA-N 0 0 381.328 2.736 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000752230934 655841080 /nfs/dbraw/zinc/84/10/80/655841080.db2.gz VHZKIVNDFSWEMG-UHFFFAOYSA-N 0 0 384.797 2.764 20 5 GFBDRN CCOC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000753378509 655853363 /nfs/dbraw/zinc/85/33/63/655853363.db2.gz UGWNUUVHAAIKJT-GFCCVEGCSA-N 0 0 378.834 2.504 20 5 GFBDRN Cc1c(Br)cc(C(=O)OCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000753434677 655854545 /nfs/dbraw/zinc/85/45/45/655854545.db2.gz VVNMBGDZVDLDAD-UHFFFAOYSA-N 0 0 385.214 2.881 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)c1ccccc1Br)CC2 ZINC000754217597 655865183 /nfs/dbraw/zinc/86/51/83/655865183.db2.gz XKWPAUKDQOQAJZ-MRXNPFEDSA-N 0 0 378.226 2.844 20 5 GFBDRN NC(=O)c1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000754631226 655870574 /nfs/dbraw/zinc/87/05/74/655870574.db2.gz MPCNLLLYHRHOHK-UHFFFAOYSA-N 0 0 396.172 2.525 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC(Oc2ccncc2)C1 ZINC000754995555 655878067 /nfs/dbraw/zinc/87/80/67/655878067.db2.gz FMIUPFNQLVCWFX-UHFFFAOYSA-N 0 0 396.172 2.795 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC(OCC(F)F)C1 ZINC000755015781 655878565 /nfs/dbraw/zinc/87/85/65/655878565.db2.gz HSRKNHNKISCIOW-UHFFFAOYSA-N 0 0 383.120 2.603 20 5 GFBDRN COC(=O)CC1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000755024385 655878608 /nfs/dbraw/zinc/87/86/08/655878608.db2.gz NZWWTTMCUYFWOZ-UHFFFAOYSA-N 0 0 386.202 2.965 20 5 GFBDRN COCCOC[C@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024723 655878754 /nfs/dbraw/zinc/87/87/54/655878754.db2.gz HVWYCYSSXQNOMP-VIFPVBQESA-N 0 0 376.207 2.530 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000755967525 655891998 /nfs/dbraw/zinc/89/19/98/655891998.db2.gz NCMHPYOYPFIVBI-CCGUKBGLSA-N 0 0 386.426 2.511 20 5 GFBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000756130558 655895469 /nfs/dbraw/zinc/89/54/69/655895469.db2.gz MKDDMZMOCREJED-SECBINFHSA-N 0 0 397.204 2.860 20 5 GFBDRN CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000756973647 655908067 /nfs/dbraw/zinc/90/80/67/655908067.db2.gz UJKDVVKYXSEEAK-AWEZNQCLSA-N 0 0 381.841 2.713 20 5 GFBDRN CS(=O)(=O)NCC[C@H]1CCCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757768473 655916351 /nfs/dbraw/zinc/91/63/51/655916351.db2.gz SGVKGJMTLSEEDU-LLVKDONJSA-N 0 0 384.483 2.503 20 5 GFBDRN NC(=O)[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000758115631 655923251 /nfs/dbraw/zinc/92/32/51/655923251.db2.gz 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ZINC000759177207 655950131 /nfs/dbraw/zinc/95/01/31/655950131.db2.gz NJOCOCAYYQHXPE-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cn1nc(Br)cc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000759671163 655960998 /nfs/dbraw/zinc/96/09/98/655960998.db2.gz KXOPOJMFMOMUQV-LBPRGKRZSA-N 0 0 395.213 2.527 20 5 GFBDRN O=C(C[C@@H]1CSCCS1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000759798788 655963582 /nfs/dbraw/zinc/96/35/82/655963582.db2.gz DIVWWVBCPBENOM-GFCCVEGCSA-N 0 0 381.435 2.927 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](CC)[C@H](O)C2)cc1Br ZINC000760267274 655974086 /nfs/dbraw/zinc/97/40/86/655974086.db2.gz CPOUULNKTYCJKR-YMTOWFKASA-N 0 0 387.230 2.741 20 5 GFBDRN CN(c1cccc(O)c1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760356220 655976966 /nfs/dbraw/zinc/97/69/66/655976966.db2.gz LPFXBRIVVWJJKN-UHFFFAOYSA-N 0 0 387.211 2.888 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)cn1C ZINC000760551822 655984758 /nfs/dbraw/zinc/98/47/58/655984758.db2.gz QADZALRIODZQID-UHFFFAOYSA-N 0 0 388.785 2.531 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccnc(Cl)c2)c1 ZINC000760604459 655987517 /nfs/dbraw/zinc/98/75/17/655987517.db2.gz PWSHLVXDBMLAJA-UHFFFAOYSA-N 0 0 387.870 2.855 20 5 GFBDRN O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1Br ZINC000760872764 655993935 /nfs/dbraw/zinc/99/39/35/655993935.db2.gz IHBKPCKVCQCSLP-GFCCVEGCSA-N 0 0 397.200 2.830 20 5 GFBDRN CN(Cc1cnn(-c2ccccc2)n1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000761881001 656023193 /nfs/dbraw/zinc/02/31/93/656023193.db2.gz JDAGUCHHLXFHDS-UHFFFAOYSA-N 0 0 389.213 2.969 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1C ZINC000762524635 656046050 /nfs/dbraw/zinc/04/60/50/656046050.db2.gz ILMCTZLEYAIMOF-VNHYZAJKSA-N 0 0 388.536 2.870 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762529097 656046663 /nfs/dbraw/zinc/04/66/63/656046663.db2.gz ZXBFWUUFGLHYAC-CDMKHQONSA-N 0 0 394.927 2.906 20 5 GFBDRN O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762622825 656051849 /nfs/dbraw/zinc/05/18/49/656051849.db2.gz MJOMKHUDBLJKDJ-VHDGCEQUSA-N 0 0 382.511 2.686 20 5 GFBDRN O=C(OCC(Cl)(Cl)Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000763018302 656068533 /nfs/dbraw/zinc/06/85/33/656068533.db2.gz FJQZIGFHHKRLQL-ZETCQYMHSA-N 0 0 385.587 2.706 20 5 GFBDRN NC(=O)[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000763611728 656088128 /nfs/dbraw/zinc/08/81/28/656088128.db2.gz OPDIKXDGFGSNGX-HNNXBMFYSA-N 0 0 393.193 2.670 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccncc1Br ZINC000764142821 656102250 /nfs/dbraw/zinc/10/22/50/656102250.db2.gz QRLJVQYTHACGKX-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccncc1Br ZINC000764144396 656102424 /nfs/dbraw/zinc/10/24/24/656102424.db2.gz FYQQUHPGCZKWPQ-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN Cc1c(OC(=O)c2cc(Br)c(C)n(C)c2=O)cccc1[N+](=O)[O-] ZINC000764779520 656119493 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O=C(OC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1I ZINC000766312443 656168265 /nfs/dbraw/zinc/16/82/65/656168265.db2.gz SMTYGFBQYFRPRK-SECBINFHSA-N 0 0 391.161 2.783 20 5 GFBDRN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000766565872 656176424 /nfs/dbraw/zinc/17/64/24/656176424.db2.gz QDWTZZDLACVDSI-ZCFIWIBFSA-N 0 0 391.165 2.977 20 5 GFBDRN COC(=O)c1sc(C)cc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766804658 656184259 /nfs/dbraw/zinc/18/42/59/656184259.db2.gz LUPXAEVFFNBTCJ-UHFFFAOYSA-N 0 0 385.419 2.703 20 5 GFBDRN O=C(CSc1cccc(Br)c1)OCCn1cc([N+](=O)[O-])cn1 ZINC000767024990 656191462 /nfs/dbraw/zinc/19/14/62/656191462.db2.gz URXIKBYODHXYPP-UHFFFAOYSA-N 0 0 386.227 2.889 20 5 GFBDRN COC(=O)/C=C\c1ccc(OCCn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000767098869 656194106 /nfs/dbraw/zinc/19/41/06/656194106.db2.gz FNQYPQVZQQEUEG-DAXSKMNVSA-N 0 0 396.197 2.819 20 5 GFBDRN CCN(C)C(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000767770756 656219160 /nfs/dbraw/zinc/21/91/60/656219160.db2.gz 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ZINC000848003508 661620317 /nfs/dbraw/zinc/62/03/17/661620317.db2.gz KRRBOTNEXSSDCQ-UHFFFAOYSA-N 0 0 398.217 2.764 20 5 GFBDRN CC(C)n1cc(OS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000848463354 661651690 /nfs/dbraw/zinc/65/16/90/661651690.db2.gz GZWULJYNZYDYHJ-UHFFFAOYSA-N 0 0 390.215 2.902 20 5 GFBDRN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC=C(Br)C1 ZINC000848487818 661655132 /nfs/dbraw/zinc/65/51/32/661655132.db2.gz XQKIEKZGEJNEBT-OAHLLOKOSA-N 0 0 380.242 2.853 20 5 GFBDRN COC1CC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000849412435 661718950 /nfs/dbraw/zinc/71/89/50/661718950.db2.gz NWWSBCGRLSESLE-UHFFFAOYSA-N 0 0 383.253 2.995 20 5 GFBDRN C[C@@]12COC[C@]1(C)CN(S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C2 ZINC000849439347 661724606 /nfs/dbraw/zinc/72/46/06/661724606.db2.gz MWBVCLQXWCQYMU-OKILXGFUSA-N 0 0 395.264 2.949 20 5 GFBDRN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])O1 ZINC000849460414 661729837 /nfs/dbraw/zinc/72/98/37/661729837.db2.gz 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O=[N+]([O-])c1c(NCCC[C@@H]2CC2(Cl)Cl)ncnc1N1CCOCC1 ZINC000856769303 662043382 /nfs/dbraw/zinc/04/33/82/662043382.db2.gz XVLXVQFAJYRDTC-SNVBAGLBSA-N 0 0 376.244 2.607 20 5 GFBDRN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccsc2Br)cc1 ZINC000858138774 662100712 /nfs/dbraw/zinc/10/07/12/662100712.db2.gz KFKSRNLOXPZGPE-CHWSQXEVSA-N 0 0 387.255 2.603 20 5 GFBDRN O=C(NCC1N=NC(=S)N1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000859223593 662146163 /nfs/dbraw/zinc/14/61/63/662146163.db2.gz COZGORACKMECDA-UHFFFAOYSA-N 0 0 398.242 2.502 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](CCF)C2)c1Cl ZINC000859358014 662156287 /nfs/dbraw/zinc/15/62/87/662156287.db2.gz QQXNSLHAYBXJDX-MRVPVSSYSA-N 0 0 387.216 2.651 20 5 GFBDRN COC(=O)CCCCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000859582065 662168507 /nfs/dbraw/zinc/16/85/07/662168507.db2.gz DVWQNWCLCBQCEC-UHFFFAOYSA-N 0 0 378.150 2.997 20 5 GFBDRN CO[C@@H](C)c1noc(COC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000859999208 662181576 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O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000173226643 552080171 /nfs/dbraw/zinc/08/01/71/552080171.db2.gz UGILDABBVRYHMR-UHFFFAOYSA-N 0 0 378.801 2.526 20 5 GFBDRN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000173374430 552084668 /nfs/dbraw/zinc/08/46/68/552084668.db2.gz SVBNKHHXGHQGBC-OAHLLOKOSA-N 0 0 385.467 2.972 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000173466448 552086021 /nfs/dbraw/zinc/08/60/21/552086021.db2.gz ALCRXYYKKBRDTG-AWEZNQCLSA-N 0 0 383.451 2.798 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000173488304 552086834 /nfs/dbraw/zinc/08/68/34/552086834.db2.gz NBISLCNAYCXCAO-AWEZNQCLSA-N 0 0 383.451 2.798 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000173535972 552087769 /nfs/dbraw/zinc/08/77/69/552087769.db2.gz PUBDNEKWFGFKIZ-STQMWFEESA-N 0 0 384.845 2.907 20 5 GFBDRN CN(c1nccs1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000174017121 552096933 /nfs/dbraw/zinc/09/69/33/552096933.db2.gz PBDUFHXIFNOQLS-UHFFFAOYSA-N 0 0 378.229 2.639 20 5 GFBDRN O=[N+]([O-])c1cnn(CCN2CCO[C@@H](c3ccccc3Br)C2)c1 ZINC000174840043 552111579 /nfs/dbraw/zinc/11/15/79/552111579.db2.gz HDAJPOGVSLNDJP-OAHLLOKOSA-N 0 0 381.230 2.627 20 5 GFBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175427454 552121945 /nfs/dbraw/zinc/12/19/45/552121945.db2.gz WSEJQKRVUMUDMI-WYVULQQZSA-N 0 0 388.492 2.775 20 5 GFBDRN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000175528917 552124108 /nfs/dbraw/zinc/12/41/08/552124108.db2.gz HSUOAGONXQCFFA-ZDUSSCGKSA-N 0 0 382.214 2.983 20 5 GFBDRN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000175547928 552124325 /nfs/dbraw/zinc/12/43/25/552124325.db2.gz PPFIWUGBYIVZGV-SECBINFHSA-N 0 0 390.197 2.891 20 5 GFBDRN O=C(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Nc1ccncc1 ZINC000178491682 552171186 /nfs/dbraw/zinc/17/11/86/552171186.db2.gz DMHLRVXDVLJADQ-UHFFFAOYSA-N 0 0 393.197 2.511 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c(Br)cccc2C1 ZINC000179206043 552186558 /nfs/dbraw/zinc/18/65/58/552186558.db2.gz BERXHHALXBLSSV-UHFFFAOYSA-N 0 0 378.226 2.577 20 5 GFBDRN C[C@@H]1CSCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000179245635 552187924 /nfs/dbraw/zinc/18/79/24/552187924.db2.gz KVKNGCIAGFKHJO-MRVPVSSYSA-N 0 0 392.218 2.777 20 5 GFBDRN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000179236164 552188029 /nfs/dbraw/zinc/18/80/29/552188029.db2.gz VUHYEGYMSUPXIL-UHFFFAOYSA-N 0 0 381.357 2.891 20 5 GFBDRN O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1Br ZINC000180590315 552230807 /nfs/dbraw/zinc/23/08/07/552230807.db2.gz DGUQYPRTIJTDIK-KRWDZBQOSA-N 0 0 391.221 2.921 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCCOc1ccc(Br)cc1 ZINC000180988650 552242547 /nfs/dbraw/zinc/24/25/47/552242547.db2.gz DYGUQIREFRESHY-UHFFFAOYSA-N 0 0 380.198 2.748 20 5 GFBDRN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccc(Br)c1 ZINC000181127845 552247489 /nfs/dbraw/zinc/24/74/89/552247489.db2.gz IUUBIZNOTGRKOA-CYBMUJFWSA-N 0 0 395.209 2.586 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(Cc3ccccn3)CC2)s1 ZINC000181503256 552258208 /nfs/dbraw/zinc/25/82/08/552258208.db2.gz BWQKXWSFSYDDCX-UHFFFAOYSA-N 0 0 381.479 2.914 20 5 GFBDRN Cc1nc(C(C)(C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000182193975 552277612 /nfs/dbraw/zinc/27/76/12/552277612.db2.gz NVECWVYBCGVEBD-UHFFFAOYSA-N 0 0 383.495 2.967 20 5 GFBDRN C[C@@H](CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000182221368 552278170 /nfs/dbraw/zinc/27/81/70/552278170.db2.gz RUYJWENFJRHWMO-VIFPVBQESA-N 0 0 382.829 2.905 20 5 GFBDRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000182341029 552281229 /nfs/dbraw/zinc/28/12/29/552281229.db2.gz ITSKXOZUKPMXGN-UHFFFAOYSA-N 0 0 381.841 2.848 20 5 GFBDRN Cc1cnc([C@H](C)CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000183373302 552307251 /nfs/dbraw/zinc/30/72/51/552307251.db2.gz NZGUWXVKENHAHW-MRVPVSSYSA-N 0 0 382.829 2.872 20 5 GFBDRN COc1cc(OCC(=O)N(C)c2ncccc2Br)ccc1[N+](=O)[O-] ZINC000183405010 552308587 /nfs/dbraw/zinc/30/85/87/552308587.db2.gz KRFPTGHATRTDBE-UHFFFAOYSA-N 0 0 396.197 2.803 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000183764610 552318498 /nfs/dbraw/zinc/31/84/98/552318498.db2.gz JPXWFDYREQLDRQ-UHFFFAOYSA-N 0 0 397.204 2.586 20 5 GFBDRN COc1cc(Cn2cc(Br)c(OC)cc2=O)c([N+](=O)[O-])cc1F ZINC000183979536 552324200 /nfs/dbraw/zinc/32/42/00/552324200.db2.gz IZEQGZFMOLSPHL-UHFFFAOYSA-N 0 0 387.161 2.724 20 5 GFBDRN CCCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000184763642 552344327 /nfs/dbraw/zinc/34/43/27/552344327.db2.gz OINQSIKNEPBNEH-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCSC[C@H]2c2nccs2)c1 ZINC000185410255 552362821 /nfs/dbraw/zinc/36/28/21/552362821.db2.gz ZMIOWHWVHOQRDF-ZDUSSCGKSA-N 0 0 385.492 2.671 20 5 GFBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185889302 552373474 /nfs/dbraw/zinc/37/34/74/552373474.db2.gz KVAZSEKXLUDRLD-OIRASMEMSA-N 0 0 382.463 2.714 20 5 GFBDRN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000185902740 552373831 /nfs/dbraw/zinc/37/38/31/552373831.db2.gz QFSMKXXCSHKNPR-UHFFFAOYSA-N 0 0 386.191 2.637 20 5 GFBDRN CC(C)(C)OCc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])no1 ZINC000186467613 552388782 /nfs/dbraw/zinc/38/87/82/552388782.db2.gz MRLUEMAXCXJPBB-UHFFFAOYSA-N 0 0 389.455 2.975 20 5 GFBDRN O=C(COc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000186596901 552391953 /nfs/dbraw/zinc/39/19/53/552391953.db2.gz KERYAACBZSLHLK-VIFPVBQESA-N 0 0 380.706 2.749 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(Br)c(F)cc1F ZINC000189070197 552462559 /nfs/dbraw/zinc/46/25/59/552462559.db2.gz NKHMJVGARKPRMZ-UHFFFAOYSA-N 0 0 390.144 2.654 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000190070764 552486876 /nfs/dbraw/zinc/48/68/76/552486876.db2.gz JPKYUXAFQBYUGJ-UHFFFAOYSA-N 0 0 381.479 2.784 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2)n1 ZINC000191450600 552528820 /nfs/dbraw/zinc/52/88/20/552528820.db2.gz ZRJIAIAFPXUJNR-UHFFFAOYSA-N 0 0 386.149 2.668 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2(c3ccc(Br)cc3)CC2)n1 ZINC000191556677 552531460 /nfs/dbraw/zinc/53/14/60/552531460.db2.gz YLGGBGGTNYMIBP-UHFFFAOYSA-N 0 0 379.214 2.993 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000191796836 552538365 /nfs/dbraw/zinc/53/83/65/552538365.db2.gz ZCWLKNZJMOIKNB-XMMPIXPASA-N 0 0 382.463 2.891 20 5 GFBDRN COC(=O)[C@@H](C)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000192086622 552550197 /nfs/dbraw/zinc/55/01/97/552550197.db2.gz FZAPSOCBRBFQDD-SECBINFHSA-N 0 0 385.214 2.914 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000192730776 552972394 /nfs/dbraw/zinc/97/23/94/552972394.db2.gz KIFADFJVXIHHAC-UHFFFAOYSA-N 0 0 396.197 2.936 20 5 GFBDRN COC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000193395779 552992247 /nfs/dbraw/zinc/99/22/47/552992247.db2.gz JDTHLHRCGCRVCV-QMMMGPOBSA-N 0 0 392.193 2.615 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193762660 553002826 /nfs/dbraw/zinc/00/28/26/553002826.db2.gz CTKTWOBIKZCEDU-UHFFFAOYSA-N 0 0 376.287 2.903 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000245554463 553092754 /nfs/dbraw/zinc/09/27/54/553092754.db2.gz RCNQWEXXQYOKQL-NILFDRSVSA-N 0 0 386.857 2.793 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247656900 553124772 /nfs/dbraw/zinc/12/47/72/553124772.db2.gz YPSYZVNVWGXPBB-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247795026 553125601 /nfs/dbraw/zinc/12/56/01/553125601.db2.gz ZNEMZDRAYBDLQK-SMDDNHRTSA-N 0 0 384.845 2.717 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247881056 553126534 /nfs/dbraw/zinc/12/65/34/553126534.db2.gz BRTOTGWHYSFULK-LRDDRELGSA-N 0 0 388.873 2.872 20 5 GFBDRN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC[C@H]2c2nccs2)c1 ZINC000248696520 553133221 /nfs/dbraw/zinc/13/32/21/553133221.db2.gz JWQAWOYYVAQODG-ZFWWWQNUSA-N 0 0 381.479 2.581 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000261811712 553159719 /nfs/dbraw/zinc/15/97/19/553159719.db2.gz OWLXMQLORHUAOJ-MRXNPFEDSA-N 0 0 381.841 2.583 20 5 GFBDRN CCN(CC)S(=O)(=O)CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473512112 564248800 /nfs/dbraw/zinc/24/88/00/564248800.db2.gz GSRXCLZSVPSJGZ-UHFFFAOYSA-N 0 0 394.291 2.749 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1NCCCc1nccs1 ZINC000418859956 563228942 /nfs/dbraw/zinc/22/89/42/563228942.db2.gz CMDBCFGCCZSXHB-UHFFFAOYSA-N 0 0 390.206 2.518 20 5 GFBDRN CC(C)(C)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCO1 ZINC000418942706 563230717 /nfs/dbraw/zinc/23/07/17/563230717.db2.gz YFRJJLXMBHKNQV-NSHDSACASA-N 0 0 391.209 2.846 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000295311876 563241991 /nfs/dbraw/zinc/24/19/91/563241991.db2.gz AKHXOHSFMQKNKW-UHFFFAOYSA-N 0 0 382.218 2.837 20 5 GFBDRN CSCC[C@@H]1NC(=S)N(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1=O ZINC000278256093 563247240 /nfs/dbraw/zinc/24/72/40/563247240.db2.gz NAZWQDZFMKVFMH-NSHDSACASA-N 0 0 393.412 2.952 20 5 GFBDRN CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295516731 563251851 /nfs/dbraw/zinc/25/18/51/563251851.db2.gz UKUWTGMGEUWLAM-UHFFFAOYSA-N 0 0 397.236 2.618 20 5 GFBDRN Cc1n[nH]cc1CCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295806898 563263349 /nfs/dbraw/zinc/26/33/49/563263349.db2.gz BJVRIOKJYXLZFH-UHFFFAOYSA-N 0 0 393.252 2.844 20 5 GFBDRN CN(C)c1cc2c(nn1)CCN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000371079546 563264253 /nfs/dbraw/zinc/26/42/53/563264253.db2.gz XZUIMNDRFXZOHZ-UHFFFAOYSA-N 0 0 378.230 2.776 20 5 GFBDRN CC(=O)N[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000420619487 563268651 /nfs/dbraw/zinc/26/86/51/563268651.db2.gz FLIOZSCHZBGZAJ-NSHDSACASA-N 0 0 379.214 2.620 20 5 GFBDRN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420727153 563279472 /nfs/dbraw/zinc/27/94/72/563279472.db2.gz OBEZTFRXFIOYJW-WDEREUQCSA-N 0 0 390.483 2.645 20 5 GFBDRN CC[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000420725024 563279691 /nfs/dbraw/zinc/27/96/91/563279691.db2.gz LLYBNDSQEXOZIO-PWSUYJOCSA-N 0 0 393.259 2.593 20 5 GFBDRN CN(CCOCC1CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296402744 563286013 /nfs/dbraw/zinc/28/60/13/563286013.db2.gz TZPFXWVWIPJEBQ-UHFFFAOYSA-N 0 0 383.253 2.949 20 5 GFBDRN CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000296473019 563288667 /nfs/dbraw/zinc/28/86/67/563288667.db2.gz QOLPJSWCHDVDEO-VIFPVBQESA-N 0 0 376.196 2.814 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(C1)CCOCC2 ZINC000371900754 563290474 /nfs/dbraw/zinc/29/04/74/563290474.db2.gz FCPAGNVJBWHOSX-UHFFFAOYSA-N 0 0 383.242 2.929 20 5 GFBDRN 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563822121 /nfs/dbraw/zinc/82/21/21/563822121.db2.gz KXPBGQHZIMPRHP-SECBINFHSA-N 0 0 395.217 2.887 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)C1(Cc2ccccc2Br)CC1 ZINC000293741349 563823226 /nfs/dbraw/zinc/82/32/26/563823226.db2.gz PYVFFOKOKAANMK-UHFFFAOYSA-N 0 0 393.241 2.693 20 5 GFBDRN CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416418073 563825970 /nfs/dbraw/zinc/82/59/70/563825970.db2.gz ZOENCDVXHSZYPV-KOLCDFICSA-N 0 0 384.376 2.689 20 5 GFBDRN C[C@@H]1CCCc2nc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000416468218 563833481 /nfs/dbraw/zinc/83/34/81/563833481.db2.gz XYRKIRLHJCCQQJ-SNVBAGLBSA-N 0 0 384.845 2.821 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cn1 ZINC000444640371 563834789 /nfs/dbraw/zinc/83/47/89/563834789.db2.gz RMGRJUPZXOOVSJ-UHFFFAOYSA-N 0 0 376.170 2.559 20 5 GFBDRN Cn1cc([C@@H]2C[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000367403807 563843734 /nfs/dbraw/zinc/84/37/34/563843734.db2.gz CORIVTULGFAEFD-QWHCGFSZSA-N 0 0 380.198 2.938 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000416536335 563844587 /nfs/dbraw/zinc/84/45/87/563844587.db2.gz PMFVRLIWUJSYIS-SCZZXKLOSA-N 0 0 393.259 2.512 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2(C3CC3)CCOCC2)cc1Cl ZINC000367706066 563852874 /nfs/dbraw/zinc/85/28/74/563852874.db2.gz NFPUYUQFMGMBIU-UHFFFAOYSA-N 0 0 378.809 2.625 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2cccc(CSC)c2)cc1[N+](=O)[O-] ZINC000445757033 563854483 /nfs/dbraw/zinc/85/44/83/563854483.db2.gz JLCNDVHMFMUPNY-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN COC1(C(F)(F)F)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000416642818 563857191 /nfs/dbraw/zinc/85/71/91/563857191.db2.gz GDLXJCKISANWCU-UHFFFAOYSA-N 0 0 382.360 2.635 20 5 GFBDRN COC[C@@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000446032427 563857428 /nfs/dbraw/zinc/85/74/28/563857428.db2.gz ZAYWJBAJHYUNAZ-GFCCVEGCSA-N 0 0 399.163 2.983 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)cc1Cl ZINC000368131560 563864710 /nfs/dbraw/zinc/86/47/10/563864710.db2.gz AROMQFOQKHNWGD-SNVBAGLBSA-N 0 0 388.808 2.610 20 5 GFBDRN CS(=O)(=O)CC[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000368167435 563865651 /nfs/dbraw/zinc/86/56/51/563865651.db2.gz QVSGTDOFYQSWNB-SNVBAGLBSA-N 0 0 392.275 2.546 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCCC[C@@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000368218683 563866703 /nfs/dbraw/zinc/86/67/03/563866703.db2.gz IMTDWTPYDUOCIT-HNNXBMFYSA-N 0 0 384.230 2.536 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@@H](C(=O)N(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417071360 563866947 /nfs/dbraw/zinc/86/69/47/563866947.db2.gz HOLXDNRXKRJDDO-SNVBAGLBSA-N 0 0 399.245 2.608 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000446696241 563867653 /nfs/dbraw/zinc/86/76/53/563867653.db2.gz KJXIYLAJBNLMSV-UHFFFAOYSA-N 0 0 383.191 2.594 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CCS[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000368282775 563868033 /nfs/dbraw/zinc/86/80/33/563868033.db2.gz GWFLQUFRCFZZBU-AWEZNQCLSA-N 0 0 379.463 2.537 20 5 GFBDRN CCCC[C@H](COC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447017631 563872530 /nfs/dbraw/zinc/87/25/30/563872530.db2.gz PRABLVMEZSUUJC-SNVBAGLBSA-N 0 0 395.275 2.841 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000368601347 563875573 /nfs/dbraw/zinc/87/55/73/563875573.db2.gz GDZDYBXNEVKNBF-KBPBESRZSA-N 0 0 386.857 2.747 20 5 GFBDRN C[C@H](CN1CCOCC1)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447655748 563883919 /nfs/dbraw/zinc/88/39/19/563883919.db2.gz FOYNIBUGZWWESD-GFCCVEGCSA-N 0 0 387.889 2.519 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2nc(-c3cccc(Br)c3)no2)nc1 ZINC000447814020 563887169 /nfs/dbraw/zinc/88/71/69/563887169.db2.gz VWBHENZJYPRDTD-UHFFFAOYSA-N 0 0 377.158 2.809 20 5 GFBDRN CC(C)(COc1ncccc1Br)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000448236974 563895267 /nfs/dbraw/zinc/89/52/67/563895267.db2.gz CZXGLRUUBYOHOE-UHFFFAOYSA-N 0 0 383.202 2.668 20 5 GFBDRN Cn1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc2cccnc21 ZINC000505165981 564177961 /nfs/dbraw/zinc/17/79/61/564177961.db2.gz OWXYIXKGQJQPNK-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN Cc1nn(C)c2c1N(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)CCO2 ZINC000538419506 564189779 /nfs/dbraw/zinc/18/97/79/564189779.db2.gz QZYYEUKQPCFOTF-UHFFFAOYSA-N 0 0 395.213 2.747 20 5 GFBDRN O=C(NCCCCn1cc(Br)cn1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000471281965 564191346 /nfs/dbraw/zinc/19/13/46/564191346.db2.gz IRSPYSYHEANMGS-UHFFFAOYSA-N 0 0 385.193 2.903 20 5 GFBDRN CCc1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000471367195 564193826 /nfs/dbraw/zinc/19/38/26/564193826.db2.gz SRKLZSNSFFXRKG-UHFFFAOYSA-N 0 0 396.245 2.957 20 5 GFBDRN O=c1c(Br)cn(Cc2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-] ZINC000506398243 564202300 /nfs/dbraw/zinc/20/23/00/564202300.db2.gz XLUWUPDZVWBUSW-UHFFFAOYSA-N 0 0 389.108 2.889 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000538879552 564203889 /nfs/dbraw/zinc/20/38/89/564203889.db2.gz AHIKHJFYNXEBII-CQSZACIVSA-N 0 0 380.198 2.524 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2cc(Cl)ccc2Br)n1 ZINC000539032486 564208967 /nfs/dbraw/zinc/20/89/67/564208967.db2.gz WBCKLVQYSLGQQK-UHFFFAOYSA-N 0 0 387.621 2.717 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCOc1ccc(Cl)cn1 ZINC000472302155 564219701 /nfs/dbraw/zinc/21/97/01/564219701.db2.gz PQOZIXQSUDNQDR-UHFFFAOYSA-N 0 0 392.220 2.654 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000564154145 564223043 /nfs/dbraw/zinc/22/30/43/564223043.db2.gz YPYOCIPWOOVMTN-GFCCVEGCSA-N 0 0 387.889 2.542 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cccc(O)c2Cl)CC1 ZINC000507563025 564232885 /nfs/dbraw/zinc/23/28/85/564232885.db2.gz GNYOUVYNMNENBA-UHFFFAOYSA-N 0 0 381.841 2.973 20 5 GFBDRN COc1ccc(CNC(=O)c2cc(Br)c(=O)[nH]c2C)cc1[N+](=O)[O-] ZINC000507803981 564243368 /nfs/dbraw/zinc/24/33/68/564243368.db2.gz CJPAPSBUDBLWRS-UHFFFAOYSA-N 0 0 396.197 2.705 20 5 GFBDRN Cc1c(Br)c(N2CC(=O)N(CCC(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000450698073 564244793 /nfs/dbraw/zinc/24/47/93/564244793.db2.gz OXGAWSSLSQSPKW-UHFFFAOYSA-N 0 0 397.151 2.619 20 5 GFBDRN CC[C@@H](CSC)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540322077 564244881 /nfs/dbraw/zinc/24/48/81/564244881.db2.gz FOTWSIYPRXQDMW-VIFPVBQESA-N 0 0 383.289 2.777 20 5 GFBDRN O=C(CNC(=O)c1ccc(Br)cc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473343303 564245039 /nfs/dbraw/zinc/24/50/39/564245039.db2.gz JFFIIHUVOSPYGN-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN Cc1ccc(C[C@@H](CO)CNc2c([N+](=O)[O-])ncn2C)cc1Br ZINC000450844917 564251249 /nfs/dbraw/zinc/25/12/49/564251249.db2.gz MKKHNCTUVBDNQL-GFCCVEGCSA-N 0 0 383.246 2.662 20 5 GFBDRN C[C@@H]1CN(CC(F)(F)F)CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450872178 564252024 /nfs/dbraw/zinc/25/20/24/564252024.db2.gz OFCXVYQMSKGKBB-SECBINFHSA-N 0 0 375.376 2.920 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000450865091 564252030 /nfs/dbraw/zinc/25/20/30/564252030.db2.gz RRWHVWKFBRRUPF-ZWNOBZJWSA-N 0 0 383.451 2.636 20 5 GFBDRN NS(=O)(=O)c1cccc(N[C@@H]2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000450867891 564252090 /nfs/dbraw/zinc/25/20/90/564252090.db2.gz VOFFZWNPUMQBGP-ZYHUDNBSSA-N 0 0 383.451 2.636 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000450864994 564252127 /nfs/dbraw/zinc/25/21/27/564252127.db2.gz RJOFDVPADVVDEW-GWCFXTLKSA-N 0 0 383.451 2.636 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCS(=O)(=O)CC1 ZINC000540773046 564256483 /nfs/dbraw/zinc/25/64/83/564256483.db2.gz UCSPKLVVKXJXIO-UHFFFAOYSA-N 0 0 386.495 2.748 20 5 GFBDRN Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000541290964 564273034 /nfs/dbraw/zinc/27/30/34/564273034.db2.gz UEGAUCLVGOCCKA-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000565473154 564282771 /nfs/dbraw/zinc/28/27/71/564282771.db2.gz TVECAHKZXVYWAV-LLVKDONJSA-N 0 0 377.813 2.761 20 5 GFBDRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509146252 564283206 /nfs/dbraw/zinc/28/32/06/564283206.db2.gz KXLIPOCVVKSGCV-NSHDSACASA-N 0 0 382.825 2.727 20 5 GFBDRN Cc1c(Br)c(N2CCC(N3CCCC3=O)CC2)ncc1[N+](=O)[O-] ZINC000541578004 564284574 /nfs/dbraw/zinc/28/45/74/564284574.db2.gz NTEDINMYYVMZFJ-UHFFFAOYSA-N 0 0 383.246 2.652 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000541717775 564287078 /nfs/dbraw/zinc/28/70/78/564287078.db2.gz HIKGRWAIPKOGOM-UHFFFAOYSA-N 0 0 383.813 2.844 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCOc2ncccc2Cl)c1 ZINC000541818894 564290026 /nfs/dbraw/zinc/29/00/26/564290026.db2.gz CCLIFNPHCWRVLH-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000541931949 564295608 /nfs/dbraw/zinc/29/56/08/564295608.db2.gz GCIBACRZPUTJOY-UHFFFAOYSA-N 0 0 390.874 2.712 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1ccc2ncsc2c1 ZINC000475573024 564312452 /nfs/dbraw/zinc/31/24/52/564312452.db2.gz HHBBCIBRMXJMMK-UHFFFAOYSA-N 0 0 379.419 2.692 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CSc2ccccc21 ZINC000451616040 564332216 /nfs/dbraw/zinc/33/22/16/564332216.db2.gz YHEPPXNEDXBOOR-NSHDSACASA-N 0 0 380.447 2.771 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451648207 564335214 /nfs/dbraw/zinc/33/52/14/564335214.db2.gz OQYGBNVCVKLLDF-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000476319985 564335251 /nfs/dbraw/zinc/33/52/51/564335251.db2.gz LQBWMMFIXGSEML-RKDXNWHRSA-N 0 0 379.360 2.576 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000451741211 564346736 /nfs/dbraw/zinc/34/67/36/564346736.db2.gz AXPIQQWQHZDZFO-ZDUSSCGKSA-N 0 0 390.870 2.972 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000476630130 564348599 /nfs/dbraw/zinc/34/85/99/564348599.db2.gz HZMMBSYIHKVEID-UHFFFAOYSA-N 0 0 385.243 2.957 20 5 GFBDRN C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000476639905 564349183 /nfs/dbraw/zinc/34/91/83/564349183.db2.gz UIOPPDJCKFMROE-LURJTMIESA-N 0 0 391.165 2.834 20 5 GFBDRN COC(=O)[C@H]1CC12CCN(c1ncc([N+](=O)[O-])c(C)c1Br)CC2 ZINC000543435567 564350501 /nfs/dbraw/zinc/35/05/01/564350501.db2.gz ZSHUOYPVWOLMTK-SNVBAGLBSA-N 0 0 384.230 2.840 20 5 GFBDRN Cc1cc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000477156765 564367162 /nfs/dbraw/zinc/36/71/62/564367162.db2.gz NLLFUFBPZSKSHM-UHFFFAOYSA-N 0 0 388.181 2.669 20 5 GFBDRN COC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452032900 564384794 /nfs/dbraw/zinc/38/47/94/564384794.db2.gz BORZPLJZVVZZGH-GFCCVEGCSA-N 0 0 386.246 2.797 20 5 GFBDRN COC(=O)CCN(Cc1cccc(Br)c1)c1c([N+](=O)[O-])ncn1C ZINC000477805900 564389064 /nfs/dbraw/zinc/38/90/64/564389064.db2.gz PHSQOWPCYBWIMG-UHFFFAOYSA-N 0 0 397.229 2.661 20 5 GFBDRN COC(=O)c1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000567805809 564390165 /nfs/dbraw/zinc/39/01/65/564390165.db2.gz CJKVCQMYUHMMJU-UHFFFAOYSA-N 0 0 385.785 2.539 20 5 GFBDRN 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/nfs/dbraw/zinc/78/83/07/564788307.db2.gz FRLFDWNUBSCWOX-UHFFFAOYSA-N 0 0 377.813 2.998 20 5 GFBDRN CCN(CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491542429 564792736 /nfs/dbraw/zinc/79/27/36/564792736.db2.gz DKUMLXNPELYFDU-UHFFFAOYSA-N 0 0 383.392 2.685 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(Br)cn1 ZINC000555510638 564795819 /nfs/dbraw/zinc/79/58/19/564795819.db2.gz DGMMYGJSIMBVKZ-HNNXBMFYSA-N 0 0 393.241 2.751 20 5 GFBDRN COc1c(S(=O)(=O)NCC(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493472430 564807791 /nfs/dbraw/zinc/80/77/91/564807791.db2.gz KVXMDPVZKWAOGI-UHFFFAOYSA-N 0 0 381.248 2.609 20 5 GFBDRN COCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)s1 ZINC000494027388 564815673 /nfs/dbraw/zinc/81/56/73/564815673.db2.gz MHWLKOZWKXEKRP-UHFFFAOYSA-N 0 0 389.275 2.764 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000462132362 564821944 /nfs/dbraw/zinc/82/19/44/564821944.db2.gz QEVRQJKFKGYNGM-NSHDSACASA-N 0 0 385.442 2.600 20 5 GFBDRN CC1(C)CC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000494352605 564825797 /nfs/dbraw/zinc/82/57/97/564825797.db2.gz VHFUXZDVINDZRN-LLVKDONJSA-N 0 0 393.259 2.593 20 5 GFBDRN CN(Cc1cnccn1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462353499 564835423 /nfs/dbraw/zinc/83/54/23/564835423.db2.gz RUQKAEXDANAKCR-UHFFFAOYSA-N 0 0 377.209 2.512 20 5 GFBDRN CC(C)CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1=O ZINC000494744141 564837860 /nfs/dbraw/zinc/83/78/60/564837860.db2.gz FUGDLYDZXGBVBH-LLVKDONJSA-N 0 0 398.257 2.686 20 5 GFBDRN CCOC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CC ZINC000462568332 564848618 /nfs/dbraw/zinc/84/86/18/564848618.db2.gz XXMBDGDEITWKML-ZANVPECISA-N 0 0 378.834 2.504 20 5 GFBDRN CCc1cnc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000462627402 564853105 /nfs/dbraw/zinc/85/31/05/564853105.db2.gz POXLPWNLDBFAEX-UHFFFAOYSA-N 0 0 375.859 2.788 20 5 GFBDRN O=C1CN(c2c(Br)cncc2[N+](=O)[O-])CCN1c1ccccc1 ZINC000462689696 564854710 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CC(C)NC(=O)CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000583240325 564882872 /nfs/dbraw/zinc/88/28/72/564882872.db2.gz YWDPIKLBEOWXDP-UHFFFAOYSA-N 0 0 375.256 2.548 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000557856846 564882997 /nfs/dbraw/zinc/88/29/97/564882997.db2.gz APBGKJPTVWZSMS-AWEZNQCLSA-N 0 0 388.804 2.789 20 5 GFBDRN Cc1cc(CC(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000557933642 564886013 /nfs/dbraw/zinc/88/60/13/564886013.db2.gz NFVRHXHTEYRYOJ-UHFFFAOYSA-N 0 0 395.257 3.000 20 5 GFBDRN CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617363 564889034 /nfs/dbraw/zinc/88/90/34/564889034.db2.gz ZDLXRPNGJVRXPQ-LBPRGKRZSA-N 0 0 389.886 2.891 20 5 GFBDRN CS(=O)(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498188839 564891223 /nfs/dbraw/zinc/89/12/23/564891223.db2.gz AMASNUIQTKNHHM-UHFFFAOYSA-N 0 0 392.361 2.914 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2F)c(Cl)c1 ZINC000530904429 564898229 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20 5 GFBDRN NC(=O)c1ccnc(N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000558593720 564908177 /nfs/dbraw/zinc/90/81/77/564908177.db2.gz YITGSGKXHMCWDY-VXGBXAGGSA-N 0 0 377.198 2.819 20 5 GFBDRN COC(=O)c1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000558810319 564915588 /nfs/dbraw/zinc/91/55/88/564915588.db2.gz GBTTWMLBMSMELN-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000559182850 564926816 /nfs/dbraw/zinc/92/68/16/564926816.db2.gz WBROFJLABBUKJH-MNOVXSKESA-N 0 0 381.223 2.835 20 5 GFBDRN Cc1cc(I)cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000584235375 564926901 /nfs/dbraw/zinc/92/69/01/564926901.db2.gz QWDJCVHSBGMHJU-UHFFFAOYSA-N 0 0 398.160 2.737 20 5 GFBDRN CCOC(=O)c1cc(S(=O)(=O)NCCCSCC)cc([N+](=O)[O-])c1C ZINC000499745912 564935700 /nfs/dbraw/zinc/93/57/00/564935700.db2.gz YTOFQFZYFPNXJE-UHFFFAOYSA-N 0 0 390.483 2.501 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000499883983 564939444 /nfs/dbraw/zinc/93/94/44/564939444.db2.gz BDPKJKQQDBCXOE-ZDUSSCGKSA-N 0 0 383.495 2.505 20 5 GFBDRN C[C@@H]1CCCN(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560009917 564944582 /nfs/dbraw/zinc/94/45/82/564944582.db2.gz AHKISAJMWNCEFW-SECBINFHSA-N 0 0 378.248 2.746 20 5 GFBDRN C[C@H]1CCCN(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560009924 564944869 /nfs/dbraw/zinc/94/48/69/564944869.db2.gz AHKISAJMWNCEFW-VIFPVBQESA-N 0 0 378.248 2.746 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2c(n1)SCC2 ZINC000466727357 564945971 /nfs/dbraw/zinc/94/59/71/564945971.db2.gz HVGITNVGGQRRQI-UHFFFAOYSA-N 0 0 378.479 2.982 20 5 GFBDRN CN(CC(N)=O)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466781308 564948030 /nfs/dbraw/zinc/94/80/30/564948030.db2.gz ZVEQNRSSFQLUAF-UHFFFAOYSA-N 0 0 379.825 2.957 20 5 GFBDRN CN(CC[C@@H]1CCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000466848961 564948668 /nfs/dbraw/zinc/94/86/68/564948668.db2.gz LMEPVFKESFKIOK-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(CNC(=O)c1cccs1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560130179 564950966 /nfs/dbraw/zinc/95/09/66/564950966.db2.gz NKOSXWLCKCXMEN-UHFFFAOYSA-N 0 0 384.211 2.787 20 5 GFBDRN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560186463 564952283 /nfs/dbraw/zinc/95/22/83/564952283.db2.gz AWSIYKXSMFWALV-NOZJJQNGSA-N 0 0 384.230 2.991 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467048605 564954045 /nfs/dbraw/zinc/95/40/45/564954045.db2.gz UIXXTPLAXVXPPE-XJKSGUPXSA-N 0 0 381.479 2.688 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000467093980 564956280 /nfs/dbraw/zinc/95/62/80/564956280.db2.gz WXXCVOXNTNFPGX-LBPRGKRZSA-N 0 0 390.483 2.707 20 5 GFBDRN CC[C@@H](CSc1ccccc1)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533175521 564956995 /nfs/dbraw/zinc/95/69/95/564956995.db2.gz BUDCLCPNKDPCOG-LBPRGKRZSA-N 0 0 384.483 2.660 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000500626032 564958605 /nfs/dbraw/zinc/95/86/05/564958605.db2.gz GTGJBMAGEFGFRO-SWLSCSKDSA-N 0 0 386.495 2.501 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000467400812 564962721 /nfs/dbraw/zinc/96/27/21/564962721.db2.gz XHQSLZCIMWQWEZ-UHFFFAOYSA-N 0 0 375.516 2.707 20 5 GFBDRN O=C(NCCSCCCO)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501074691 564969439 /nfs/dbraw/zinc/96/94/39/564969439.db2.gz OCZDFACIEBKYDX-UHFFFAOYSA-N 0 0 378.248 2.594 20 5 GFBDRN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501101399 564970663 /nfs/dbraw/zinc/97/06/63/564970663.db2.gz STDAECUJZKVGCD-LBPRGKRZSA-N 0 0 396.201 2.998 20 5 GFBDRN C[C@@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000501117462 564971525 /nfs/dbraw/zinc/97/15/25/564971525.db2.gz AXTRQXAEBFDUGX-HXNGOWOSSA-N 0 0 378.248 2.636 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000468540351 564985800 /nfs/dbraw/zinc/98/58/00/564985800.db2.gz AYYKEIMVJMSSBN-UHFFFAOYSA-N 0 0 388.760 2.975 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000502593139 565001770 /nfs/dbraw/zinc/00/17/70/565001770.db2.gz SAILASHTHULROV-UHFFFAOYSA-N 0 0 387.889 2.638 20 5 GFBDRN O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)cc1 ZINC000469285715 565012479 /nfs/dbraw/zinc/01/24/79/565012479.db2.gz PMFRUUGFPFSNSW-UHFFFAOYSA-N 0 0 386.788 2.839 20 5 GFBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(Br)cc1 ZINC000536427037 565036808 /nfs/dbraw/zinc/03/68/08/565036808.db2.gz DLIWIORYLZVUOG-OAHLLOKOSA-N 0 0 395.209 2.586 20 5 GFBDRN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000536427025 565037054 /nfs/dbraw/zinc/03/70/54/565037054.db2.gz DLIWIORYLZVUOG-HNNXBMFYSA-N 0 0 395.209 2.586 20 5 GFBDRN CC[C@@H](Cc1ccccc1Br)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000470148039 565038995 /nfs/dbraw/zinc/03/89/95/565038995.db2.gz SBKYDYJTECITNA-ZDUSSCGKSA-N 0 0 395.257 3.000 20 5 GFBDRN O=C(NCCSCC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000536718233 565046015 /nfs/dbraw/zinc/04/60/15/565046015.db2.gz RMEHNWLMPISNRW-UHFFFAOYSA-N 0 0 385.751 2.598 20 5 GFBDRN COCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000584540561 565087095 /nfs/dbraw/zinc/08/70/95/565087095.db2.gz DEHNETZDQYGQBQ-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000586777392 565115685 /nfs/dbraw/zinc/11/56/85/565115685.db2.gz NLEBRXBMVSDUPS-PELKAZGASA-N 0 0 381.738 2.838 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN1c1ncccn1 ZINC000586835940 565119477 /nfs/dbraw/zinc/11/94/77/565119477.db2.gz HALFOCLVBFVDIW-ZDUSSCGKSA-N 0 0 392.213 2.755 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588144352 565129198 /nfs/dbraw/zinc/12/91/98/565129198.db2.gz FYPIPECSCRDLAA-LLVKDONJSA-N 0 0 390.870 2.673 20 5 GFBDRN Cn1c(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000590520527 565190814 /nfs/dbraw/zinc/19/08/14/565190814.db2.gz PWWJVMBUEHDRKO-UHFFFAOYSA-N 0 0 385.207 2.999 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCOCCO)C(C)C ZINC000590547210 565191590 /nfs/dbraw/zinc/19/15/90/565191590.db2.gz ZGCQSPPNGVDIDP-UHFFFAOYSA-N 0 0 389.246 2.525 20 5 GFBDRN COC(=O)CCSCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590667415 565195980 /nfs/dbraw/zinc/19/59/80/565195980.db2.gz VGTRVYYPYVZIMQ-UHFFFAOYSA-N 0 0 380.344 2.640 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC000592107397 565257314 /nfs/dbraw/zinc/25/73/14/565257314.db2.gz CZNQDXHKCZWKHS-LPEHRKFASA-N 0 0 375.244 2.824 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000618180370 565277437 /nfs/dbraw/zinc/27/74/37/565277437.db2.gz YLPISSBZTQOKFW-GFCCVEGCSA-N 0 0 382.825 2.790 20 5 GFBDRN Cn1nccc1[C@@H]1COCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593113368 565314138 /nfs/dbraw/zinc/31/41/38/565314138.db2.gz ZJNPADULYQIQSQ-HNNXBMFYSA-N 0 0 381.230 2.664 20 5 GFBDRN CCN1C[C@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1=O ZINC000593499079 565336319 /nfs/dbraw/zinc/33/63/19/565336319.db2.gz NMEVLDMCBSAGOW-JTQLQIEISA-N 0 0 393.241 2.608 20 5 GFBDRN Cc1c(Br)c(NCc2ncc3c(n2)CCOC3)ncc1[N+](=O)[O-] ZINC000593488562 565336624 /nfs/dbraw/zinc/33/66/24/565336624.db2.gz JPHRVZCXHCPALW-UHFFFAOYSA-N 0 0 380.202 2.536 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOc1ccccc1Cl ZINC000619493188 565344956 /nfs/dbraw/zinc/34/49/56/565344956.db2.gz KGVFEFACERTPQK-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN Cc1c(NC(=O)N2C[C@H](O)CC(F)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541259 565348222 /nfs/dbraw/zinc/34/82/22/565348222.db2.gz ATZOSYHKJOYHSP-SECBINFHSA-N 0 0 394.172 2.900 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593642603 565351695 /nfs/dbraw/zinc/35/16/95/565351695.db2.gz WHROGYOIXIEOFM-NSHDSACASA-N 0 0 381.841 2.994 20 5 GFBDRN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619787470 565360001 /nfs/dbraw/zinc/36/00/01/565360001.db2.gz ZNOFBSJEWZYTSR-UHFFFAOYSA-N 0 0 380.407 2.701 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594604034 565403227 /nfs/dbraw/zinc/40/32/27/565403227.db2.gz WSJLDKZIZHIXTL-ZWNOBZJWSA-N 0 0 382.360 2.910 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000594867352 565432917 /nfs/dbraw/zinc/43/29/17/565432917.db2.gz AVXIKRACCLPZCT-AWEZNQCLSA-N 0 0 386.426 2.866 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000595359561 565468557 /nfs/dbraw/zinc/46/85/57/565468557.db2.gz QBCJRFHACUSSLE-KPPDAEKUSA-N 0 0 378.397 2.938 20 5 GFBDRN CC(C)(C)OC(=O)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000595418465 565476444 /nfs/dbraw/zinc/47/64/44/565476444.db2.gz RBYKAWUZICLORV-NSHDSACASA-N 0 0 390.483 2.693 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596213088 565515241 /nfs/dbraw/zinc/51/52/41/565515241.db2.gz RBTIVVLHBJJYKU-SNVBAGLBSA-N 0 0 377.260 2.761 20 5 GFBDRN COC(=O)c1c(Cl)c(NCCC(C)(C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000596270848 565517695 /nfs/dbraw/zinc/51/76/95/565517695.db2.gz IUERXAUYYFLLGJ-UHFFFAOYSA-N 0 0 378.834 2.660 20 5 GFBDRN CC(C)(C)c1nnc2n1CCN(c1ncc([N+](=O)[O-])cc1Br)C2 ZINC000596558878 565527612 /nfs/dbraw/zinc/52/76/12/565527612.db2.gz LRFMYHZOALCOKE-UHFFFAOYSA-N 0 0 381.234 2.662 20 5 GFBDRN O=C(NCCO[C@@H]1CC1(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900203 565540771 /nfs/dbraw/zinc/54/07/71/565540771.db2.gz JMRUDTYUIBIWCX-SNVBAGLBSA-N 0 0 380.145 2.903 20 5 GFBDRN Nc1c(NC(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090158 565551385 /nfs/dbraw/zinc/55/13/85/565551385.db2.gz HZQWSBSTIWHFJM-KSBSHMNSSA-N 0 0 382.726 2.607 20 5 GFBDRN C[C@@]12COC[C@]1(C)CN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C2 ZINC000598068182 565592604 /nfs/dbraw/zinc/59/26/04/565592604.db2.gz VKVHKNXSJPARPC-BETUJISGSA-N 0 0 375.244 2.917 20 5 GFBDRN Cn1c(C(=O)N2CCN(c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] ZINC000598150486 565595880 /nfs/dbraw/zinc/59/58/80/565595880.db2.gz GJZAUIHRUGRQHR-UHFFFAOYSA-N 0 0 393.241 2.658 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000598194942 565601540 /nfs/dbraw/zinc/60/15/40/565601540.db2.gz UGSQPKAQJQHGAM-HNNXBMFYSA-N 0 0 392.209 2.966 20 5 GFBDRN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1(F)F ZINC000598218584 565602794 /nfs/dbraw/zinc/60/27/94/565602794.db2.gz MFXQQQUHVFUDJT-LLVKDONJSA-N 0 0 396.131 2.975 20 5 GFBDRN O=[N+]([O-])c1ccc(NCC[C@@H]2CC2(F)F)c(S(=O)(=O)N2CCCC2)c1 ZINC000598639569 565631274 /nfs/dbraw/zinc/63/12/74/565631274.db2.gz UHPQUCLVMBCMAN-LLVKDONJSA-N 0 0 375.397 2.837 20 5 GFBDRN Cn1cnnc1[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599062031 565655558 /nfs/dbraw/zinc/65/55/58/565655558.db2.gz PAOLMDOLMQDICM-JTQLQIEISA-N 0 0 394.229 2.506 20 5 GFBDRN COc1cccc([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])OC)c1 ZINC000599115988 565656494 /nfs/dbraw/zinc/65/64/94/565656494.db2.gz REULWROCGGHGNX-CYBMUJFWSA-N 0 0 386.451 2.868 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCc2nc(C3CC3)ncc2C1 ZINC000599161070 565659123 /nfs/dbraw/zinc/65/91/23/565659123.db2.gz RLDYWPPFLHXFDN-UHFFFAOYSA-N 0 0 376.214 2.982 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@H]1CCCOC1 ZINC000599364566 565672600 /nfs/dbraw/zinc/67/26/00/565672600.db2.gz LXXWMBVESUOCGX-SNVBAGLBSA-N 0 0 382.360 2.709 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000599379226 565674612 /nfs/dbraw/zinc/67/46/12/565674612.db2.gz FHAQTSPCWWQCLB-ZDUSSCGKSA-N 0 0 382.825 2.668 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCO[C@@H](C(F)(F)F)C1 ZINC000599541964 565687710 /nfs/dbraw/zinc/68/77/10/565687710.db2.gz UHCJPUXRXLADFF-SECBINFHSA-N 0 0 383.120 2.761 20 5 GFBDRN CC(C)c1nncn1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599538572 565687739 /nfs/dbraw/zinc/68/77/39/565687739.db2.gz PGUKOENFUHKVKY-UHFFFAOYSA-N 0 0 382.218 2.502 20 5 GFBDRN Cc1cc(C)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)c1Br ZINC000599696779 565696592 /nfs/dbraw/zinc/69/65/92/565696592.db2.gz KNRGERINYHRSKB-UHFFFAOYSA-N 0 0 381.230 2.909 20 5 GFBDRN Cc1c(NC(=O)c2cn3c(n2)COCC3)cc(Br)cc1[N+](=O)[O-] ZINC000599876059 565704359 /nfs/dbraw/zinc/70/43/59/565704359.db2.gz BVMUBRUSZVZQJI-UHFFFAOYSA-N 0 0 381.186 2.645 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000599838816 565704889 /nfs/dbraw/zinc/70/48/89/565704889.db2.gz BLIGXPZXUSJBGQ-NWDGAFQWSA-N 0 0 386.221 2.616 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(Br)cc3F)CC2)cn1 ZINC000600108890 565713752 /nfs/dbraw/zinc/71/37/52/565713752.db2.gz DAOBCLQANTYZHP-UHFFFAOYSA-N 0 0 396.220 2.609 20 5 GFBDRN Cc1cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)ncc1Br ZINC000600169264 565716083 /nfs/dbraw/zinc/71/60/83/565716083.db2.gz CEAOFLSQJMPWRJ-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN O=C(NC[C@H]1CCCN1CC(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000600262878 565719597 /nfs/dbraw/zinc/71/95/97/565719597.db2.gz VHXUTXKWPLQDGG-SNVBAGLBSA-N 0 0 392.200 2.817 20 5 GFBDRN CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000600489745 565732734 /nfs/dbraw/zinc/73/27/34/565732734.db2.gz FGRGMORDTUKUPI-UHFFFAOYSA-N 0 0 398.257 2.736 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000600815509 565751825 /nfs/dbraw/zinc/75/18/25/565751825.db2.gz VOLOMCYTOYXAOO-GFCCVEGCSA-N 0 0 383.857 2.610 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](n1cncn1)C(F)(F)F ZINC000601219262 565771810 /nfs/dbraw/zinc/77/18/10/565771810.db2.gz FUUJWJBJNAGJLX-MRVPVSSYSA-N 0 0 381.112 2.559 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C)c([N+](=O)[O-])s1 ZINC000601355882 565776694 /nfs/dbraw/zinc/77/66/94/565776694.db2.gz AKSUCGWKBONHRZ-UHFFFAOYSA-N 0 0 380.451 2.672 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CC[C@@H]1C(F)F ZINC000601603653 565794530 /nfs/dbraw/zinc/79/45/30/565794530.db2.gz LBMKYPJSLVNDQA-SECBINFHSA-N 0 0 382.104 2.679 20 5 GFBDRN COC[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000602357016 565841479 /nfs/dbraw/zinc/84/14/79/565841479.db2.gz VXQDZRNFARVQNZ-GFCCVEGCSA-N 0 0 387.230 2.529 20 5 GFBDRN C[C@@H](CS(C)(=O)=O)N(Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602469372 565849846 /nfs/dbraw/zinc/84/98/46/565849846.db2.gz QXTMCUOXQOAZIP-QMMMGPOBSA-N 0 0 397.316 2.816 20 5 GFBDRN CNC(=O)CC1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602475146 565849998 /nfs/dbraw/zinc/84/99/98/565849998.db2.gz WXGIMMXYGRBKQK-UHFFFAOYSA-N 0 0 376.276 2.767 20 5 GFBDRN COC(=O)CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602479105 565850894 /nfs/dbraw/zinc/85/08/94/565850894.db2.gz DYAKAVLOOJHBSK-UHFFFAOYSA-N 0 0 393.259 2.573 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CCn3c(nnc3C(F)F)C2)cc1Br ZINC000602715014 565865578 /nfs/dbraw/zinc/86/55/78/565865578.db2.gz LJELLWTZCVVCAF-UHFFFAOYSA-N 0 0 394.201 2.964 20 5 GFBDRN CC(=O)NC[C@@H]1CCCCN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602736818 565866685 /nfs/dbraw/zinc/86/66/85/565866685.db2.gz PRCNSLVOUBYLAF-JTQLQIEISA-N 0 0 376.276 2.909 20 5 GFBDRN COc1ccc(Cn2cc([N+](=O)[O-])cc(OC)c2=O)c(Br)c1OC ZINC000603356719 565900231 /nfs/dbraw/zinc/90/02/31/565900231.db2.gz 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/nfs/dbraw/zinc/01/28/04/656012804.db2.gz XSFQTISEZYGYAA-UHFFFAOYSA-N 0 0 382.825 2.887 20 5 GFBDRN COc1cc(Cl)c(Cl)cc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761410175 656014776 /nfs/dbraw/zinc/01/47/76/656014776.db2.gz CXTCRTKJEGTTMI-UHFFFAOYSA-N 0 0 387.175 2.929 20 5 GFBDRN Cc1c(Br)cccc1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000761428846 656015543 /nfs/dbraw/zinc/01/55/43/656015543.db2.gz ZOBVWULZLZNMER-UHFFFAOYSA-N 0 0 381.182 2.571 20 5 GFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000763613258 656088248 /nfs/dbraw/zinc/08/82/48/656088248.db2.gz VGRJKIFQGSYBQO-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000764741670 656118487 /nfs/dbraw/zinc/11/84/87/656118487.db2.gz BBPWKNAJEDPKFB-UHFFFAOYSA-N 0 0 397.181 2.592 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000764864481 656121870 /nfs/dbraw/zinc/12/18/70/656121870.db2.gz ZSLHXOHTUYVXBS-UHFFFAOYSA-N 0 0 381.182 2.892 20 5 GFBDRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1csc([N+](=O)[O-])c1 ZINC000765030240 656126882 /nfs/dbraw/zinc/12/68/82/656126882.db2.gz JBMAQWZZSIYAPV-UHFFFAOYSA-N 0 0 390.826 2.779 20 5 GFBDRN Cn1ncc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1Br ZINC000765034763 656127118 /nfs/dbraw/zinc/12/71/18/656127118.db2.gz KKRNHYPXPDRLOF-UHFFFAOYSA-N 0 0 391.185 2.529 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000765513952 656144430 /nfs/dbraw/zinc/14/44/30/656144430.db2.gz GQCMSCHBZDCQNJ-VHSXEESVSA-N 0 0 390.845 2.803 20 5 GFBDRN COC(=O)c1cc(F)c(C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000765769943 656151806 /nfs/dbraw/zinc/15/18/06/656151806.db2.gz ZHNXUBXGVXDHPX-UHFFFAOYSA-N 0 0 375.355 2.658 20 5 GFBDRN Cc1noc(C)c1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000765792095 656152452 /nfs/dbraw/zinc/15/24/52/656152452.db2.gz VNBUBUWLWMWEEO-UHFFFAOYSA-N 0 0 397.185 2.848 20 5 GFBDRN O=C(OCCOC1CCC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000765957481 656156395 /nfs/dbraw/zinc/15/63/95/656156395.db2.gz HVRSVSQLVOTUGV-UHFFFAOYSA-N 0 0 391.161 2.925 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCCN1C1CC1 ZINC000766208142 656165123 /nfs/dbraw/zinc/16/51/23/656165123.db2.gz WGPODYPKTYTPRL-CYBMUJFWSA-N 0 0 387.889 2.852 20 5 GFBDRN CC(C)(C)n1nnnc1COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000766226829 656165707 /nfs/dbraw/zinc/16/57/07/656165707.db2.gz ILXRCCGODSVIRU-UHFFFAOYSA-N 0 0 385.833 2.825 20 5 GFBDRN Cc1cc(S(=O)(=O)NCC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1F ZINC000766534004 656174877 /nfs/dbraw/zinc/17/48/77/656174877.db2.gz GGDCFAXWEKYEQO-UHFFFAOYSA-N 0 0 386.788 2.857 20 5 GFBDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000766568601 656176434 /nfs/dbraw/zinc/17/64/34/656176434.db2.gz CKZLDSRVWAASKG-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN O=C(N[C@H](CO)Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000767104883 656194222 /nfs/dbraw/zinc/19/42/22/656194222.db2.gz YBDGFFLCGWQABC-LBPRGKRZSA-N 0 0 397.200 2.830 20 5 GFBDRN Cc1cc(CN2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)no1 ZINC000768204395 656234627 /nfs/dbraw/zinc/23/46/27/656234627.db2.gz WRXDXVHLAFANGU-UHFFFAOYSA-N 0 0 395.257 2.972 20 5 GFBDRN CCOC(=O)[C@H]1CSCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768227361 656235218 /nfs/dbraw/zinc/23/52/18/656235218.db2.gz FXDQYPAURPYKHG-CYBMUJFWSA-N 0 0 389.271 2.838 20 5 GFBDRN C/C=C\C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)OCC ZINC000768495443 656240141 /nfs/dbraw/zinc/24/01/41/656240141.db2.gz ZLLFXBICQMJYEO-RNZFLTOJSA-N 0 0 390.845 2.733 20 5 GFBDRN COC(=O)c1cccc2c1CCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768815173 656252514 /nfs/dbraw/zinc/25/25/14/656252514.db2.gz VBXOCWKPICLVKS-UHFFFAOYSA-N 0 0 382.419 2.584 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000768841405 656255156 /nfs/dbraw/zinc/25/51/56/656255156.db2.gz ICFLPNPOFYDQFD-YGRLFVJLSA-N 0 0 386.426 2.946 20 5 GFBDRN C[C@@H](NC(=O)c1nccn2c(Br)cnc12)c1cccc([N+](=O)[O-])c1 ZINC000769712685 656287246 /nfs/dbraw/zinc/28/72/46/656287246.db2.gz LHWXFCXCHKCDNL-SECBINFHSA-N 0 0 390.197 2.891 20 5 GFBDRN O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000769832590 656293882 /nfs/dbraw/zinc/29/38/82/656293882.db2.gz KCKUEHZPBIPEMR-UHFFFAOYSA-N 0 0 383.129 2.931 20 5 GFBDRN CCCCCNC(=O)[C@@H](C)OC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769834599 656294059 /nfs/dbraw/zinc/29/40/59/656294059.db2.gz RDMYZACIMCMAFE-SECBINFHSA-N 0 0 388.218 2.604 20 5 GFBDRN CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769905977 656299453 /nfs/dbraw/zinc/29/94/53/656299453.db2.gz KNDWXDPVCYLDGA-GFCCVEGCSA-N 0 0 390.845 2.567 20 5 GFBDRN COc1cc(S(=O)(=O)Oc2cccnc2Br)ccc1[N+](=O)[O-] ZINC000769914168 656300257 /nfs/dbraw/zinc/30/02/57/656300257.db2.gz HWDWBSVDJUOVMY-UHFFFAOYSA-N 0 0 389.183 2.529 20 5 GFBDRN C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000770011732 656303593 /nfs/dbraw/zinc/30/35/93/656303593.db2.gz UDMCGFBDVLORPB-SECBINFHSA-N 0 0 375.834 2.678 20 5 GFBDRN O=C(NCCSCC(F)(F)F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770048094 656304628 /nfs/dbraw/zinc/30/46/28/656304628.db2.gz UILPLJHDZCTDJN-UHFFFAOYSA-N 0 0 385.751 2.598 20 5 GFBDRN CCNc1ncc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000770096544 656305703 /nfs/dbraw/zinc/30/57/03/656305703.db2.gz TUJGHJHPXWFHCX-UHFFFAOYSA-N 0 0 384.801 2.932 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000770297530 656315581 /nfs/dbraw/zinc/31/55/81/656315581.db2.gz DROUSMRQDKYIKC-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN CC[C@]1(C)COCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770711923 656327888 /nfs/dbraw/zinc/32/78/88/656327888.db2.gz ZIEIPGHXRWTVFC-CYBMUJFWSA-N 0 0 393.259 2.547 20 5 GFBDRN O=C(N[C@@H](CO)CC1CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000770982749 656336691 /nfs/dbraw/zinc/33/66/91/656336691.db2.gz CVMIUNRXMVELGI-SECBINFHSA-N 0 0 377.622 2.902 20 5 GFBDRN Cc1cc(S(=O)(=O)NCCSCC(F)(F)F)cc([N+](=O)[O-])c1F ZINC000771786534 656361956 /nfs/dbraw/zinc/36/19/56/656361956.db2.gz WPROUGTWPXOZNO-UHFFFAOYSA-N 0 0 376.353 2.616 20 5 GFBDRN NC(=O)CONC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000772927021 656394062 /nfs/dbraw/zinc/39/40/62/656394062.db2.gz SKJDNFNPWNHTOD-UHFFFAOYSA-N 0 0 381.797 2.546 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000773358809 656439967 /nfs/dbraw/zinc/43/99/67/656439967.db2.gz MRAIFGHXEHLCOW-NSHDSACASA-N 0 0 390.845 2.521 20 5 GFBDRN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cnn2cccnc12 ZINC000773368022 656441001 /nfs/dbraw/zinc/44/10/01/656441001.db2.gz OXLNFWAMDIHKKS-UHFFFAOYSA-N 0 0 377.154 2.757 20 5 GFBDRN COc1ccc(NC(=O)COC(=O)c2ccoc2Br)c([N+](=O)[O-])c1 ZINC000773540866 656458415 /nfs/dbraw/zinc/45/84/15/656458415.db2.gz QFLUVONCWCTSAS-UHFFFAOYSA-N 0 0 399.153 2.754 20 5 GFBDRN CC(C)N1CC[C@H](OC(=O)c2sc(Br)cc2[N+](=O)[O-])C1=O ZINC000773605137 656461956 /nfs/dbraw/zinc/46/19/56/656461956.db2.gz MZSQBVMUNVFRLR-QMMMGPOBSA-N 0 0 377.216 2.585 20 5 GFBDRN CN1CC[C@H](C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])C1=O ZINC000774374327 656523878 /nfs/dbraw/zinc/52/38/78/656523878.db2.gz IOVPVPAKSLBGCD-QWHCGFSZSA-N 0 0 399.241 2.567 20 5 GFBDRN O=C(O[C@H]1CCN(CC(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000774719851 656549956 /nfs/dbraw/zinc/54/99/56/656549956.db2.gz SFDKNTGGUCLAER-NSHDSACASA-N 0 0 379.157 2.854 20 5 GFBDRN Cc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)n1C1CC1 ZINC000774939602 656572972 /nfs/dbraw/zinc/57/29/72/656572972.db2.gz MEGKKDHKQMFXPH-UHFFFAOYSA-N 0 0 381.186 2.949 20 5 GFBDRN O=C(O[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000774951923 656574538 /nfs/dbraw/zinc/57/45/38/656574538.db2.gz UKJDVLLDYPQIMG-NHYWBVRUSA-N 0 0 386.198 2.852 20 5 GFBDRN Nc1ccc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)nc1Br ZINC000775080521 656596170 /nfs/dbraw/zinc/59/61/70/656596170.db2.gz QYTGWARYNZPMHY-UHFFFAOYSA-N 0 0 382.170 2.570 20 5 GFBDRN CC(C)[C@H](O)C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000775697315 656667120 /nfs/dbraw/zinc/66/71/20/656667120.db2.gz YUYPJHBVEOHRLG-ZDUSSCGKSA-N 0 0 378.397 2.800 20 5 GFBDRN COc1ccc(CS(=O)(=O)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000776262532 656724027 /nfs/dbraw/zinc/72/40/27/656724027.db2.gz HZDNFUUTHVSTGB-HNNXBMFYSA-N 0 0 385.825 2.905 20 5 GFBDRN CSc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1[N+](=O)[O-] ZINC000776788603 656794316 /nfs/dbraw/zinc/79/43/16/656794316.db2.gz QRVGBSCQLLEJRK-UHFFFAOYSA-N 0 0 377.403 2.743 20 5 GFBDRN CSc1cccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000777147665 656813278 /nfs/dbraw/zinc/81/32/78/656813278.db2.gz NPIHXXRNFGZITO-LLVKDONJSA-N 0 0 380.495 2.566 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)Oc2ccc(C)nc2Cl)cc1[N+](=O)[O-] ZINC000778088616 656860463 /nfs/dbraw/zinc/86/04/63/656860463.db2.gz KBKOOPHZFOTTOA-UHFFFAOYSA-N 0 0 376.749 2.867 20 5 GFBDRN COCCN(Cc1cccs1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778225436 656871141 /nfs/dbraw/zinc/87/11/41/656871141.db2.gz GRJAMAOJVMUVRH-UHFFFAOYSA-N 0 0 378.435 2.950 20 5 GFBDRN COc1ncccc1OS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000779633577 656934930 /nfs/dbraw/zinc/93/49/30/656934930.db2.gz FIUFGHQQLGIVLG-UHFFFAOYSA-N 0 0 389.183 2.529 20 5 GFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCSCc2ccccc2)cc1 ZINC000779868718 656951111 /nfs/dbraw/zinc/95/11/11/656951111.db2.gz BAGSKIGZBQIDGC-UHFFFAOYSA-N 0 0 380.491 2.990 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1 ZINC000779890121 656956636 /nfs/dbraw/zinc/95/66/36/656956636.db2.gz HZKFAWGHYLDSIA-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCc2ccc(CO)cc2)c1 ZINC000779927185 656966184 /nfs/dbraw/zinc/96/61/84/656966184.db2.gz XHWZVMLFPHOCNK-UHFFFAOYSA-N 0 0 384.841 2.570 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)OCCCOc2ccccc2Br)n1 ZINC000780369309 657001164 /nfs/dbraw/zinc/00/11/64/657001164.db2.gz FUJLIUMNQKSKHF-UHFFFAOYSA-N 0 0 384.186 2.717 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(I)cc1 ZINC000781666581 657070836 /nfs/dbraw/zinc/07/08/36/657070836.db2.gz 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CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000194715554 553028116 /nfs/dbraw/zinc/02/81/16/553028116.db2.gz SABWLOIWVHBXJC-UHFFFAOYSA-N 0 0 382.825 2.723 20 5 GFBDRN COc1ccc(Br)c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000195422553 553048448 /nfs/dbraw/zinc/04/84/48/553048448.db2.gz WHCBUZBDZSEZPR-UHFFFAOYSA-N 0 0 383.202 2.900 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)s1 ZINC000195511294 553050959 /nfs/dbraw/zinc/05/09/59/553050959.db2.gz PYPUPUOSYLFDPA-UHFFFAOYSA-N 0 0 378.845 2.675 20 5 GFBDRN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237933163 553084028 /nfs/dbraw/zinc/08/40/28/553084028.db2.gz MJOFJJHZDBZOOM-GZMMTYOYSA-N 0 0 382.269 2.697 20 5 GFBDRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@H]1c1nccs1 ZINC000248784448 553134778 /nfs/dbraw/zinc/13/47/78/553134778.db2.gz XFGPALLXBBXIJC-OCCSQVGLSA-N 0 0 381.479 2.581 20 5 GFBDRN CC(C)(CCC(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)[N+](=O)[O-] ZINC000294675492 563212398 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CCO[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000419005538 563232631 /nfs/dbraw/zinc/23/26/31/563232631.db2.gz ZLHVOUNILQMAJP-CABZTGNLSA-N 0 0 391.209 2.846 20 5 GFBDRN CCOC(=O)CC[C@H](C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278038489 563237481 /nfs/dbraw/zinc/23/74/81/563237481.db2.gz KTNYPNHDQFEREF-ZETCQYMHSA-N 0 0 379.232 2.880 20 5 GFBDRN Cn1ncc(Br)c1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295259181 563238970 /nfs/dbraw/zinc/23/89/70/563238970.db2.gz HKSVDZFMSYYYIJ-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN Cc1nn(C)c2c1N(S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)CCS2 ZINC000370346679 563241037 /nfs/dbraw/zinc/24/10/37/563241037.db2.gz KEHXQADNRHYOCI-UHFFFAOYSA-N 0 0 382.467 2.555 20 5 GFBDRN COc1cc(CSC[C@H]2COCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000419563249 563242564 /nfs/dbraw/zinc/24/25/64/563242564.db2.gz WGBOKMOGNXVRML-LLVKDONJSA-N 0 0 379.381 2.896 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000295447651 563247875 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376.822 2.820 20 5 GFBDRN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279327953 563292358 /nfs/dbraw/zinc/29/23/58/563292358.db2.gz GZQKJVBIMNVIFW-LDYMZIIASA-N 0 0 383.253 2.826 20 5 GFBDRN O=C(CN1CC[C@@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420992359 563293262 /nfs/dbraw/zinc/29/32/62/563293262.db2.gz KOSIQUTUYCCQPV-GFCCVEGCSA-N 0 0 398.257 2.675 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000372288462 563301308 /nfs/dbraw/zinc/30/13/08/563301308.db2.gz KXOJHFWASFPFEG-LLVKDONJSA-N 0 0 387.414 2.725 20 5 GFBDRN CS(=O)(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000279626547 563303330 /nfs/dbraw/zinc/30/33/30/563303330.db2.gz BGXVVUHCOFEIJZ-UHFFFAOYSA-N 0 0 381.479 2.775 20 5 GFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000279685986 563306394 /nfs/dbraw/zinc/30/63/94/563306394.db2.gz AZDCPJHLHDZGEV-UHFFFAOYSA-N 0 0 379.766 2.729 20 5 GFBDRN CSC1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000280138747 563324114 /nfs/dbraw/zinc/32/41/14/563324114.db2.gz MFLOFUXHAGPUBG-UHFFFAOYSA-N 0 0 376.837 2.958 20 5 GFBDRN C[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000280200037 563326986 /nfs/dbraw/zinc/32/69/86/563326986.db2.gz FZTXVLOAAVRBDB-XPTSAGLGSA-N 0 0 376.381 2.595 20 5 GFBDRN CC(C)(C)OC(=O)NCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280266914 563329833 /nfs/dbraw/zinc/32/98/33/563329833.db2.gz UPQOZYOALHSUAY-UHFFFAOYSA-N 0 0 375.784 2.571 20 5 GFBDRN CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373650606 563344915 /nfs/dbraw/zinc/34/49/15/563344915.db2.gz ZMWOWBZSYFHJTD-WFASDCNBSA-N 0 0 386.246 2.917 20 5 GFBDRN CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373650603 563345081 /nfs/dbraw/zinc/34/50/81/563345081.db2.gz ZMWOWBZSYFHJTD-DOMZBBRYSA-N 0 0 386.246 2.917 20 5 GFBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@]2(CCCOC2)O1 ZINC000373650750 563345207 /nfs/dbraw/zinc/34/52/07/563345207.db2.gz ZRXIOJDVHMPVPW-DOMZBBRYSA-N 0 0 386.246 2.917 20 5 GFBDRN Cc1c(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000280632636 563347328 /nfs/dbraw/zinc/34/73/28/563347328.db2.gz AKLYBGQEXJGSDC-LLVKDONJSA-N 0 0 399.245 2.797 20 5 GFBDRN Cc1c(NC(=O)N[C@H](C)C[S@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000280821578 563355831 /nfs/dbraw/zinc/35/58/31/563355831.db2.gz UFOVNQYMNHMJKX-QFWYVNQISA-N 0 0 378.248 2.554 20 5 GFBDRN Cc1c(NC(=O)NCCc2cnn(C)c2)cc(Br)cc1[N+](=O)[O-] ZINC000280821527 563355833 /nfs/dbraw/zinc/35/58/33/563355833.db2.gz UDUKJNDSXPCGTR-UHFFFAOYSA-N 0 0 382.218 2.763 20 5 GFBDRN Cc1c(NC(=O)N[C@H](C)C[S@@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000280821582 563356225 /nfs/dbraw/zinc/35/62/25/563356225.db2.gz UFOVNQYMNHMJKX-WODJRTHDSA-N 0 0 378.248 2.554 20 5 GFBDRN Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000281159587 563368598 /nfs/dbraw/zinc/36/85/98/563368598.db2.gz PSJMEDHJWVEPFD-LDYMZIIASA-N 0 0 384.230 2.909 20 5 GFBDRN COc1cc(Br)c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1OC ZINC000299163887 563376388 /nfs/dbraw/zinc/37/63/88/563376388.db2.gz QGTMQNAEOKVSOC-UHFFFAOYSA-N 0 0 399.201 2.669 20 5 GFBDRN NC(=O)c1ccc(NCCCCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000281452469 563377695 /nfs/dbraw/zinc/37/76/95/563377695.db2.gz KZUDPEXJXVMFCU-UHFFFAOYSA-N 0 0 382.218 2.545 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)[C@@H]1CCCOCC1 ZINC000374704400 563380485 /nfs/dbraw/zinc/38/04/85/563380485.db2.gz OUXOENRQQBTZTK-SECBINFHSA-N 0 0 390.177 2.955 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Cc3ccncc3)C2)c(Cl)c1 ZINC000374709085 563380862 /nfs/dbraw/zinc/38/08/62/563380862.db2.gz FRYIPSXMSMSQIW-CYBMUJFWSA-N 0 0 381.841 2.897 20 5 GFBDRN Cn1nc(Br)c2c1ncnc2Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC000301162783 563395081 /nfs/dbraw/zinc/39/50/81/563395081.db2.gz PVMGEEUTSIRBNQ-UHFFFAOYSA-N 0 0 378.142 2.639 20 5 GFBDRN CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000282178414 563401083 /nfs/dbraw/zinc/40/10/83/563401083.db2.gz IZYVBICBJDSWEU-UHFFFAOYSA-N 0 0 392.193 2.616 20 5 GFBDRN CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)no1 ZINC000301522312 563406131 /nfs/dbraw/zinc/40/61/31/563406131.db2.gz GFGLDWBOFGGSAY-UHFFFAOYSA-N 0 0 396.245 2.625 20 5 GFBDRN Cc1cccc(OC[C@@H](O)CNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301552956 563406584 /nfs/dbraw/zinc/40/65/84/563406584.db2.gz RJZOSQMBHGJQDC-LBPRGKRZSA-N 0 0 382.214 2.913 20 5 GFBDRN C[C@H](N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1)C(F)(F)F ZINC000301604217 563407903 /nfs/dbraw/zinc/40/79/03/563407903.db2.gz XLCZNGWHUOLQBG-QMMMGPOBSA-N 0 0 383.168 2.825 20 5 GFBDRN CC(C)C[C@@H]1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301604263 563408196 /nfs/dbraw/zinc/40/81/96/563408196.db2.gz XNTVYDUHJATKSZ-LLVKDONJSA-N 0 0 378.397 2.842 20 5 GFBDRN O=C(NCc1nnc2n1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375559822 563409761 /nfs/dbraw/zinc/40/97/61/563409761.db2.gz GYUUNEVYRVTNRF-UHFFFAOYSA-N 0 0 395.217 2.607 20 5 GFBDRN O=C(C1CCCCC1)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301688372 563410308 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NS(=O)(=O)c1cccc(NCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000302112662 563420561 /nfs/dbraw/zinc/42/05/61/563420561.db2.gz AZPGHANUFHLYJS-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN Cn1c2ccc(Cl)cc2nc1Sc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302120027 563421515 /nfs/dbraw/zinc/42/15/15/563421515.db2.gz FPUGGKDRFUQBSR-UHFFFAOYSA-N 0 0 398.853 2.934 20 5 GFBDRN CC(C)(C)SCCOc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000282724796 563422100 /nfs/dbraw/zinc/42/21/00/563422100.db2.gz WRDHFKWAIJWBBL-UHFFFAOYSA-N 0 0 378.428 2.817 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCO[C@H](COCC2CC2)C1 ZINC000425435921 563422324 /nfs/dbraw/zinc/42/23/24/563422324.db2.gz UVMKOMJTGHQJGE-HNNXBMFYSA-N 0 0 385.258 2.985 20 5 GFBDRN CO[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccccc1Cl ZINC000302167831 563422312 /nfs/dbraw/zinc/42/23/12/563422312.db2.gz LKBUATDIBAQZLV-AWEZNQCLSA-N 0 0 385.829 2.695 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CN(C)c1ncc([N+](=O)[O-])cn1 ZINC000302200205 563423178 /nfs/dbraw/zinc/42/31/78/563423178.db2.gz ZAERWHVZNKGQIK-UHFFFAOYSA-N 0 0 380.202 2.531 20 5 GFBDRN Cc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c[n+]1[O-] ZINC000302212471 563423921 /nfs/dbraw/zinc/42/39/21/563423921.db2.gz DZANRCHQGBHBHJ-UHFFFAOYSA-N 0 0 378.284 2.622 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Br)c1 ZINC000302471927 563425219 /nfs/dbraw/zinc/42/52/19/563425219.db2.gz WDFDJILSYKYUMN-UHFFFAOYSA-N 0 0 393.245 2.679 20 5 GFBDRN Cc1cc(N2CCN(c3ncccn3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302669362 563427481 /nfs/dbraw/zinc/42/74/81/563427481.db2.gz KDRWOVQUZOODLY-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN CC1(C)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000302728026 563429099 /nfs/dbraw/zinc/42/90/99/563429099.db2.gz QDCVIKSYRSGNDQ-LLVKDONJSA-N 0 0 381.376 2.657 20 5 GFBDRN Cc1c(NC(=O)NC[C@@H]2CCN(C)C(=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000425671613 563430745 /nfs/dbraw/zinc/43/07/45/563430745.db2.gz IKUCCPUKJLDRNS-SNVBAGLBSA-N 0 0 399.245 2.656 20 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ZINC000284566828 563480093 /nfs/dbraw/zinc/48/00/93/563480093.db2.gz GAFGWKDXMRJYIV-OLZOCXBDSA-N 0 0 395.264 2.808 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000284832546 563491809 /nfs/dbraw/zinc/49/18/09/563491809.db2.gz JIMCSRMDPFJGBB-GFCCVEGCSA-N 0 0 394.229 2.675 20 5 GFBDRN Cc1noc(C(C)(C)NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000284920486 563495457 /nfs/dbraw/zinc/49/54/57/563495457.db2.gz OMZCQNKVGAMWFN-UHFFFAOYSA-N 0 0 375.204 2.775 20 5 GFBDRN O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000378136825 563497186 /nfs/dbraw/zinc/49/71/86/563497186.db2.gz MSCIZGSYZMEHDA-UKRRQHHQSA-N 0 0 393.193 2.582 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1c1ccco1 ZINC000378192462 563498409 /nfs/dbraw/zinc/49/84/09/563498409.db2.gz NIZQTJXRSQQCIO-CYBMUJFWSA-N 0 0 386.813 2.912 20 5 GFBDRN Cn1ccnc1-c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000378385574 563505204 /nfs/dbraw/zinc/50/52/04/563505204.db2.gz ROCBIHFVENSZMQ-UHFFFAOYSA-N 0 0 378.435 2.535 20 5 GFBDRN COC1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285183072 563507683 /nfs/dbraw/zinc/50/76/83/563507683.db2.gz NCDKAMKKCKFXOE-UHFFFAOYSA-N 0 0 380.825 2.965 20 5 GFBDRN C[C@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[S@](C)=O ZINC000429076660 563509319 /nfs/dbraw/zinc/50/93/19/563509319.db2.gz SYVRASYXKFKKJC-IJRMKIOGSA-N 0 0 381.376 2.570 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@@H]2CC(F)F)cc1[N+](=O)[O-] ZINC000285357236 563516773 /nfs/dbraw/zinc/51/67/73/563516773.db2.gz LQJNLBBKYITNGT-VIFPVBQESA-N 0 0 384.788 2.601 20 5 GFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000285375118 563517408 /nfs/dbraw/zinc/51/74/08/563517408.db2.gz RGAWZUQZVNBIBR-SQXIKUFJSA-N 0 0 386.857 2.601 20 5 GFBDRN Cc1oc(Br)cc1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000396751959 563531200 /nfs/dbraw/zinc/53/12/00/563531200.db2.gz XPOWDFZYMMQMJC-UHFFFAOYSA-N 0 0 395.213 2.616 20 5 GFBDRN C[C@@H](CO)N(CC1CCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000430086425 563532369 /nfs/dbraw/zinc/53/23/69/563532369.db2.gz QDYQMNQCIPFQQQ-NSHDSACASA-N 0 0 385.258 2.909 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])s1 ZINC000430159297 563537137 /nfs/dbraw/zinc/53/71/37/563537137.db2.gz DGLJENXOACQZLK-LLVKDONJSA-N 0 0 399.266 3.000 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC[C@@H]2CC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000430325267 563541908 /nfs/dbraw/zinc/54/19/08/563541908.db2.gz RZDUSUCIVOZZEB-VIFPVBQESA-N 0 0 384.230 2.767 20 5 GFBDRN O=C(NC1(CCO)CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286235881 563552741 /nfs/dbraw/zinc/55/27/41/563552741.db2.gz YBXWAUJTDKSXGC-UHFFFAOYSA-N 0 0 375.194 2.921 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000331815639 563562540 /nfs/dbraw/zinc/56/25/40/563562540.db2.gz MASRZPSDLLBEFW-SSDOTTSWSA-N 0 0 375.332 2.813 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000286511565 563563511 /nfs/dbraw/zinc/56/35/11/563563511.db2.gz OIEILFADUPPBAW-AUADJRAKSA-N 0 0 389.271 2.649 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])s3)nc12 ZINC000409727843 563570089 /nfs/dbraw/zinc/57/00/89/563570089.db2.gz OITWKORSMWFHIH-UHFFFAOYSA-N 0 0 382.243 2.846 20 5 GFBDRN COc1ccc2c(c1)N(S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C[C@@H](C)O2 ZINC000332019402 563572328 /nfs/dbraw/zinc/57/23/28/563572328.db2.gz SCCPKLBFGOFFQD-SECBINFHSA-N 0 0 384.435 2.950 20 5 GFBDRN CNS(=O)(=O)c1cccc2c1CCN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000432139142 563575957 /nfs/dbraw/zinc/57/59/57/563575957.db2.gz ZQKWIQMXAFDAAF-UHFFFAOYSA-N 0 0 381.841 2.719 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000286838994 563576922 /nfs/dbraw/zinc/57/69/22/563576922.db2.gz PHHJUILZMDRZEA-AWEZNQCLSA-N 0 0 375.194 2.602 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]12CCOC2=O ZINC000286858879 563577573 /nfs/dbraw/zinc/57/75/73/563577573.db2.gz UVXOCEWYYLTARM-HNNXBMFYSA-N 0 0 383.198 2.587 20 5 GFBDRN Cc1sc(S(=O)(=O)NCCc2nc3c(cccc3C)o2)cc1[N+](=O)[O-] ZINC000410325422 563586860 /nfs/dbraw/zinc/58/68/60/563586860.db2.gz YMEFHPIUYJNXPU-UHFFFAOYSA-N 0 0 381.435 2.935 20 5 GFBDRN COc1ccc(OCCN[C@@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000433003785 563600446 /nfs/dbraw/zinc/60/04/46/563600446.db2.gz BAKPZIUAHDLETB-JTQLQIEISA-N 0 0 397.229 2.886 20 5 GFBDRN CCOC(=O)C[C@@H](Sc1ncnc2sc([N+](=O)[O-])cc21)C(=O)OCC ZINC000287950165 563623964 /nfs/dbraw/zinc/62/39/64/563623964.db2.gz YJFKBBRGQIVEPZ-SECBINFHSA-N 0 0 385.423 2.577 20 5 GFBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC(F)(F)Br)cc1[N+](=O)[O-] ZINC000287987504 563625130 /nfs/dbraw/zinc/62/51/30/563625130.db2.gz AEOKTEQPWSVXFF-UHFFFAOYSA-N 0 0 382.117 2.871 20 5 GFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc(F)cc([N+](=O)[O-])c4Br)[C@H]1[C@H]3C2 ZINC000288224276 563633803 /nfs/dbraw/zinc/63/38/03/563633803.db2.gz CYQFANMKLMQQHE-WUENMSDESA-N 0 0 399.216 2.992 20 5 GFBDRN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1csnn1 ZINC000412032281 563644614 /nfs/dbraw/zinc/64/46/14/563644614.db2.gz DGUNVNDSQIRYHV-SSDOTTSWSA-N 0 0 390.206 2.902 20 5 GFBDRN Cc1c(NC(=O)NCC[C@@H](C)[S@@](C)=O)cc(Br)cc1[N+](=O)[O-] ZINC000435330181 563648035 /nfs/dbraw/zinc/64/80/35/563648035.db2.gz SBACFEHHAQQQEX-CWMRNNLJSA-N 0 0 392.275 2.944 20 5 GFBDRN CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288943730 563662795 /nfs/dbraw/zinc/66/27/95/563662795.db2.gz XXCVEGWYEHSUHU-LLVKDONJSA-N 0 0 398.257 2.878 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000412816051 563670402 /nfs/dbraw/zinc/67/04/02/563670402.db2.gz BLCDOMVBHDBKIP-JQEORGNBSA-N 0 0 378.759 2.680 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c1C ZINC000289815566 563688042 /nfs/dbraw/zinc/68/80/42/563688042.db2.gz IZZBBZNZKNEWBB-ZDUSSCGKSA-N 0 0 384.845 2.697 20 5 GFBDRN C[C@]1(O)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000289890064 563690343 /nfs/dbraw/zinc/69/03/43/563690343.db2.gz PCDNXKDNJUGHEN-ZDUSSCGKSA-N 0 0 383.253 2.827 20 5 GFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1nc(CC(F)(F)F)no1 ZINC000437254061 563691634 /nfs/dbraw/zinc/69/16/34/563691634.db2.gz VWSFTYWKJWOMIF-MRVPVSSYSA-N 0 0 379.316 2.759 20 5 GFBDRN O=C1CCC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)N1 ZINC000289954494 563692059 /nfs/dbraw/zinc/69/20/59/563692059.db2.gz BOQYWTAIUVYTEC-NSHDSACASA-N 0 0 381.186 2.672 20 5 GFBDRN CCc1nn(C)c(N2CCC(Cn3cc(Br)cn3)CC2)c1[N+](=O)[O-] ZINC000360999324 563696076 /nfs/dbraw/zinc/69/60/76/563696076.db2.gz NZTDJHBLJLWJQJ-UHFFFAOYSA-N 0 0 397.277 2.766 20 5 GFBDRN Cc1csc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000362103787 563703565 /nfs/dbraw/zinc/70/35/65/563703565.db2.gz APPGWTVUJBGSEF-UHFFFAOYSA-N 0 0 380.451 2.912 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000438458765 563705949 /nfs/dbraw/zinc/70/59/49/563705949.db2.gz LBJPHKFSQFPKSH-WCQYABFASA-N 0 0 378.182 2.744 20 5 GFBDRN Cc1nnc([C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000413983850 563713046 /nfs/dbraw/zinc/71/30/46/563713046.db2.gz TZLHGWLZMZEWOI-JTQLQIEISA-N 0 0 381.845 2.783 20 5 GFBDRN CS(=O)(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000291352627 563740340 /nfs/dbraw/zinc/74/03/40/563740340.db2.gz ACDYPLBZNFZBMS-UHFFFAOYSA-N 0 0 395.264 2.989 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000364488609 563754248 /nfs/dbraw/zinc/75/42/48/563754248.db2.gz OIJSZHSVBNLIAH-UONOGXRCSA-N 0 0 397.225 2.568 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCOc3c(Br)cccc32)n1 ZINC000441536182 563761783 /nfs/dbraw/zinc/76/17/83/563761783.db2.gz WOLZLQHRBLYWJR-UHFFFAOYSA-N 0 0 381.186 2.613 20 5 GFBDRN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291863592 563762158 /nfs/dbraw/zinc/76/21/58/563762158.db2.gz FLKCVZGMIQFXFQ-BDJLRTHQSA-N 0 0 382.463 2.778 20 5 GFBDRN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000291949011 563766231 /nfs/dbraw/zinc/76/62/31/563766231.db2.gz UGIPCUZSBKOKKP-MRVPVSSYSA-N 0 0 388.389 2.606 20 5 GFBDRN CC(C)N([C@H]1CCOC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000292045875 563771521 /nfs/dbraw/zinc/77/15/21/563771521.db2.gz GEIQOGTYXDWAAQ-NSHDSACASA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292038563 563771524 /nfs/dbraw/zinc/77/15/24/563771524.db2.gz ZBTRVBUXZYILOO-RFAUZJTJSA-N 0 0 386.426 2.776 20 5 GFBDRN CN(C[C@H]1CCc2nccn2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365463602 563784332 /nfs/dbraw/zinc/78/43/32/563784332.db2.gz PBANRVDJUURPJZ-SECBINFHSA-N 0 0 399.270 2.950 20 5 GFBDRN O=C(NC[C@H]1CCc2nccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365781073 563792887 /nfs/dbraw/zinc/79/28/87/563792887.db2.gz VLJRUCOOTIKZAX-MRVPVSSYSA-N 0 0 385.243 2.608 20 5 GFBDRN COCC[C@@H]1COCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000365815089 563794354 /nfs/dbraw/zinc/79/43/54/563794354.db2.gz UNEGFPACEWVIRO-GFCCVEGCSA-N 0 0 388.218 2.627 20 5 GFBDRN CCCN(CC(C)(C)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443228948 563796386 /nfs/dbraw/zinc/79/63/86/563796386.db2.gz XWGXXLFVBULSGC-UHFFFAOYSA-N 0 0 384.376 2.785 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CO)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000443269211 563798559 /nfs/dbraw/zinc/79/85/59/563798559.db2.gz WCJWVBMTOYVRBS-AWEZNQCLSA-N 0 0 388.804 2.708 20 5 GFBDRN O=[N+]([O-])c1cnc(NCC2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000366179893 563800227 /nfs/dbraw/zinc/80/02/27/563800227.db2.gz FRZZCHCLXFIBRP-UHFFFAOYSA-N 0 0 393.245 2.871 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000443522104 563807946 /nfs/dbraw/zinc/80/79/46/563807946.db2.gz XLKAQVWKDXULFH-UHFFFAOYSA-N 0 0 381.889 2.751 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000443730787 563811024 /nfs/dbraw/zinc/81/10/24/563811024.db2.gz HLOYECFIOOYLOL-UHFFFAOYSA-N 0 0 386.813 2.614 20 5 GFBDRN C[C@@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366575773 563814207 /nfs/dbraw/zinc/81/42/07/563814207.db2.gz REUAILLYJXJXQQ-BZNIZROVSA-N 0 0 399.241 2.767 20 5 GFBDRN CCC[C@@]1(C(=O)OCC)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000443977271 563816824 /nfs/dbraw/zinc/81/68/24/563816824.db2.gz CSXVHXINCZDIQL-HNNXBMFYSA-N 0 0 390.483 2.851 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000416375769 563820071 /nfs/dbraw/zinc/82/00/71/563820071.db2.gz UQLJNFRLDOCCTG-UHFFFAOYSA-N 0 0 384.435 2.572 20 5 GFBDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000293707423 563822427 /nfs/dbraw/zinc/82/24/27/563822427.db2.gz AULIJVYPSYSROJ-SNVBAGLBSA-N 0 0 386.246 2.640 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCc1cscn1 ZINC000416406184 563823634 /nfs/dbraw/zinc/82/36/34/563823634.db2.gz DXKTWIFDNFJWOH-UHFFFAOYSA-N 0 0 381.357 2.591 20 5 GFBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC(=O)Nc2cc(Br)ccc21 ZINC000367128557 563831849 /nfs/dbraw/zinc/83/18/49/563831849.db2.gz CRGXUARYWHKDID-UHFFFAOYSA-N 0 0 376.166 2.956 20 5 GFBDRN O=C(NCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1I ZINC000294202314 563833929 /nfs/dbraw/zinc/83/39/29/563833929.db2.gz NXZMHNJOFZDUAB-UHFFFAOYSA-N 0 0 396.131 2.975 20 5 GFBDRN CCOCC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416490422 563838004 /nfs/dbraw/zinc/83/80/04/563838004.db2.gz VQKBAQGBXRQGDW-UHFFFAOYSA-N 0 0 384.376 2.955 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)c1 ZINC000367264721 563838665 /nfs/dbraw/zinc/83/86/65/563838665.db2.gz ORHHFHQCNQFSHN-CYBMUJFWSA-N 0 0 392.836 2.967 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000367368469 563842376 /nfs/dbraw/zinc/84/23/76/563842376.db2.gz TZKKZCPKTMEENG-SECBINFHSA-N 0 0 379.214 2.676 20 5 GFBDRN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552731 563847000 /nfs/dbraw/zinc/84/70/00/563847000.db2.gz HXMDAXFJLWMGCI-JTQLQIEISA-N 0 0 396.296 2.912 20 5 GFBDRN COC1([C@H](C)NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000416614598 563853564 /nfs/dbraw/zinc/85/35/64/563853564.db2.gz IMNASBFFSXBVNY-VIFPVBQESA-N 0 0 393.259 2.593 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)c3ccccc3C2)c(Cl)c1 ZINC000367780680 563855427 /nfs/dbraw/zinc/85/54/27/563855427.db2.gz DSOGRCNYDFWEQH-HNNXBMFYSA-N 0 0 382.825 2.876 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000416644431 563857105 /nfs/dbraw/zinc/85/71/05/563857105.db2.gz IPHFRQVMAJLVID-NSHDSACASA-N 0 0 395.275 2.697 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)[C@H](C)O1 ZINC000446079346 563858006 /nfs/dbraw/zinc/85/80/06/563858006.db2.gz JFSRXXIUYUMHLX-MXWKQRLJSA-N 0 0 386.246 2.794 20 5 GFBDRN Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000447036887 563873254 /nfs/dbraw/zinc/87/32/54/563873254.db2.gz HKXFWRJJRCHHCV-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000447943313 563892020 /nfs/dbraw/zinc/89/20/20/563892020.db2.gz XAQQQCYTQCOMJO-VIFPVBQESA-N 0 0 395.300 2.697 20 5 GFBDRN CCOC(=O)C(=C(O)CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108937 563894275 /nfs/dbraw/zinc/89/42/75/563894275.db2.gz SBRNSQUWHMSMMC-ZDUSSCGKSA-N 0 0 381.435 2.763 20 5 GFBDRN Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1cncc(Br)c1)CC2 ZINC000538012895 564179767 /nfs/dbraw/zinc/17/97/67/564179767.db2.gz HNEJWOBHZCIEPE-UHFFFAOYSA-N 0 0 398.238 2.812 20 5 GFBDRN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1Br ZINC000471368740 564193863 /nfs/dbraw/zinc/19/38/63/564193863.db2.gz HZHFBHSFRJUZLV-UHFFFAOYSA-N 0 0 395.213 2.772 20 5 GFBDRN CCOC(=O)c1ccsc1NC(=O)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000506442719 564202083 /nfs/dbraw/zinc/20/20/83/564202083.db2.gz BLRYSBRJNNNTSL-UHFFFAOYSA-N 0 0 385.785 2.899 20 5 GFBDRN Cc1cc(OCC(=O)c2ccc(S(C)(=O)=O)nc2)c(Cl)cc1[N+](=O)[O-] ZINC000506553375 564204867 /nfs/dbraw/zinc/20/48/67/564204867.db2.gz ZAKOGXCCVBXOIK-UHFFFAOYSA-N 0 0 384.797 2.617 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000564060877 564218574 /nfs/dbraw/zinc/21/85/74/564218574.db2.gz IWNQWJNCSXDXAW-LLVKDONJSA-N 0 0 380.202 2.761 20 5 GFBDRN Cc1nc(NCCOc2ncc(C(F)(F)F)cc2Cl)ncc1[N+](=O)[O-] ZINC000450352100 564229167 /nfs/dbraw/zinc/22/91/67/564229167.db2.gz XDVFFTCXRBLXEA-UHFFFAOYSA-N 0 0 377.710 2.673 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H](C)CSc2ccc(C)cc2)c([N+](=O)[O-])n1 ZINC000472698159 564230627 /nfs/dbraw/zinc/23/06/27/564230627.db2.gz JFGQTBPOEGHLQW-LBPRGKRZSA-N 0 0 384.483 2.579 20 5 GFBDRN CN(c1ccc(Br)cn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000564429558 564233707 /nfs/dbraw/zinc/23/37/07/564233707.db2.gz XPQKYFFQMPBVHR-UHFFFAOYSA-N 0 0 386.227 2.719 20 5 GFBDRN O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000507601942 564234324 /nfs/dbraw/zinc/23/43/24/564234324.db2.gz MUUSYXPQSAPEBF-JTQLQIEISA-N 0 0 375.284 2.813 20 5 GFBDRN COC(=O)Cc1ccc(NCCCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000450527096 564236695 /nfs/dbraw/zinc/23/66/95/564236695.db2.gz JAQTTWXZNAQIDF-UHFFFAOYSA-N 0 0 397.229 2.772 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000473774552 564254452 /nfs/dbraw/zinc/25/44/52/564254452.db2.gz TWUODXAUCFOSFI-LLVKDONJSA-N 0 0 383.191 2.765 20 5 GFBDRN O=C(NCCCC(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000508358104 564261791 /nfs/dbraw/zinc/26/17/91/564261791.db2.gz CQNOWNLGRKVINX-VIFPVBQESA-N 0 0 379.360 2.720 20 5 GFBDRN CS[C@@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000541278365 564272670 /nfs/dbraw/zinc/27/26/70/564272670.db2.gz NUFLJRXDDMRHJQ-ZDUSSCGKSA-N 0 0 385.511 2.680 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000565546228 564285530 /nfs/dbraw/zinc/28/55/30/564285530.db2.gz YIVZOBMFYCDYAX-CYBMUJFWSA-N 0 0 398.257 2.795 20 5 GFBDRN C[C@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@@H]1O ZINC000509310633 564292389 /nfs/dbraw/zinc/29/23/89/564292389.db2.gz MUIHJRBXHFIBAG-SDBXPKJASA-N 0 0 385.207 2.540 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000541932250 564295805 /nfs/dbraw/zinc/29/58/05/564295805.db2.gz JXDOGJKXYQPBBW-UHFFFAOYSA-N 0 0 384.845 2.650 20 5 GFBDRN O=C(Cc1ccccc1Br)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000542214870 564304841 /nfs/dbraw/zinc/30/48/41/564304841.db2.gz VERSKPFDNJTIQA-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)CCc2ccccc2)c(Cl)c1 ZINC000542322720 564310666 /nfs/dbraw/zinc/31/06/66/564310666.db2.gz WQLBFUJOMICEIO-CQSZACIVSA-N 0 0 384.841 2.520 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](N3CCCC3=O)C2)ncc1[N+](=O)[O-] ZINC000542508543 564316165 /nfs/dbraw/zinc/31/61/65/564316165.db2.gz GMOFXFZHGYFLAP-NSHDSACASA-N 0 0 383.246 2.652 20 5 GFBDRN COC(=O)[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccccc1 ZINC000542506103 564316345 /nfs/dbraw/zinc/31/63/45/564316345.db2.gz LPOGIRPJPHYCFG-LBPRGKRZSA-N 0 0 394.225 2.851 20 5 GFBDRN [NH3+]C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000566224343 564318447 /nfs/dbraw/zinc/31/84/47/564318447.db2.gz MBRYASZHUHVABA-MGCOHNPYSA-N 0 0 396.296 2.945 20 5 GFBDRN CO[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000451545035 564324315 /nfs/dbraw/zinc/32/43/15/564324315.db2.gz NPQSNTMBKJUXAQ-HZMBPMFUSA-N 0 0 386.246 2.653 20 5 GFBDRN O=C(Cc1ccc(Br)cc1)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000475971687 564325367 /nfs/dbraw/zinc/32/53/67/564325367.db2.gz BAHKYOSMVYQJPX-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN CCOC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000510369416 564330797 /nfs/dbraw/zinc/33/07/97/564330797.db2.gz NGTVVDPMMAXXOA-UHFFFAOYSA-N 0 0 390.845 2.648 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000451643928 564335317 /nfs/dbraw/zinc/33/53/17/564335317.db2.gz WIRUZMKWGNXCGX-SECBINFHSA-N 0 0 382.360 2.846 20 5 GFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[S@](=O)C(C)(C)CC1 ZINC000451758762 564348437 /nfs/dbraw/zinc/34/84/37/564348437.db2.gz QGHQSIOVIUPGPU-NDHGSNPTSA-N 0 0 387.889 2.808 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000476910963 564358675 /nfs/dbraw/zinc/35/86/75/564358675.db2.gz HEZUGDJQLBDKGK-UHFFFAOYSA-N 0 0 384.464 2.628 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000451860144 564359340 /nfs/dbraw/zinc/35/93/40/564359340.db2.gz BBAHDBKJDVSBMI-OLZOCXBDSA-N 0 0 386.495 2.935 20 5 GFBDRN CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1[NH+]1CCCC1 ZINC000567169251 564360017 /nfs/dbraw/zinc/36/00/17/564360017.db2.gz KOOMFCFNTJTVFO-ZIAGYGMSSA-N 0 0 385.873 2.606 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000477044244 564362936 /nfs/dbraw/zinc/36/29/36/564362936.db2.gz MWDOXQXCPTYWMP-UHFFFAOYSA-N 0 0 376.312 2.905 20 5 GFBDRN CC(=O)N1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000477137940 564366138 /nfs/dbraw/zinc/36/61/38/564366138.db2.gz FUGPNSBZNJGXSL-JTQLQIEISA-N 0 0 393.241 2.963 20 5 GFBDRN CN(C(=O)CCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000477153815 564367109 /nfs/dbraw/zinc/36/71/09/564367109.db2.gz RWLNDGJGQLLASS-UHFFFAOYSA-N 0 0 380.198 2.572 20 5 GFBDRN Cc1csc([C@H](C)CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])n1 ZINC000544446572 564386171 /nfs/dbraw/zinc/38/61/71/564386171.db2.gz MYKBOJFYIJFWNE-SNVBAGLBSA-N 0 0 384.483 2.826 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000512325775 564397784 /nfs/dbraw/zinc/39/77/84/564397784.db2.gz XJZHXGMWDGUHDU-VIFPVBQESA-N 0 0 379.214 2.850 20 5 GFBDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544791625 564399250 /nfs/dbraw/zinc/39/92/50/564399250.db2.gz PISUNZPARPTQLV-MRVPVSSYSA-N 0 0 397.204 2.835 20 5 GFBDRN CCc1ccc(C(=O)NCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000452297370 564403930 /nfs/dbraw/zinc/40/39/30/564403930.db2.gz NUHBXFBSBWZYGB-UHFFFAOYSA-N 0 0 394.225 2.511 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000512490402 564404369 /nfs/dbraw/zinc/40/43/69/564404369.db2.gz MIZZIQAFDVRTLR-NEPJUHHUSA-N 0 0 383.857 2.610 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cn(CCSc2cc(Cl)ccc2Cl)c1=O ZINC000478491293 564405130 /nfs/dbraw/zinc/40/51/30/564405130.db2.gz WGCRWVSLFPBDJJ-UHFFFAOYSA-N 0 0 388.232 2.955 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(CF)CF ZINC000452327390 564406112 /nfs/dbraw/zinc/40/61/12/564406112.db2.gz OWGRTUFWEPQPPW-UHFFFAOYSA-N 0 0 384.120 2.545 20 5 GFBDRN CCOCCOCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000545005421 564406265 /nfs/dbraw/zinc/40/62/65/564406265.db2.gz ZCQNHZSCQHJTDG-UHFFFAOYSA-N 0 0 386.202 2.884 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)C1 ZINC000452348871 564406713 /nfs/dbraw/zinc/40/67/13/564406713.db2.gz ADFLDKWDARFLBM-MRVPVSSYSA-N 0 0 378.141 2.692 20 5 GFBDRN CCOC(=O)C[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000478767201 564414866 /nfs/dbraw/zinc/41/48/66/564414866.db2.gz YKCLMSXBXSUWMM-OAHLLOKOSA-N 0 0 392.861 2.894 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000478872257 564417056 /nfs/dbraw/zinc/41/70/56/564417056.db2.gz WDLKXTFXBOWPAH-AWEZNQCLSA-N 0 0 383.495 2.854 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000478872258 564417457 /nfs/dbraw/zinc/41/74/57/564417457.db2.gz WDLKXTFXBOWPAH-CQSZACIVSA-N 0 0 383.495 2.854 20 5 GFBDRN CNc1ccc(S(=O)(=O)N(C)Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000478937400 564419979 /nfs/dbraw/zinc/41/99/79/564419979.db2.gz MVRJWBNADFTKRK-UHFFFAOYSA-N 0 0 376.847 2.567 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(Br)o1)C2 ZINC000545370529 564420748 /nfs/dbraw/zinc/42/07/48/564420748.db2.gz RJDZYEYLMMPKOP-UHFFFAOYSA-N 0 0 387.211 2.697 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000513343100 564426708 /nfs/dbraw/zinc/42/67/08/564426708.db2.gz MTYKGZSEGIRDGV-UHFFFAOYSA-N 0 0 380.198 2.773 20 5 GFBDRN Cc1ccc(-c2noc(Cn3cc(Br)ccc3=O)n2)cc1[N+](=O)[O-] ZINC000545565477 564429190 /nfs/dbraw/zinc/42/91/90/564429190.db2.gz SPOUSHUNBCHZQA-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN C[C@@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479237508 564432670 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Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000546174483 564448003 /nfs/dbraw/zinc/44/80/03/564448003.db2.gz WKSQSFDBPJRMMP-WFASDCNBSA-N 0 0 390.889 2.974 20 5 GFBDRN CN(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546179188 564448775 /nfs/dbraw/zinc/44/87/75/564448775.db2.gz VZLVTYFSPGIJEZ-MRXNPFEDSA-N 0 0 383.857 2.829 20 5 GFBDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000514616579 564451654 /nfs/dbraw/zinc/45/16/54/564451654.db2.gz AYOKEMRRZDXCCR-NSHDSACASA-N 0 0 384.845 2.812 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000479948931 564455944 /nfs/dbraw/zinc/45/59/44/564455944.db2.gz MKSIQOFZXBRIJP-UHFFFAOYSA-N 0 0 382.825 2.704 20 5 GFBDRN O=[N+]([O-])c1ccccc1OCc1nc(Cn2cc(Br)cn2)no1 ZINC000546448623 564456559 /nfs/dbraw/zinc/45/65/59/564456559.db2.gz UHGRDSHYXZTEPP-UHFFFAOYSA-N 0 0 380.158 2.564 20 5 GFBDRN Cc1sc(S(=O)(=O)Nc2cc(Br)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000480209227 564464268 /nfs/dbraw/zinc/46/42/68/564464268.db2.gz MHGWWRUAJVDFGS-UHFFFAOYSA-N 0 0 394.228 2.629 20 5 GFBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC000515227747 564472335 /nfs/dbraw/zinc/47/23/35/564472335.db2.gz VKCKXBSEJPXMTD-UHFFFAOYSA-N 0 0 396.799 2.533 20 5 GFBDRN COCC(C)(C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000515686569 564485548 /nfs/dbraw/zinc/48/55/48/564485548.db2.gz CIZDKRGNGNZDPI-UHFFFAOYSA-N 0 0 392.193 2.602 20 5 GFBDRN COc1cccc(Cl)c1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000480738573 564485622 /nfs/dbraw/zinc/48/56/22/564485622.db2.gz KUNVRSWCRVOBBC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1Br ZINC000569985429 564486664 /nfs/dbraw/zinc/48/66/64/564486664.db2.gz DIBZVBIWSITRAZ-UHFFFAOYSA-N 0 0 393.241 2.872 20 5 GFBDRN CC(C)OC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000547461683 564489687 /nfs/dbraw/zinc/48/96/87/564489687.db2.gz BLHAWYZDCHROBQ-GFCCVEGCSA-N 0 0 387.230 2.623 20 5 GFBDRN 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O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCSC1 ZINC000484774729 564597776 /nfs/dbraw/zinc/59/77/76/564597776.db2.gz HFTKZQNTSQRTRV-VIFPVBQESA-N 0 0 381.273 2.531 20 5 GFBDRN NC(=O)c1ccnc(N[C@@H]2CCOc3c(Br)cccc32)c1[N+](=O)[O-] ZINC000572570058 564600778 /nfs/dbraw/zinc/60/07/78/564600778.db2.gz CMNSYFMGQLKARF-LLVKDONJSA-N 0 0 393.197 2.787 20 5 GFBDRN O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456479375 564609609 /nfs/dbraw/zinc/60/96/09/564609609.db2.gz YDRDOXXIWNZRHA-NSHDSACASA-N 0 0 375.759 2.624 20 5 GFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cn2ccc(Br)cc2n1 ZINC000521082383 564619313 /nfs/dbraw/zinc/61/93/13/564619313.db2.gz AZXJMIOPBZZDQI-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000485949982 564632812 /nfs/dbraw/zinc/63/28/12/564632812.db2.gz DEULNHFFUAJMBI-UHFFFAOYSA-N 0 0 389.455 2.746 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000486082616 564638956 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O=C(NC[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000523526612 564668516 /nfs/dbraw/zinc/66/85/16/564668516.db2.gz DRRMZCUHUJRPOP-GFCCVEGCSA-N 0 0 395.209 2.527 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000523685097 564671052 /nfs/dbraw/zinc/67/10/52/564671052.db2.gz VZOANMJNQGBPKH-GFCCVEGCSA-N 0 0 395.213 2.603 20 5 GFBDRN Cn1ccnc1[C@H](NCc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000552058329 564675539 /nfs/dbraw/zinc/67/55/39/564675539.db2.gz BSTANHRPISICNX-CQSZACIVSA-N 0 0 391.229 2.693 20 5 GFBDRN Cc1ccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1Br ZINC000574535001 564678422 /nfs/dbraw/zinc/67/84/22/564678422.db2.gz GOCWOFZTDFYELV-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000457970743 564682182 /nfs/dbraw/zinc/68/21/82/564682182.db2.gz MOWQDQNCZLJCMH-HIFRSBDPSA-N 0 0 395.253 2.927 20 5 GFBDRN O=C(NCc1cnn2ccccc12)c1sc(Br)cc1[N+](=O)[O-] ZINC000552297712 564684306 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20 5 GFBDRN Cc1cnc(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000488713968 564718283 /nfs/dbraw/zinc/71/82/83/564718283.db2.gz MNWXAZONTYTBLU-GFCCVEGCSA-N 0 0 377.198 2.888 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000488716454 564718341 /nfs/dbraw/zinc/71/83/41/564718341.db2.gz CCZKKFWUVBMLHQ-GFCCVEGCSA-N 0 0 394.229 2.709 20 5 GFBDRN C[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766756 564720200 /nfs/dbraw/zinc/72/02/00/564720200.db2.gz XRWLZKSFBJKPPB-ONGXEEELSA-N 0 0 393.259 2.593 20 5 GFBDRN O=[N+]([O-])c1ccccc1CNS(=O)(=O)Cc1ccccc1Br ZINC000553781454 564735940 /nfs/dbraw/zinc/73/59/40/564735940.db2.gz JKUWDLRAVVHPFP-UHFFFAOYSA-N 0 0 385.239 2.977 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)Cc1ccco1 ZINC000578169451 564742238 /nfs/dbraw/zinc/74/22/38/564742238.db2.gz JJZANIHRCIMDPU-NSHDSACASA-N 0 0 397.225 2.840 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2CCO)c1 ZINC000578820774 564744239 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COc1nn(C)cc1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554976800 564779834 /nfs/dbraw/zinc/77/98/34/564779834.db2.gz IMIGLBGAVYUMNF-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000490721756 564781665 /nfs/dbraw/zinc/78/16/65/564781665.db2.gz KLDIZEQPSZNSFE-AWEZNQCLSA-N 0 0 394.229 2.606 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000461512665 564799533 /nfs/dbraw/zinc/79/95/33/564799533.db2.gz GQZMUWLBCANFQX-ZDUSSCGKSA-N 0 0 386.495 2.746 20 5 GFBDRN CC(C)(O)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000492392640 564801865 /nfs/dbraw/zinc/80/18/65/564801865.db2.gz CFYQFKPWPLQSBP-UHFFFAOYSA-N 0 0 383.253 2.826 20 5 GFBDRN Cn1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(Br)c1=O ZINC000581479502 564804161 /nfs/dbraw/zinc/80/41/61/564804161.db2.gz FMCYDFHZFYMQPP-UHFFFAOYSA-N 0 0 394.225 2.972 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)NCc2cccs2)c1 ZINC000493918160 564813087 /nfs/dbraw/zinc/81/30/87/564813087.db2.gz AFOXVIKNIJNMFG-UHFFFAOYSA-N 0 0 379.463 2.767 20 5 GFBDRN Cc1cc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)ccc1I ZINC000462097178 564818696 /nfs/dbraw/zinc/81/86/96/564818696.db2.gz OBGSIZQGDSFZOI-UHFFFAOYSA-N 0 0 399.144 2.794 20 5 GFBDRN CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556527260 564829033 /nfs/dbraw/zinc/82/90/33/564829033.db2.gz CCELZMMPEJQCSX-GFCCVEGCSA-N 0 0 384.230 2.991 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)Nc3ncn(C)n3)cc2[N+](=O)[O-])n1 ZINC000557121813 564855175 /nfs/dbraw/zinc/85/51/75/564855175.db2.gz NOZQOAZICGZMSM-UHFFFAOYSA-N 0 0 376.423 2.892 20 5 GFBDRN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Oc1ccc(Br)cc1 ZINC000462935440 564863636 /nfs/dbraw/zinc/86/36/36/564863636.db2.gz JVZZTGZNSYQWSF-VIFPVBQESA-N 0 0 395.213 2.731 20 5 GFBDRN C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000497555477 564871013 /nfs/dbraw/zinc/87/10/13/564871013.db2.gz ZJLZLKHLQAFVLU-JNDILOIQSA-N 0 0 382.463 2.909 20 5 GFBDRN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccc(Br)cn1 ZINC000497795899 564876802 /nfs/dbraw/zinc/87/68/02/564876802.db2.gz SNOOIFJJIHMVAX-UHFFFAOYSA-N 0 0 380.154 2.758 20 5 GFBDRN COc1c(S(=O)(=O)N2[C@@H](C)C[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000530478972 564883604 /nfs/dbraw/zinc/88/36/04/564883604.db2.gz IZCNDSCNRKFMKS-YUMQZZPRSA-N 0 0 393.259 2.846 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCCCO1 ZINC000530520361 564885814 /nfs/dbraw/zinc/88/58/14/564885814.db2.gz WGFKNCZFIOOHOG-UHFFFAOYSA-N 0 0 376.150 2.757 20 5 GFBDRN C[C@H]1CCC[C@@H](CO)N1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460079 564901356 /nfs/dbraw/zinc/90/13/56/564901356.db2.gz WZMSWEYWIRDPDM-GWCFXTLKSA-N 0 0 390.221 2.935 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464324601 564903308 /nfs/dbraw/zinc/90/33/08/564903308.db2.gz OWOCZXJFEHPRQN-UHFFFAOYSA-N 0 0 399.632 2.792 20 5 GFBDRN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464375097 564904849 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C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1n[nH]cc1Br ZINC000531969665 564925824 /nfs/dbraw/zinc/92/58/24/564925824.db2.gz CNRCCYWRZASUQK-SECBINFHSA-N 0 0 382.218 2.587 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000559246487 564927848 /nfs/dbraw/zinc/92/78/48/564927848.db2.gz JPECAMHASFGAFO-UHFFFAOYSA-N 0 0 382.829 2.607 20 5 GFBDRN COCC[C@]1(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCOC1 ZINC000560098967 564949212 /nfs/dbraw/zinc/94/92/12/564949212.db2.gz NRZLAOXDCUEMLK-HNNXBMFYSA-N 0 0 387.230 2.591 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000467073087 564955238 /nfs/dbraw/zinc/95/52/38/564955238.db2.gz QFINHRHULDWOSC-NSHDSACASA-N 0 0 384.435 2.984 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000467390923 564961828 /nfs/dbraw/zinc/96/18/28/564961828.db2.gz ABBZTRWMKXSQJR-LBPRGKRZSA-N 0 0 375.497 2.607 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@H](C)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467397560 564961961 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CCc1noc(COc2ccc(I)cc2[N+](=O)[O-])n1 ZINC000614071435 565094525 /nfs/dbraw/zinc/09/45/25/565094525.db2.gz DOXWTBDXCJIKCN-UHFFFAOYSA-N 0 0 375.122 2.724 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000586772277 565116251 /nfs/dbraw/zinc/11/62/51/565116251.db2.gz RZDDRQHCVMMAOO-MFKMUULPSA-N 0 0 382.360 2.552 20 5 GFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCn1cc(Br)cn1 ZINC000586825244 565118170 /nfs/dbraw/zinc/11/81/70/565118170.db2.gz YPVNNKLQSRLCLT-UHFFFAOYSA-N 0 0 381.230 2.645 20 5 GFBDRN O=C(N1CCCC1)[C@]1(O)CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000588060346 565123975 /nfs/dbraw/zinc/12/39/75/565123975.db2.gz MHOPSYRQYZLIBW-INIZCTEOSA-N 0 0 388.251 2.855 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000614830018 565134314 /nfs/dbraw/zinc/13/43/14/565134314.db2.gz FPZLHUZNERWYGH-ZDUSSCGKSA-N 0 0 382.360 2.546 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(Br)cccn12 ZINC000588868571 565141900 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CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592704699 565289906 /nfs/dbraw/zinc/28/99/06/565289906.db2.gz ULWNVCRXKQSSMU-RTXFEEFZSA-N 0 0 389.271 2.996 20 5 GFBDRN C[C@@H]1SCC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592736027 565290725 /nfs/dbraw/zinc/29/07/25/565290725.db2.gz PPSCLLDABIABBC-CPCISQLKSA-N 0 0 392.218 2.823 20 5 GFBDRN Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593547593 565340313 /nfs/dbraw/zinc/34/03/13/565340313.db2.gz XMRUSPYCOGOJES-HNNXBMFYSA-N 0 0 379.463 2.777 20 5 GFBDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCC2 ZINC000593565424 565342897 /nfs/dbraw/zinc/34/28/97/565342897.db2.gz HZCDVQUDHDKPKM-GFCCVEGCSA-N 0 0 382.467 2.707 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCc1nc(C)cs1 ZINC000619481298 565343466 /nfs/dbraw/zinc/34/34/66/565343466.db2.gz BVFONKSCBPLQPI-UHFFFAOYSA-N 0 0 385.467 2.670 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COc2c1cccc2Cl ZINC000619490777 565345089 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20 5 GFBDRN CCc1nn(C)c(N2CCN(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000596455762 565525054 /nfs/dbraw/zinc/52/50/54/565525054.db2.gz BOKBLNLPIZKPCX-UHFFFAOYSA-N 0 0 394.273 2.980 20 5 GFBDRN Cc1c(Br)c(N2CC[C@@H](CN3CCCC3=O)C2)ncc1[N+](=O)[O-] ZINC000596524610 565526313 /nfs/dbraw/zinc/52/63/13/565526313.db2.gz AXEGEKUMRQHORA-NSHDSACASA-N 0 0 383.246 2.509 20 5 GFBDRN Nc1c(NC(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090159 565551666 /nfs/dbraw/zinc/55/16/66/565551666.db2.gz HZQWSBSTIWHFJM-UPONEAKYSA-N 0 0 382.726 2.607 20 5 GFBDRN Nc1c(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597105053 565551879 /nfs/dbraw/zinc/55/18/79/565551879.db2.gz VEKUKAALWDCDSB-GZMMTYOYSA-N 0 0 382.726 2.750 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(Cc3c(F)cncc3Br)CC2)n1 ZINC000597119774 565552762 /nfs/dbraw/zinc/55/27/62/565552762.db2.gz YFFOIKAXJJOVSD-UHFFFAOYSA-N 0 0 384.209 2.925 20 5 GFBDRN O=C(NCCC1CSC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000597789560 565575425 /nfs/dbraw/zinc/57/54/25/565575425.db2.gz NSRGYYDWDDFZKI-UHFFFAOYSA-N 0 0 392.218 2.682 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000598231478 565603658 /nfs/dbraw/zinc/60/36/58/565603658.db2.gz SUPHGGXDXYRXTL-CYBMUJFWSA-N 0 0 380.198 2.899 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000598231479 565603999 /nfs/dbraw/zinc/60/39/99/565603999.db2.gz SUPHGGXDXYRXTL-ZDUSSCGKSA-N 0 0 380.198 2.899 20 5 GFBDRN CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2cc(Br)ccc21 ZINC000598234981 565604736 /nfs/dbraw/zinc/60/47/36/565604736.db2.gz YYUYKNYUBHPZNJ-UHFFFAOYSA-N 0 0 379.214 2.878 20 5 GFBDRN CCS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000598383495 565611900 /nfs/dbraw/zinc/61/19/00/565611900.db2.gz TWLJARPODVFEDT-UHFFFAOYSA-N 0 0 386.495 2.792 20 5 GFBDRN Cc1nn(C)c(C(=O)N2CC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598423490 565615867 /nfs/dbraw/zinc/61/58/67/565615867.db2.gz LTTQDXPKXIGXTO-LBPRGKRZSA-N 0 0 379.214 2.986 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000598597796 565629323 /nfs/dbraw/zinc/62/93/23/565629323.db2.gz IMMAHVNNMITRMD-ZDUSSCGKSA-N 0 0 383.495 2.854 20 5 GFBDRN CCC1(CC)CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC[S@]1=O ZINC000598606514 565629330 /nfs/dbraw/zinc/62/93/30/565629330.db2.gz GPFMENOEGMZEPL-XMMPIXPASA-N 0 0 388.511 2.523 20 5 GFBDRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598765494 565641505 /nfs/dbraw/zinc/64/15/05/565641505.db2.gz QWGGIPNQCCCDEE-KDGBHJTFSA-N 0 0 389.271 2.777 20 5 GFBDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599016660 565653560 /nfs/dbraw/zinc/65/35/60/565653560.db2.gz MPWXTDDOQGPQIL-LLVKDONJSA-N 0 0 391.225 2.743 20 5 GFBDRN Cn1cc([C@@H]2C[C@H](Nc3ncc([N+](=O)[O-])cc3Br)CCO2)cn1 ZINC000599105568 565656483 /nfs/dbraw/zinc/65/64/83/565656483.db2.gz DDSVWHPJMUJFRE-MFKMUULPSA-N 0 0 382.218 2.818 20 5 GFBDRN NS(=O)(=O)c1cccc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1[N+](=O)[O-] ZINC000599122820 565658041 /nfs/dbraw/zinc/65/80/41/565658041.db2.gz GJJDOHVPYJTAJD-NILFDRSVSA-N 0 0 379.825 2.646 20 5 GFBDRN COCCC1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000599371020 565672086 /nfs/dbraw/zinc/67/20/86/565672086.db2.gz IVXUWSWIMJJFDC-UHFFFAOYSA-N 0 0 376.862 2.994 20 5 GFBDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459855 565680615 /nfs/dbraw/zinc/68/06/15/565680615.db2.gz OSFCVMVARBZASZ-LOKDSWTASA-N 0 0 382.360 2.704 20 5 GFBDRN Cc1noc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000599573804 565690410 /nfs/dbraw/zinc/69/04/10/565690410.db2.gz YGJHJYJOQZKDOF-INIZCTEOSA-N 0 0 396.241 2.663 20 5 GFBDRN COC(=O)[C@](C)(NCc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599641892 565695429 /nfs/dbraw/zinc/69/54/29/565695429.db2.gz COJNPPYMYCGMJX-MRXNPFEDSA-N 0 0 394.225 2.930 20 5 GFBDRN COCCCn1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000599918158 565705844 /nfs/dbraw/zinc/70/58/44/565705844.db2.gz 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GFBDRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000753873092 655860498 /nfs/dbraw/zinc/86/04/98/655860498.db2.gz YSEUMAJWXABWDR-GWCFXTLKSA-N 0 0 377.802 2.689 20 5 GFBDRN O=C(OCC[C@H]1CCOC1=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000754116818 655863926 /nfs/dbraw/zinc/86/39/26/655863926.db2.gz WDZYNBSPBQYWCW-SSDOTTSWSA-N 0 0 376.134 2.606 20 5 GFBDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000754153820 655864410 /nfs/dbraw/zinc/86/44/10/655864410.db2.gz JJDKTMGEFKPDJG-CPJLOUKISA-N 0 0 382.873 2.770 20 5 GFBDRN Cc1nc(Cl)sc1C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000754575330 655869931 /nfs/dbraw/zinc/86/99/31/655869931.db2.gz NMKHNARRIJNZEM-LLVKDONJSA-N 0 0 381.797 2.975 20 5 GFBDRN COCC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000754584261 655870017 /nfs/dbraw/zinc/87/00/17/655870017.db2.gz CCBDMDNAGBKMRE-MRVPVSSYSA-N 0 0 379.150 2.781 20 5 GFBDRN NC(=O)[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000754826892 655874802 /nfs/dbraw/zinc/87/48/02/655874802.db2.gz XDJWQTHWVVAXAI-CQSZACIVSA-N 0 0 393.193 2.611 20 5 GFBDRN NC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000754849956 655875274 /nfs/dbraw/zinc/87/52/74/655875274.db2.gz OXXRHEHJHHOTAR-AWEZNQCLSA-N 0 0 393.193 2.611 20 5 GFBDRN O=C(NCCOCC(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754976775 655877771 /nfs/dbraw/zinc/87/77/71/655877771.db2.gz LMWFCMSNCRCKNA-UHFFFAOYSA-N 0 0 389.099 2.805 20 5 GFBDRN COC(=O)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013941 655878444 /nfs/dbraw/zinc/87/84/44/655878444.db2.gz SRBZTQPJLQJTBE-UHFFFAOYSA-N 0 0 377.166 2.568 20 5 GFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000756950469 655907756 /nfs/dbraw/zinc/90/77/56/655907756.db2.gz DVYKQMAUBOQGFK-JTQLQIEISA-N 0 0 380.754 2.684 20 5 GFBDRN CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756998114 655908636 /nfs/dbraw/zinc/90/86/36/655908636.db2.gz WGFYZLKYKLCWEJ-CQSZACIVSA-N 0 0 385.873 2.956 20 5 GFBDRN CN(c1ccccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000757702210 655915436 /nfs/dbraw/zinc/91/54/36/655915436.db2.gz NFSUEECIYHFCHS-UHFFFAOYSA-N 0 0 383.813 2.896 20 5 GFBDRN Cc1cccc(NC(=S)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000757934526 655919064 /nfs/dbraw/zinc/91/90/64/655919064.db2.gz CFDVIMBGGIPYPI-UHFFFAOYSA-N 0 0 379.463 2.664 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000758438406 655932781 /nfs/dbraw/zinc/93/27/81/655932781.db2.gz NFAGHJKMLGDYBC-SECBINFHSA-N 0 0 382.916 2.684 20 5 GFBDRN COC(=O)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCCC1 ZINC000758522991 655934775 /nfs/dbraw/zinc/93/47/75/655934775.db2.gz AEXVOVKSLDVYSI-UHFFFAOYSA-N 0 0 385.214 2.821 20 5 GFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](O)c1c(Cl)cccc1Cl ZINC000758541912 655935054 /nfs/dbraw/zinc/93/50/54/655935054.db2.gz JIBSOHZKAWLEDT-CPFSXVBKSA-N 0 0 385.207 2.731 20 5 GFBDRN CON(C1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000758645360 655937705 /nfs/dbraw/zinc/93/77/05/655937705.db2.gz OTRPLFLZYOAXAR-UHFFFAOYSA-N 0 0 379.232 2.852 20 5 GFBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000759214700 655950646 /nfs/dbraw/zinc/95/06/46/655950646.db2.gz QPERQKKWNPJNJB-SECBINFHSA-N 0 0 386.246 2.733 20 5 GFBDRN Cn1ncc(C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)c1Br ZINC000759642874 655960416 /nfs/dbraw/zinc/96/04/16/655960416.db2.gz QCQGWOHPXSJYQY-UHFFFAOYSA-N 0 0 384.186 2.717 20 5 GFBDRN CCc1nc(N)sc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759794533 655963336 /nfs/dbraw/zinc/96/33/36/655963336.db2.gz SGZHYKVLYBGXBB-UHFFFAOYSA-N 0 0 384.801 2.645 20 5 GFBDRN O=C(COC(=O)C[C@@H]1CSCCS1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000759799181 655963609 /nfs/dbraw/zinc/96/36/09/655963609.db2.gz GERLPYUITQGLPY-SNVBAGLBSA-N 0 0 390.870 2.969 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000759809033 655964152 /nfs/dbraw/zinc/96/41/52/655964152.db2.gz VCYDPCKPLLFTRI-JTQLQIEISA-N 0 0 378.834 2.517 20 5 GFBDRN COCCNc1ccc(S(C)(=O)=O)cc1NCc1csc([N+](=O)[O-])c1 ZINC000760464654 655981754 /nfs/dbraw/zinc/98/17/54/655981754.db2.gz KALBEZMMLQGXNT-UHFFFAOYSA-N 0 0 385.467 2.730 20 5 GFBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cnc(Cl)s1 ZINC000760473801 655982001 /nfs/dbraw/zinc/98/20/01/655982001.db2.gz HXZJADNQFCOESO-UHFFFAOYSA-N 0 0 390.204 2.831 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1Br ZINC000760789575 655991877 /nfs/dbraw/zinc/99/18/77/655991877.db2.gz OLXVZLLHFIRNKT-SNVBAGLBSA-N 0 0 383.198 2.531 20 5 GFBDRN CCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOCC1 ZINC000761336277 656012049 /nfs/dbraw/zinc/01/20/49/656012049.db2.gz YJGKDIKBBJWBTM-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN CNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000761731574 656020254 /nfs/dbraw/zinc/02/02/54/656020254.db2.gz SBMZUXUUZUVWEF-ZETCQYMHSA-N 0 0 384.801 2.930 20 5 GFBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1Br ZINC000761983209 656027149 /nfs/dbraw/zinc/02/71/49/656027149.db2.gz NBMQEEUPXGXNIK-SECBINFHSA-N 0 0 394.181 2.936 20 5 GFBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Br)cc1 ZINC000761987084 656027372 /nfs/dbraw/zinc/02/73/72/656027372.db2.gz RIZSJVZUYXNVLP-SECBINFHSA-N 0 0 394.181 2.936 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc[n+]([O-])c3)n2)c(Br)c1 ZINC000762263460 656037755 /nfs/dbraw/zinc/03/77/55/656037755.db2.gz VQQZQXKJKQDCHV-UHFFFAOYSA-N 0 0 377.154 2.632 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762521183 656045680 /nfs/dbraw/zinc/04/56/80/656045680.db2.gz CMSOTNLEZKFZSL-CDMKHQONSA-N 0 0 394.927 2.906 20 5 GFBDRN Cc1nccn1C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000840950291 661217043 /nfs/dbraw/zinc/21/70/43/661217043.db2.gz GQQZKHPSRPDDSS-SNVBAGLBSA-N 0 0 386.861 2.676 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763261251 656077750 /nfs/dbraw/zinc/07/77/50/656077750.db2.gz IREBQIKIOXDYMV-UHFFFAOYSA-N 0 0 387.135 2.610 20 5 GFBDRN COC(=O)c1ccncc1OS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000763342535 656079988 /nfs/dbraw/zinc/07/99/88/656079988.db2.gz BPDBAEJFNLBABC-UHFFFAOYSA-N 0 0 386.769 2.506 20 5 GFBDRN COC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000763706995 656091485 /nfs/dbraw/zinc/09/14/85/656091485.db2.gz UNCFYRMHBWYYOX-UHFFFAOYSA-N 0 0 381.138 2.758 20 5 GFBDRN C[C@H](OC(=O)c1cccc(Br)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763769964 656093257 /nfs/dbraw/zinc/09/32/57/656093257.db2.gz AWXLHNYPFDPDOA-VIFPVBQESA-N 0 0 394.181 2.936 20 5 GFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764263279 656107044 /nfs/dbraw/zinc/10/70/44/656107044.db2.gz OCOSZSWDLVNPEA-UHFFFAOYSA-N 0 0 382.825 2.593 20 5 GFBDRN CO[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCOC1 ZINC000764453761 656110897 /nfs/dbraw/zinc/11/08/97/656110897.db2.gz KJNGJJYOSLIOKD-CYBMUJFWSA-N 0 0 393.621 2.546 20 5 GFBDRN Cc1c(Br)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)n1C ZINC000764743071 656118502 /nfs/dbraw/zinc/11/85/02/656118502.db2.gz LKQAMRQHKLFYCL-UHFFFAOYSA-N 0 0 384.161 2.756 20 5 GFBDRN Cc1ccnc(COC(=O)c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000766150297 656162891 /nfs/dbraw/zinc/16/28/91/656162891.db2.gz FZDZHZGYRGHXDW-UHFFFAOYSA-N 0 0 399.144 2.655 20 5 GFBDRN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000766578367 656176582 /nfs/dbraw/zinc/17/65/82/656176582.db2.gz VHQRDZALYCMGKV-LURJTMIESA-N 0 0 391.165 2.977 20 5 GFBDRN O=C(N[C@@H]1CCCCC12OCCO2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000766587471 656176960 /nfs/dbraw/zinc/17/69/60/656176960.db2.gz ZWGRYBAYKALMDC-CYBMUJFWSA-N 0 0 385.214 2.773 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(NCCC2CCS(=O)(=O)CC2)cc1Cl ZINC000768519287 656240855 /nfs/dbraw/zinc/24/08/55/656240855.db2.gz UIIYUMVVGPHDNW-UHFFFAOYSA-N 0 0 390.845 2.662 20 5 GFBDRN COc1ccc(S(=O)(=O)Oc2c(F)cc(Cl)cc2C=O)c([N+](=O)[O-])c1 ZINC000768561076 656241974 /nfs/dbraw/zinc/24/19/74/656241974.db2.gz BXONTWXQAHSUQU-UHFFFAOYSA-N 0 0 389.744 2.976 20 5 GFBDRN O=C(COC(=O)c1n[nH]c(C2CC2)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000768633295 656246795 /nfs/dbraw/zinc/24/67/95/656246795.db2.gz SLECGKMCSQLBDP-UHFFFAOYSA-N 0 0 394.181 2.998 20 5 GFBDRN CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768841340 656255063 /nfs/dbraw/zinc/25/50/63/656255063.db2.gz FTONITVCFNXUQS-UHFFFAOYSA-N 0 0 384.435 2.906 20 5 GFBDRN CC(C)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000768857820 656256612 /nfs/dbraw/zinc/25/66/12/656256612.db2.gz KCEQSGQBPKOTPD-NSHDSACASA-N 0 0 378.472 2.691 20 5 GFBDRN COC(=O)[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768866475 656257709 /nfs/dbraw/zinc/25/77/09/656257709.db2.gz SUFYHFYLWVWVSI-GFCCVEGCSA-N 0 0 382.419 2.512 20 5 GFBDRN COc1ccc([C@H](OC)[C@@H](C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768880219 656258237 /nfs/dbraw/zinc/25/82/37/656258237.db2.gz AMWBLXFKSIVIGL-MEBBXXQBSA-N 0 0 386.451 2.719 20 5 GFBDRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768880939 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ZINC000286193998 563551574 /nfs/dbraw/zinc/55/15/74/563551574.db2.gz JWDPMKWBIIOFTI-GHMZBOCLSA-N 0 0 378.372 2.950 20 5 GFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000286227136 563553075 /nfs/dbraw/zinc/55/30/75/563553075.db2.gz DKMZWPXUZURAGD-NSHDSACASA-N 0 0 398.135 2.684 20 5 GFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000286245038 563553399 /nfs/dbraw/zinc/55/33/99/563553399.db2.gz FPTJRDCWEHAJJK-LLVKDONJSA-N 0 0 398.135 2.684 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000331608518 563555428 /nfs/dbraw/zinc/55/54/28/563555428.db2.gz NITUAHHOXQXHOG-ZDUSSCGKSA-N 0 0 384.845 2.990 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000408446053 563556859 /nfs/dbraw/zinc/55/68/59/563556859.db2.gz GFZBAEMGTLBWMU-UHFFFAOYSA-N 0 0 395.300 2.873 20 5 GFBDRN CC(C)(C(=O)N1CCc2ccc(Br)cc21)n1cc([N+](=O)[O-])cn1 ZINC000331715003 563558943 /nfs/dbraw/zinc/55/89/43/563558943.db2.gz HIUQUYZDLSISRH-UHFFFAOYSA-N 0 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563594333 /nfs/dbraw/zinc/59/43/33/563594333.db2.gz IHHZXSPRUDJWIG-VIFPVBQESA-N 0 0 393.133 2.894 20 5 GFBDRN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(Br)cn1 ZINC000432996798 563599594 /nfs/dbraw/zinc/59/95/94/563599594.db2.gz IIZUOISFVKLQCQ-QMMMGPOBSA-N 0 0 377.202 2.874 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])c1 ZINC000433478294 563613544 /nfs/dbraw/zinc/61/35/44/563613544.db2.gz BWFSWQYPZUGPQL-CYBMUJFWSA-N 0 0 386.495 2.626 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000434757465 563637241 /nfs/dbraw/zinc/63/72/41/563637241.db2.gz NFEVCPZBJAEFQU-CYBMUJFWSA-N 0 0 387.889 2.852 20 5 GFBDRN CCC[C@]1(CO)CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000288454399 563644332 /nfs/dbraw/zinc/64/43/32/563644332.db2.gz RTUPASDZOIOONP-HNNXBMFYSA-N 0 0 376.862 2.730 20 5 GFBDRN Cc1c(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330822 563648206 /nfs/dbraw/zinc/64/82/06/563648206.db2.gz WPHMDVBNDHKQDC-MWLCHTKSSA-N 0 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O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000289673633 563682819 /nfs/dbraw/zinc/68/28/19/563682819.db2.gz CFPPDSNPPQXOIB-DGCLKSJQSA-N 0 0 378.809 2.719 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(COC[C@@H]3CCOC3)no2)c(Br)c1 ZINC000351416081 563689700 /nfs/dbraw/zinc/68/97/00/563689700.db2.gz QOUBJHXIVJLCQM-SECBINFHSA-N 0 0 384.186 2.960 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCOc1ncccc1F ZINC000437334338 563694052 /nfs/dbraw/zinc/69/40/52/563694052.db2.gz VJAIDPUHQQIYEF-UHFFFAOYSA-N 0 0 398.188 2.629 20 5 GFBDRN CCCN(CC(F)F)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290177079 563700677 /nfs/dbraw/zinc/70/06/77/563700677.db2.gz FOFMWIPZKGEVKF-UHFFFAOYSA-N 0 0 394.172 2.800 20 5 GFBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccsc1Cl ZINC000438570246 563707467 /nfs/dbraw/zinc/70/74/67/563707467.db2.gz WPWDKVMMQYREGF-UHFFFAOYSA-N 0 0 389.842 2.617 20 5 GFBDRN Cc1cccc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1Br ZINC000438972642 563714630 /nfs/dbraw/zinc/71/46/30/563714630.db2.gz ITHZBUILAWSMQM-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN CCOC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290645654 563717005 /nfs/dbraw/zinc/71/70/05/563717005.db2.gz DOLIISSCSRARMI-VIFPVBQESA-N 0 0 383.253 2.949 20 5 GFBDRN COC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000290698346 563718417 /nfs/dbraw/zinc/71/84/17/563718417.db2.gz IJBBDXYTJVNJDG-VIFPVBQESA-N 0 0 383.253 2.949 20 5 GFBDRN CN1C(=O)CSC12CCN(c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000363780437 563733103 /nfs/dbraw/zinc/73/31/03/563733103.db2.gz VVHCVQLSUPSLDD-UHFFFAOYSA-N 0 0 386.271 2.859 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000291399321 563741609 /nfs/dbraw/zinc/74/16/09/563741609.db2.gz ZVAQHLYPAQHTIN-SNVBAGLBSA-N 0 0 393.184 2.755 20 5 GFBDRN O=C(NC[C@H]1COC2(CCOCC2)O1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291926162 563764626 /nfs/dbraw/zinc/76/46/26/563764626.db2.gz ZAGQAGISVIXKAK-JTQLQIEISA-N 0 0 391.207 2.554 20 5 GFBDRN Cc1ccc(Br)nc1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365293021 563780267 /nfs/dbraw/zinc/78/02/67/563780267.db2.gz TXLGDHMJMOAXLQ-LLVKDONJSA-N 0 0 394.229 2.735 20 5 GFBDRN COCC[C@H]1COCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000365815092 563794329 /nfs/dbraw/zinc/79/43/29/563794329.db2.gz UNEGFPACEWVIRO-LBPRGKRZSA-N 0 0 388.218 2.627 20 5 GFBDRN O=C(COc1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCCN1C(=O)C(F)(F)F ZINC000292770106 563795444 /nfs/dbraw/zinc/79/54/44/563795444.db2.gz XLAYDNFFNKWMIY-SECBINFHSA-N 0 0 380.706 2.749 20 5 GFBDRN C[C@H]1CC[C@H](C(N)=O)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443444540 563805407 /nfs/dbraw/zinc/80/54/07/563805407.db2.gz OVBJKLBAHSQLED-UWVGGRQHSA-N 0 0 393.241 2.996 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[C@@H](n2cccn2)C1 ZINC000366372392 563806971 /nfs/dbraw/zinc/80/69/71/563806971.db2.gz CIIIRCQEECUWIE-SECBINFHSA-N 0 0 383.177 2.780 20 5 GFBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000443508528 563807461 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392.836 2.967 20 5 GFBDRN CC[C@@]1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416476819 563835115 /nfs/dbraw/zinc/83/51/15/563835115.db2.gz ZIEQSACKMABDRZ-ZDUSSCGKSA-N 0 0 382.360 2.803 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@]12CCOC2 ZINC000416481728 563835794 /nfs/dbraw/zinc/83/57/94/563835794.db2.gz VVKAOWUAKZBFMU-CYBMUJFWSA-N 0 0 380.344 2.557 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c(C)cc1[N+](=O)[O-] ZINC000416485030 563836455 /nfs/dbraw/zinc/83/64/55/563836455.db2.gz YKCVOAFJNPKJPC-ZDUSSCGKSA-N 0 0 384.845 2.697 20 5 GFBDRN CNC(=O)c1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000444850896 563838178 /nfs/dbraw/zinc/83/81/78/563838178.db2.gz AHQWIIIQMMJEJH-UHFFFAOYSA-N 0 0 398.238 2.708 20 5 GFBDRN COc1cccc2c1C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000416551088 563846906 /nfs/dbraw/zinc/84/69/06/563846906.db2.gz SFULBGUNDPJPGH-NSHDSACASA-N 0 0 382.825 2.703 20 5 GFBDRN Cc1ncc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)c(N)n1 ZINC000445472401 563849619 /nfs/dbraw/zinc/84/96/19/563849619.db2.gz KOCZMZPDWRMTRC-UHFFFAOYSA-N 0 0 377.158 2.585 20 5 GFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367638286 563851039 /nfs/dbraw/zinc/85/10/39/563851039.db2.gz OHLKVBOHHYOQGB-ZDUSSCGKSA-N 0 0 380.706 2.816 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000368023755 563862034 /nfs/dbraw/zinc/86/20/34/563862034.db2.gz UMXQDJQCVKHJBC-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCOC[C@@H]2c2ccco2)cc1Cl ZINC000368135540 563865129 /nfs/dbraw/zinc/86/51/29/563865129.db2.gz QMNWGLOHVZBKSX-GFCCVEGCSA-N 0 0 390.776 2.743 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)c(Br)c1 ZINC000446958695 563870918 /nfs/dbraw/zinc/87/09/18/563870918.db2.gz RJUQHVFKALXCIC-UHFFFAOYSA-N 0 0 377.241 2.897 20 5 GFBDRN [NH3+]C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000447251131 563877948 /nfs/dbraw/zinc/87/79/48/563877948.db2.gz SSAJUIZZYDWPAH-LLVKDONJSA-N 0 0 382.269 2.697 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1NCc1cccnc1-n1cncn1 ZINC000368891563 563881125 /nfs/dbraw/zinc/88/11/25/563881125.db2.gz GRBUBDZTENDTQW-UHFFFAOYSA-N 0 0 375.186 2.945 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447933669 563891165 /nfs/dbraw/zinc/89/11/65/563891165.db2.gz UWFSBXYZTXULHP-LBPRGKRZSA-N 0 0 394.902 2.781 20 5 GFBDRN O=C(N[C@H]1CCN(c2cccnc2)C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000369343839 563892951 /nfs/dbraw/zinc/89/29/51/563892951.db2.gz NHWZXZIBGGCIFS-VIFPVBQESA-N 0 0 397.254 2.823 20 5 GFBDRN CC[C@@H]1[C@H](CO)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421065 564186038 /nfs/dbraw/zinc/18/60/38/564186038.db2.gz KTAQWWGWKPJMJQ-SMDDNHRTSA-N 0 0 390.221 2.792 20 5 GFBDRN NC(=O)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000471144182 564187331 /nfs/dbraw/zinc/18/73/31/564187331.db2.gz VZYNHRUXQUXKOH-CYBMUJFWSA-N 0 0 393.197 2.705 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000471191221 564188389 /nfs/dbraw/zinc/18/83/89/564188389.db2.gz MJFDCQJPKVCGHT-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN Cc1noc([C@@H](C)N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000563415907 564190254 /nfs/dbraw/zinc/19/02/54/564190254.db2.gz HDHQWKFVMUFOHI-ZCFIWIBFSA-N 0 0 395.224 2.975 20 5 GFBDRN O=C(COc1ccccc1[N+](=O)[O-])NCCCCn1cc(Br)cn1 ZINC000471283207 564191551 /nfs/dbraw/zinc/19/15/51/564191551.db2.gz NUZQPXWGSOCOQT-UHFFFAOYSA-N 0 0 397.229 2.529 20 5 GFBDRN O=C(NCc1nc(CO)cs1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505958377 564193577 /nfs/dbraw/zinc/19/35/77/564193577.db2.gz HECXSGKTCCRYGN-UHFFFAOYSA-N 0 0 376.419 2.597 20 5 GFBDRN COc1cnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(Br)c1 ZINC000563543998 564196276 /nfs/dbraw/zinc/19/62/76/564196276.db2.gz YBJQGUJFRGWNAB-UHFFFAOYSA-N 0 0 396.153 2.742 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000539138578 564211265 /nfs/dbraw/zinc/21/12/65/564211265.db2.gz BMXGRARZRBISQX-OTYXRUKQSA-N 0 0 397.229 2.597 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)F ZINC000506917253 564214496 /nfs/dbraw/zinc/21/44/96/564214496.db2.gz LQNUVSUXPKTIGD-ZETCQYMHSA-N 0 0 380.157 2.986 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000539503417 564221960 /nfs/dbraw/zinc/22/19/60/564221960.db2.gz FEVLHEOHUGWCNY-UHFFFAOYSA-N 0 0 383.495 2.977 20 5 GFBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000472931550 564237167 /nfs/dbraw/zinc/23/71/67/564237167.db2.gz WAVZXORQOTVXFD-APPZFPTMSA-N 0 0 379.722 2.986 20 5 GFBDRN CS[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000450680192 564243979 /nfs/dbraw/zinc/24/39/79/564243979.db2.gz KXPIWMXWQXLDMO-CYBMUJFWSA-N 0 0 385.511 2.711 20 5 GFBDRN Cc1cc(N2CCN(Cc3ncc[nH]3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473510846 564248953 /nfs/dbraw/zinc/24/89/53/564248953.db2.gz VDHCGZAKFNCABF-UHFFFAOYSA-N 0 0 380.246 2.711 20 5 GFBDRN COC(=O)c1n[nH]c2c1CN(c1cc(C)c([N+](=O)[O-])cc1Br)CC2 ZINC000450819695 564249715 /nfs/dbraw/zinc/24/97/15/564249715.db2.gz LRTSGDGVQBMSDJ-UHFFFAOYSA-N 0 0 395.213 2.738 20 5 GFBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000540894589 564259449 /nfs/dbraw/zinc/25/94/49/564259449.db2.gz ATOLWKVKAQDPKP-QMTHXVAHSA-N 0 0 385.829 2.698 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000541125814 564266994 /nfs/dbraw/zinc/26/69/94/564266994.db2.gz IBZMDQUIIZSGMT-UHFFFAOYSA-N 0 0 381.237 2.703 20 5 GFBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCc2sc(Cl)cc21 ZINC000565134113 564267530 /nfs/dbraw/zinc/26/75/30/564267530.db2.gz CJYOGDBHABMHID-LBPRGKRZSA-N 0 0 379.825 2.843 20 5 GFBDRN COC(=O)c1ccc(Br)cc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000509073584 564280996 /nfs/dbraw/zinc/28/09/96/564280996.db2.gz CLCMONKYOGFUHY-UHFFFAOYSA-N 0 0 381.182 2.662 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@]1(CCO)CCOC1 ZINC000474775756 564289225 /nfs/dbraw/zinc/28/92/25/564289225.db2.gz UAVQDCNLKYNSGI-MRXNPFEDSA-N 0 0 396.241 2.528 20 5 GFBDRN Cc1nn(C)cc1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000475027974 564297305 /nfs/dbraw/zinc/29/73/05/564297305.db2.gz ABWVBJZOCPRBDV-UHFFFAOYSA-N 0 0 376.214 2.981 20 5 GFBDRN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1S(C)(=O)=O ZINC000475065431 564299406 /nfs/dbraw/zinc/29/94/06/564299406.db2.gz RYAGJCIGQYIVAY-UHFFFAOYSA-N 0 0 380.447 2.753 20 5 GFBDRN COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000542220423 564305232 /nfs/dbraw/zinc/30/52/32/564305232.db2.gz NDLZBGQLLAAQDF-UHFFFAOYSA-N 0 0 399.172 2.801 20 5 GFBDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000509831345 564314865 /nfs/dbraw/zinc/31/48/65/564314865.db2.gz ZXFCITCHQSZBSQ-AMIZOPFISA-N 0 0 387.230 2.983 20 5 GFBDRN CCN(CC)C(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000542508287 564316215 /nfs/dbraw/zinc/31/62/15/564316215.db2.gz RTGPKNZUUMQRBS-NSHDSACASA-N 0 0 385.262 2.898 20 5 GFBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(F)(F)F ZINC000475729356 564316985 /nfs/dbraw/zinc/31/69/85/564316985.db2.gz WVSAXSYADBJBKA-SNVBAGLBSA-N 0 0 381.376 2.990 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F ZINC000542584990 564318824 /nfs/dbraw/zinc/31/88/24/564318824.db2.gz PEKBYAZIJHRPDX-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN COC(=O)c1ccc(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000510043308 564323495 /nfs/dbraw/zinc/32/34/95/564323495.db2.gz ISPXFHXQLZIASF-UHFFFAOYSA-N 0 0 397.181 2.975 20 5 GFBDRN O=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451562899 564325794 /nfs/dbraw/zinc/32/57/94/564325794.db2.gz IPZJFBRYFKOIKR-DTORHVGOSA-N 0 0 379.221 2.786 20 5 GFBDRN C[C@@]1(F)CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000451599571 564330150 /nfs/dbraw/zinc/33/01/50/564330150.db2.gz OSRFSTMIQHBCQZ-GFCCVEGCSA-N 0 0 381.223 2.870 20 5 GFBDRN C[C@@H]1[C@H](C)OCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566530693 564330414 /nfs/dbraw/zinc/33/04/14/564330414.db2.gz FPFNTKGSQZLDCM-ZJUUUORDSA-N 0 0 376.194 2.809 20 5 GFBDRN CCC[C@@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000510519517 564336635 /nfs/dbraw/zinc/33/66/35/564336635.db2.gz TZROFMNHOLDTHC-CYBMUJFWSA-N 0 0 393.259 2.595 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000451667947 564338539 /nfs/dbraw/zinc/33/85/39/564338539.db2.gz ZOCOSNKHWWRLRX-CYBMUJFWSA-N 0 0 384.841 2.784 20 5 GFBDRN COC(=O)c1oc(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1C ZINC000543148101 564340254 /nfs/dbraw/zinc/34/02/54/564340254.db2.gz ZCELUEWMXHFMNB-UHFFFAOYSA-N 0 0 385.170 2.564 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2ccc(Br)cc2C1 ZINC000510785287 564346676 /nfs/dbraw/zinc/34/66/76/564346676.db2.gz ZWGLPSNIUOKYIZ-UHFFFAOYSA-N 0 0 378.182 2.656 20 5 GFBDRN Cc1ccc(Cl)c(OC[C@H](O)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000543662414 564358335 /nfs/dbraw/zinc/35/83/35/564358335.db2.gz GZSUAKGZKFXMOZ-SECBINFHSA-N 0 0 390.621 2.956 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000543680565 564359305 /nfs/dbraw/zinc/35/93/05/564359305.db2.gz VGHJJIILMQSPHJ-OAHLLOKOSA-N 0 0 383.495 2.854 20 5 GFBDRN O=C(Cc1cccc(Br)c1)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477038757 564362682 /nfs/dbraw/zinc/36/26/82/564362682.db2.gz WAYBCDKOMCEQMW-UHFFFAOYSA-N 0 0 398.234 2.943 20 5 GFBDRN NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000477085255 564363502 /nfs/dbraw/zinc/36/35/02/564363502.db2.gz GHTHLKJYXAGXRG-UHFFFAOYSA-N 0 0 382.145 2.848 20 5 GFBDRN C[C@@H](O)C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000544027595 564371296 /nfs/dbraw/zinc/37/12/96/564371296.db2.gz DMXPPQKUDFRVSB-DTWKUNHWSA-N 0 0 387.223 2.977 20 5 GFBDRN CCCn1c(CO)nnc1Sc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544393666 564385251 /nfs/dbraw/zinc/38/52/51/564385251.db2.gz GMDGHWDQBZEWMQ-UHFFFAOYSA-N 0 0 388.247 2.706 20 5 GFBDRN CS(=O)(=O)Cc1ccccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000477794892 564388271 /nfs/dbraw/zinc/38/82/71/564388271.db2.gz RYYFOEWTJZKIHT-UHFFFAOYSA-N 0 0 380.447 2.870 20 5 GFBDRN COC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452103217 564392993 /nfs/dbraw/zinc/39/29/93/564392993.db2.gz VVBRQLJDNZTQJI-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn(C)cc1Br ZINC000452761119 564430515 /nfs/dbraw/zinc/43/05/15/564430515.db2.gz BXOZTSVBFSHJAQ-LBPRGKRZSA-N 0 0 395.257 2.976 20 5 GFBDRN Cc1nccn1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000513444736 564430604 /nfs/dbraw/zinc/43/06/04/564430604.db2.gz OZCKMVQSIQDWQL-UHFFFAOYSA-N 0 0 381.230 2.611 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C3CC3)C2)c1 ZINC000479393528 564439014 /nfs/dbraw/zinc/43/90/14/564439014.db2.gz RAOJIPATRAVQKF-SNVBAGLBSA-N 0 0 375.244 2.778 20 5 GFBDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513838779 564440171 /nfs/dbraw/zinc/44/01/71/564440171.db2.gz XRTPCVXRUYJIEL-QWHCGFSZSA-N 0 0 386.495 2.745 20 5 GFBDRN Cn1cc(Br)c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312654 564453168 /nfs/dbraw/zinc/45/31/68/564453168.db2.gz VPVBEIMWSBMIKV-YPMHNXCESA-N 0 0 383.250 2.561 20 5 GFBDRN CCC(=O)c1ccc(NCCNS(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000480095074 564460309 /nfs/dbraw/zinc/46/03/09/564460309.db2.gz OMBORSONYPMRJK-UHFFFAOYSA-N 0 0 383.451 2.639 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000480425858 564472837 /nfs/dbraw/zinc/47/28/37/564472837.db2.gz LCQLPPOZGDAMHZ-VXNVDRBHSA-N 0 0 386.323 2.704 20 5 GFBDRN COC(=O)C(C)(C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000569756002 564477086 /nfs/dbraw/zinc/47/70/86/564477086.db2.gz SSARPKJRFXBFPG-UHFFFAOYSA-N 0 0 387.230 2.985 20 5 GFBDRN CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000480700927 564483052 /nfs/dbraw/zinc/48/30/52/564483052.db2.gz SAUFPNNNAFFXQN-AWEZNQCLSA-N 0 0 380.246 2.964 20 5 GFBDRN O=C(Nc1cncc(F)c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000547372166 564485921 /nfs/dbraw/zinc/48/59/21/564485921.db2.gz MLQIOBQKZGAFNQ-UHFFFAOYSA-N 0 0 387.108 2.986 20 5 GFBDRN Cc1sc(S(=O)(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000547347613 564486126 /nfs/dbraw/zinc/48/61/26/564486126.db2.gz HZKDEKSUNULNCQ-UHFFFAOYSA-N 0 0 390.483 2.898 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000481068998 564502266 /nfs/dbraw/zinc/50/22/66/564502266.db2.gz JJXKPTWTRKJISC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN COc1ccc(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)cc1[N+](=O)[O-] ZINC000481859829 564526460 /nfs/dbraw/zinc/52/64/60/564526460.db2.gz ACZGENMEYXSLCU-UHFFFAOYSA-N 0 0 384.797 2.993 20 5 GFBDRN C[C@H](CC[S@](C)=O)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000482007558 564531513 /nfs/dbraw/zinc/53/15/13/564531513.db2.gz PPVYIOKABKQJOO-CLTRCRFRSA-N 0 0 386.271 2.896 20 5 GFBDRN NS(=O)(=O)c1c(NCc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000517357385 564532005 /nfs/dbraw/zinc/53/20/05/564532005.db2.gz JQUDFMAPHDKKBT-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000517670168 564539342 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NS(=O)(=O)c1c(NCc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000521148108 564621160 /nfs/dbraw/zinc/62/11/60/564621160.db2.gz TXJWKACKWJKRBZ-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN Cn1c(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ccc1[N+](=O)[O-] ZINC000521362899 564625835 /nfs/dbraw/zinc/62/58/35/564625835.db2.gz XSNLHPYDSOIZED-NSHDSACASA-N 0 0 393.241 2.705 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456714043 564626980 /nfs/dbraw/zinc/62/69/80/564626980.db2.gz WJQVVIQIJZMBER-CPCISQLKSA-N 0 0 397.147 2.743 20 5 GFBDRN CSc1cccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000486226494 564644425 /nfs/dbraw/zinc/64/44/25/564644425.db2.gz AXOGGOCXXQQRLY-UHFFFAOYSA-N 0 0 380.447 2.650 20 5 GFBDRN COc1ccc(Cl)cc1S(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000486255325 564646228 /nfs/dbraw/zinc/64/62/28/564646228.db2.gz WKCIJKWBSJUFFB-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551426698 564649837 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389.169 2.585 20 5 GFBDRN O=C(NCC1(c2ccccc2Br)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000525485337 564702898 /nfs/dbraw/zinc/70/28/98/564702898.db2.gz DBGAPMWPMYTCSB-UHFFFAOYSA-N 0 0 392.209 2.920 20 5 GFBDRN CC1(C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000488686652 564717260 /nfs/dbraw/zinc/71/72/60/564717260.db2.gz CXKACXFVIZFAPC-LLVKDONJSA-N 0 0 382.360 2.544 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)n1 ZINC000488716822 564718388 /nfs/dbraw/zinc/71/83/88/564718388.db2.gz RNNZEGNYIWOYKH-GFCCVEGCSA-N 0 0 377.198 2.888 20 5 GFBDRN COCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000488822982 564721878 /nfs/dbraw/zinc/72/18/78/564721878.db2.gz SVGPIZNIEZVXIZ-YPMHNXCESA-N 0 0 388.873 2.993 20 5 GFBDRN COCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000488878215 564723375 /nfs/dbraw/zinc/72/33/75/564723375.db2.gz LICOVFYMJDURSM-MFKMUULPSA-N 0 0 387.230 2.623 20 5 GFBDRN CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 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GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000490445121 564771366 /nfs/dbraw/zinc/77/13/66/564771366.db2.gz NMKKDEPZDOIIKB-LBPRGKRZSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000490519963 564774697 /nfs/dbraw/zinc/77/46/97/564774697.db2.gz KMBYTIDKXMZXGB-MEDUHNTESA-N 0 0 382.463 2.946 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOc2ccc(Cl)cc21 ZINC000460811852 564780928 /nfs/dbraw/zinc/78/09/28/564780928.db2.gz APTXESOURGWWBC-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN NS(=O)(=O)c1ccc(OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000555015195 564781163 /nfs/dbraw/zinc/78/11/63/564781163.db2.gz VOZFNIQYAXHRKC-UHFFFAOYSA-N 0 0 376.312 2.840 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCOc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000460842803 564781862 /nfs/dbraw/zinc/78/18/62/564781862.db2.gz NCCKWXLSDFYVRQ-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN COCc1nc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000460971382 564786368 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C[C@]1(O)CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582933725 564868405 /nfs/dbraw/zinc/86/84/05/564868405.db2.gz SLZXWYADTIWLGD-ZDUSSCGKSA-N 0 0 376.194 2.546 20 5 GFBDRN CCN1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000497936137 564880098 /nfs/dbraw/zinc/88/00/98/564880098.db2.gz QZAKZMJNNSFICG-QWRGUYRKSA-N 0 0 375.878 2.660 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Oc1ccc(Br)cc1 ZINC000464639711 564914037 /nfs/dbraw/zinc/91/40/37/564914037.db2.gz PHEWGCHBAGELEC-JTQLQIEISA-N 0 0 382.214 2.893 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OC(F)F)C1 ZINC000558960209 564919550 /nfs/dbraw/zinc/91/95/50/564919550.db2.gz RVUIYIDURHCYBL-NSHDSACASA-N 0 0 376.381 2.787 20 5 GFBDRN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000531805152 564921002 /nfs/dbraw/zinc/92/10/02/564921002.db2.gz GWJWWWFUAUOVDQ-UHFFFAOYSA-N 0 0 380.809 2.508 20 5 GFBDRN CC(C)CCSc1ccc(C(=O)N[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000499250975 564922152 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Cc1ncc2c(n1)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000532745806 564944410 /nfs/dbraw/zinc/94/44/10/564944410.db2.gz ZZYLCEVSYHFICY-UHFFFAOYSA-N 0 0 377.198 2.654 20 5 GFBDRN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000500141661 564946851 /nfs/dbraw/zinc/94/68/51/564946851.db2.gz HNMQXBWSXLKNID-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467055799 564954311 /nfs/dbraw/zinc/95/43/11/564954311.db2.gz DTOSIRSHWVGVNC-NSHDSACASA-N 0 0 392.499 2.999 20 5 GFBDRN COc1ccccc1[C@@]1(C)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467061741 564954610 /nfs/dbraw/zinc/95/46/10/564954610.db2.gz BQVNUGOTSBDKTI-GDBMZVCRSA-N 0 0 382.463 2.982 20 5 GFBDRN CCC1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)(C(=O)OC)CC1 ZINC000467050650 564954755 /nfs/dbraw/zinc/95/47/55/564954755.db2.gz KJYFPWQMGWAQQD-UHFFFAOYSA-N 0 0 390.483 2.755 20 5 GFBDRN COc1cccc(OCCCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467075511 564955244 /nfs/dbraw/zinc/95/52/44/564955244.db2.gz QGKLIOFNKLHXID-UHFFFAOYSA-N 0 0 386.451 2.721 20 5 GFBDRN CCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467085084 564955555 /nfs/dbraw/zinc/95/55/55/564955555.db2.gz KRYPFOLARZXHIH-UHFFFAOYSA-N 0 0 378.472 2.707 20 5 GFBDRN CCn1cc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000533175909 564956624 /nfs/dbraw/zinc/95/66/24/564956624.db2.gz AFQPAHVROCVBSS-UHFFFAOYSA-N 0 0 384.845 2.818 20 5 GFBDRN COc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000467263562 564960204 /nfs/dbraw/zinc/96/02/04/564960204.db2.gz YFOAGRVHUNZMEM-UHFFFAOYSA-N 0 0 386.451 2.503 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000467412739 564962895 /nfs/dbraw/zinc/96/28/95/564962895.db2.gz UDHNIKNKQMCVAN-UHFFFAOYSA-N 0 0 378.435 2.629 20 5 GFBDRN C[C@H](CO[C@@H]1CCOC1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501107775 564970712 /nfs/dbraw/zinc/97/07/12/564970712.db2.gz QVMILENGQXDMQM-NOZJJQNGSA-N 0 0 388.218 2.673 20 5 GFBDRN NC(=O)c1cccc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000501096018 564970927 /nfs/dbraw/zinc/97/09/27/564970927.db2.gz SEKOUNFBPDLKBL-UHFFFAOYSA-N 0 0 393.197 2.778 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1nnc(C(C)(C)C)s1 ZINC000467761157 564971299 /nfs/dbraw/zinc/97/12/99/564971299.db2.gz YTLVOTXHILXUEH-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN CCOCCOCCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501120740 564971396 /nfs/dbraw/zinc/97/13/96/564971396.db2.gz QBGGGWDALSDZPE-UHFFFAOYSA-N 0 0 390.234 2.874 20 5 GFBDRN CCO[C@H]1COCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501126961 564971546 /nfs/dbraw/zinc/97/15/46/564971546.db2.gz YKLNUPDPXHLVGA-STQMWFEESA-N 0 0 388.218 2.673 20 5 GFBDRN C[S@](=O)C1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000501127084 564971551 /nfs/dbraw/zinc/97/15/51/564971551.db2.gz ZTACVVSDNUQAED-QFIPXVFZSA-N 0 0 390.259 2.780 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000501127682 564971700 /nfs/dbraw/zinc/97/17/00/564971700.db2.gz IUFAJWXMLJIKIU-UHFFFAOYSA-N 0 0 381.845 2.787 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnc(C(C)(C)C)s1 ZINC000467777744 564972478 /nfs/dbraw/zinc/97/24/78/564972478.db2.gz YKWLLXORHKSSIU-UHFFFAOYSA-N 0 0 384.483 2.785 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@H](C(=O)C2CC2)C1 ZINC000468154523 564978946 /nfs/dbraw/zinc/97/89/46/564978946.db2.gz DWJLKSYBLMADLF-ZDUSSCGKSA-N 0 0 384.841 2.547 20 5 GFBDRN CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ncon1 ZINC000468160276 564979184 /nfs/dbraw/zinc/97/91/84/564979184.db2.gz OVMPIWPTGGVANE-ZDUSSCGKSA-N 0 0 383.202 2.796 20 5 GFBDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501482228 564981004 /nfs/dbraw/zinc/98/10/04/564981004.db2.gz ROYMQAXMIYRVFD-QMMMGPOBSA-N 0 0 385.193 2.591 20 5 GFBDRN COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ncc1Br ZINC000534262597 564983738 /nfs/dbraw/zinc/98/37/38/564983738.db2.gz AWAQIPYSZBMNPX-UHFFFAOYSA-N 0 0 382.170 2.778 20 5 GFBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c(C)cn1 ZINC000534299903 564985427 /nfs/dbraw/zinc/98/54/27/564985427.db2.gz KIVUNYSMPBKSTN-UHFFFAOYSA-N 0 0 397.172 2.885 20 5 GFBDRN O=C(NCCc1cnc(C2CC2)nc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000534405439 564987918 /nfs/dbraw/zinc/98/79/18/564987918.db2.gz MGORKJIDGJVWQY-UHFFFAOYSA-N 0 0 391.225 2.997 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000468979590 565000915 /nfs/dbraw/zinc/00/09/15/565000915.db2.gz NGKUVKYMBMOYMQ-GFCCVEGCSA-N 0 0 382.360 2.955 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2(F)CCC2)c(Br)c1 ZINC000561564300 565002657 /nfs/dbraw/zinc/00/26/57/565002657.db2.gz LXOFKOWCTUGIKN-UHFFFAOYSA-N 0 0 381.223 2.918 20 5 GFBDRN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cncc(Br)c1 ZINC000535313699 565010513 /nfs/dbraw/zinc/01/05/13/565010513.db2.gz PEGJXKJHEHXNBI-NSHDSACASA-N 0 0 397.233 2.623 20 5 GFBDRN COc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000469289659 565012321 /nfs/dbraw/zinc/01/23/21/565012321.db2.gz QROOHFWFAODVGW-LBPRGKRZSA-N 0 0 382.360 2.955 20 5 GFBDRN COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000535456499 565013861 /nfs/dbraw/zinc/01/38/61/565013861.db2.gz WHHUBNMKDXMNII-NHYWBVRUSA-N 0 0 390.845 2.648 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](OCC(F)(F)F)C2)s1 ZINC000535796316 565021043 /nfs/dbraw/zinc/02/10/43/565021043.db2.gz UNKKXNJDJGOJMJ-QMMMGPOBSA-N 0 0 388.389 2.608 20 5 GFBDRN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C(=O)OC(C)(C)C ZINC000563057815 565053357 /nfs/dbraw/zinc/05/33/57/565053357.db2.gz CTYQECNZPNFHJI-WDEREUQCSA-N 0 0 390.483 2.645 20 5 GFBDRN Cc1cc(Br)cc2c1CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000537170676 565053862 /nfs/dbraw/zinc/05/38/62/565053862.db2.gz LXAGCOKUTUIAQY-UHFFFAOYSA-N 0 0 379.214 2.598 20 5 GFBDRN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000537429631 565058248 /nfs/dbraw/zinc/05/82/48/565058248.db2.gz TWNCLPRQSVLCFK-UHFFFAOYSA-N 0 0 387.179 2.832 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000537471293 565058796 /nfs/dbraw/zinc/05/87/96/565058796.db2.gz LATVRDPFHUMFPC-GFCCVEGCSA-N 0 0 386.495 2.794 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000537731416 565062149 /nfs/dbraw/zinc/06/21/49/565062149.db2.gz XTRRUFFZTXCHRA-SNVBAGLBSA-N 0 0 384.219 2.878 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000585739817 565109665 /nfs/dbraw/zinc/10/96/65/565109665.db2.gz MVFRIQWPHADQJZ-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000586771903 565115746 /nfs/dbraw/zinc/11/57/46/565115746.db2.gz CFKDICZMFWUSFS-GXFFZTMASA-N 0 0 382.360 2.552 20 5 GFBDRN CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccnn1C ZINC000615943983 565181246 /nfs/dbraw/zinc/18/12/46/565181246.db2.gz FIALXRSROJJCST-LBPRGKRZSA-N 0 0 386.861 2.700 20 5 GFBDRN O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000590435593 565188007 /nfs/dbraw/zinc/18/80/07/565188007.db2.gz ZLEBHJLJMPYFBM-SKDRFNHKSA-N 0 0 397.147 2.933 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000590556044 565191322 /nfs/dbraw/zinc/19/13/22/565191322.db2.gz DFDNXRJKYZZIJF-JTQLQIEISA-N 0 0 382.170 2.639 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000590914567 565209613 /nfs/dbraw/zinc/20/96/13/565209613.db2.gz SZFUMYNTMGUQIZ-ZIAGYGMSSA-N 0 0 381.226 2.998 20 5 GFBDRN O=[N+]([O-])c1cncc(I)c1NCC1(c2ccccn2)CC1 ZINC000591366468 565227330 /nfs/dbraw/zinc/22/73/30/565227330.db2.gz FNPIPENQLFDANW-UHFFFAOYSA-N 0 0 396.188 2.555 20 5 GFBDRN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)CCC[C@@H]2CCOC2)cc1 ZINC000592039921 565249614 /nfs/dbraw/zinc/24/96/14/565249614.db2.gz JLGMGQDVLYCOEX-CJNGLKHVSA-N 0 0 386.495 2.789 20 5 GFBDRN CO[C@H](CS(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000592048020 565250333 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380.198 2.821 20 5 GFBDRN O=C(c1nscc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593474811 565335890 /nfs/dbraw/zinc/33/58/90/565335890.db2.gz AUCOCRPPOCVTTD-QMMMGPOBSA-N 0 0 398.242 2.535 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000619495970 565344731 /nfs/dbraw/zinc/34/47/31/565344731.db2.gz QJACRXQCBHNXFV-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593626540 565348142 /nfs/dbraw/zinc/34/81/42/565348142.db2.gz DEXPTNHLLFITIE-UHFFFAOYSA-N 0 0 382.335 2.958 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(F)(F)C2)c(Br)c1 ZINC000593625119 565348260 /nfs/dbraw/zinc/34/82/60/565348260.db2.gz SGFVXOTUXRCWPJ-UHFFFAOYSA-N 0 0 385.186 2.777 20 5 GFBDRN CCc1nnc([C@@H](C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000594684991 565406583 /nfs/dbraw/zinc/40/65/83/565406583.db2.gz SOPJQGJUYCWTQO-SSDOTTSWSA-N 0 0 389.231 2.573 20 5 GFBDRN C[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957716 565437284 /nfs/dbraw/zinc/43/72/84/565437284.db2.gz ULFCNGGMAWERMJ-PELKAZGASA-N 0 0 399.192 2.587 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000595415502 565475443 /nfs/dbraw/zinc/47/54/43/565475443.db2.gz CNOIUWFUKLSMNB-UHFFFAOYSA-N 0 0 375.244 2.839 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1C ZINC000595417255 565477186 /nfs/dbraw/zinc/47/71/86/565477186.db2.gz VFIJZEBKEPEHMW-BMIGLBTASA-N 0 0 378.397 2.645 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]1c1ccc(Br)cc1 ZINC000595846229 565494043 /nfs/dbraw/zinc/49/40/43/565494043.db2.gz XUICHKXTROACFF-HNNXBMFYSA-N 0 0 378.226 2.966 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884135 565496589 /nfs/dbraw/zinc/49/65/89/565496589.db2.gz GRPOPWWKFMTDEB-LLVKDONJSA-N 0 0 381.479 2.731 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000596240593 565517142 /nfs/dbraw/zinc/51/71/42/565517142.db2.gz XIKDVTFBMOPEGW-LBPRGKRZSA-N 0 0 381.841 2.890 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@](O)(C2CC2)C1 ZINC000596461078 565524917 /nfs/dbraw/zinc/52/49/17/565524917.db2.gz CGACVEYNLPSNHS-CQSZACIVSA-N 0 0 388.205 2.941 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@H](O)C(F)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887660 565540303 /nfs/dbraw/zinc/54/03/03/565540303.db2.gz HCGHZFHQWRDYML-NSHDSACASA-N 0 0 394.172 2.900 20 5 GFBDRN Cc1n[nH]c(C)c1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597735013 565573144 /nfs/dbraw/zinc/57/31/44/565573144.db2.gz GIIPJBQFFZUVAK-UHFFFAOYSA-N 0 0 381.230 2.599 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc(OC)c(Br)c2C)n1 ZINC000598020686 565589889 /nfs/dbraw/zinc/58/98/89/565589889.db2.gz KJNSCSGDRYPXQB-UHFFFAOYSA-N 0 0 384.190 2.538 20 5 GFBDRN CCOC(=O)C[C@H](NC(=O)c1cccc(SC)c1[N+](=O)[O-])C(F)(F)F ZINC000598050761 565591037 /nfs/dbraw/zinc/59/10/37/565591037.db2.gz SRFCWFTYCCJDGP-JTQLQIEISA-N 0 0 380.344 2.931 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000598151069 565596677 /nfs/dbraw/zinc/59/66/77/565596677.db2.gz PSLORVFGJOHEJE-UHFFFAOYSA-N 0 0 380.198 2.913 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000598188887 565599814 /nfs/dbraw/zinc/59/98/14/565599814.db2.gz WRRQRUUBBATDRH-RYUDHWBXSA-N 0 0 386.495 2.792 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000598208970 565602468 /nfs/dbraw/zinc/60/24/68/565602468.db2.gz JVENUPNWHMTTJL-UHFFFAOYSA-N 0 0 393.241 2.693 20 5 GFBDRN Cn1ncc(C2CC2)c1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598210564 565602755 /nfs/dbraw/zinc/60/27/55/565602755.db2.gz IFERDBPBVSMTCI-UHFFFAOYSA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598615380 565630652 /nfs/dbraw/zinc/63/06/52/565630652.db2.gz XSDVEZBFEDWXBR-JOYOIKCWSA-N 0 0 382.360 2.552 20 5 GFBDRN CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598885241 565647930 /nfs/dbraw/zinc/64/79/30/565647930.db2.gz GZQSJJPIJXOZPL-UHFFFAOYSA-N 0 0 383.198 2.525 20 5 GFBDRN O=C(CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])NC1CCCCC1 ZINC000599122965 565657567 /nfs/dbraw/zinc/65/75/67/565657567.db2.gz LECQMDLYKRUFEG-UHFFFAOYSA-N 0 0 398.257 2.926 20 5 GFBDRN NS(=O)(=O)c1c(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cccc1[N+](=O)[O-] ZINC000599122604 565658109 /nfs/dbraw/zinc/65/81/09/565658109.db2.gz DJONLOBSYLEYFN-BYCMXARLSA-N 0 0 379.825 2.646 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599174498 565659651 /nfs/dbraw/zinc/65/96/51/565659651.db2.gz RBVSVWYYSREVOL-IINYFYTJSA-N 0 0 388.205 2.798 20 5 GFBDRN CC(C)CC[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599410255 565676954 /nfs/dbraw/zinc/67/69/54/565676954.db2.gz GJPNEELWACSLHK-NSHDSACASA-N 0 0 384.376 2.689 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000599838815 565704179 /nfs/dbraw/zinc/70/41/79/565704179.db2.gz BLIGXPZXUSJBGQ-NEPJUHHUSA-N 0 0 386.221 2.616 20 5 GFBDRN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599962159 565708353 /nfs/dbraw/zinc/70/83/53/565708353.db2.gz LDWSFVZOBJBBFS-JMCQJSRRSA-N 0 0 397.147 2.933 20 5 GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599970330 565708868 /nfs/dbraw/zinc/70/88/68/565708868.db2.gz LPRZEBLUPXKUMR-JTQLQIEISA-N 0 0 386.246 2.640 20 5 GFBDRN O=C(N=c1cc([C@@H]2CCCO2)[nH][nH]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085731 565712679 /nfs/dbraw/zinc/71/26/79/565712679.db2.gz OOUKESLSAAENDT-NSHDSACASA-N 0 0 381.186 2.606 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000600486862 565732988 /nfs/dbraw/zinc/73/29/88/565732988.db2.gz IOMUHAFEGWFXOL-ZDUSSCGKSA-N 0 0 393.197 2.830 20 5 GFBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCSCC(F)(F)F)C1=O ZINC000600697466 565746044 /nfs/dbraw/zinc/74/60/44/565746044.db2.gz VLFDTEJDJPAFIM-ZDUSSCGKSA-N 0 0 377.344 2.657 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000600815920 565751398 /nfs/dbraw/zinc/75/13/98/565751398.db2.gz YJQSNWJNCJRZDM-CYBMUJFWSA-N 0 0 396.241 2.549 20 5 GFBDRN Cc1nc2c(n1CCO)CC[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000601185382 565770987 /nfs/dbraw/zinc/77/09/87/565770987.db2.gz SWFHWCNKWSUNAV-GFCCVEGCSA-N 0 0 395.257 2.824 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])s1 ZINC000601374536 565779116 /nfs/dbraw/zinc/77/91/16/565779116.db2.gz VITZBPKZZOSPLW-LLVKDONJSA-N 0 0 392.524 2.688 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)c(F)cc1[N+](=O)[O-] ZINC000601371849 565779161 /nfs/dbraw/zinc/77/91/61/565779161.db2.gz RMIAPFQRQPGQHI-ZDUSSCGKSA-N 0 0 386.426 2.866 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601458034 565785318 /nfs/dbraw/zinc/78/53/18/565785318.db2.gz AQLYPPINGRFJNT-GFCCVEGCSA-N 0 0 384.483 2.513 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2OC3CCC2CC3)c1 ZINC000601534890 565790581 /nfs/dbraw/zinc/79/05/81/565790581.db2.gz OFHICMZZZNELNQ-UHFFFAOYSA-N 0 0 377.216 2.604 20 5 GFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c(Br)cnn1C ZINC000601746637 565801241 /nfs/dbraw/zinc/80/12/41/565801241.db2.gz SVOOUYCWNHQEPZ-GFCCVEGCSA-N 0 0 395.257 2.976 20 5 GFBDRN Cc1ccnc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000602165760 565828098 /nfs/dbraw/zinc/82/80/98/565828098.db2.gz UGTPKQPAUUUVRY-SNVBAGLBSA-N 0 0 379.214 2.876 20 5 GFBDRN CCCNC(=O)CN(CCC)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602244618 565832806 /nfs/dbraw/zinc/83/28/06/565832806.db2.gz HIGOALPJCVNHQF-UHFFFAOYSA-N 0 0 386.246 2.736 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000602725237 565865233 /nfs/dbraw/zinc/86/52/33/565865233.db2.gz KKWNWIOZWROECT-OLZOCXBDSA-N 0 0 378.372 2.765 20 5 GFBDRN Cc1noc(CN2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000602885454 565873183 /nfs/dbraw/zinc/87/31/83/565873183.db2.gz DYSIZTVOWPHUDZ-NSHDSACASA-N 0 0 383.202 2.702 20 5 GFBDRN O=C(NCc1cc2n(n1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000603142906 565886248 /nfs/dbraw/zinc/88/62/48/565886248.db2.gz QJSGMXGJWXCDKR-UHFFFAOYSA-N 0 0 379.214 2.820 20 5 GFBDRN C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000604476774 565930884 /nfs/dbraw/zinc/93/08/84/565930884.db2.gz SSKSKCLEIJBXSB-SNVBAGLBSA-N 0 0 381.435 2.513 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC000609393906 566038896 /nfs/dbraw/zinc/03/88/96/566038896.db2.gz CVMQZNGWIHPCBL-UHFFFAOYSA-N 0 0 382.203 2.948 20 5 GFBDRN Cc1c(C(=O)Nc2ccc(Cl)c(F)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609847311 566055071 /nfs/dbraw/zinc/05/50/71/566055071.db2.gz BMQMWIJDTZRZEK-UHFFFAOYSA-N 0 0 387.776 2.595 20 5 GFBDRN O=C(Cn1cc(Br)cn1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610046526 566062269 /nfs/dbraw/zinc/06/22/69/566062269.db2.gz SXIYMNVROQTLSV-UHFFFAOYSA-N 0 0 381.230 2.693 20 5 GFBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)nc1 ZINC000610244474 566072559 /nfs/dbraw/zinc/07/25/59/566072559.db2.gz NRGIXYWLOFMFCM-UHFFFAOYSA-N 0 0 399.144 2.855 20 5 GFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000610269333 566074472 /nfs/dbraw/zinc/07/44/72/566074472.db2.gz VIBLLFUNMSXTME-VIFPVBQESA-N 0 0 390.204 2.709 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610591769 566090246 /nfs/dbraw/zinc/09/02/46/566090246.db2.gz XXKNHFITNQRRCX-UHFFFAOYSA-N 0 0 378.303 2.938 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(N2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000610784757 566099330 /nfs/dbraw/zinc/09/93/30/566099330.db2.gz YRMTXPJUBJVJGY-UHFFFAOYSA-N 0 0 381.479 2.859 20 5 GFBDRN COc1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000610975990 566109014 /nfs/dbraw/zinc/10/90/14/566109014.db2.gz LDBCPIUCLKPIDK-UHFFFAOYSA-N 0 0 394.225 2.962 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CC2(CC(F)C2)C1 ZINC000611076720 566112733 /nfs/dbraw/zinc/11/27/33/566112733.db2.gz DNWYAEPQACAHCV-UHFFFAOYSA-N 0 0 390.152 2.774 20 5 GFBDRN O=C(NC1(CO)CCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000611246100 566124391 /nfs/dbraw/zinc/12/43/91/566124391.db2.gz RDYZRSNKMNDHEM-UHFFFAOYSA-N 0 0 385.207 2.732 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(I)ccc1O ZINC000611529027 566135267 /nfs/dbraw/zinc/13/52/67/566135267.db2.gz BJYHWAATDABBPP-UHFFFAOYSA-N 0 0 399.144 2.740 20 5 GFBDRN COCC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612285764 566156492 /nfs/dbraw/zinc/15/64/92/566156492.db2.gz DMPWAGYTFJWFOU-CYBMUJFWSA-N 0 0 387.889 2.567 20 5 GFBDRN Cc1c(Br)c(N(C)Cc2nnc3ccccn32)ncc1[N+](=O)[O-] ZINC000612443734 566162306 /nfs/dbraw/zinc/16/23/06/566162306.db2.gz CCRQFMZKKUJOFJ-UHFFFAOYSA-N 0 0 377.202 2.740 20 5 GFBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000612999245 566182742 /nfs/dbraw/zinc/18/27/42/566182742.db2.gz AJGRWLRGWXWZFJ-SECBINFHSA-N 0 0 381.182 2.890 20 5 GFBDRN Cc1c(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cccc1-c1nn[nH]n1 ZINC000822121373 607256794 /nfs/dbraw/zinc/25/67/94/607256794.db2.gz FTZZPNIXOREMFX-UHFFFAOYSA-N 0 0 378.352 2.745 20 5 GFBDRN CC(C)Oc1ccc([C@@H](O)CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000735915860 599170642 /nfs/dbraw/zinc/17/06/42/599170642.db2.gz TZCFBRACHUQVML-KRWDZBQOSA-N 0 0 384.396 2.708 20 5 GFBDRN CC(C)(C)c1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000735651392 599170878 /nfs/dbraw/zinc/17/08/78/599170878.db2.gz TYTSABKDAVOHCH-OAHLLOKOSA-N 0 0 383.412 2.613 20 5 GFBDRN CC(C)Oc1cccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000735912804 599205620 /nfs/dbraw/zinc/20/56/20/599205620.db2.gz IBFPFOMTINKQAQ-KRWDZBQOSA-N 0 0 384.396 2.708 20 5 GFBDRN CC(C)c1n[nH]c(C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1[N+](=O)[O-] ZINC000820183466 607351924 /nfs/dbraw/zinc/35/19/24/607351924.db2.gz DGRFYSIEGROTGQ-UHFFFAOYSA-N 0 0 398.427 2.672 20 5 GFBDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000820004943 607355400 /nfs/dbraw/zinc/35/54/00/607355400.db2.gz FWBZQEKTGXBODR-UHFFFAOYSA-N 0 0 387.327 2.677 20 5 GFBDRN CC1CCC(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)CC1 ZINC000736243864 598501989 /nfs/dbraw/zinc/50/19/89/598501989.db2.gz ANDZPLAIQIODPH-UHFFFAOYSA-N 0 0 387.444 2.734 20 5 GFBDRN COc1ccc(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cc1[N+](=O)[O-] ZINC000737100371 598722344 /nfs/dbraw/zinc/72/23/44/598722344.db2.gz WJHWPTWTILSNRN-UHFFFAOYSA-N 0 0 377.364 2.695 20 5 GFBDRN Cn1ccnc1C(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000737615334 598743379 /nfs/dbraw/zinc/74/33/79/598743379.db2.gz GXMDPUJSFLPSLT-UHFFFAOYSA-N 0 0 391.347 2.532 20 5 GFBDRN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735912958 598787247 /nfs/dbraw/zinc/78/72/47/598787247.db2.gz KUVCLGXPBNHFNN-UHFFFAOYSA-N 0 0 383.364 2.919 20 5 GFBDRN Cc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)o2)cc1 ZINC000822215014 599397641 /nfs/dbraw/zinc/39/76/41/599397641.db2.gz ISDOLKYLPLRBRK-UHFFFAOYSA-N 0 0 382.365 2.680 20 5 GFBDRN C[C@H]1CN(c2ccc(Nc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])cc2)CCO1 ZINC000736294354 599472003 /nfs/dbraw/zinc/47/20/03/599472003.db2.gz 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O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](CCO)c1cccs1 ZINC000751438466 655827333 /nfs/dbraw/zinc/82/73/33/655827333.db2.gz WLGRRZYEAJQRMH-SNVBAGLBSA-N 0 0 376.843 2.712 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000751441379 655827599 /nfs/dbraw/zinc/82/75/99/655827599.db2.gz ONMFZCLJQXXVQK-AWEZNQCLSA-N 0 0 388.804 2.708 20 5 GFBDRN Cc1cc([C@](C)(O)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000751451442 655828240 /nfs/dbraw/zinc/82/82/40/655828240.db2.gz TWLKIYVMEDAHGG-OAHLLOKOSA-N 0 0 388.829 2.644 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1c(F)cccc1F ZINC000751466568 655828642 /nfs/dbraw/zinc/82/86/42/655828642.db2.gz NBSCSNQUFZETAO-YGRLFVJLSA-N 0 0 392.405 2.725 20 5 GFBDRN C[C@@H](COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CS(C)(=O)=O ZINC000751636149 655831911 /nfs/dbraw/zinc/83/19/11/655831911.db2.gz UFRGXBWMGUEDJO-VIFPVBQESA-N 0 0 381.859 2.564 20 5 GFBDRN CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000751689844 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GFBDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000753816329 655859270 /nfs/dbraw/zinc/85/92/70/655859270.db2.gz UVBXREOTEKSOTR-LMKMVOKYSA-N 0 0 382.873 2.770 20 5 GFBDRN Cc1c(Br)c(Sc2nnc(-c3ccco3)n2N)ncc1[N+](=O)[O-] ZINC000754099129 655863784 /nfs/dbraw/zinc/86/37/84/655863784.db2.gz VBGLRNVUKNCMGK-UHFFFAOYSA-N 0 0 397.214 2.777 20 5 GFBDRN O=[N+]([O-])c1cccc([C@@H](NC(=S)NC[C@@H]2CCCO2)C(F)(F)F)c1F ZINC000840862469 661196217 /nfs/dbraw/zinc/19/62/17/661196217.db2.gz GPLIFZWQOMXENJ-QPUJVOFHSA-N 0 0 381.351 2.980 20 5 GFBDRN COc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000754994487 655878084 /nfs/dbraw/zinc/87/80/84/655878084.db2.gz OXBPRNPPTCXIFT-UHFFFAOYSA-N 0 0 384.161 2.830 20 5 GFBDRN COCCOC[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024721 655878760 /nfs/dbraw/zinc/87/87/60/655878760.db2.gz HVWYCYSSXQNOMP-SECBINFHSA-N 0 0 376.207 2.530 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc3c(cc2Br)OCO3)n1 ZINC000755562373 655885678 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CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000451870689 564361336 /nfs/dbraw/zinc/36/13/36/564361336.db2.gz UMYPYIVVDDSSBA-CQSZACIVSA-N 0 0 376.862 2.992 20 5 GFBDRN NC(=O)c1ccnc(N[C@@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] ZINC000567291587 564365313 /nfs/dbraw/zinc/36/53/13/564365313.db2.gz JEHXWPLMZRVQMT-SNVBAGLBSA-N 0 0 397.160 2.536 20 5 GFBDRN CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511335473 564368369 /nfs/dbraw/zinc/36/83/69/564368369.db2.gz UNFBGQQZASNTAT-UHFFFAOYSA-N 0 0 375.878 2.745 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477287273 564372580 /nfs/dbraw/zinc/37/25/80/564372580.db2.gz OISGHBQOBKBGOB-OAHLLOKOSA-N 0 0 397.204 2.960 20 5 GFBDRN C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000567512447 564375235 /nfs/dbraw/zinc/37/52/35/564375235.db2.gz UQIXJHOMAVVHGK-JSGCOSHPSA-N 0 0 381.479 2.598 20 5 GFBDRN COc1cc(C(=O)N2CCOc3ncc(Br)cc32)ccc1[N+](=O)[O-] ZINC000544466524 564386902 /nfs/dbraw/zinc/38/69/02/564386902.db2.gz JNZSVEROLCDHHV-UHFFFAOYSA-N 0 0 394.181 2.800 20 5 GFBDRN CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC000477979726 564392562 /nfs/dbraw/zinc/39/25/62/564392562.db2.gz NBLMHMDWZMLMBR-QMMMGPOBSA-N 0 0 379.360 2.585 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000544672667 564393246 /nfs/dbraw/zinc/39/32/46/564393246.db2.gz MPFFEDGPEVAXHP-STQMWFEESA-N 0 0 386.426 2.994 20 5 GFBDRN Cc1ccc(CN(CCO)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)o1 ZINC000478411309 564401689 /nfs/dbraw/zinc/40/16/89/564401689.db2.gz YIWKODFKAKJKQA-UHFFFAOYSA-N 0 0 397.225 2.822 20 5 GFBDRN CSc1cccc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000452275934 564402126 /nfs/dbraw/zinc/40/21/26/564402126.db2.gz HQUATOTXNZRELM-UHFFFAOYSA-N 0 0 386.495 2.650 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000478903865 564418776 /nfs/dbraw/zinc/41/87/76/564418776.db2.gz RPOHRCKASBOUGV-MWLCHTKSSA-N 0 0 382.360 2.955 20 5 GFBDRN CC(C)[C@@H](C)NC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478906754 564418823 /nfs/dbraw/zinc/41/88/23/564418823.db2.gz ZLSVYFUTZHYBLL-SECBINFHSA-N 0 0 392.193 2.739 20 5 GFBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(O)c1 ZINC000479341520 564436324 /nfs/dbraw/zinc/43/63/24/564436324.db2.gz HMIDVCUDSINNIF-UHFFFAOYSA-N 0 0 380.198 2.905 20 5 GFBDRN CC(C)N1CC[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1=O ZINC000513735772 564437001 /nfs/dbraw/zinc/43/70/01/564437001.db2.gz RUJGEKRKVHWPQO-ZDUSSCGKSA-N 0 0 393.241 2.749 20 5 GFBDRN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452923991 564437108 /nfs/dbraw/zinc/43/71/08/564437108.db2.gz JZLWYWWYXJDPDT-LSDHHAIUSA-N 0 0 383.242 2.884 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000452935181 564438012 /nfs/dbraw/zinc/43/80/12/564438012.db2.gz OGYGOZBYSKMYJZ-PBHICJAKSA-N 0 0 397.269 2.813 20 5 GFBDRN COC(=O)c1csc(S(=O)(=O)N2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000513812559 564439146 /nfs/dbraw/zinc/43/91/46/564439146.db2.gz NBQJTYJIYYIPMX-UHFFFAOYSA-N 0 0 382.419 2.584 20 5 GFBDRN CO[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000546051554 564441217 /nfs/dbraw/zinc/44/12/17/564441217.db2.gz UGYAKIVNDUIDGC-CYBMUJFWSA-N 0 0 385.829 2.695 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000479584780 564444355 /nfs/dbraw/zinc/44/43/55/564444355.db2.gz CDFZPCVUVDLBHF-ZANVPECISA-N 0 0 385.214 2.771 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000479584779 564444530 /nfs/dbraw/zinc/44/45/30/564444530.db2.gz CDFZPCVUVDLBHF-TVQRCGJNSA-N 0 0 385.214 2.771 20 5 GFBDRN CC(C)S(=O)(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000514097952 564446166 /nfs/dbraw/zinc/44/61/66/564446166.db2.gz ARKFANMOVGFOLU-UHFFFAOYSA-N 0 0 388.243 2.784 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(Br)cc2)no1 ZINC000546258685 564451494 /nfs/dbraw/zinc/45/14/94/564451494.db2.gz BXWAEEIMWSRNFK-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)c1cncc(Cl)c1 ZINC000479911244 564454469 /nfs/dbraw/zinc/45/44/69/564454469.db2.gz DYVVMPFJTZRDPC-UHFFFAOYSA-N 0 0 376.221 2.818 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000569293656 564456894 /nfs/dbraw/zinc/45/68/94/564456894.db2.gz NSXAOHCJOQXYTB-SECBINFHSA-N 0 0 378.250 2.939 20 5 GFBDRN O=[N+]([O-])c1cccnc1N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000453581092 564458404 /nfs/dbraw/zinc/45/84/04/564458404.db2.gz UPSQJXNGFDRKFR-UHFFFAOYSA-N 0 0 393.241 2.780 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000453831907 564475084 /nfs/dbraw/zinc/47/50/84/564475084.db2.gz HIVPXLGQLVEKKE-LBPRGKRZSA-N 0 0 382.214 2.615 20 5 GFBDRN C[C@]1(O)CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000480599206 564479243 /nfs/dbraw/zinc/47/92/43/564479243.db2.gz CNHBMKXIOFWKPD-ZDUSSCGKSA-N 0 0 383.253 2.827 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC2Cc3ccccc3C2)c(Br)c1 ZINC000547244682 564481595 /nfs/dbraw/zinc/48/15/95/564481595.db2.gz WEUMGSJGCMWHIL-UHFFFAOYSA-N 0 0 397.250 2.803 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000569926396 564483810 /nfs/dbraw/zinc/48/38/10/564483810.db2.gz XIZKTEFCYDEFQD-ZJUUUORDSA-N 0 0 388.193 2.693 20 5 GFBDRN CC(C)OC(=O)CC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480738883 564485962 /nfs/dbraw/zinc/48/59/62/564485962.db2.gz IATFVTGYXVVYSS-JTQLQIEISA-N 0 0 378.834 2.647 20 5 GFBDRN CCCN([C@H](CC)C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480850608 564491505 /nfs/dbraw/zinc/49/15/05/564491505.db2.gz HJQSEGSSPUAHMK-CYBMUJFWSA-N 0 0 392.861 2.991 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000480870901 564492657 /nfs/dbraw/zinc/49/26/57/564492657.db2.gz ZGADHHAXRBFYII-UHFFFAOYSA-N 0 0 375.328 2.796 20 5 GFBDRN Cc1c(Br)c(N2C[C@@]3(CCOC3)OC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000481037220 564501215 /nfs/dbraw/zinc/50/12/15/564501215.db2.gz MGCPYNSKSKYCFP-OAHLLOKOSA-N 0 0 386.246 2.835 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H](CO)C1CCOCC1 ZINC000481091594 564503116 /nfs/dbraw/zinc/50/31/16/564503116.db2.gz KCFDAOVMDHMJNW-AWEZNQCLSA-N 0 0 396.241 2.527 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(Sc2nc(C)ccc2[N+](=O)[O-])nc1 ZINC000481698678 564519581 /nfs/dbraw/zinc/51/95/81/564519581.db2.gz SMJFHNSFAVUULJ-UHFFFAOYSA-N 0 0 382.467 2.875 20 5 GFBDRN C[C@H](NC(=O)NCc1nn(C)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000454775981 564522298 /nfs/dbraw/zinc/52/22/98/564522298.db2.gz YKQYLTFIIUZDTF-VIFPVBQESA-N 0 0 382.218 2.651 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000482541561 564544244 /nfs/dbraw/zinc/54/42/44/564544244.db2.gz YWTUNTSOGYHFLF-SECBINFHSA-N 0 0 384.223 2.942 20 5 GFBDRN CCc1nc(CN(C)S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cs1 ZINC000548290823 564547068 /nfs/dbraw/zinc/54/70/68/564547068.db2.gz IENGVXUWRCLRJG-UHFFFAOYSA-N 0 0 389.430 2.582 20 5 GFBDRN COc1ccc(NC(=O)[C@H](C)Sc2nnc(N(C)C)s2)c([N+](=O)[O-])c1 ZINC000518168677 564547842 /nfs/dbraw/zinc/54/78/42/564547842.db2.gz HZMYWVWJXXSQGZ-QMMMGPOBSA-N 0 0 383.455 2.640 20 5 GFBDRN CSc1cccc(S(=O)(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000571366704 564548473 /nfs/dbraw/zinc/54/84/73/564548473.db2.gz JRRQOFUYNDVBLR-UHFFFAOYSA-N 0 0 380.447 2.900 20 5 GFBDRN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000518268127 564549685 /nfs/dbraw/zinc/54/96/85/564549685.db2.gz SHQAIHLHLLWSBN-UHFFFAOYSA-N 0 0 381.142 2.519 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCc2ccccc2F)c1 ZINC000518704684 564560949 /nfs/dbraw/zinc/56/09/49/564560949.db2.gz YWJWLMHEURPLMW-UHFFFAOYSA-N 0 0 389.202 2.975 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483260977 564561963 /nfs/dbraw/zinc/56/19/63/564561963.db2.gz QYEAIUXFYWRLBL-LLVKDONJSA-N 0 0 378.738 2.824 20 5 GFBDRN Cc1ccc(C[C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000455718842 564566540 /nfs/dbraw/zinc/56/65/40/564566540.db2.gz LRZUXHHDNJZQGO-JTQLQIEISA-N 0 0 382.463 2.729 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000456015855 564584555 /nfs/dbraw/zinc/58/45/55/564584555.db2.gz AJBALEDYNOCQFN-SNVBAGLBSA-N 0 0 376.381 2.554 20 5 GFBDRN Cc1ccnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000549525499 564596667 /nfs/dbraw/zinc/59/66/67/564596667.db2.gz BSWZLACJVHYKIR-UHFFFAOYSA-N 0 0 375.328 2.796 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456344538 564601239 /nfs/dbraw/zinc/60/12/39/564601239.db2.gz XHJLELOJUKYUGV-UXIGCNINSA-N 0 0 397.269 2.909 20 5 GFBDRN CCO[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000549684207 564602437 /nfs/dbraw/zinc/60/24/37/564602437.db2.gz LTCAQXXXLJDSHB-CYZMBNFOSA-N 0 0 382.218 2.779 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000549930466 564609600 /nfs/dbraw/zinc/60/96/00/564609600.db2.gz SVLQEAPEYYCLMW-VIFPVBQESA-N 0 0 381.223 2.788 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@@H](COCC2CC2)C1 ZINC000485559652 564620474 /nfs/dbraw/zinc/62/04/74/564620474.db2.gz JXGZXPSJKUOEKP-CYBMUJFWSA-N 0 0 399.241 2.625 20 5 GFBDRN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000521336372 564624245 /nfs/dbraw/zinc/62/42/45/564624245.db2.gz FLHCOQSHOXSLCD-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN CSc1cccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1[N+](=O)[O-] ZINC000486246286 564645704 /nfs/dbraw/zinc/64/57/04/564645704.db2.gz UTTBUSBVTDXMTA-NSHDSACASA-N 0 0 383.495 2.747 20 5 GFBDRN O=C(CCc1cc(Cl)cs1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457124336 564648076 /nfs/dbraw/zinc/64/80/76/564648076.db2.gz OLYZSQYPBKXKND-UHFFFAOYSA-N 0 0 380.857 2.986 20 5 GFBDRN CSc1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000486424332 564651647 /nfs/dbraw/zinc/65/16/47/564651647.db2.gz MYQRKUNGCDSBPZ-UHFFFAOYSA-N 0 0 380.447 2.520 20 5 GFBDRN Cc1ccc(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551723211 564661395 /nfs/dbraw/zinc/66/13/95/564661395.db2.gz XCVVBDVYPBSNGA-UHFFFAOYSA-N 0 0 392.209 2.921 20 5 GFBDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000486806009 564667207 /nfs/dbraw/zinc/66/72/07/564667207.db2.gz TTXATFBZOYMRDS-LBPRGKRZSA-N 0 0 388.511 2.896 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCOc2ccc(F)cc2C1 ZINC000486844836 564668321 /nfs/dbraw/zinc/66/83/21/564668321.db2.gz VFGOFJRBGXDZHB-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(Cc2ccco2)CC1 ZINC000523527104 564668563 /nfs/dbraw/zinc/66/85/63/564668563.db2.gz OIMPFFWDNHQEAW-UHFFFAOYSA-N 0 0 394.225 2.908 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccnc(OC(F)F)c1 ZINC000574661630 564683168 /nfs/dbraw/zinc/68/31/68/564683168.db2.gz WWGPHUOOIRNNPN-UHFFFAOYSA-N 0 0 375.129 2.783 20 5 GFBDRN C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)Oc1cccc(Cl)c1 ZINC000524685808 564685164 /nfs/dbraw/zinc/68/51/64/564685164.db2.gz AHBJMHSGNBGJHT-SNVBAGLBSA-N 0 0 385.829 2.775 20 5 GFBDRN CC(=O)Nc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000525184269 564695191 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O=C(c1ccc(Br)nc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175013824 552113525 /nfs/dbraw/zinc/11/35/25/552113525.db2.gz URCRRGXYIUIPBD-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN C[C@H]([C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000175207179 552117558 /nfs/dbraw/zinc/11/75/58/552117558.db2.gz OQKDMDVEBLLOQA-DTWKUNHWSA-N 0 0 382.360 2.507 20 5 GFBDRN CC(C)(C)[S@@](=O)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175995151 552133870 /nfs/dbraw/zinc/13/38/70/552133870.db2.gz QCCOIYFNKLTUBL-NRFANRHFSA-N 0 0 377.260 2.634 20 5 GFBDRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000176993643 552148664 /nfs/dbraw/zinc/14/86/64/552148664.db2.gz DYWYAMXQLPJOGM-UHFFFAOYSA-N 0 0 381.841 2.848 20 5 GFBDRN CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178780463 552174751 /nfs/dbraw/zinc/17/47/51/552174751.db2.gz FBQKQXMRHWIMCE-SNVBAGLBSA-N 0 0 384.376 2.689 20 5 GFBDRN Cc1csc([C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000178953427 552180270 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COC(=O)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000182665313 552289918 /nfs/dbraw/zinc/28/99/18/552289918.db2.gz AJEDKGZGXVVEMM-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN Cc1csc([C@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000182947487 552297072 /nfs/dbraw/zinc/29/70/72/552297072.db2.gz GNGBCVHJTCDKME-MRVPVSSYSA-N 0 0 382.829 2.872 20 5 GFBDRN C[C@@](O)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000183791370 552319276 /nfs/dbraw/zinc/31/92/76/552319276.db2.gz ABRHSWLHPIBDPY-MRXNPFEDSA-N 0 0 384.841 2.575 20 5 GFBDRN Cc1nn(C)c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1[N+](=O)[O-] ZINC000183951389 552324038 /nfs/dbraw/zinc/32/40/38/552324038.db2.gz KZHSYJYAORGZOI-UHFFFAOYSA-N 0 0 392.213 2.811 20 5 GFBDRN Cc1cc([N+](=O)[O-])nn1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000184766402 552344229 /nfs/dbraw/zinc/34/42/29/552344229.db2.gz OQTRMALUDZWNRZ-JTQLQIEISA-N 0 0 390.621 2.956 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCOCC2(CCOCC2)C1 ZINC000185114308 552354844 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GFBDRN COC(=O)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCC1 ZINC000192087603 552550450 /nfs/dbraw/zinc/55/04/50/552550450.db2.gz MUTUZVOTODJUPI-SECBINFHSA-N 0 0 385.214 2.914 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(Cn2cncn2)CC1 ZINC000192385355 552561541 /nfs/dbraw/zinc/56/15/41/552561541.db2.gz FQYFDEFSNKRKBN-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN O=c1c(Br)cccn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000193085847 552983128 /nfs/dbraw/zinc/98/31/28/552983128.db2.gz RJGPQSYQSSONDZ-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN CC[C@H](COC)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000193675577 552999682 /nfs/dbraw/zinc/99/96/82/552999682.db2.gz YRHWUPOVTSTVDG-SECBINFHSA-N 0 0 392.193 2.663 20 5 GFBDRN Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1 ZINC000194971338 553034824 /nfs/dbraw/zinc/03/48/24/553034824.db2.gz DVGCWTQUYRWSQC-UHFFFAOYSA-N 0 0 376.316 2.537 20 5 GFBDRN CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000194983979 553035019 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ZINC000416440121 563829429 /nfs/dbraw/zinc/82/94/29/563829429.db2.gz CMADBVYFKHXGIG-JTQLQIEISA-N 0 0 382.360 2.850 20 5 GFBDRN Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000416458255 563831432 /nfs/dbraw/zinc/83/14/32/563831432.db2.gz QDHZDHVLLMMGID-ZCFIWIBFSA-N 0 0 396.372 2.813 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000416472724 563834433 /nfs/dbraw/zinc/83/44/33/563834433.db2.gz NUZBKCSEXWTTLZ-UTLUCORTSA-N 0 0 382.360 2.800 20 5 GFBDRN CO[C@@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000416484274 563836319 /nfs/dbraw/zinc/83/63/19/563836319.db2.gz RZMGPWPVTQOJSG-ZDUSSCGKSA-N 0 0 382.360 2.707 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000416508241 563840795 /nfs/dbraw/zinc/84/07/95/563840795.db2.gz AMDMREUKIQCYHI-HNNXBMFYSA-N 0 0 390.483 2.707 20 5 GFBDRN CCC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000367352666 563841324 /nfs/dbraw/zinc/84/13/24/563841324.db2.gz GTSAWTTXZUTTLU-UHFFFAOYSA-N 0 0 398.257 2.750 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2noc(-c3nc4ncc(Br)cn4n3)n2)s1 ZINC000445476130 563849577 /nfs/dbraw/zinc/84/95/77/563849577.db2.gz YTSOUPIBGTYIQD-UHFFFAOYSA-N 0 0 394.170 2.574 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000416602366 563852067 /nfs/dbraw/zinc/85/20/67/563852067.db2.gz XCCBAJYYNZGFQK-VXNVDRBHSA-N 0 0 395.300 2.838 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000416657109 563858420 /nfs/dbraw/zinc/85/84/20/563858420.db2.gz NDZYNFDRMQBCNK-GFCCVEGCSA-N 0 0 385.442 2.661 20 5 GFBDRN O=C(Nc1ccc(Br)nc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368414326 563869946 /nfs/dbraw/zinc/86/99/46/563869946.db2.gz WHFAEMPBQFXFHC-LLVKDONJSA-N 0 0 395.217 2.818 20 5 GFBDRN O=C1CCCC(=O)N1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000368785958 563878774 /nfs/dbraw/zinc/87/87/74/563878774.db2.gz GVNAQOIMUPFAKF-UHFFFAOYSA-N 0 0 396.241 2.865 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447934190 563891244 /nfs/dbraw/zinc/89/12/44/563891244.db2.gz WQKMOHNXWGNOTO-LBPRGKRZSA-N 0 0 394.902 2.781 20 5 GFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000471054803 564183802 /nfs/dbraw/zinc/18/38/02/564183802.db2.gz BZJDRPXHAQMDES-UHFFFAOYSA-N 0 0 396.197 2.707 20 5 GFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1ccsc1 ZINC000505601001 564186804 /nfs/dbraw/zinc/18/68/04/564186804.db2.gz BEXUBWWSEQSALV-AWEZNQCLSA-N 0 0 382.463 2.858 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCc3c(F)cc(Br)cc32)c1 ZINC000538630679 564195106 /nfs/dbraw/zinc/19/51/06/564195106.db2.gz CGKPRJRALAGLHT-GFCCVEGCSA-N 0 0 399.220 2.507 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000471557348 564197834 /nfs/dbraw/zinc/19/78/34/564197834.db2.gz CEKRTTLHKTXRNW-LLVKDONJSA-N 0 0 394.225 2.705 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)Nc1ccc(Br)cc1F ZINC000471562747 564198784 /nfs/dbraw/zinc/19/87/84/564198784.db2.gz KIAVCARJPAVTGZ-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN O=C(COc1c(Cl)cncc1[N+](=O)[O-])NCCOc1cccc(Cl)c1 ZINC000506537270 564204181 /nfs/dbraw/zinc/20/41/81/564204181.db2.gz BDVIRYYEMNPFFI-UHFFFAOYSA-N 0 0 386.191 2.871 20 5 GFBDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000472232574 564217441 /nfs/dbraw/zinc/21/74/41/564217441.db2.gz MXVQTIXXFRMOEO-CQSZACIVSA-N 0 0 387.223 2.944 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000507464824 564229717 /nfs/dbraw/zinc/22/97/17/564229717.db2.gz OLPODYSEKXKAFH-UHFFFAOYSA-N 0 0 380.198 2.739 20 5 GFBDRN CN(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000539888356 564231392 /nfs/dbraw/zinc/23/13/92/564231392.db2.gz GROQMACSSHZZGK-CYBMUJFWSA-N 0 0 383.495 2.645 20 5 GFBDRN Cc1c(Br)c(NC[C@H](O)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000450568397 564239461 /nfs/dbraw/zinc/23/94/61/564239461.db2.gz NNWAJPXLGPYADQ-GFCCVEGCSA-N 0 0 384.205 2.637 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000450789793 564248473 /nfs/dbraw/zinc/24/84/73/564248473.db2.gz GOPKYYXVAQRQAV-BXUZGUMPSA-N 0 0 379.214 2.901 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000450791881 564248487 /nfs/dbraw/zinc/24/84/87/564248487.db2.gz GNQQZBNLAMSXRV-NSHDSACASA-N 0 0 377.260 2.761 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2cc(Br)ccc2F)nc1 ZINC000450849699 564251121 /nfs/dbraw/zinc/25/11/21/564251121.db2.gz UHTSORMLPRTMFQ-SNVBAGLBSA-N 0 0 384.205 2.576 20 5 GFBDRN Cn1ccnc1[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450953695 564256903 /nfs/dbraw/zinc/25/69/03/564256903.db2.gz ZHBBMGYOCVTMSL-SKDRFNHKSA-N 0 0 382.218 2.818 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@]2(CCSC2)C1 ZINC000565009095 564261851 /nfs/dbraw/zinc/26/18/51/564261851.db2.gz DZFKKZCBHQQUHH-CQSZACIVSA-N 0 0 387.255 2.705 20 5 GFBDRN COc1ccc2c(n1)N(S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC2 ZINC000451089827 564273058 /nfs/dbraw/zinc/27/30/58/564273058.db2.gz FTBFGKNHYVMSEF-UHFFFAOYSA-N 0 0 383.813 2.712 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2noc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000541289432 564273295 /nfs/dbraw/zinc/27/32/95/564273295.db2.gz OPBDBNIOEFRCJB-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000541348608 564276162 /nfs/dbraw/zinc/27/61/62/564276162.db2.gz DNOXVKXJQSEJDJ-ZDUSSCGKSA-N 0 0 384.175 2.941 20 5 GFBDRN CC(C)CN(CC(C)C)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474356857 564276375 /nfs/dbraw/zinc/27/63/75/564276375.db2.gz RQTYMQFFWAMKQL-UHFFFAOYSA-N 0 0 388.262 2.660 20 5 GFBDRN Cc1c(Br)c(N[C@H]2CCCN(c3cnn(C)c3)C2)ncc1[N+](=O)[O-] ZINC000541576514 564283935 /nfs/dbraw/zinc/28/39/35/564283935.db2.gz LKFWZXFEJRHZGH-NSHDSACASA-N 0 0 395.261 2.875 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@H](C(=O)N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000541577954 564284554 /nfs/dbraw/zinc/28/45/54/564284554.db2.gz MLXDSBPXVSVIMT-LBPRGKRZSA-N 0 0 397.273 2.900 20 5 GFBDRN Cc1cnc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000541768146 564287920 /nfs/dbraw/zinc/28/79/20/564287920.db2.gz DVUYYFUDVCPFBI-SNVBAGLBSA-N 0 0 381.479 2.978 20 5 GFBDRN CSc1cccc(C(=O)NCCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000565791945 564295668 /nfs/dbraw/zinc/29/56/68/564295668.db2.gz KFUXVELYBIVYTQ-UHFFFAOYSA-N 0 0 385.243 2.706 20 5 GFBDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000565862391 564299541 /nfs/dbraw/zinc/29/95/41/564299541.db2.gz XFXFYGANGWQKON-AOOOYVTPSA-N 0 0 379.385 2.831 20 5 GFBDRN NS(=O)(=O)c1ccc(NCc2ccsc2Br)c([N+](=O)[O-])c1 ZINC000509496939 564302189 /nfs/dbraw/zinc/30/21/89/564302189.db2.gz XGYFLJGPTUURAF-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN COC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000451618808 564332183 /nfs/dbraw/zinc/33/21/83/564332183.db2.gz WQTFOELNKXTDOU-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000451643929 564334947 /nfs/dbraw/zinc/33/49/47/564334947.db2.gz WIRUZMKWGNXCGX-VIFPVBQESA-N 0 0 382.360 2.846 20 5 GFBDRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1Br ZINC000476399799 564337720 /nfs/dbraw/zinc/33/77/20/564337720.db2.gz TWNMLHPAJUYAFT-MRVPVSSYSA-N 0 0 383.202 2.590 20 5 GFBDRN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000476495428 564341559 /nfs/dbraw/zinc/34/15/59/564341559.db2.gz PFOCXQVALILIGS-LLVKDONJSA-N 0 0 383.191 2.765 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000510635226 564341579 /nfs/dbraw/zinc/34/15/79/564341579.db2.gz PYAHRASXZJLYNG-CQSZACIVSA-N 0 0 384.845 2.646 20 5 GFBDRN Cc1ncsc1CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451783305 564350621 /nfs/dbraw/zinc/35/06/21/564350621.db2.gz DJDKPNBGTXBOGP-UHFFFAOYSA-N 0 0 375.859 2.843 20 5 GFBDRN Cn1ncnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000543678949 564359020 /nfs/dbraw/zinc/35/90/20/564359020.db2.gz CDOFIDPFOTVZRI-UHFFFAOYSA-N 0 0 376.423 2.578 20 5 GFBDRN CCc1[nH]nc(NCc2cc(I)cc([N+](=O)[O-])c2)c1C ZINC000567150446 564359380 /nfs/dbraw/zinc/35/93/80/564359380.db2.gz AIGIRZUVSIUHAR-UHFFFAOYSA-N 0 0 386.193 2.827 20 5 GFBDRN CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000477260538 564371375 /nfs/dbraw/zinc/37/13/75/564371375.db2.gz RBYORGDMVCBFSV-UHFFFAOYSA-N 0 0 386.817 2.580 20 5 GFBDRN Cc1cc(C(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c(F)cc1F ZINC000477421713 564376177 /nfs/dbraw/zinc/37/61/77/564376177.db2.gz SKUQEDDQJLIVSL-UHFFFAOYSA-N 0 0 387.136 2.989 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n1 ZINC000478004819 564393281 /nfs/dbraw/zinc/39/32/81/564393281.db2.gz RKXXXBGQUXCVGK-HTQZYQBOSA-N 0 0 385.243 2.921 20 5 GFBDRN CCn1c(CNc2ncc([N+](=O)[O-])c(N)n2)nc2cc(Br)ccc21 ZINC000478185084 564396864 /nfs/dbraw/zinc/39/68/64/564396864.db2.gz YXXYUSPKUSRBRJ-UHFFFAOYSA-N 0 0 392.217 2.542 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNC(=O)c3ccc([N+](=O)[O-])o3)nc12 ZINC000544775214 564398150 /nfs/dbraw/zinc/39/81/50/564398150.db2.gz OSKAAANYRNJQJI-UHFFFAOYSA-N 0 0 393.197 2.879 20 5 GFBDRN O=C(COc1ccsc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000512710448 564408577 /nfs/dbraw/zinc/40/85/77/564408577.db2.gz SOAJFODXMCTGNS-SNVBAGLBSA-N 0 0 382.829 2.797 20 5 GFBDRN CO[C@@H](c1noc(Cn2cc([N+](=O)[O-])cn2)n1)c1ccc(Br)cc1 ZINC000545105342 564409139 /nfs/dbraw/zinc/40/91/39/564409139.db2.gz ZWZDWSDDSDYINT-CYBMUJFWSA-N 0 0 394.185 2.721 20 5 GFBDRN COc1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000478965130 564420617 /nfs/dbraw/zinc/42/06/17/564420617.db2.gz XKCKTGMCDBKLTO-OAHLLOKOSA-N 0 0 394.225 2.682 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(O)c(Br)c2)n1 ZINC000568522244 564423457 /nfs/dbraw/zinc/42/34/57/564423457.db2.gz UKAFDLMNFSJANT-UHFFFAOYSA-N 0 0 382.170 2.857 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC000452684175 564425827 /nfs/dbraw/zinc/42/58/27/564425827.db2.gz NXRIDDITJZMHMS-CYBMUJFWSA-N 0 0 379.157 2.508 20 5 GFBDRN Cc1nc(C)n(C2CN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3C)C2)n1 ZINC000568696110 564430247 /nfs/dbraw/zinc/43/02/47/564430247.db2.gz SUKSWNANAPDDHE-UHFFFAOYSA-N 0 0 394.229 2.571 20 5 GFBDRN Cc1cc(Cl)cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1O ZINC000513612689 564434061 /nfs/dbraw/zinc/43/40/61/564434061.db2.gz GBPYPVXCEUYODF-UHFFFAOYSA-N 0 0 384.797 2.918 20 5 GFBDRN O=C(Cn1cc(Br)cn1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452841383 564434184 /nfs/dbraw/zinc/43/41/84/564434184.db2.gz GZVNQGBNFWIIHX-CYBMUJFWSA-N 0 0 393.241 2.960 20 5 GFBDRN CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513737531 564436496 /nfs/dbraw/zinc/43/64/96/564436496.db2.gz DJLVNXKLFXCPTK-JTQLQIEISA-N 0 0 382.360 2.705 20 5 GFBDRN O=C(Cn1cc(Br)cn1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479350179 564437109 /nfs/dbraw/zinc/43/71/09/564437109.db2.gz PKPMZBXGPCEOMI-UHFFFAOYSA-N 0 0 387.621 2.566 20 5 GFBDRN O=C(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000479439720 564439639 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CC1(C)CCC[C@](O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000527077057 564729188 /nfs/dbraw/zinc/72/91/88/564729188.db2.gz BAXPWEDUVYHRIT-OAHLLOKOSA-N 0 0 376.862 2.858 20 5 GFBDRN Cc1cc(S(=O)(=O)Nc2ccnc(C)c2Br)ccc1[N+](=O)[O-] ZINC000527112584 564731027 /nfs/dbraw/zinc/73/10/27/564731027.db2.gz IWPXQQKUBCGUTK-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=[N+]([O-])c1cn(C[C@H](O)COc2cccc(Br)c2)nc1C1CC1 ZINC000489408097 564738695 /nfs/dbraw/zinc/73/86/95/564738695.db2.gz MHZYVNBTLMFMHP-LBPRGKRZSA-N 0 0 382.214 2.871 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c(C)cc1[N+](=O)[O-] ZINC000577997282 564739406 /nfs/dbraw/zinc/73/94/06/564739406.db2.gz KYDKVFLPYILHRT-BBRMVZONSA-N 0 0 386.495 2.545 20 5 GFBDRN CS(=O)(=O)Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000554072942 564749279 /nfs/dbraw/zinc/74/92/79/564749279.db2.gz HEBLXPTXUYEWBU-UHFFFAOYSA-N 0 0 380.447 2.870 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000489955909 564758581 /nfs/dbraw/zinc/75/85/81/564758581.db2.gz SDXVDRXPHRRVOE-UHFFFAOYSA-N 0 0 384.223 2.866 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000459913025 564765183 /nfs/dbraw/zinc/76/51/83/564765183.db2.gz ZQLZFCQENHUTBY-HNNXBMFYSA-N 0 0 380.447 2.941 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000491768762 564795597 /nfs/dbraw/zinc/79/55/97/564795597.db2.gz XNJNLJWAGKYCHA-CYBMUJFWSA-N 0 0 378.447 2.505 20 5 GFBDRN O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000581357988 564799143 /nfs/dbraw/zinc/79/91/43/564799143.db2.gz XUVIQCFERCMJPU-CYBMUJFWSA-N 0 0 375.328 2.541 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC000461793010 564804832 /nfs/dbraw/zinc/80/48/32/564804832.db2.gz BYXIYTPKSCAGPG-MUYACECFSA-N 0 0 388.511 2.915 20 5 GFBDRN COc1c(S(=O)(=O)NCC2CCC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493391107 564807775 /nfs/dbraw/zinc/80/77/75/564807775.db2.gz WGJYPISZGUBDRY-UHFFFAOYSA-N 0 0 393.259 2.753 20 5 GFBDRN COc1c(S(=O)(=O)NC[C@H]2C[C@@H]2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493474755 564807973 /nfs/dbraw/zinc/80/79/73/564807973.db2.gz VCAIOKMEGAZOKT-IONNQARKSA-N 0 0 393.259 2.609 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NCCCSCC(C)C)cc1[N+](=O)[O-] ZINC000493572139 564808406 /nfs/dbraw/zinc/80/84/06/564808406.db2.gz JMEGQANHEBAEKW-UHFFFAOYSA-N 0 0 380.463 2.800 20 5 GFBDRN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000556091225 564812291 /nfs/dbraw/zinc/81/22/91/564812291.db2.gz QCJGOKMEZNLOCF-UHFFFAOYSA-N 0 0 376.312 2.814 20 5 GFBDRN CCSc1cc(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000494333305 564825126 /nfs/dbraw/zinc/82/51/26/564825126.db2.gz SAHRNSQBSFBICL-UHFFFAOYSA-N 0 0 383.451 2.589 20 5 GFBDRN COCCN(CC(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462163842 564825878 /nfs/dbraw/zinc/82/58/78/564825878.db2.gz LLCZUUMXWSPADL-UHFFFAOYSA-N 0 0 393.195 2.804 20 5 GFBDRN C[C@@H](Sc1nncn1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556480751 564827939 /nfs/dbraw/zinc/82/79/39/564827939.db2.gz OTMSVHGAUGOESF-SSDOTTSWSA-N 0 0 386.231 2.605 20 5 GFBDRN Cc1sc(S(=O)(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1[N+](=O)[O-] ZINC000462271753 564829957 /nfs/dbraw/zinc/82/99/57/564829957.db2.gz BEGOEJHBVXVCMF-UHFFFAOYSA-N 0 0 380.447 2.906 20 5 GFBDRN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556564635 564830758 /nfs/dbraw/zinc/83/07/58/564830758.db2.gz SRWZGUATPNKJLC-VHSXEESVSA-N 0 0 384.230 2.943 20 5 GFBDRN Cn1cc(Br)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000582800901 564862738 /nfs/dbraw/zinc/86/27/38/564862738.db2.gz AMVZXTUUIFYDCV-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN C[C@@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000582938837 564868300 /nfs/dbraw/zinc/86/83/00/564868300.db2.gz XNYBGXXNBNUQPZ-SECBINFHSA-N 0 0 380.198 2.798 20 5 GFBDRN CS(=O)(=O)c1cc(-c2nc(-c3ncsc3Cl)no2)cc([N+](=O)[O-])c1 ZINC000463158959 564870574 /nfs/dbraw/zinc/87/05/74/564870574.db2.gz ASHUDQQJELGGNV-UHFFFAOYSA-N 0 0 386.798 2.825 20 5 GFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc(Br)cn1 ZINC000557686767 564872181 /nfs/dbraw/zinc/87/21/81/564872181.db2.gz PNKVTJCJOMEANM-ZDUSSCGKSA-N 0 0 395.257 2.939 20 5 GFBDRN O=C(Nc1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497668813 564873180 /nfs/dbraw/zinc/87/31/80/564873180.db2.gz XBJWVOCDTHGTSV-UHFFFAOYSA-N 0 0 394.356 2.802 20 5 GFBDRN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000463237225 564873915 /nfs/dbraw/zinc/87/39/15/564873915.db2.gz UOKQZGCFPFCCJW-GFCCVEGCSA-N 0 0 386.246 2.795 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1(S(C)(=O)=O)CCCC1 ZINC000557762058 564875229 /nfs/dbraw/zinc/87/52/29/564875229.db2.gz SCPIIXCBXMRZAN-UHFFFAOYSA-N 0 0 390.845 2.804 20 5 GFBDRN CCOC(=O)c1nnc(Sc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)s1 ZINC000583161766 564878847 /nfs/dbraw/zinc/87/88/47/564878847.db2.gz NUGWMDVNBMOUFG-UHFFFAOYSA-N 0 0 383.407 2.869 20 5 GFBDRN Cc1cc(N2CC[C@H](NC(=O)NC3CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000530489717 564884877 /nfs/dbraw/zinc/88/48/77/564884877.db2.gz GDYMQNKXHOGIDL-NSHDSACASA-N 0 0 383.246 2.706 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCCn1ccnc1 ZINC000530792491 564895291 /nfs/dbraw/zinc/89/52/91/564895291.db2.gz LNCPYZSCIWHFSK-UHFFFAOYSA-N 0 0 381.230 2.693 20 5 GFBDRN CCN(C[C@@H](C)OC)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000583846194 564909471 /nfs/dbraw/zinc/90/94/71/564909471.db2.gz ZEPJYHIJZHHYQE-SECBINFHSA-N 0 0 392.193 2.696 20 5 GFBDRN CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000498794713 564909920 /nfs/dbraw/zinc/90/99/20/564909920.db2.gz ZPXSFVFCQGABMT-LBPRGKRZSA-N 0 0 375.803 2.979 20 5 GFBDRN CCSCC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000464692369 564915687 /nfs/dbraw/zinc/91/56/87/564915687.db2.gz RENIBXQDLMIEDO-RYUDHWBXSA-N 0 0 385.511 2.909 20 5 GFBDRN COC(C)(C)CN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000531816912 564920943 /nfs/dbraw/zinc/92/09/43/564920943.db2.gz WFNCAFFQNPUYDP-UHFFFAOYSA-N 0 0 395.275 2.711 20 5 GFBDRN CCCN(Cc1ccccc1Br)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000499244445 564921461 /nfs/dbraw/zinc/92/14/61/564921461.db2.gz AMVOUSASXQCERH-UHFFFAOYSA-N 0 0 381.230 2.993 20 5 GFBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccccc1Br ZINC000531887298 564922688 /nfs/dbraw/zinc/92/26/88/564922688.db2.gz BJGIYBLUKULCGO-SNVBAGLBSA-N 0 0 380.198 2.950 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1n[nH]cc1Br ZINC000531882251 564923089 /nfs/dbraw/zinc/92/30/89/564923089.db2.gz WLRMCRIYTUBKEV-UHFFFAOYSA-N 0 0 376.996 2.850 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000499805304 564937506 /nfs/dbraw/zinc/93/75/06/564937506.db2.gz WDXLMJFRYADAFF-CYBMUJFWSA-N 0 0 380.198 2.899 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccco1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532896843 564949355 /nfs/dbraw/zinc/94/93/55/564949355.db2.gz FVNXBNHZRYIRKZ-JTQLQIEISA-N 0 0 383.198 2.531 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000467072581 564955478 /nfs/dbraw/zinc/95/54/78/564955478.db2.gz 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ZINC000589514157 565165455 /nfs/dbraw/zinc/16/54/55/565165455.db2.gz DXUNWZVJWVBEQI-NSHDSACASA-N 0 0 388.205 2.668 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cnc(C)s1 ZINC000590574297 565192979 /nfs/dbraw/zinc/19/29/79/565192979.db2.gz HJQIOOXUXVAING-UHFFFAOYSA-N 0 0 384.483 2.684 20 5 GFBDRN CCO[C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000591364284 565227170 /nfs/dbraw/zinc/22/71/70/565227170.db2.gz AFMOQWWJCMBXBM-SECBINFHSA-N 0 0 377.182 2.600 20 5 GFBDRN COC(=O)C[C@H]1CCCCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000618445464 565300091 /nfs/dbraw/zinc/30/00/91/565300091.db2.gz QRDVNQKXKMUWAZ-MRVPVSSYSA-N 0 0 391.243 2.977 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ncc(Br)cn2)c1 ZINC000593031487 565309258 /nfs/dbraw/zinc/30/92/58/565309258.db2.gz GTCZVHFIBPBGLI-VIFPVBQESA-N 0 0 395.213 2.785 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000619252711 565333243 /nfs/dbraw/zinc/33/32/43/565333243.db2.gz NULZLPNSXHRIBJ-OLZOCXBDSA-N 0 0 387.864 2.985 20 5 GFBDRN CC(C)O[C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000593487715 565337166 /nfs/dbraw/zinc/33/71/66/565337166.db2.gz VTGHTZFYNHGSRL-SNVBAGLBSA-N 0 0 391.209 2.988 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000619497628 565344784 /nfs/dbraw/zinc/34/47/84/565344784.db2.gz SHKJWPLIDGFKQJ-GFCCVEGCSA-N 0 0 383.451 2.894 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC1CCC1)CC(F)(F)F ZINC000619489418 565344936 /nfs/dbraw/zinc/34/49/36/565344936.db2.gz CWKDXMYDNNZGPK-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2SC)cc1[N+](=O)[O-] ZINC000593622460 565348469 /nfs/dbraw/zinc/34/84/69/565348469.db2.gz BSGALMUFKGJMSG-DGCLKSJQSA-N 0 0 378.447 2.695 20 5 GFBDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593666928 565355271 /nfs/dbraw/zinc/35/52/71/565355271.db2.gz FTMVHPOYIUIQNL-NSHDSACASA-N 0 0 392.861 2.989 20 5 GFBDRN C[C@H](CCO)N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000593879363 565365015 /nfs/dbraw/zinc/36/50/15/565365015.db2.gz GQPYWQHWCKCBFY-SECBINFHSA-N 0 0 387.223 2.930 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC2(C)CC=CC2)cc(Br)cc1[N+](=O)[O-] ZINC000594315025 565380550 /nfs/dbraw/zinc/38/05/50/565380550.db2.gz MZSBXXOGQZFYIG-UHFFFAOYSA-N 0 0 382.214 2.829 20 5 GFBDRN Cc1c(Br)c(NCc2cnc(C(F)(F)F)nc2)ncc1[N+](=O)[O-] ZINC000594586894 565401504 /nfs/dbraw/zinc/40/15/04/565401504.db2.gz MLGRQZCUJPARTA-UHFFFAOYSA-N 0 0 392.135 2.904 20 5 GFBDRN CCc1nnc([C@H](C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000594684992 565406435 /nfs/dbraw/zinc/40/64/35/565406435.db2.gz SOPJQGJUYCWTQO-ZETCQYMHSA-N 0 0 389.231 2.573 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)CCc1ccccc1Cl ZINC000594755027 565415485 /nfs/dbraw/zinc/41/54/85/565415485.db2.gz FJQPNEVPCYBQNX-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000594793987 565421980 /nfs/dbraw/zinc/42/19/80/565421980.db2.gz GYARLPIJQKFNME-NSHDSACASA-N 0 0 381.841 2.994 20 5 GFBDRN O=C1NCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000594965207 565438676 /nfs/dbraw/zinc/43/86/76/565438676.db2.gz RSPZJUQHTLGSFB-ZDUSSCGKSA-N 0 0 380.198 2.595 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC(C3CC3)(C3CC3)C2)c(Cl)c1 ZINC000595360063 565468759 /nfs/dbraw/zinc/46/87/59/565468759.db2.gz XHBSWLUTGQVTKP-UHFFFAOYSA-N 0 0 386.857 2.828 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595396740 565472899 /nfs/dbraw/zinc/47/28/99/565472899.db2.gz GGXSIDIYBXFEGX-CMPLNLGQSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000595395774 565473009 /nfs/dbraw/zinc/47/30/09/565473009.db2.gz NUIPYZVCBAIBCE-NSHDSACASA-N 0 0 382.360 2.554 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c(Cl)c1 ZINC000595405421 565474703 /nfs/dbraw/zinc/47/47/03/565474703.db2.gz XTWDTKKUHRQTGU-IYBDPMFKSA-N 0 0 386.857 2.830 20 5 GFBDRN 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/nfs/dbraw/zinc/51/62/60/565516260.db2.gz HMUYBGNCRZDAIU-UHFFFAOYSA-N 0 0 393.232 2.872 20 5 GFBDRN COC(=O)[C@H]1CSCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596279482 565517456 /nfs/dbraw/zinc/51/74/56/565517456.db2.gz QUJILTHTMLURIO-SECBINFHSA-N 0 0 375.244 2.700 20 5 GFBDRN CSCC1(Cc2noc(-c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)n2)CC1 ZINC000596609450 565529698 /nfs/dbraw/zinc/52/96/98/565529698.db2.gz RJJKTAKJPPTBTL-UHFFFAOYSA-N 0 0 383.451 2.734 20 5 GFBDRN Nc1c(NC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000597105056 565551325 /nfs/dbraw/zinc/55/13/25/565551325.db2.gz VEKUKAALWDCDSB-LDYMZIIASA-N 0 0 382.726 2.750 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC1CSC1 ZINC000597746226 565574393 /nfs/dbraw/zinc/57/43/93/565574393.db2.gz LSTSOBIICAEUNQ-UHFFFAOYSA-N 0 0 392.218 2.601 20 5 GFBDRN COC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000597924255 565582825 /nfs/dbraw/zinc/58/28/25/565582825.db2.gz VXVUXUUYZQZFCG-ZDUSSCGKSA-N 0 0 388.873 2.898 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000597999568 565588343 /nfs/dbraw/zinc/58/83/43/565588343.db2.gz GFCAFFIRDBNQKJ-LLVKDONJSA-N 0 0 379.157 2.508 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCO[C@H]1CC1(F)F ZINC000598140474 565596035 /nfs/dbraw/zinc/59/60/35/565596035.db2.gz XYADHOSBTVSFCA-NSHDSACASA-N 0 0 379.157 2.820 20 5 GFBDRN CSc1ccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000598205621 565601716 /nfs/dbraw/zinc/60/17/16/565601716.db2.gz ZMHPNSHVGUXPBA-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN COC(=O)C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000598274624 565605584 /nfs/dbraw/zinc/60/55/84/565605584.db2.gz HKIIFFBYIUFCHD-JTQLQIEISA-N 0 0 385.214 2.676 20 5 GFBDRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598767790 565641196 /nfs/dbraw/zinc/64/11/96/565641196.db2.gz WUTLRSBRXQYKAH-UTSGRSJNSA-N 0 0 389.271 2.777 20 5 GFBDRN C[C@@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])COc2ccccc2O1 ZINC000599115501 565657090 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000603958659 565921288 /nfs/dbraw/zinc/92/12/88/565921288.db2.gz HWWIYLFPRKDUQN-LBPRGKRZSA-N 0 0 382.360 2.635 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1NCCc1ccc(I)s1 ZINC000608885223 566026762 /nfs/dbraw/zinc/02/67/62/566026762.db2.gz KXACUZNDYBMFCX-UHFFFAOYSA-N 0 0 378.195 2.649 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N2CCCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000609332582 566035976 /nfs/dbraw/zinc/03/59/76/566035976.db2.gz WVFJAUHWIOJHIV-UHFFFAOYSA-N 0 0 380.447 2.648 20 5 GFBDRN CC(C)COCCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609417910 566039567 /nfs/dbraw/zinc/03/95/67/566039567.db2.gz HSPMSHQUKYHOHJ-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H](O)C1CCOCC1 ZINC000609914663 566058442 /nfs/dbraw/zinc/05/84/42/566058442.db2.gz SDNNWRLDQDIUKD-OAHLLOKOSA-N 0 0 396.241 2.527 20 5 GFBDRN CCCCSCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000610061003 566064093 /nfs/dbraw/zinc/06/40/93/566064093.db2.gz ZJSKWJQSOPWVLI-UHFFFAOYSA-N 0 0 385.511 2.864 20 5 GFBDRN COC(=O)CCSCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000610294161 566074980 /nfs/dbraw/zinc/07/49/80/566074980.db2.gz UUSJOPXLHCCOCR-UHFFFAOYSA-N 0 0 380.344 2.640 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)NCc3cn[nH]n3)cc2[N+](=O)[O-])n1 ZINC000610486905 566083232 /nfs/dbraw/zinc/08/32/32/566083232.db2.gz XVTMSSZMZQSZEB-UHFFFAOYSA-N 0 0 376.423 2.559 20 5 GFBDRN CCn1cnnc1CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000610550323 566087712 /nfs/dbraw/zinc/08/77/12/566087712.db2.gz OZKBFHBPBGMGOQ-UHFFFAOYSA-N 0 0 391.229 2.593 20 5 GFBDRN COC(=O)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610666580 566092210 /nfs/dbraw/zinc/09/22/10/566092210.db2.gz IHWBJYUXOQENIM-LBPRGKRZSA-N 0 0 399.241 2.844 20 5 GFBDRN CCn1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000611104921 566114727 /nfs/dbraw/zinc/11/47/27/566114727.db2.gz VVOBFIYRYUBWSC-UHFFFAOYSA-N 0 0 393.252 2.939 20 5 GFBDRN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611206151 566121103 /nfs/dbraw/zinc/12/11/03/566121103.db2.gz BRDAPVTYVHXTPW-NSHDSACASA-N 0 0 386.495 2.792 20 5 GFBDRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611198624 566121132 /nfs/dbraw/zinc/12/11/32/566121132.db2.gz PCSNIAHMOVCLBO-LLVKDONJSA-N 0 0 384.479 2.546 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000611221776 566122056 /nfs/dbraw/zinc/12/20/56/566122056.db2.gz TYJVTPNQIOYNSG-CQSZACIVSA-N 0 0 399.241 2.682 20 5 GFBDRN O=C(CCn1cc(Br)cc([N+](=O)[O-])c1=O)Nc1ccccc1F ZINC000611239989 566123256 /nfs/dbraw/zinc/12/32/56/566123256.db2.gz FNLGATQGYGSQAV-UHFFFAOYSA-N 0 0 384.161 2.687 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCCO1 ZINC000611469374 566131620 /nfs/dbraw/zinc/13/16/20/566131620.db2.gz RAJPQQFVQBFCBT-BXKDBHETSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000612631022 566168097 /nfs/dbraw/zinc/16/80/97/566168097.db2.gz XJWWXYQCAWUQJB-BBRMVZONSA-N 0 0 386.495 2.545 20 5 GFBDRN Cc1c(Br)c(NCc2nn(C)c3ccccc23)ncc1[N+](=O)[O-] ZINC000612666736 566170027 /nfs/dbraw/zinc/17/00/27/566170027.db2.gz HUYHAVQHLSSGKX-UHFFFAOYSA-N 0 0 376.214 2.981 20 5 GFBDRN Cn1nc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000612687581 566171293 /nfs/dbraw/zinc/17/12/93/566171293.db2.gz QMHHCOGTBWAOCW-UHFFFAOYSA-N 0 0 380.813 2.613 20 5 GFBDRN COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C2 ZINC000613483856 566198661 /nfs/dbraw/zinc/19/86/61/566198661.db2.gz SIHAZYFEFCQUIP-ZDUSSCGKSA-N 0 0 382.463 2.809 20 5 GFBDRN C[C@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000736038133 598888972 /nfs/dbraw/zinc/88/89/72/598888972.db2.gz SFMZSSXTHPTHOW-PGJNLMOESA-N 0 0 395.375 2.799 20 5 GFBDRN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736184916 598892048 /nfs/dbraw/zinc/89/20/48/598892048.db2.gz PDITUOXZGMIQDS-GFCCVEGCSA-N 0 0 394.391 2.522 20 5 GFBDRN Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000737400267 598975713 /nfs/dbraw/zinc/97/57/13/598975713.db2.gz RQNMKJUZKVCFMZ-UHFFFAOYSA-N 0 0 380.412 2.559 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000738358116 599064455 /nfs/dbraw/zinc/06/44/55/599064455.db2.gz LEDBZGCZYQXTFO-UHFFFAOYSA-N 0 0 384.371 2.962 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCC[C@@H](O)c3ccccc3)cc(-c3nn[nH]n3)c2c1 ZINC000823645971 599086044 /nfs/dbraw/zinc/08/60/44/599086044.db2.gz YKDCQKWWNRUNLV-QGZVFWFLSA-N 0 0 391.391 2.859 20 5 GFBDRN O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738262094 599118006 /nfs/dbraw/zinc/11/80/06/599118006.db2.gz ZULZPLMNZUMCPB-QGZVFWFLSA-N 0 0 382.405 2.663 20 5 GFBDRN CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1OCC ZINC000821417674 599142047 /nfs/dbraw/zinc/14/20/47/599142047.db2.gz QSEDXEMSSWFURK-UHFFFAOYSA-N 0 0 399.411 2.622 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737373007 599164124 /nfs/dbraw/zinc/16/41/24/599164124.db2.gz PGEMLUFVGVERCQ-UHFFFAOYSA-N 0 0 379.336 2.712 20 5 GFBDRN COc1ccc(CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000737090475 599253803 /nfs/dbraw/zinc/25/38/03/599253803.db2.gz PITJAVPEWALNOX-UHFFFAOYSA-N 0 0 391.391 2.986 20 5 GFBDRN O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000822955496 607298356 /nfs/dbraw/zinc/29/83/56/607298356.db2.gz XNGSVRCZPXZFQE-UHFFFAOYSA-N 0 0 395.379 2.522 20 5 GFBDRN O=Cc1cc(Oc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccc1Br ZINC000823557791 607306432 /nfs/dbraw/zinc/30/64/32/607306432.db2.gz QKYXORWKVFPDIY-UHFFFAOYSA-N 0 0 391.141 2.537 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N(Cc3cccnc3)C3CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644257 607304256 /nfs/dbraw/zinc/30/42/56/607304256.db2.gz HZPGHWPJJAGCIB-UHFFFAOYSA-N 0 0 388.391 2.887 20 5 GFBDRN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736743136 598281996 /nfs/dbraw/zinc/28/19/96/598281996.db2.gz ZXNPDHDIZOKKEW-UHFFFAOYSA-N 0 0 397.370 2.765 20 5 GFBDRN CCc1c(C)sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000736676438 598517625 /nfs/dbraw/zinc/51/76/25/598517625.db2.gz VAPXMGNLLBZYRI-UHFFFAOYSA-N 0 0 388.409 2.968 20 5 GFBDRN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736296927 598735586 /nfs/dbraw/zinc/73/55/86/598735586.db2.gz KUGJVPWNKBHUSW-LLVKDONJSA-N 0 0 396.432 2.845 20 5 GFBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736299158 598735738 /nfs/dbraw/zinc/73/57/38/598735738.db2.gz SKAZMCSCGMRQKT-LBPRGKRZSA-N 0 0 378.392 2.685 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2cnn(CCOc3cccc(-c4nn[nH]n4)c3)c2)cc1 ZINC000738359625 598802719 /nfs/dbraw/zinc/80/27/19/598802719.db2.gz KUIOIYVJYKNGHT-UHFFFAOYSA-N 0 0 377.364 2.717 20 5 GFBDRN COc1ccc(CNc2cc(-c3nn[nH]n3)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000737096514 599414974 /nfs/dbraw/zinc/41/49/74/599414974.db2.gz VRDUXPDEMNNWKS-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820390524 599502065 /nfs/dbraw/zinc/50/20/65/599502065.db2.gz IBQQOMJKEGSHJF-JTQLQIEISA-N 0 0 377.364 2.747 20 5 GFBDRN CCc1ccc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821475815 607419385 /nfs/dbraw/zinc/41/93/85/607419385.db2.gz AIUWTXBJUQRQPV-UHFFFAOYSA-N 0 0 383.364 2.703 20 5 GFBDRN O=C([O-])c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000740082018 600187372 /nfs/dbraw/zinc/18/73/72/600187372.db2.gz SYQLZFAUDQLQBP-AWEZNQCLSA-N 0 0 384.392 2.539 20 5 GFBDRN Cc1c(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826233973 607437455 /nfs/dbraw/zinc/43/74/55/607437455.db2.gz CBLXXKOVWFXXFE-UHFFFAOYSA-N 0 0 397.351 2.577 20 5 GFBDRN O=[N+]([O-])c1ccc(NCc2ccnc(OCC(F)(F)F)c2)cc1-c1nn[nH]n1 ZINC000826498740 607452358 /nfs/dbraw/zinc/45/23/58/607452358.db2.gz HVUJUAWSSAIQSD-UHFFFAOYSA-N 0 0 395.301 2.723 20 5 GFBDRN O=C(Nc1ncc2cc(-c3nn[nH]n3)ccc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826460416 607468675 /nfs/dbraw/zinc/46/86/75/607468675.db2.gz BREKTYWEIITKHD-UHFFFAOYSA-N 0 0 396.754 2.624 20 5 GFBDRN NC(=O)c1ccc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833084344 601540270 /nfs/dbraw/zinc/54/02/70/601540270.db2.gz MXSQTJVPNWBWBA-RDJZCZTQSA-N 0 0 375.425 2.549 20 5 GFBDRN CC(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000826687932 602249902 /nfs/dbraw/zinc/24/99/02/602249902.db2.gz SOUKACPPOUNVMO-MRXNPFEDSA-N 0 0 384.864 2.630 20 5 GFBDRN C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000738998765 602273821 /nfs/dbraw/zinc/27/38/21/602273821.db2.gz FRVOMZJOOIYDFW-RISCZKNCSA-N 0 0 375.385 2.655 20 5 GFBDRN COc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1-c1nn[nH]n1 ZINC000826203976 607559822 /nfs/dbraw/zinc/55/98/22/607559822.db2.gz PPUZPIWMVQJEGG-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN COc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1-c1nn[nH]n1 ZINC000826203866 607560088 /nfs/dbraw/zinc/56/00/88/607560088.db2.gz JNWZFVQAEPMPFY-UHFFFAOYSA-N 0 0 392.322 2.997 20 5 GFBDRN CN(CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000739661260 602387815 /nfs/dbraw/zinc/38/78/15/602387815.db2.gz PKTCLULUWRTPCL-UHFFFAOYSA-N 0 0 384.820 2.509 20 5 GFBDRN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[nH]n1 ZINC000826206499 607595772 /nfs/dbraw/zinc/59/57/72/607595772.db2.gz WUMAFLRUVLDMKQ-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN CCN(CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000827092913 603543471 /nfs/dbraw/zinc/54/34/71/603543471.db2.gz JSBQWZYPUMUNDO-UHFFFAOYSA-N 0 0 378.429 2.635 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826451069 607636319 /nfs/dbraw/zinc/63/63/19/607636319.db2.gz OPLAQZSBIBXRNI-UHFFFAOYSA-N 0 0 394.269 2.752 20 5 GFBDRN O=C([O-])NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000832658841 603575503 /nfs/dbraw/zinc/57/55/03/603575503.db2.gz WOAXCNPREGURRB-UHFFFAOYSA-N 0 0 381.392 2.805 20 5 GFBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823711042 603627799 /nfs/dbraw/zinc/62/77/99/603627799.db2.gz ABGBTYSIRNPROD-SNVBAGLBSA-N 0 0 386.836 2.801 20 5 GFBDRN O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832516655 604376447 /nfs/dbraw/zinc/37/64/47/604376447.db2.gz XOAWDCVHASHKOY-KSSFIOAISA-N 0 0 376.457 2.980 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822200910 606471067 /nfs/dbraw/zinc/47/10/67/606471067.db2.gz IFHTZWNRJWICDB-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821763022 606576430 /nfs/dbraw/zinc/57/64/30/606576430.db2.gz SOACZAVRYDDLQQ-LLVKDONJSA-N 0 0 397.395 2.975 20 5 GFBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823332603 606666610 /nfs/dbraw/zinc/66/66/10/606666610.db2.gz PBTCMIHRQJMURB-UHFFFAOYSA-N 0 0 380.698 2.959 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCOc1cccc(Cl)c1Cl ZINC000823625461 606702050 /nfs/dbraw/zinc/70/20/50/606702050.db2.gz WFOVQOHETLIJKK-UHFFFAOYSA-N 0 0 396.194 2.968 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000823619819 606712388 /nfs/dbraw/zinc/71/23/88/606712388.db2.gz BOSGXYQATCCNSK-SNVBAGLBSA-N 0 0 396.194 2.622 20 5 GFBDRN CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000819928761 606724226 /nfs/dbraw/zinc/72/42/26/606724226.db2.gz WNKJXTANAVVEQO-GFCCVEGCSA-N 0 0 388.428 2.723 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823634163 606788981 /nfs/dbraw/zinc/78/89/81/606788981.db2.gz BKOHTLXUUJHPLS-UHFFFAOYSA-N 0 0 394.164 2.684 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000823066119 606994328 /nfs/dbraw/zinc/99/43/28/606994328.db2.gz MPEIUPDSUNKSMM-UHFFFAOYSA-N 0 0 389.368 2.750 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000821669012 607026329 /nfs/dbraw/zinc/02/63/29/607026329.db2.gz UMNMBWMGWCRRTC-UHFFFAOYSA-N 0 0 388.771 2.827 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000822271242 607079944 /nfs/dbraw/zinc/07/99/44/607079944.db2.gz SQSOKNMDXQFDIJ-UHFFFAOYSA-N 0 0 383.364 2.846 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1csc(-c2ccccc2)n1 ZINC000823625596 607165655 /nfs/dbraw/zinc/16/56/55/607165655.db2.gz YXTLLBTUCHWXPE-UHFFFAOYSA-N 0 0 380.393 2.906 20 5 GFBDRN O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826468576 607777776 /nfs/dbraw/zinc/77/77/76/607777776.db2.gz YDMROWTVXRYPQD-UHFFFAOYSA-N 0 0 376.332 2.989 20 5 GFBDRN CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000825998784 607848153 /nfs/dbraw/zinc/84/81/53/607848153.db2.gz CSBMORJGGPNLBD-UHFFFAOYSA-N 0 0 394.370 2.871 20 5 GFBDRN CCCCOc1c(I)cc(-c2nn[nH]n2)cc1[N+](=O)[O-] 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GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc3ccccc3n2C2CC2)s1 ZINC000185121829 552354662 /nfs/dbraw/zinc/35/46/62/552354662.db2.gz JLRNDIJZERKAKW-UHFFFAOYSA-N 0 0 378.435 2.819 20 5 GFBDRN COCC1=CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000185806963 552371224 /nfs/dbraw/zinc/37/12/24/552371224.db2.gz HVKNWBYZJWTSSO-UHFFFAOYSA-N 0 0 384.230 2.574 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000185915577 552374186 /nfs/dbraw/zinc/37/41/86/552374186.db2.gz DRKXTXOEEFOATC-WFASDCNBSA-N 0 0 382.463 2.933 20 5 GFBDRN CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000186007650 552377051 /nfs/dbraw/zinc/37/70/51/552377051.db2.gz KZSFCXWIUWGRLU-LLVKDONJSA-N 0 0 391.877 2.603 20 5 GFBDRN Cc1cc(Br)c2c(c1)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000186533309 552390217 /nfs/dbraw/zinc/39/02/17/552390217.db2.gz FEFHTZKKXAPRJY-UHFFFAOYSA-N 0 0 393.241 2.837 20 5 GFBDRN COC(=O)[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000187868727 552426694 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C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000248425763 553129278 /nfs/dbraw/zinc/12/92/78/553129278.db2.gz JIQRZLGZGRYQEH-LRDDRELGSA-N 0 0 382.463 2.948 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000248713799 553133613 /nfs/dbraw/zinc/13/36/13/553133613.db2.gz DRKXTXOEEFOATC-SWLSCSKDSA-N 0 0 382.463 2.933 20 5 GFBDRN CC[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CCS1 ZINC000418918224 563229920 /nfs/dbraw/zinc/22/99/20/563229920.db2.gz ZFXSHKOQAAEOKR-MRVPVSSYSA-N 0 0 379.223 2.926 20 5 GFBDRN C[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000418936189 563230867 /nfs/dbraw/zinc/23/08/67/563230867.db2.gz LXWMJEFLTWCGAO-PRHODGIISA-N 0 0 389.193 2.598 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCC(O)CC3)CC2)c(Cl)c1 ZINC000295146919 563230860 /nfs/dbraw/zinc/23/08/60/563230860.db2.gz AKDGYPZHIDOLAV-UHFFFAOYSA-N 0 0 388.873 2.954 20 5 GFBDRN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000370113682 563233815 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2.559 20 5 GFBDRN C[C@@H]1[C@H](C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000419841173 563251850 /nfs/dbraw/zinc/25/18/50/563251850.db2.gz ZSHPGKWZCCDYGZ-BBBLOLIVSA-N 0 0 384.230 2.799 20 5 GFBDRN C[C@H]1C[C@H](S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000295550832 563253152 /nfs/dbraw/zinc/25/31/52/563253152.db2.gz KINSJBBBYMMHPJ-WCBMZHEXSA-N 0 0 380.216 2.633 20 5 GFBDRN CCS(=O)(=O)C[C@@H](C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278409929 563253611 /nfs/dbraw/zinc/25/36/11/563253611.db2.gz HNLBOXWZENLCKU-SSDOTTSWSA-N 0 0 391.318 2.879 20 5 GFBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)C[C@@H]2CCCCO2)cc(C(F)(F)F)c1 ZINC000278459738 563256732 /nfs/dbraw/zinc/25/67/32/563256732.db2.gz XQSDRVCMEHDRTC-ZDUSSCGKSA-N 0 0 382.360 2.602 20 5 GFBDRN CC1(C)CCN(c2ccc(Br)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000278510168 563259437 /nfs/dbraw/zinc/25/94/37/563259437.db2.gz RJXGRTCHOKPCDW-UHFFFAOYSA-N 0 0 377.260 2.761 20 5 GFBDRN Cc1cccc2c1CNCCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420452176 563263628 /nfs/dbraw/zinc/26/36/28/563263628.db2.gz ABYAFRAELOVFRV-UHFFFAOYSA-N 0 0 381.841 2.855 20 5 GFBDRN CC(C)n1ncnc1COc1cc([N+](=O)[O-])ccc1I ZINC000278630424 563264289 /nfs/dbraw/zinc/26/42/89/563264289.db2.gz KNGYFFVCIABHFR-UHFFFAOYSA-N 0 0 388.165 2.951 20 5 GFBDRN NS(=O)(=O)c1ccc(Oc2nc(C3CCCCC3)ns2)c([N+](=O)[O-])c1 ZINC000420592297 563268385 /nfs/dbraw/zinc/26/83/85/563268385.db2.gz YLNMSEWLNUTFKJ-UHFFFAOYSA-N 0 0 384.439 2.934 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371530146 563279958 /nfs/dbraw/zinc/27/99/58/563279958.db2.gz WSEFRJIDQYHZMT-SMDDNHRTSA-N 0 0 387.230 2.510 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420730267 563280005 /nfs/dbraw/zinc/28/00/05/563280005.db2.gz APFXESRWCFCXAF-SNVBAGLBSA-N 0 0 382.360 2.957 20 5 GFBDRN CC(C)N1C(=S)N=NC1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279044957 563281699 /nfs/dbraw/zinc/28/16/99/563281699.db2.gz AQFCXJAUZKIJBA-UHFFFAOYSA-N 0 0 387.824 2.707 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C[C@@H](C)O2 ZINC000279133507 563285141 /nfs/dbraw/zinc/28/51/41/563285141.db2.gz AAFWTNLASPXHQR-OHUAYANFSA-N 0 0 399.241 2.766 20 5 GFBDRN C[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000296568885 563292968 /nfs/dbraw/zinc/29/29/68/563292968.db2.gz IJXUKLIXFJPYHA-JTQLQIEISA-N 0 0 382.218 2.614 20 5 GFBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)cs1 ZINC000421396731 563309787 /nfs/dbraw/zinc/30/97/87/563309787.db2.gz ZNKGXJYPHWGJMP-UHFFFAOYSA-N 0 0 389.886 2.720 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000372726208 563315313 /nfs/dbraw/zinc/31/53/13/563315313.db2.gz MMGGZJIBRZFOII-IINYFYTJSA-N 0 0 382.825 2.747 20 5 GFBDRN Cc1nn(CCC(=O)N[C@H](C)c2ccc(Br)cn2)c(C)c1[N+](=O)[O-] ZINC000279979297 563317158 /nfs/dbraw/zinc/31/71/58/563317158.db2.gz KZCQBTBMXKJYBY-SECBINFHSA-N 0 0 396.245 2.833 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000372800956 563318027 /nfs/dbraw/zinc/31/80/27/563318027.db2.gz IQCATSBRFIIKFG-UHFFFAOYSA-N 0 0 378.182 2.656 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000373190784 563331407 /nfs/dbraw/zinc/33/14/07/563331407.db2.gz BVIWBTAYPIMVEX-SECBINFHSA-N 0 0 396.222 2.564 20 5 GFBDRN CCc1[nH]nc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1Br ZINC000280800888 563354449 /nfs/dbraw/zinc/35/44/49/563354449.db2.gz MBXLJTWOCIUNCV-UHFFFAOYSA-N 0 0 383.202 2.969 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000281396686 563375983 /nfs/dbraw/zinc/37/59/83/563375983.db2.gz PIXCBZKGVRJNHK-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374708694 563380554 /nfs/dbraw/zinc/38/05/54/563380554.db2.gz BSFFBZYWTIKGMY-CYBMUJFWSA-N 0 0 381.841 2.897 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(F)(F)Br ZINC000299287009 563380732 /nfs/dbraw/zinc/38/07/32/563380732.db2.gz MAWQABWZPSJOJV-UHFFFAOYSA-N 0 0 394.172 2.596 20 5 GFBDRN Cc1n[nH]c(C(=O)N(C)CCOc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000299496892 563384089 /nfs/dbraw/zinc/38/40/89/563384089.db2.gz BJPBRAZDVFNVNY-UHFFFAOYSA-N 0 0 383.202 2.540 20 5 GFBDRN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000299632818 563388140 /nfs/dbraw/zinc/38/81/40/563388140.db2.gz CPLXCKGQJVVDRA-GWCFXTLKSA-N 0 0 383.495 2.747 20 5 GFBDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000281972863 563392586 /nfs/dbraw/zinc/39/25/86/563392586.db2.gz UMDFYODWDVNLNY-NMKXLXIOSA-N 0 0 388.511 2.826 20 5 GFBDRN CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301227585 563397329 /nfs/dbraw/zinc/39/73/29/563397329.db2.gz CQNJGZRVUWXKAK-UWVGGRQHSA-N 0 0 382.360 2.892 20 5 GFBDRN CSC[C@@H](CCO)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000301356736 563401490 /nfs/dbraw/zinc/40/14/90/563401490.db2.gz NEBPUYNTPXGKSE-SECBINFHSA-N 0 0 382.223 2.725 20 5 GFBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)Oc1ccc(Cl)cc1 ZINC000301473407 563404464 /nfs/dbraw/zinc/40/44/64/563404464.db2.gz RAUHEOHCGNDADG-JTQLQIEISA-N 0 0 385.829 2.775 20 5 GFBDRN CCC(=O)N1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375539456 563408963 /nfs/dbraw/zinc/40/89/63/563408963.db2.gz JQUPIYDTWPFMDV-UHFFFAOYSA-N 0 0 399.245 2.834 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NCCCc1nnc2ccccn21 ZINC000301674821 563409689 /nfs/dbraw/zinc/40/96/89/563409689.db2.gz GZONCYMVWFPNFF-UHFFFAOYSA-N 0 0 377.202 2.840 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC000301722315 563410995 /nfs/dbraw/zinc/41/09/95/563410995.db2.gz NNFZAYYBWVFOEB-HZMBPMFUSA-N 0 0 376.381 2.596 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCS[C@H](c2ccccc2)C1 ZINC000301799495 563412716 /nfs/dbraw/zinc/41/27/16/563412716.db2.gz RQZLXBMFDOKCSG-HNNXBMFYSA-N 0 0 379.463 2.537 20 5 GFBDRN CS(=O)(=O)CCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000425263438 563415817 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2.695 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282803774 563425144 /nfs/dbraw/zinc/42/51/44/563425144.db2.gz RSNMTXFKKIBDNT-CYBMUJFWSA-N 0 0 384.845 2.646 20 5 GFBDRN Cc1cc(N2CCN(Cc3ccon3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302642935 563427681 /nfs/dbraw/zinc/42/76/81/563427681.db2.gz FCSJAHCXANCQQD-UHFFFAOYSA-N 0 0 381.230 2.976 20 5 GFBDRN Cc1cc(N[C@H]2CCN(c3cnn(C)c3)C2=O)c(Br)cc1[N+](=O)[O-] ZINC000302719856 563428852 /nfs/dbraw/zinc/42/88/52/563428852.db2.gz ZOPWESLTTYELTI-LBPRGKRZSA-N 0 0 394.229 2.617 20 5 GFBDRN Cc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(Br)cc1[N+](=O)[O-] ZINC000302719855 563428874 /nfs/dbraw/zinc/42/88/74/563428874.db2.gz ZOPWESLTTYELTI-GFCCVEGCSA-N 0 0 394.229 2.617 20 5 GFBDRN O=C(CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000376185771 563432767 /nfs/dbraw/zinc/43/27/67/563432767.db2.gz GBTKAUOAFDKFRC-UHFFFAOYSA-N 0 0 375.435 2.658 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Br)c2)c(F)c1 ZINC000314529758 563439326 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Cc1c(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cccc1[N+](=O)[O-] ZINC000285016787 563498761 /nfs/dbraw/zinc/49/87/61/563498761.db2.gz CQHLJWZYJWSETF-DOMZBBRYSA-N 0 0 386.235 2.884 20 5 GFBDRN C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358102 563503644 /nfs/dbraw/zinc/50/36/44/563503644.db2.gz YDHHVNXGHNVBGC-OAHLLOKOSA-N 0 0 397.317 2.569 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000378366128 563504177 /nfs/dbraw/zinc/50/41/77/563504177.db2.gz ATXCNSHVALFLMF-XJKSGUPXSA-N 0 0 380.447 2.965 20 5 GFBDRN CCC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000330539333 563510334 /nfs/dbraw/zinc/51/03/34/563510334.db2.gz QTPHGSKHYIYRED-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](n3cc4ccccc4n3)C2)s1 ZINC000378565380 563511443 /nfs/dbraw/zinc/51/14/43/563511443.db2.gz DQRWIFDLWILBFN-LBPRGKRZSA-N 0 0 378.435 2.642 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430151368 563536063 /nfs/dbraw/zinc/53/60/63/563536063.db2.gz BRIPWQPDLKXRAN-CYBMUJFWSA-N 0 0 393.237 2.938 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC23CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000430339781 563541579 /nfs/dbraw/zinc/54/15/79/563541579.db2.gz IYRHTCXDXRAVIY-UHFFFAOYSA-N 0 0 382.214 2.759 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CC[C@](C)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430332676 563541914 /nfs/dbraw/zinc/54/19/14/563541914.db2.gz ZLWNWIKXURPEBE-AWEZNQCLSA-N 0 0 388.193 2.565 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000408083674 563543339 /nfs/dbraw/zinc/54/33/39/563543339.db2.gz YAZMPGYDYSGAAE-IUCAKERBSA-N 0 0 389.271 2.647 20 5 GFBDRN CN(C1CCC(CO)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285969604 563543747 /nfs/dbraw/zinc/54/37/47/563543747.db2.gz LFXCIJNPMJOXSM-UHFFFAOYSA-N 0 0 380.825 2.559 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286036321 563546642 /nfs/dbraw/zinc/54/66/42/563546642.db2.gz BJRVWEISUOUNJM-ZWNOBZJWSA-N 0 0 378.372 2.706 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431291162 563558216 /nfs/dbraw/zinc/55/82/16/563558216.db2.gz PISCIJSRBOBEAG-UHFFFAOYSA-N 0 0 387.820 2.919 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000286384344 563558462 /nfs/dbraw/zinc/55/84/62/563558462.db2.gz KMHQMWGGLUEVTA-ZDUSSCGKSA-N 0 0 396.245 2.921 20 5 GFBDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286373540 563558587 /nfs/dbraw/zinc/55/85/87/563558587.db2.gz AXOPWAOUYOVVQL-TZMCWYRMSA-N 0 0 398.257 2.780 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000286511572 563563216 /nfs/dbraw/zinc/56/32/16/563563216.db2.gz OIEILFADUPPBAW-GTUYJWLHSA-N 0 0 389.271 2.649 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1CC(F)F ZINC000286781696 563575040 /nfs/dbraw/zinc/57/50/40/563575040.db2.gz SBNHLUULIOKEPR-VIFPVBQESA-N 0 0 379.157 2.854 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H](c3cccc(Cl)c3)C2)c1 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563749739 /nfs/dbraw/zinc/74/97/39/563749739.db2.gz USHSIUKDTYIWMN-GFCCVEGCSA-N 0 0 386.495 2.602 20 5 GFBDRN C[C@H](CO[C@H]1CCOC1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000441813741 563764121 /nfs/dbraw/zinc/76/41/21/563764121.db2.gz NLFKMLZFNXFWMV-PWSUYJOCSA-N 0 0 396.241 2.933 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C3CCOCC3)C2)c1 ZINC000365017265 563772068 /nfs/dbraw/zinc/77/20/68/563772068.db2.gz UUIQOVDAPQMGQB-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN Cc1cc(N[C@H]2CCN(C3CCOCC3)C2=O)c(Br)cc1[N+](=O)[O-] ZINC000365264275 563778354 /nfs/dbraw/zinc/77/83/54/563778354.db2.gz FNKWRWHCHYHAIA-ZDUSSCGKSA-N 0 0 398.257 2.858 20 5 GFBDRN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365409059 563782261 /nfs/dbraw/zinc/78/22/61/563782261.db2.gz FXMTXSBRDAWJIN-QMMMGPOBSA-N 0 0 375.332 2.744 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CCO2 ZINC000292406281 563785472 /nfs/dbraw/zinc/78/54/72/563785472.db2.gz SEVORYPCTWOADM-BJOHPYRUSA-N 0 0 375.208 2.922 20 5 GFBDRN O=C(NC[C@@H]1CCCn2ccnc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000365771233 563792990 /nfs/dbraw/zinc/79/29/90/563792990.db2.gz XCKMPUXVCLWDIF-QMMMGPOBSA-N 0 0 385.243 2.923 20 5 GFBDRN Cn1ccnc1[C@@H]1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000365788459 563793820 /nfs/dbraw/zinc/79/38/20/563793820.db2.gz LFEMYEBFZHNOJI-MRVPVSSYSA-N 0 0 385.243 2.782 20 5 GFBDRN Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366068563 563798099 /nfs/dbraw/zinc/79/80/99/563798099.db2.gz QMCFRJMZMDUOTC-ZDUSSCGKSA-N 0 0 384.845 2.816 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000293127637 563801890 /nfs/dbraw/zinc/80/18/90/563801890.db2.gz KZYJCKCSLXWXCO-VIFPVBQESA-N 0 0 380.800 2.816 20 5 GFBDRN Cc1nnc2n1CCC[C@@H]2NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000366634066 563815950 /nfs/dbraw/zinc/81/59/50/563815950.db2.gz KEZLBZNDBUKHKG-LBPRGKRZSA-N 0 0 394.229 2.831 20 5 GFBDRN CCCN([C@@H](C)C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443974864 563817150 /nfs/dbraw/zinc/81/71/50/563817150.db2.gz XAIIHNVRFCICIB-JTQLQIEISA-N 0 0 378.834 2.601 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(n2ccnn2)CC1 ZINC000366950669 563826224 /nfs/dbraw/zinc/82/62/24/563826224.db2.gz GEIUSVABUDSMBQ-UHFFFAOYSA-N 0 0 394.229 2.735 20 5 GFBDRN O=C(Nc1n[nH]cc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000293872465 563827125 /nfs/dbraw/zinc/82/71/25/563827125.db2.gz JDRLQHJHHKWFOE-UHFFFAOYSA-N 0 0 394.229 2.936 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN[C@H](c2ccncc2)C1 ZINC000367093619 563831217 /nfs/dbraw/zinc/83/12/17/563831217.db2.gz UKNPTUYQQAHJPW-HNNXBMFYSA-N 0 0 391.225 2.539 20 5 GFBDRN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000294228964 563835501 /nfs/dbraw/zinc/83/55/01/563835501.db2.gz FTIJZVZPDJFCGS-ZCFIWIBFSA-N 0 0 377.710 2.887 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC000446027695 563856685 /nfs/dbraw/zinc/85/66/85/563856685.db2.gz YLXHROAVLCORPL-UHFFFAOYSA-N 0 0 383.813 2.597 20 5 GFBDRN C[C@H](c1ncc(Br)cn1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367875127 563858279 /nfs/dbraw/zinc/85/82/79/563858279.db2.gz LLOOTESNLGTCHW-PWSUYJOCSA-N 0 0 381.234 2.742 20 5 GFBDRN Cc1nc(C(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000446156224 563859538 /nfs/dbraw/zinc/85/95/38/563859538.db2.gz BBYWZJBBSIHTDV-UHFFFAOYSA-N 0 0 383.202 2.643 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCO[C@@H](CF)C1 ZINC000417111124 563868307 /nfs/dbraw/zinc/86/83/07/563868307.db2.gz LIUTZEIRJHNRSG-LBPRGKRZSA-N 0 0 376.182 2.950 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000446951113 563871209 /nfs/dbraw/zinc/87/12/09/563871209.db2.gz SLTDNZHPORTVAG-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000368497284 563872125 /nfs/dbraw/zinc/87/21/25/563872125.db2.gz XJFAURQWRFSYCE-JTQLQIEISA-N 0 0 394.229 2.804 20 5 GFBDRN Cc1ncsc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447042559 563873148 /nfs/dbraw/zinc/87/31/48/563873148.db2.gz SRNPRQFIIIWBPD-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCNC(=O)c1cccs1 ZINC000447801651 563887225 /nfs/dbraw/zinc/88/72/25/563887225.db2.gz DISYJMWDDFSUSN-UHFFFAOYSA-N 0 0 383.813 2.938 20 5 GFBDRN COCCN([C@H]1CCCSC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000447941359 563891992 /nfs/dbraw/zinc/89/19/92/563891992.db2.gz RBDOEOVWXHHRKP-AWEZNQCLSA-N 0 0 388.511 2.744 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCc3c(F)cc(Br)cc32)c1 ZINC000538630680 564195008 /nfs/dbraw/zinc/19/50/08/564195008.db2.gz CGKPRJRALAGLHT-LBPRGKRZSA-N 0 0 399.220 2.507 20 5 GFBDRN CS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538701373 564197564 /nfs/dbraw/zinc/19/75/64/564197564.db2.gz LUXULNHJLWPYBC-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1CO ZINC000538943738 564206363 /nfs/dbraw/zinc/20/63/63/564206363.db2.gz RSHPLEXJRMQQFL-QPUJVOFHSA-N 0 0 383.253 2.683 20 5 GFBDRN CCC(CC)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000507026124 564216441 /nfs/dbraw/zinc/21/64/41/564216441.db2.gz CEUTXSWYLUQBKN-UHFFFAOYSA-N 0 0 387.527 2.812 20 5 GFBDRN CC(=O)NCCN(Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])nc1 ZINC000450506942 564235687 /nfs/dbraw/zinc/23/56/87/564235687.db2.gz OALDXXKRDIAJDD-UHFFFAOYSA-N 0 0 399.270 2.957 20 5 GFBDRN CS(=O)(=O)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCCC1 ZINC000450536193 564237689 /nfs/dbraw/zinc/23/76/89/564237689.db2.gz STUYRNDTVAQOPO-UHFFFAOYSA-N 0 0 381.479 2.910 20 5 GFBDRN C[C@@H]1C[C@H](O)CN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000472993447 564238279 /nfs/dbraw/zinc/23/82/79/564238279.db2.gz ZDZHKXWSMAUQHR-SCZZXKLOSA-N 0 0 385.207 2.683 20 5 GFBDRN CO[C@@H]1COCC[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000450691113 564244401 /nfs/dbraw/zinc/24/44/01/564244401.db2.gz IAALZJLKAADKAX-MEBBXXQBSA-N 0 0 396.241 2.791 20 5 GFBDRN O=C(CNC(=O)c1cccc(Br)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473353931 564245477 /nfs/dbraw/zinc/24/54/77/564245477.db2.gz BBKNQYGUEFLDAO-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN NC(=O)c1ccnc(N2CC[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000450768777 564246579 /nfs/dbraw/zinc/24/65/79/564246579.db2.gz XAVNDDQZOUVCPG-LLVKDONJSA-N 0 0 391.225 2.845 20 5 GFBDRN COCC[C@@H](COC)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000564760357 564248053 /nfs/dbraw/zinc/24/80/53/564248053.db2.gz HDZBQLSPENHIBT-JTQLQIEISA-N 0 0 376.207 2.530 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000450789794 564248639 /nfs/dbraw/zinc/24/86/39/564248639.db2.gz GOPKYYXVAQRQAV-FZMZJTMJSA-N 0 0 379.214 2.901 20 5 GFBDRN Cn1nccc1[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000450839992 564250387 /nfs/dbraw/zinc/25/03/87/564250387.db2.gz IDRBLFGZJLVYAH-GWCFXTLKSA-N 0 0 382.218 2.818 20 5 GFBDRN Cc1ccc(C[C@H](CO)CNc2c([N+](=O)[O-])ncn2C)cc1Br ZINC000450844918 564251107 /nfs/dbraw/zinc/25/11/07/564251107.db2.gz MKKHNCTUVBDNQL-LBPRGKRZSA-N 0 0 383.246 2.662 20 5 GFBDRN NS(=O)(=O)c1cc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000450870036 564252324 /nfs/dbraw/zinc/25/23/24/564252324.db2.gz YQFOMDQIFMRBPZ-QMTHXVAHSA-N 0 0 383.451 2.636 20 5 GFBDRN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474181585 564268567 /nfs/dbraw/zinc/26/85/67/564268567.db2.gz YELPRMZCEGBVGI-UHFFFAOYSA-N 0 0 384.285 2.912 20 5 GFBDRN CSCCCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000541212605 564269589 /nfs/dbraw/zinc/26/95/89/564269589.db2.gz AYMAJMZGEITGLF-UHFFFAOYSA-N 0 0 387.527 2.959 20 5 GFBDRN CC(=O)N1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000565219102 564270673 /nfs/dbraw/zinc/27/06/73/564270673.db2.gz REODZKJIPOMHKY-UHFFFAOYSA-N 0 0 394.225 2.938 20 5 GFBDRN CCC(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541303047 564273898 /nfs/dbraw/zinc/27/38/98/564273898.db2.gz KKDZDIIVPQLHGK-GFCCVEGCSA-N 0 0 385.873 2.858 20 5 GFBDRN CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474359369 564276254 /nfs/dbraw/zinc/27/62/54/564276254.db2.gz WZLLUNJDOXLBAS-UHFFFAOYSA-N 0 0 380.198 2.720 20 5 GFBDRN COC(=O)[C@@H](CC(F)F)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541455425 564279770 /nfs/dbraw/zinc/27/97/70/564279770.db2.gz GOIIALQHGQEZOB-MRVPVSSYSA-N 0 0 382.772 2.653 20 5 GFBDRN COc1ccc(COc2ccc(I)cc2[N+](=O)[O-])nn1 ZINC000509090569 564281679 /nfs/dbraw/zinc/28/16/79/564281679.db2.gz RJJSUSPWATZCMF-UHFFFAOYSA-N 0 0 387.133 2.577 20 5 GFBDRN Cc1c(Br)c(N2CCC[C@@H](C(=O)N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000541577949 564284416 /nfs/dbraw/zinc/28/44/16/564284416.db2.gz MLXDSBPXVSVIMT-GFCCVEGCSA-N 0 0 397.273 2.900 20 5 GFBDRN O=C(NCc1n[nH]cc1Br)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541952041 564296244 /nfs/dbraw/zinc/29/62/44/564296244.db2.gz KWUOZYMNCYKFTR-UHFFFAOYSA-N 0 0 391.128 2.612 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-] ZINC000542219351 564304919 /nfs/dbraw/zinc/30/49/19/564304919.db2.gz PWUDVYXZFZKBEG-UHFFFAOYSA-N 0 0 394.229 2.680 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](O)CCc1ccccc1 ZINC000542316767 564309689 /nfs/dbraw/zinc/30/96/89/564309689.db2.gz CBQGHVIVEUDSLN-CYBMUJFWSA-N 0 0 384.841 2.520 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](O)CCc1ccccc1 ZINC000542316768 564309751 /nfs/dbraw/zinc/30/97/51/564309751.db2.gz CBQGHVIVEUDSLN-ZDUSSCGKSA-N 0 0 384.841 2.520 20 5 GFBDRN CC(=O)NC1CCC(N(C)c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542553746 564317886 /nfs/dbraw/zinc/31/78/86/564317886.db2.gz IMGUBQOQMVLVFC-UHFFFAOYSA-N 0 0 385.262 2.944 20 5 GFBDRN C[C@H]1c2cccc(Br)c2CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000509929222 564318355 /nfs/dbraw/zinc/31/83/55/564318355.db2.gz MLBQWKWSLOCCTD-JTQLQIEISA-N 0 0 379.214 2.700 20 5 GFBDRN COc1cc(S(=O)(=O)NC[C@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000451609904 564330953 /nfs/dbraw/zinc/33/09/53/564330953.db2.gz DTFGMUPYBCKKKI-NSHDSACASA-N 0 0 380.447 2.771 20 5 GFBDRN COc1ccc(S(=O)(=O)NC[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000451611577 564331276 /nfs/dbraw/zinc/33/12/76/564331276.db2.gz JDSYYJVZGFZARL-LLVKDONJSA-N 0 0 380.447 2.771 20 5 GFBDRN CCOC(=O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000510373377 564332008 /nfs/dbraw/zinc/33/20/08/564332008.db2.gz GKKFDGRJWYIRHR-UHFFFAOYSA-N 0 0 390.845 2.648 20 5 GFBDRN CCC[C@]1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOC1 ZINC000510519518 564336534 /nfs/dbraw/zinc/33/65/34/564336534.db2.gz TZROFMNHOLDTHC-ZDUSSCGKSA-N 0 0 393.259 2.595 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000451658049 564336919 /nfs/dbraw/zinc/33/69/19/564336919.db2.gz XAWFLINLLLJFSQ-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN CCC[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOC1 ZINC000510532269 564337580 /nfs/dbraw/zinc/33/75/80/564337580.db2.gz FTANNGXNENUMNQ-CYBMUJFWSA-N 0 0 382.360 2.851 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000543145346 564339181 /nfs/dbraw/zinc/33/91/81/564339181.db2.gz CFCLZAGDZLLNMV-MWLCHTKSSA-N 0 0 386.246 2.522 20 5 GFBDRN Cn1ccnc1[C@H]1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451686268 564339981 /nfs/dbraw/zinc/33/99/81/564339981.db2.gz FDTOZJSJUVYWBZ-CYBMUJFWSA-N 0 0 384.845 2.754 20 5 GFBDRN Cc1c(Br)c(N2CCN(CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000543438997 564350304 /nfs/dbraw/zinc/35/03/04/564350304.db2.gz ZDCVWGTZJXCOIH-UHFFFAOYSA-N 0 0 399.289 2.609 20 5 GFBDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000476839609 564354702 /nfs/dbraw/zinc/35/47/02/564354702.db2.gz FCFXDEYVKMUEGH-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN Cc1csc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)n1 ZINC000543609696 564355252 /nfs/dbraw/zinc/35/52/52/564355252.db2.gz QTBWUERGHSCAQD-SNVBAGLBSA-N 0 0 381.479 2.978 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000451842602 564357866 /nfs/dbraw/zinc/35/78/66/564357866.db2.gz URSIMHVVXPVFSU-SKDRFNHKSA-N 0 0 382.360 2.659 20 5 GFBDRN COCCO[C@H]1C[C@H](CO)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000567119250 564358178 /nfs/dbraw/zinc/35/81/78/564358178.db2.gz BMEDMLCFHCPZQK-JQWIXIFHSA-N 0 0 379.240 2.752 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@]2(C)OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000567150530 564359436 /nfs/dbraw/zinc/35/94/36/564359436.db2.gz FDSVFYLBRWGZFT-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN Cn1ncc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c(Br)c1=O ZINC000477134763 564366413 /nfs/dbraw/zinc/36/64/13/564366413.db2.gz GYRNAJRMZRJMLP-UHFFFAOYSA-N 0 0 387.621 2.759 20 5 GFBDRN Cc1c(CC(=O)N=c2cc3ccc(Br)cn3[nH]2)cccc1[N+](=O)[O-] ZINC000511312802 564366607 /nfs/dbraw/zinc/36/66/07/564366607.db2.gz BANLUKXKKCSMOC-UHFFFAOYSA-N 0 0 389.209 2.917 20 5 GFBDRN CC(C)n1ncc2cc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)cnc21 ZINC000477420217 564376244 /nfs/dbraw/zinc/37/62/44/564376244.db2.gz OKQYGGWHOGGCDX-UHFFFAOYSA-N 0 0 392.213 2.893 20 5 GFBDRN Cc1cc(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)n[nH]1 ZINC000545007265 564406862 /nfs/dbraw/zinc/40/68/62/564406862.db2.gz NLXMDSOYJQCHIN-UHFFFAOYSA-N 0 0 378.186 2.953 20 5 GFBDRN CO[C@@H](c1noc(Cn2ccc([N+](=O)[O-])n2)n1)c1ccc(Br)cc1 ZINC000545102699 564409149 /nfs/dbraw/zinc/40/91/49/564409149.db2.gz OMALQFJEAIEQLV-CYBMUJFWSA-N 0 0 394.185 2.721 20 5 GFBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H](O)C(F)F ZINC000452486526 564417950 /nfs/dbraw/zinc/41/79/50/564417950.db2.gz ZGYSSYMKXDLEIJ-MNOVXSKESA-N 0 0 381.173 2.800 20 5 GFBDRN C[C@@](O)(COc1ccc(I)cc1[N+](=O)[O-])C(F)(F)F ZINC000513208012 564424706 /nfs/dbraw/zinc/42/47/06/564424706.db2.gz KTWZASJFKWLUKD-SECBINFHSA-N 0 0 391.083 2.892 20 5 GFBDRN COc1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ncc1Br ZINC000568804930 564435314 /nfs/dbraw/zinc/43/53/14/564435314.db2.gz KBQDTADRTNZQCY-UHFFFAOYSA-N 0 0 392.213 2.714 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H](C2CC2)C1 ZINC000479342781 564436362 /nfs/dbraw/zinc/43/63/62/564436362.db2.gz LGIQDPTUZWFAGF-JTQLQIEISA-N 0 0 375.244 2.778 20 5 GFBDRN CNC(=O)[C@@H](C)CN(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000479487037 564441441 /nfs/dbraw/zinc/44/14/41/564441441.db2.gz GMMUHSONUBNOMU-VIFPVBQESA-N 0 0 381.230 2.724 20 5 GFBDRN Cc1c(CN[C@H](C(N)=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000479491608 564442835 /nfs/dbraw/zinc/44/28/35/564442835.db2.gz UCJLOWHGENRCBQ-HNNXBMFYSA-N 0 0 378.226 2.982 20 5 GFBDRN CN(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546179187 564448569 /nfs/dbraw/zinc/44/85/69/564448569.db2.gz VZLVTYFSPGIJEZ-INIZCTEOSA-N 0 0 383.857 2.829 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000569293657 564457321 /nfs/dbraw/zinc/45/73/21/564457321.db2.gz NSXAOHCJOQXYTB-VIFPVBQESA-N 0 0 378.250 2.939 20 5 GFBDRN CCS(=O)(=O)Cc1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000546512070 564458310 /nfs/dbraw/zinc/45/83/10/564458310.db2.gz KQRYOFBGSAESKV-UHFFFAOYSA-N 0 0 380.407 2.703 20 5 GFBDRN CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000480048954 564459636 /nfs/dbraw/zinc/45/96/36/564459636.db2.gz UDPPCNXVDUFWSR-GFCCVEGCSA-N 0 0 383.253 2.947 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000453914237 564481631 /nfs/dbraw/zinc/48/16/31/564481631.db2.gz PXTANSGUHAZUJZ-PHIMTYICSA-N 0 0 396.241 2.944 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC000569926389 564483929 /nfs/dbraw/zinc/48/39/29/564483929.db2.gz XIZKTEFCYDEFQD-NXEZZACHSA-N 0 0 388.193 2.693 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000569924573 564484063 /nfs/dbraw/zinc/48/40/63/564484063.db2.gz ZIRRKWLSBGGOMM-CYBMUJFWSA-N 0 0 384.845 2.643 20 5 GFBDRN COCCC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000481270184 564508537 /nfs/dbraw/zinc/50/85/37/564508537.db2.gz UFAZXCDORISIIT-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000516758097 564510925 /nfs/dbraw/zinc/51/09/25/564510925.db2.gz QBCFWZPIKACTCG-HNNXBMFYSA-N 0 0 394.225 2.910 20 5 GFBDRN Cc1c(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000481494213 564514247 /nfs/dbraw/zinc/51/42/47/564514247.db2.gz QFEDFXCQYUPGMF-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(C(F)(F)F)n[nH]1 ZINC000481915478 564528437 /nfs/dbraw/zinc/52/84/37/564528437.db2.gz VZTMNKAFZZLIFE-UHFFFAOYSA-N 0 0 395.750 2.794 20 5 GFBDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000481961117 564529664 /nfs/dbraw/zinc/52/96/64/564529664.db2.gz MCQMFYXPPLHBHG-LBPRGKRZSA-N 0 0 383.191 2.765 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccn1-c1ccccc1 ZINC000517768265 564542424 /nfs/dbraw/zinc/54/24/24/564542424.db2.gz RHCNEGLUXDHBCM-LLVKDONJSA-N 0 0 378.435 2.882 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H](CO)CC2)c1 ZINC000517952045 564544210 /nfs/dbraw/zinc/54/42/10/564544210.db2.gz BHNCJDHTAXGJLG-LLVKDONJSA-N 0 0 390.221 2.794 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000482899665 564552765 /nfs/dbraw/zinc/55/27/65/564552765.db2.gz MDGBPIRPNNBCFX-UHFFFAOYSA-N 0 0 382.452 2.786 20 5 GFBDRN Cc1cc(C(=O)Nc2ccncc2I)cc([N+](=O)[O-])c1 ZINC000483601858 564570934 /nfs/dbraw/zinc/57/09/34/564570934.db2.gz PCHHESQJFLARSV-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN COc1cc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1Cl ZINC000519828258 564592221 /nfs/dbraw/zinc/59/22/21/564592221.db2.gz MYCKGBZGGBNTCQ-UHFFFAOYSA-N 0 0 388.804 2.917 20 5 GFBDRN O=[N+]([O-])c1ccccc1CN(CC(F)(F)F)S(=O)(=O)c1cscn1 ZINC000572736386 564607992 /nfs/dbraw/zinc/60/79/92/564607992.db2.gz URFVFTOYFUJGLY-UHFFFAOYSA-N 0 0 381.357 2.805 20 5 GFBDRN COc1nc(C)c(Br)cc1-c1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000572762091 564609091 /nfs/dbraw/zinc/60/90/91/564609091.db2.gz CCLBBTVPQPNLDV-UHFFFAOYSA-N 0 0 395.173 2.520 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](CO)C1CCCCC1 ZINC000549915655 564609071 /nfs/dbraw/zinc/60/90/71/564609071.db2.gz URQSOWFVOWDZOJ-LBPRGKRZSA-N 0 0 376.862 2.715 20 5 GFBDRN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000572882835 564614353 /nfs/dbraw/zinc/61/43/53/564614353.db2.gz RAFOZGURHLMOSO-AWEZNQCLSA-N 0 0 376.356 2.962 20 5 GFBDRN CNC(=O)[C@@]1(C)CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000485426645 564615678 /nfs/dbraw/zinc/61/56/78/564615678.db2.gz QXNXGCIDJXIRRG-INIZCTEOSA-N 0 0 393.241 2.868 20 5 GFBDRN CO[C@H](c1noc(-c2cc([N+](=O)[O-])nn2C)n1)c1ccc(Br)cc1 ZINC000573246679 564630482 /nfs/dbraw/zinc/63/04/82/564630482.db2.gz XTQNCQPDBYUXPB-LBPRGKRZSA-N 0 0 394.185 2.877 20 5 GFBDRN O=C(CN1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302536 564631815 /nfs/dbraw/zinc/63/18/15/564631815.db2.gz ADFXVIDTXOCRSR-AWEZNQCLSA-N 0 0 398.257 2.675 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)[C@H]1CC(C)C ZINC000551312691 564646016 /nfs/dbraw/zinc/64/60/16/564646016.db2.gz WFYQBMFOIXFKOC-CQSZACIVSA-N 0 0 398.257 2.652 20 5 GFBDRN CN(c1ccc(-c2ccccc2)nn1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000551388789 564648331 /nfs/dbraw/zinc/64/83/31/564648331.db2.gz AFNKJPOAXXFMPE-UHFFFAOYSA-N 0 0 376.419 2.938 20 5 GFBDRN COC(=O)c1cncc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486321915 564648656 /nfs/dbraw/zinc/64/86/56/564648656.db2.gz YHDJHCZJTXPIDH-UHFFFAOYSA-N 0 0 386.183 2.853 20 5 GFBDRN C[C@@](NC(=O)c1sc(Br)cc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000486348850 564648988 /nfs/dbraw/zinc/64/89/88/564648988.db2.gz RNOXDFSFOPELJN-AWEZNQCLSA-N 0 0 398.238 2.549 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000457286084 564654203 /nfs/dbraw/zinc/65/42/03/564654203.db2.gz TXFVDPXBSJITHI-WCQYABFASA-N 0 0 396.241 2.549 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2nc(SC)ncc2Cl)cc([N+](=O)[O-])c1 ZINC000522923719 564659274 /nfs/dbraw/zinc/65/92/74/564659274.db2.gz DAJRKQNPAFTZFS-UHFFFAOYSA-N 0 0 382.785 2.799 20 5 GFBDRN CC1=C(C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000551758891 564662594 /nfs/dbraw/zinc/66/25/94/564662594.db2.gz IIYJYSKYUMNJJU-UHFFFAOYSA-N 0 0 382.214 2.865 20 5 GFBDRN CCCCCN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000551771472 564663514 /nfs/dbraw/zinc/66/35/14/564663514.db2.gz LUZFORIAHOBDGM-UHFFFAOYSA-N 0 0 386.246 2.783 20 5 GFBDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc(Br)c1OC ZINC000523335516 564665032 /nfs/dbraw/zinc/66/50/32/564665032.db2.gz FPPLVSJFGSXPJW-UHFFFAOYSA-N 0 0 398.213 2.643 20 5 GFBDRN CO[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1OC ZINC000487050031 564673783 /nfs/dbraw/zinc/67/37/83/564673783.db2.gz UDUNFKQUOPHFLD-OKILXGFUSA-N 0 0 382.214 2.756 20 5 GFBDRN CSc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000523844070 564673976 /nfs/dbraw/zinc/67/39/76/564673976.db2.gz RRZRFKBLBPJERT-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN O=C(NCCc1ccccc1[N+](=O)[O-])c1cn2ccc(Br)cc2n1 ZINC000552254576 564683302 /nfs/dbraw/zinc/68/33/02/564683302.db2.gz LFUYIYCGWKJFSP-UHFFFAOYSA-N 0 0 389.209 2.978 20 5 GFBDRN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1Br ZINC000576211446 564707386 /nfs/dbraw/zinc/70/73/86/564707386.db2.gz PNFMYBJIACELDF-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN C[C@@H]1CSC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000553089542 564709796 /nfs/dbraw/zinc/70/97/96/564709796.db2.gz NCMPAAZUGITJNC-HQJQHLMTSA-N 0 0 392.218 2.681 20 5 GFBDRN COC(=O)c1cn([C@@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000553491865 564723308 /nfs/dbraw/zinc/72/33/08/564723308.db2.gz BAWQSVVNSCSHLE-SECBINFHSA-N 0 0 386.195 2.731 20 5 GFBDRN Cc1ccc(S(=O)(=O)Nc2ccnc(C)c2Br)cc1[N+](=O)[O-] ZINC000527112333 564730439 /nfs/dbraw/zinc/73/04/39/564730439.db2.gz NVAPTKOVRFGXSL-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=C(NCC1(c2ccccc2Br)CCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000553665188 564731121 /nfs/dbraw/zinc/73/11/21/564731121.db2.gz OIIGJTYWFYREOC-UHFFFAOYSA-N 0 0 379.214 2.932 20 5 GFBDRN NC(=O)c1ccnc(N2CCc3c(Br)ccc(F)c3C2)c1[N+](=O)[O-] ZINC000577314135 564733892 /nfs/dbraw/zinc/73/38/92/564733892.db2.gz OBWRQUAVGPSOHI-UHFFFAOYSA-N 0 0 395.188 2.553 20 5 GFBDRN Cc1c(F)cccc1NC(=O)CCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000489668772 564748424 /nfs/dbraw/zinc/74/84/24/564748424.db2.gz RCBROKRKGNHYMV-UHFFFAOYSA-N 0 0 398.188 2.995 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1(CO)CCSCC1 ZINC000459540149 564748967 /nfs/dbraw/zinc/74/89/67/564748967.db2.gz URODBGMMLPDCHX-UHFFFAOYSA-N 0 0 379.360 2.993 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000554148253 564752123 /nfs/dbraw/zinc/75/21/23/564752123.db2.gz AOHCJXUFTCVIDI-HNNXBMFYSA-N 0 0 397.200 2.889 20 5 GFBDRN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1 ZINC000580595864 564765820 /nfs/dbraw/zinc/76/58/20/564765820.db2.gz AXMLYAXHWRMWBE-UHFFFAOYSA-N 0 0 388.854 2.904 20 5 GFBDRN Cc1ccoc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000490334993 564768174 /nfs/dbraw/zinc/76/81/74/564768174.db2.gz IYYIYIFOWXBPOM-UHFFFAOYSA-N 0 0 375.200 2.737 20 5 GFBDRN CC(C)c1nnc(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000490441460 564771444 /nfs/dbraw/zinc/77/14/44/564771444.db2.gz XYUSKLDSBBCMGO-UHFFFAOYSA-N 0 0 390.874 2.744 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCCc3sc(Cl)cc32)c([N+](=O)[O-])n1 ZINC000490459110 564772310 /nfs/dbraw/zinc/77/23/10/564772310.db2.gz SVWABJGEYWABGZ-SECBINFHSA-N 0 0 390.874 2.882 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000580926749 564779513 /nfs/dbraw/zinc/77/95/13/564779513.db2.gz JZERGWRGNGPXEH-LBPRGKRZSA-N 0 0 393.241 2.705 20 5 GFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)c1csc(-c2ccccc2Cl)n1 ZINC000491034489 564785435 /nfs/dbraw/zinc/78/54/35/564785435.db2.gz KGRRJKLBUSFVAG-UHFFFAOYSA-N 0 0 377.813 2.998 20 5 GFBDRN Nc1c(C(=O)N2CCOc3ccc(Br)cc3C2)cccc1[N+](=O)[O-] ZINC000555202922 564785483 /nfs/dbraw/zinc/78/54/83/564785483.db2.gz QXOBCHXJAWTICH-UHFFFAOYSA-N 0 0 392.209 2.974 20 5 GFBDRN C[S@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000581095222 564788053 /nfs/dbraw/zinc/78/80/53/564788053.db2.gz UKUDKTJRKIUDTI-QHCPKHFHSA-N 0 0 388.854 2.928 20 5 GFBDRN CCN(CCOc1ccc(Br)cc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000461187911 564790486 /nfs/dbraw/zinc/79/04/86/564790486.db2.gz CBSSMATVZXTONW-UHFFFAOYSA-N 0 0 397.229 2.930 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000491584717 564793757 /nfs/dbraw/zinc/79/37/57/564793757.db2.gz WTKAORGUOOHSKG-LBPRGKRZSA-N 0 0 384.410 2.868 20 5 GFBDRN CCN(CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491594493 564793813 /nfs/dbraw/zinc/79/38/13/564793813.db2.gz QPGXKPKHJSQLBQ-UHFFFAOYSA-N 0 0 389.421 2.746 20 5 GFBDRN COCC1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000556645092 564832972 /nfs/dbraw/zinc/83/29/72/564832972.db2.gz LMBBCNKKXBPJAJ-UHFFFAOYSA-N 0 0 388.218 2.674 20 5 GFBDRN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462404231 564836926 /nfs/dbraw/zinc/83/69/26/564836926.db2.gz VHDZQOKIYVCVLT-SECBINFHSA-N 0 0 386.861 2.508 20 5 GFBDRN CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000494763690 564839257 /nfs/dbraw/zinc/83/92/57/564839257.db2.gz VVAQQOXXIMIAAA-SNVBAGLBSA-N 0 0 390.845 2.601 20 5 GFBDRN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1CCCS(=O)(=O)C1 ZINC000556783075 564839906 /nfs/dbraw/zinc/83/99/06/564839906.db2.gz COQMQILRCAQOQH-SNVBAGLBSA-N 0 0 378.244 2.869 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462441964 564840193 /nfs/dbraw/zinc/84/01/93/564840193.db2.gz QHGNLZXVIGUWSQ-SECBINFHSA-N 0 0 394.280 2.664 20 5 GFBDRN CSC[C@@H](CCO)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495225192 564851726 /nfs/dbraw/zinc/85/17/26/564851726.db2.gz OLWZAPKSFGQBNN-LLVKDONJSA-N 0 0 381.376 2.527 20 5 GFBDRN COc1ccc2[nH]nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])c2c1 ZINC000495728362 564856908 /nfs/dbraw/zinc/85/69/08/564856908.db2.gz MVRTUYFKLAHTFS-UHFFFAOYSA-N 0 0 391.181 2.916 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000557917338 564884257 /nfs/dbraw/zinc/88/42/57/564884257.db2.gz LFSKACMDJDOHOT-CQSZACIVSA-N 0 0 390.193 2.503 20 5 GFBDRN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617362 564888880 /nfs/dbraw/zinc/88/88/80/564888880.db2.gz ZDLXRPNGJVRXPQ-GFCCVEGCSA-N 0 0 389.886 2.891 20 5 GFBDRN O=C(c1ncsc1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000584122403 564921816 /nfs/dbraw/zinc/92/18/16/564921816.db2.gz QDDIXPCKJPJCJQ-MRVPVSSYSA-N 0 0 398.242 2.535 20 5 GFBDRN O=C(NCC1CCSCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000499345123 564924667 /nfs/dbraw/zinc/92/46/67/564924667.db2.gz SXLGOXWWUYMIHT-GFCCVEGCSA-N 0 0 383.495 2.520 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000532392444 564936373 /nfs/dbraw/zinc/93/63/73/564936373.db2.gz NYJXREAKNZATIA-JTQLQIEISA-N 0 0 380.198 2.950 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(F)c(Br)cc1Cl ZINC000466456068 564941094 /nfs/dbraw/zinc/94/10/94/564941094.db2.gz OUXPRQNEQUVAMN-UHFFFAOYSA-N 0 0 377.557 2.985 20 5 GFBDRN Cc1noc2ncc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000466523165 564942774 /nfs/dbraw/zinc/94/27/74/564942774.db2.gz UHUUTMVIPNQFTC-UHFFFAOYSA-N 0 0 382.785 2.571 20 5 GFBDRN O=C(NC[C@@H](O)COc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532756375 564943934 /nfs/dbraw/zinc/94/39/34/564943934.db2.gz JDLYZYKTFXJQHK-CQSZACIVSA-N 0 0 395.209 2.527 20 5 GFBDRN C[C@H](CSc1nc2cc3ccccc3cc2c(=O)n1C)CS(C)(=O)=O ZINC000466746463 564946622 /nfs/dbraw/zinc/94/66/22/564946622.db2.gz TVFPWYFSJIJYRW-GFCCVEGCSA-N 0 0 376.503 2.860 20 5 GFBDRN COCCOc1cccc(CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000500263319 564949934 /nfs/dbraw/zinc/94/99/34/564949934.db2.gz SGNTYBDPZFPAHB-UHFFFAOYSA-N 0 0 382.214 2.812 20 5 GFBDRN CC(C)(C(=O)N1CCc2ccc(Br)cc2C1)n1cc([N+](=O)[O-])cn1 ZINC000560137189 564951565 /nfs/dbraw/zinc/95/15/65/564951565.db2.gz RPRWOGFHSRGDKD-UHFFFAOYSA-N 0 0 393.241 2.874 20 5 GFBDRN COc1ccc(O[C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467065183 564954295 /nfs/dbraw/zinc/95/42/95/564954295.db2.gz XWXAPMRNWIIFKD-SNVBAGLBSA-N 0 0 386.451 2.719 20 5 GFBDRN C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000533551690 564966045 /nfs/dbraw/zinc/96/60/45/564966045.db2.gz DDGHIVGKWXIOMP-LBPRGKRZSA-N 0 0 384.841 2.820 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000560531520 564966499 /nfs/dbraw/zinc/96/64/99/564966499.db2.gz ATBHZTYUOVUGOG-UHFFFAOYSA-N 0 0 380.198 2.739 20 5 GFBDRN COC(=O)C[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501085667 564970194 /nfs/dbraw/zinc/97/01/94/564970194.db2.gz SVNPLESXFGCDBF-NSHDSACASA-N 0 0 386.202 2.917 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501096030 564970832 /nfs/dbraw/zinc/97/08/32/564970832.db2.gz SIRLLWZJFYCDRL-RKDXNWHRSA-N 0 0 387.234 2.782 20 5 GFBDRN CC(=O)N1CC[C@H](CN(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501103106 564970862 /nfs/dbraw/zinc/97/08/62/564970862.db2.gz AQWLBQYLMMOWRN-LLVKDONJSA-N 0 0 399.245 2.689 20 5 GFBDRN C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000501124505 564971389 /nfs/dbraw/zinc/97/13/89/564971389.db2.gz JCMZIDZBWICPLO-MRVPVSSYSA-N 0 0 387.234 2.782 20 5 GFBDRN O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000501672242 564984341 /nfs/dbraw/zinc/98/43/41/564984341.db2.gz PNRBDKGJLSIODG-GFCCVEGCSA-N 0 0 397.200 2.830 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000561228927 564988660 /nfs/dbraw/zinc/98/86/60/564988660.db2.gz GLTRWHXWBVRKLE-LBPRGKRZSA-N 0 0 387.223 2.972 20 5 GFBDRN Cc1n[nH]c(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000561600090 565003744 /nfs/dbraw/zinc/00/37/44/565003744.db2.gz ASBDQPJHSMEQJU-UHFFFAOYSA-N 0 0 386.195 2.692 20 5 GFBDRN C[C@@H](OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1nccn1C ZINC000561638815 565004899 /nfs/dbraw/zinc/00/48/99/565004899.db2.gz AXRUGCNSGFHLBP-SECBINFHSA-N 0 0 383.202 2.807 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000535143360 565005526 /nfs/dbraw/zinc/00/55/26/565005526.db2.gz RTTDXHIBECYTKW-MCFWBGNESA-N 0 0 382.463 2.680 20 5 GFBDRN NS(=O)(=O)c1ccccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561696764 565005693 /nfs/dbraw/zinc/00/56/93/565005693.db2.gz GEAMDCOBHOHLRN-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN Cc1nc(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000561692549 565005911 /nfs/dbraw/zinc/00/59/11/565005911.db2.gz HHIBOHSGWMLEFL-GFCCVEGCSA-N 0 0 382.467 2.625 20 5 GFBDRN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561776253 565008744 /nfs/dbraw/zinc/00/87/44/565008744.db2.gz OVNFCJADZHZYMJ-AWEZNQCLSA-N 0 0 383.173 2.960 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)s1 ZINC000469198879 565009207 /nfs/dbraw/zinc/00/92/07/565009207.db2.gz CLXYZAOUQKZTKK-UHFFFAOYSA-N 0 0 390.826 2.575 20 5 GFBDRN CN(C(=O)COc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])nc1 ZINC000561793212 565009693 /nfs/dbraw/zinc/00/96/93/565009693.db2.gz XQBFKHCRYNJXAV-UHFFFAOYSA-N 0 0 384.161 2.933 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2nc3cc(C)ccc3n2C)cc1[N+](=O)[O-] ZINC000469391929 565016562 /nfs/dbraw/zinc/01/65/62/565016562.db2.gz XBAHAZLFXBTOEG-UHFFFAOYSA-N 0 0 380.451 2.638 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cc2c(c(Cl)c1)OCO2 ZINC000535761816 565020651 /nfs/dbraw/zinc/02/06/51/565020651.db2.gz GRZFECYGLTXFKN-UHFFFAOYSA-N 0 0 387.573 2.949 20 5 GFBDRN C[C@H](C(=O)Nc1ccncc1I)c1cccc([N+](=O)[O-])c1 ZINC000562401878 565028362 /nfs/dbraw/zinc/02/83/62/565028362.db2.gz BCUKKQYUBUZYTP-VIFPVBQESA-N 0 0 397.172 2.759 20 5 GFBDRN COCCCS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000504183256 565036518 /nfs/dbraw/zinc/03/65/18/565036518.db2.gz JORQCFXAUJIMCU-UHFFFAOYSA-N 0 0 384.435 2.719 20 5 GFBDRN O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2cc(Br)c(F)cc12 ZINC000504483347 565040547 /nfs/dbraw/zinc/04/05/47/565040547.db2.gz XCLXMLJLYNCGNK-UHFFFAOYSA-N 0 0 379.145 2.719 20 5 GFBDRN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1cnccn1 ZINC000585732557 565107518 /nfs/dbraw/zinc/10/75/18/565107518.db2.gz YKBCMMBTZMIVBF-UHFFFAOYSA-N 0 0 389.165 2.957 20 5 GFBDRN O=C(NCCOC[C@@H]1CCOC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585808182 565112338 /nfs/dbraw/zinc/11/23/38/565112338.db2.gz UKANGLKODTXACF-SNVBAGLBSA-N 0 0 388.218 2.532 20 5 GFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000586772655 565116190 /nfs/dbraw/zinc/11/61/90/565116190.db2.gz UIAALWJFBPXHGK-HQJQHLMTSA-N 0 0 388.751 2.589 20 5 GFBDRN CC1(O)CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589255226 565157146 /nfs/dbraw/zinc/15/71/46/565157146.db2.gz VGRKWUBRCPAORV-UHFFFAOYSA-N 0 0 376.194 2.546 20 5 GFBDRN O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590435743 565187943 /nfs/dbraw/zinc/18/79/43/565187943.db2.gz ZSQJKXSYHGBXQK-UFBFGSQYSA-N 0 0 397.147 2.933 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588172 565193097 /nfs/dbraw/zinc/19/30/97/565193097.db2.gz FQVFIXYFERFYLD-AWEZNQCLSA-N 0 0 387.458 2.685 20 5 GFBDRN Cc1csc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000591324250 565224208 /nfs/dbraw/zinc/22/42/08/565224208.db2.gz OTYHTBLSHMXVSH-UHFFFAOYSA-N 0 0 395.384 2.900 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000591786334 565239802 /nfs/dbraw/zinc/23/98/02/565239802.db2.gz UJEZOSNRIYRICN-WKEGUHRASA-N 0 0 385.136 2.707 20 5 GFBDRN CCOC(=O)Cc1ccc(NCc2nn(C)cc2Br)c([N+](=O)[O-])c1 ZINC000591946179 565245001 /nfs/dbraw/zinc/24/50/01/565245001.db2.gz GZJMXXDJPCLJNJ-UHFFFAOYSA-N 0 0 397.229 2.809 20 5 GFBDRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1nccs1 ZINC000618622363 565307482 /nfs/dbraw/zinc/30/74/82/565307482.db2.gz FYLYVLLQDUBEIM-UHFFFAOYSA-N 0 0 396.431 2.593 20 5 GFBDRN CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572869 565344308 /nfs/dbraw/zinc/34/43/08/565344308.db2.gz MTMDHDZRLYBISV-ZUZCIYMTSA-N 0 0 385.829 2.698 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCc1nccs1)C(C)C ZINC000619493530 565344630 /nfs/dbraw/zinc/34/46/30/565344630.db2.gz ORTWVMJHKUQIJY-UHFFFAOYSA-N 0 0 385.467 2.702 20 5 GFBDRN CCN([C@@H]1CCCOC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593636015 565350414 /nfs/dbraw/zinc/35/04/14/565350414.db2.gz JACMUZDBDDIZOR-LLVKDONJSA-N 0 0 393.259 2.547 20 5 GFBDRN O=[N+]([O-])c1sccc1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000619746176 565357587 /nfs/dbraw/zinc/35/75/87/565357587.db2.gz WVCNMXHAIKLHQQ-UHFFFAOYSA-N 0 0 379.822 2.839 20 5 GFBDRN C[C@@H](CCO)N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000593879364 565364934 /nfs/dbraw/zinc/36/49/34/565364934.db2.gz GQPYWQHWCKCBFY-VIFPVBQESA-N 0 0 387.223 2.930 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486809 565395800 /nfs/dbraw/zinc/39/58/00/565395800.db2.gz IYASIUNNGKHVEV-AAEUAGOBSA-N 0 0 382.360 2.682 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486810 565396105 /nfs/dbraw/zinc/39/61/05/565396105.db2.gz IYASIUNNGKHVEV-DGCLKSJQSA-N 0 0 382.360 2.682 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)NCCC2(CSC)CC2)cc1[N+](=O)[O-] ZINC000594816007 565424949 /nfs/dbraw/zinc/42/49/49/565424949.db2.gz NXTCMNGGRQYHFC-UHFFFAOYSA-N 0 0 378.447 2.554 20 5 GFBDRN C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957718 565438376 /nfs/dbraw/zinc/43/83/76/565438376.db2.gz ULFCNGGMAWERMJ-PRHODGIISA-N 0 0 399.192 2.587 20 5 GFBDRN Cc1c(NC(=O)C(=O)NCC2=CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000595205258 565454930 /nfs/dbraw/zinc/45/49/30/565454930.db2.gz XZVIDYGAJAPFMY-UHFFFAOYSA-N 0 0 382.214 2.831 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000595415207 565476018 /nfs/dbraw/zinc/47/60/18/565476018.db2.gz KLVONCCBPHIQLS-RMLUDKJBSA-N 0 0 398.815 2.990 20 5 GFBDRN O=[N+]([O-])c1ccn(CCN2CCOC[C@@H]2c2ccc(Br)cc2)n1 ZINC000595748683 565489534 /nfs/dbraw/zinc/48/95/34/565489534.db2.gz JTTXYWOLSYLILJ-CQSZACIVSA-N 0 0 381.230 2.627 20 5 GFBDRN Cc1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])s1 ZINC000596065583 565512275 /nfs/dbraw/zinc/51/22/75/565512275.db2.gz SVIMXGOYUCYEGX-UHFFFAOYSA-N 0 0 387.508 2.974 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(Cn2cc3c(n2)CCOC3)c1 ZINC000596286824 565517917 /nfs/dbraw/zinc/51/79/17/565517917.db2.gz WNMIHRJDYPLYTR-UHFFFAOYSA-N 0 0 385.161 2.517 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ncns2)CC1 ZINC000597723784 565573237 /nfs/dbraw/zinc/57/32/37/565573237.db2.gz ZYBZIAUXVQEWOB-UHFFFAOYSA-N 0 0 379.467 2.521 20 5 GFBDRN Cc1ccncc1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597978224 565586138 /nfs/dbraw/zinc/58/61/38/565586138.db2.gz QBTAFEJRMSUKTK-UHFFFAOYSA-N 0 0 378.226 2.962 20 5 GFBDRN C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1CCO ZINC000598066943 565592788 /nfs/dbraw/zinc/59/27/88/565592788.db2.gz HGGCEEPLPHDPON-ABAIWWIYSA-N 0 0 385.258 2.909 20 5 GFBDRN C[C@]1(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(F)F ZINC000598218349 565602713 /nfs/dbraw/zinc/60/27/13/565602713.db2.gz IIKMBAULVLURTA-AWEZNQCLSA-N 0 0 375.759 2.530 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000598227107 565603903 /nfs/dbraw/zinc/60/39/03/565603903.db2.gz BNADUZDOCVDYST-GFCCVEGCSA-N 0 0 395.213 2.603 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(O)(C1CC1)C1CC1 ZINC000598287976 565607420 /nfs/dbraw/zinc/60/74/20/565607420.db2.gz BAYGYRDOWCEUKP-UHFFFAOYSA-N 0 0 383.242 2.567 20 5 GFBDRN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598428051 565617211 /nfs/dbraw/zinc/61/72/11/565617211.db2.gz LCKYGXLZTRZGDM-ZDUSSCGKSA-N 0 0 381.230 2.691 20 5 GFBDRN CCOC(=O)C12CC(C1)CN2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000598445583 565619329 /nfs/dbraw/zinc/61/93/29/565619329.db2.gz XRZJFBQVIPCGOG-UHFFFAOYSA-N 0 0 397.225 2.833 20 5 GFBDRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)s1 ZINC000598560013 565626833 /nfs/dbraw/zinc/62/68/33/565626833.db2.gz NDMAMCHYEBJHPT-SECBINFHSA-N 0 0 381.435 2.919 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c(C)c1[N+](=O)[O-] ZINC000598604896 565628551 /nfs/dbraw/zinc/62/85/51/565628551.db2.gz BQNXDVYODVTYCA-CJNGLKHVSA-N 0 0 386.495 2.545 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598609613 565628821 /nfs/dbraw/zinc/62/88/21/565628821.db2.gz BKDHMCMJENBUSC-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000598621632 565630657 /nfs/dbraw/zinc/63/06/57/565630657.db2.gz JKHGDUHUNHJGGT-SSDOTTSWSA-N 0 0 385.186 2.681 20 5 GFBDRN O=[N+]([O-])c1cc2c(ncnc2NC[C@H](CO)Cc2ccncc2Cl)s1 ZINC000599098880 565657261 /nfs/dbraw/zinc/65/72/61/565657261.db2.gz ABOHQYJIIBNOLP-SECBINFHSA-N 0 0 379.829 2.911 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000599122798 565657808 /nfs/dbraw/zinc/65/78/08/565657808.db2.gz FMFNLEBBIFBICR-APHBMKBZSA-N 0 0 379.825 2.646 20 5 GFBDRN CCC(CC)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599226874 565662029 /nfs/dbraw/zinc/66/20/29/565662029.db2.gz LSNKYGCRHIXECY-UHFFFAOYSA-N 0 0 386.861 2.976 20 5 GFBDRN CCO[C@H](CS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000599273699 565665484 /nfs/dbraw/zinc/66/54/84/565665484.db2.gz HBLWIZYUPONGGJ-OAHLLOKOSA-N 0 0 376.862 2.525 20 5 GFBDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599461921 565681223 /nfs/dbraw/zinc/68/12/23/565681223.db2.gz XNQYRDKHUCPASB-VXFNFUGZSA-N 0 0 382.360 2.704 20 5 GFBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599459856 565681314 /nfs/dbraw/zinc/68/13/14/565681314.db2.gz OSFCVMVARBZASZ-NMSKTSORSA-N 0 0 382.360 2.704 20 5 GFBDRN CCOCc1nc([C@H](C)NC(=O)c2c(Br)cccc2[N+](=O)[O-])no1 ZINC000599950200 565708163 /nfs/dbraw/zinc/70/81/63/565708163.db2.gz MAYVOVVBZZMLHF-QMMMGPOBSA-N 0 0 399.201 2.768 20 5 GFBDRN COC(=O)[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000600081681 565713259 /nfs/dbraw/zinc/71/32/59/565713259.db2.gz QMSFQLVPQAXLOC-WDEREUQCSA-N 0 0 397.225 2.629 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000600487299 565732899 /nfs/dbraw/zinc/73/28/99/565732899.db2.gz NIDZVDTXUOCKKU-CYBMUJFWSA-N 0 0 393.197 2.830 20 5 GFBDRN CS(=O)(=O)CC1(CSCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000600570966 565737211 /nfs/dbraw/zinc/73/72/11/565737211.db2.gz SXVYZGJVXULVHN-UHFFFAOYSA-N 0 0 389.495 2.548 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000600749910 565748474 /nfs/dbraw/zinc/74/84/74/565748474.db2.gz ZQRGJGVPDWVHOV-CYBMUJFWSA-N 0 0 387.223 2.646 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C)NCc3ccc(F)cc32)c([N+](=O)[O-])s1 ZINC000601342206 565777315 /nfs/dbraw/zinc/77/73/15/565777315.db2.gz TYVZVANOQQUURT-SECBINFHSA-N 0 0 385.442 2.791 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCOC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC000601432254 565784295 /nfs/dbraw/zinc/78/42/95/565784295.db2.gz WZXYUTIGYBTBPK-ZDUSSCGKSA-N 0 0 386.426 2.866 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CC[C@](O)(C(F)(F)F)C2)cc1Br ZINC000602471265 565849841 /nfs/dbraw/zinc/84/98/41/565849841.db2.gz LDQQFGSJMXZBEB-SECBINFHSA-N 0 0 375.166 2.918 20 5 GFBDRN COCCn1cc(CNCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602650722 565859705 /nfs/dbraw/zinc/85/97/05/565859705.db2.gz GPBVIJFIZMPGRB-UHFFFAOYSA-N 0 0 375.248 2.552 20 5 GFBDRN Cn1cc(CN2CCOC[C@H]2c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602897154 565874605 /nfs/dbraw/zinc/87/46/05/565874605.db2.gz SBDFRABLVSECQX-AWEZNQCLSA-N 0 0 381.230 2.664 20 5 GFBDRN C[C@H]1CSCCN(c2nc(N3CCSC[C@@H](C)C3)ncc2[N+](=O)[O-])C1 ZINC000603356799 565900294 /nfs/dbraw/zinc/90/02/94/565900294.db2.gz CLTKIUXKLLNBEA-OLZOCXBDSA-N 0 0 383.543 2.763 20 5 GFBDRN CC(C)(C(=O)NCc1cc(F)ccc1Br)n1cc([N+](=O)[O-])cn1 ZINC000608805160 566024245 /nfs/dbraw/zinc/02/42/45/566024245.db2.gz XYALMVJTDBUKJB-UHFFFAOYSA-N 0 0 385.193 2.744 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608809422 566024691 /nfs/dbraw/zinc/02/46/91/566024691.db2.gz HQZWJYYZRWBKGO-ZIAGYGMSSA-N 0 0 393.241 2.925 20 5 GFBDRN CC(C)COCCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609030624 566028769 /nfs/dbraw/zinc/02/87/69/566028769.db2.gz ZMIKHEMSNQFQPN-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCn1cc(Br)cn1 ZINC000609140998 566031247 /nfs/dbraw/zinc/03/12/47/566031247.db2.gz SWFZJURHTNDCOB-JTQLQIEISA-N 0 0 379.214 2.922 20 5 GFBDRN CCCc1n[nH]c(C(=O)NCc2cc(OC)ccc2Br)c1[N+](=O)[O-] ZINC000609476677 566040371 /nfs/dbraw/zinc/04/03/71/566040371.db2.gz PNTCKJWMTCOUCE-UHFFFAOYSA-N 0 0 397.229 2.972 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)c(Cl)c1 ZINC000609598208 566046154 /nfs/dbraw/zinc/04/61/54/566046154.db2.gz SNKLRZPKJNJIBZ-HNNXBMFYSA-N 0 0 382.825 2.841 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCOC[C@@H]1C(F)(F)F ZINC000610047444 566062460 /nfs/dbraw/zinc/06/24/60/566062460.db2.gz FZKBCJBWSKDRLU-SNVBAGLBSA-N 0 0 383.120 2.761 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC(Oc2ccncc2)C1 ZINC000610063108 566063830 /nfs/dbraw/zinc/06/38/30/566063830.db2.gz BSSSNNGBDLSVJL-UHFFFAOYSA-N 0 0 378.182 2.656 20 5 GFBDRN C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)(C)O ZINC000610430318 566080992 /nfs/dbraw/zinc/08/09/92/566080992.db2.gz NCCLNYFVZSPACS-QMMMGPOBSA-N 0 0 387.223 2.977 20 5 GFBDRN C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C(C)(C)O ZINC000610430317 566080995 /nfs/dbraw/zinc/08/09/95/566080995.db2.gz NCCLNYFVZSPACS-MRVPVSSYSA-N 0 0 387.223 2.977 20 5 GFBDRN CC(C)Cc1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH][nH]1 ZINC000610673642 566092213 /nfs/dbraw/zinc/09/22/13/566092213.db2.gz CDKFMQHJOFNZDE-UHFFFAOYSA-N 0 0 381.230 2.882 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@H]2COc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000610711784 566093769 /nfs/dbraw/zinc/09/37/69/566093769.db2.gz HISGQSUKZTUQCC-LBPRGKRZSA-N 0 0 384.797 2.669 20 5 GFBDRN CO[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccccc1Cl ZINC000610785822 566099582 /nfs/dbraw/zinc/09/95/82/566099582.db2.gz PYNXHMVXFFSHEZ-CQSZACIVSA-N 0 0 385.829 2.695 20 5 GFBDRN CN(CCOC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610858933 566103120 /nfs/dbraw/zinc/10/31/20/566103120.db2.gz OPGUHTFXJXGDNC-UHFFFAOYSA-N 0 0 395.275 2.793 20 5 GFBDRN Cc1cccc(C)c1OC[C@H](O)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000611227269 566122195 /nfs/dbraw/zinc/12/21/95/566122195.db2.gz HHXJDQNUIUAVFI-GFCCVEGCSA-N 0 0 396.241 2.643 20 5 GFBDRN CCC1(O)CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000611314146 566126598 /nfs/dbraw/zinc/12/65/98/566126598.db2.gz IWBBMYZVGZXLMD-UHFFFAOYSA-N 0 0 376.862 2.919 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611542726 566135956 /nfs/dbraw/zinc/13/59/56/566135956.db2.gz YXFSWOGTZTWZHU-ZJUUUORDSA-N 0 0 382.360 2.955 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000613483805 566198692 /nfs/dbraw/zinc/19/86/92/566198692.db2.gz FTOSUCQQVPQEGI-SECBINFHSA-N 0 0 376.362 2.655 20 5 GFBDRN Cc1sc(S(=O)(=O)NC(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000613474311 566199118 /nfs/dbraw/zinc/19/91/18/566199118.db2.gz YLGMGUBDWKJIOB-UHFFFAOYSA-N 0 0 383.451 2.660 20 5 GFBDRN Cc1ccc(NCCCNc2nc3c(cc2-c2nn[nH]n2)CCC3)c([N+](=O)[O-])c1 ZINC000737361429 598856405 /nfs/dbraw/zinc/85/64/05/598856405.db2.gz HDMWBHSLAATZJU-UHFFFAOYSA-N 0 0 394.439 2.881 20 5 GFBDRN CC(C)(C)c1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000735651391 599170940 /nfs/dbraw/zinc/17/09/40/599170940.db2.gz TYTSABKDAVOHCH-HNNXBMFYSA-N 0 0 383.412 2.613 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737966861 599249727 /nfs/dbraw/zinc/24/97/27/599249727.db2.gz JJPSXYOQRRVKAQ-UHFFFAOYSA-N 0 0 376.735 2.749 20 5 GFBDRN Cc1cc(C)n(CCCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000737256864 599255250 /nfs/dbraw/zinc/25/52/50/599255250.db2.gz OMUSCRJBYUCKER-UHFFFAOYSA-N 0 0 393.411 2.639 20 5 GFBDRN CC[C@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920452 607302038 /nfs/dbraw/zinc/30/20/38/607302038.db2.gz PZPWXOSCBXZXTO-ZDUSSCGKSA-N 0 0 387.787 2.704 20 5 GFBDRN C[C@@H](Cc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820308114 607329173 /nfs/dbraw/zinc/32/91/73/607329173.db2.gz RGDYEMUCLRYGFW-VIFPVBQESA-N 0 0 382.409 2.823 20 5 GFBDRN C[C@H](Cc1nc2ccccc2s1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820307352 607329254 /nfs/dbraw/zinc/32/92/54/607329254.db2.gz LTCIBGJNSANMEA-SECBINFHSA-N 0 0 382.409 2.823 20 5 GFBDRN COc1cccc(N2CC[C@H](CNc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737137734 598354503 /nfs/dbraw/zinc/35/45/03/598354503.db2.gz DILDEPSBIOQNPL-CYBMUJFWSA-N 0 0 395.423 2.722 20 5 GFBDRN C[C@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000736155060 598484397 /nfs/dbraw/zinc/48/43/97/598484397.db2.gz GODXSNCJKWBJMP-JTQLQIEISA-N 0 0 387.327 2.597 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000737117480 598490195 /nfs/dbraw/zinc/49/01/95/598490195.db2.gz WOXOSYLWCVWFRM-UHFFFAOYSA-N 0 0 385.384 2.592 20 5 GFBDRN Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc([N+](=O)[O-])c1 ZINC000737236109 598545174 /nfs/dbraw/zinc/54/51/74/598545174.db2.gz AYGBGZZUGVTBMI-UHFFFAOYSA-N 0 0 390.306 2.937 20 5 GFBDRN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736504517 599313513 /nfs/dbraw/zinc/31/35/13/599313513.db2.gz FQZVCQDMJZPVTF-UHFFFAOYSA-N 0 0 381.396 2.630 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C3CCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644690 599523023 /nfs/dbraw/zinc/52/30/23/599523023.db2.gz KORGNZNYYRGRQG-MRXNPFEDSA-N 0 0 383.412 2.676 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821846578 599526403 /nfs/dbraw/zinc/52/64/03/599526403.db2.gz UVQXYKBGBRWXCX-UHFFFAOYSA-N 0 0 396.407 2.831 20 5 GFBDRN Cc1c(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cnn1-c1ccccc1F ZINC000822129564 607383761 /nfs/dbraw/zinc/38/37/61/607383761.db2.gz LNBCOLPQNRHVJR-UHFFFAOYSA-N 0 0 381.331 2.547 20 5 GFBDRN Cc1c(CC(=O)OCCCOc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236247 607390708 /nfs/dbraw/zinc/39/07/08/607390708.db2.gz DXVNWOQOSABXAQ-UHFFFAOYSA-N 0 0 397.391 2.638 20 5 GFBDRN COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000737974244 599860833 /nfs/dbraw/zinc/86/08/33/599860833.db2.gz UGQMBRSBYAEPGK-GOSISDBHSA-N 0 0 387.392 2.656 20 5 GFBDRN Cn1c(CCCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)nc2ccccc21 ZINC000826355428 607452194 /nfs/dbraw/zinc/45/21/94/607452194.db2.gz YZOJIDBZWVWJAE-UHFFFAOYSA-N 0 0 378.396 2.706 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823066128 607466599 /nfs/dbraw/zinc/46/65/99/607466599.db2.gz MTZDPRMBKLFEPO-UHFFFAOYSA-N 0 0 391.800 2.554 20 5 GFBDRN Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000595893964 601546798 /nfs/dbraw/zinc/54/67/98/601546798.db2.gz YKAJKYMCUIRAIT-LJQANCHMSA-N 0 0 383.404 2.916 20 5 GFBDRN O=[N+]([O-])c1ccccc1CN(CCOc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500198 607524481 /nfs/dbraw/zinc/52/44/81/607524481.db2.gz OCIQJZMOJFZRJE-UHFFFAOYSA-N 0 0 380.408 2.818 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](COCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826498292 607568088 /nfs/dbraw/zinc/56/80/88/607568088.db2.gz OPNVDOWKMNZPLS-OAHLLOKOSA-N 0 0 380.408 2.818 20 5 GFBDRN COc1ccc(COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000826205105 607595283 /nfs/dbraw/zinc/59/52/83/607595283.db2.gz KNRARPJAXQVBDX-WEVVVXLNSA-N 0 0 381.348 2.540 20 5 GFBDRN COc1ccc(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1-c1nn[nH]n1 ZINC000826205735 607598934 /nfs/dbraw/zinc/59/89/34/607598934.db2.gz JWSQRQBCBUOOKG-UHFFFAOYSA-N 0 0 394.347 2.622 20 5 GFBDRN Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c1-c1nn[nH]n1 ZINC000826304524 607599472 /nfs/dbraw/zinc/59/94/72/607599472.db2.gz OIYIKDILZQWDQD-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000831004745 603173988 /nfs/dbraw/zinc/17/39/88/603173988.db2.gz RXNOVNBHIWMACW-ZXFUBFMLSA-N 0 0 385.424 2.758 20 5 GFBDRN O=C([O-])/C=C\c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000833195260 604645873 /nfs/dbraw/zinc/64/58/73/604645873.db2.gz DRKXGCJFSPJANW-PXBVEXNNSA-N 0 0 389.452 2.872 20 5 GFBDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000833419969 604863987 /nfs/dbraw/zinc/86/39/87/604863987.db2.gz LLGGZNISWPCZLI-CQSZACIVSA-N 0 0 390.440 2.617 20 5 GFBDRN CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H]1C ZINC000833658038 605174399 /nfs/dbraw/zinc/17/43/99/605174399.db2.gz QEIAHGBTPRCPET-STQMWFEESA-N 0 0 395.481 2.716 20 5 GFBDRN CC(C)(C(=O)[O-])[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000833415458 605178445 /nfs/dbraw/zinc/17/84/45/605178445.db2.gz VYWSVBXWCSBAPW-IBGZPJMESA-N 0 0 397.431 2.926 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CCCOC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644678 606143196 /nfs/dbraw/zinc/14/31/96/606143196.db2.gz KFPQXKDTLOVGKS-LJQANCHMSA-N 0 0 395.423 2.720 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000822195599 606243741 /nfs/dbraw/zinc/24/37/41/606243741.db2.gz XVOMWQOLKWLUMN-OAHLLOKOSA-N 0 0 393.407 2.609 20 5 GFBDRN C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000820767926 606417556 /nfs/dbraw/zinc/41/75/56/606417556.db2.gz KEQNBVPOQRQUNJ-SYQHCUMBSA-N 0 0 385.472 2.959 20 5 GFBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821160004 606438354 /nfs/dbraw/zinc/43/83/54/606438354.db2.gz FXDXFQKJHNEETO-LLVKDONJSA-N 0 0 381.396 2.580 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822228807 606448564 /nfs/dbraw/zinc/44/85/64/606448564.db2.gz GBALGRHZKKBSPU-CHWSQXEVSA-N 0 0 396.407 2.728 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822229174 606449259 /nfs/dbraw/zinc/44/92/59/606449259.db2.gz OGRSWIFWNIPEAP-CYBMUJFWSA-N 0 0 380.408 2.893 20 5 GFBDRN O=C(OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1csc([N+](=O)[O-])c1 ZINC000823421603 606559983 /nfs/dbraw/zinc/55/99/83/606559983.db2.gz DRIIJSFVQANOCK-UHFFFAOYSA-N 0 0 397.319 2.795 20 5 GFBDRN Cc1cc(F)cc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2F)c1[N+](=O)[O-] ZINC000822203326 606561396 /nfs/dbraw/zinc/56/13/96/606561396.db2.gz OOJPSYQIJDVKPK-UHFFFAOYSA-N 0 0 375.291 2.719 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000822271223 606638633 /nfs/dbraw/zinc/63/86/33/606638633.db2.gz RLQLFAPGSOYMAB-GFCCVEGCSA-N 0 0 399.436 2.671 20 5 GFBDRN CC(C)(C)c1ccc(C(=O)OCc2ccnc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000819959033 606649518 /nfs/dbraw/zinc/64/95/18/606649518.db2.gz VRLJJCHRTYOVMT-UHFFFAOYSA-N 0 0 382.380 2.824 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1sccc1Br ZINC000823625158 606705992 /nfs/dbraw/zinc/70/59/92/606705992.db2.gz RKBHESIYWHYJDK-UHFFFAOYSA-N 0 0 382.203 2.606 20 5 GFBDRN Cc1ccc(-c2nc(CCNc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])co2)cc1 ZINC000822214135 606706889 /nfs/dbraw/zinc/70/68/89/606706889.db2.gz QPJGCRUIKOMEGV-UHFFFAOYSA-N 0 0 392.379 2.788 20 5 GFBDRN C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000820281596 606712721 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ZINC000840388942 661160009 /nfs/dbraw/zinc/16/00/09/661160009.db2.gz JMHCLXSXJPHIJK-VIFPVBQESA-N 0 0 375.244 2.700 20 5 GFBDRN NC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1 ZINC000729704318 655567525 /nfs/dbraw/zinc/56/75/25/655567525.db2.gz BHESOBSRFSLJNM-CYBMUJFWSA-N 0 0 397.156 2.880 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(Br)cc1F ZINC000732028670 655590686 /nfs/dbraw/zinc/59/06/86/655590686.db2.gz CUWHPPMZFFGGPB-UHFFFAOYSA-N 0 0 385.193 2.708 20 5 GFBDRN Cn1c(Cl)cnc1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732029726 655590855 /nfs/dbraw/zinc/59/08/55/655590855.db2.gz NSEGUAJWCDMPTJ-UHFFFAOYSA-N 0 0 380.760 2.590 20 5 GFBDRN CCOc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000733475774 655615807 /nfs/dbraw/zinc/61/58/07/655615807.db2.gz HIWAAAGKBSUYPT-UHFFFAOYSA-N 0 0 388.199 2.965 20 5 GFBDRN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000734890427 655636229 /nfs/dbraw/zinc/63/62/29/655636229.db2.gz LMABUMBWBBRFMT-ONGXEEELSA-N 0 0 380.706 2.749 20 5 GFBDRN Cc1cc(S(N)(=O)=O)sc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734894397 655636374 /nfs/dbraw/zinc/63/63/74/655636374.db2.gz BPEOEEJBIRCYDE-UHFFFAOYSA-N 0 0 390.826 2.623 20 5 GFBDRN CS(=O)(=O)Nc1cccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000735523784 655648457 /nfs/dbraw/zinc/64/84/57/655648457.db2.gz QWNKRBGOXRGWGX-UHFFFAOYSA-N 0 0 384.797 2.977 20 5 GFBDRN C[C@H](OCC(=O)OCc1cccc([N+](=O)[O-])c1Br)c1nccn1C ZINC000840572585 661171555 /nfs/dbraw/zinc/17/15/55/661171555.db2.gz KIARKBRBUCSVKK-JTQLQIEISA-N 0 0 398.213 2.912 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1ccc(-n2cncn2)cc1 ZINC000738385883 655690672 /nfs/dbraw/zinc/69/06/72/655690672.db2.gz XVPGFSDECVVXPO-UHFFFAOYSA-N 0 0 380.769 2.597 20 5 GFBDRN Cc1ccc(NCCCNS(=O)(=O)c2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000739979648 655695998 /nfs/dbraw/zinc/69/59/98/655695998.db2.gz IXIQYPDZVRQESG-UHFFFAOYSA-N 0 0 384.845 2.732 20 5 GFBDRN CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000742305081 655714797 /nfs/dbraw/zinc/71/47/97/655714797.db2.gz QSIQQIIMEXAMBZ-UHFFFAOYSA-N 0 0 384.435 2.906 20 5 GFBDRN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1cnn(-c2ccccc2)c1 ZINC000742450713 655718466 /nfs/dbraw/zinc/71/84/66/655718466.db2.gz IJXIRAQLDOIJCF-UHFFFAOYSA-N 0 0 390.197 2.931 20 5 GFBDRN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000746065305 655758204 /nfs/dbraw/zinc/75/82/04/655758204.db2.gz SRATXOXAKVVQJG-ONGXEEELSA-N 0 0 380.706 2.749 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Br)nc1 ZINC000746995815 655769376 /nfs/dbraw/zinc/76/93/76/655769376.db2.gz ANIMGAJVBIXMHG-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN Nc1ccc(Br)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000747093448 655771538 /nfs/dbraw/zinc/77/15/38/655771538.db2.gz LHKYQFFUGPUDQT-UHFFFAOYSA-N 0 0 394.181 2.735 20 5 GFBDRN CC(=O)N1CC[C@](C)(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000747123465 655772222 /nfs/dbraw/zinc/77/22/22/655772222.db2.gz YBPSJGGIDNRRNM-HNNXBMFYSA-N 0 0 385.214 2.659 20 5 GFBDRN Cc1ccc(O[C@H](C)C(=O)OCCn2ccc([N+](=O)[O-])n2)c(Br)c1 ZINC000748117385 655787662 /nfs/dbraw/zinc/78/76/62/655787662.db2.gz YQJNXTBJBKCBON-LLVKDONJSA-N 0 0 398.213 2.873 20 5 GFBDRN O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000748119303 655787668 /nfs/dbraw/zinc/78/76/68/655787668.db2.gz RLCYXFRRZZTIPG-QWHCGFSZSA-N 0 0 380.198 2.901 20 5 GFBDRN O=C(CCc1ccc(Br)cc1F)OCCn1ccc([N+](=O)[O-])n1 ZINC000748117994 655787732 /nfs/dbraw/zinc/78/77/32/655787732.db2.gz CXGQIVFVACMKGJ-UHFFFAOYSA-N 0 0 386.177 2.869 20 5 GFBDRN C[C@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000748498506 655791503 /nfs/dbraw/zinc/79/15/03/655791503.db2.gz WADGRIIFDDRYSM-JTQLQIEISA-N 0 0 381.182 2.823 20 5 GFBDRN O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749910819 655808844 /nfs/dbraw/zinc/80/88/44/655808844.db2.gz FWTROQHOJLUKAY-UHFFFAOYSA-N 0 0 382.829 2.789 20 5 GFBDRN COC(=O)c1sccc1S(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000751043495 655820822 /nfs/dbraw/zinc/82/08/22/655820822.db2.gz GRPUQOLVBQFGEQ-UHFFFAOYSA-N 0 0 377.783 2.864 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000751300749 655825003 /nfs/dbraw/zinc/82/50/03/655825003.db2.gz OEMZYNGHAKIALX-UHFFFAOYSA-N 0 0 376.862 2.920 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CCO)c1cccs1 ZINC000751439353 655827457 /nfs/dbraw/zinc/82/74/57/655827457.db2.gz ZWTDDHFSYPLLQG-SNVBAGLBSA-N 0 0 376.843 2.712 20 5 GFBDRN C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751439629 655827553 /nfs/dbraw/zinc/82/75/53/655827553.db2.gz GMWCTTKUKLVOSJ-LBPRGKRZSA-N 0 0 384.841 2.820 20 5 GFBDRN COC(=O)c1c(F)cccc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000751468167 655828722 /nfs/dbraw/zinc/82/87/22/655828722.db2.gz LZZUUXHHVOMXBJ-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(F)cccc1Cl ZINC000751475306 655829324 /nfs/dbraw/zinc/82/93/24/655829324.db2.gz MCGPKCKMFIHBBA-PSLIRLAXSA-N 0 0 388.804 2.788 20 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ZINC000752246857 655841372 /nfs/dbraw/zinc/84/13/72/655841372.db2.gz JJTRPEBRQDIXTD-SECBINFHSA-N 0 0 378.834 2.565 20 5 GFBDRN CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752251775 655841452 /nfs/dbraw/zinc/84/14/52/655841452.db2.gz AVSQVWCQVTWGGY-LBPRGKRZSA-N 0 0 390.845 2.567 20 5 GFBDRN CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000752386608 655842798 /nfs/dbraw/zinc/84/27/98/655842798.db2.gz VIAXIGNZAYAVJC-LBPRGKRZSA-N 0 0 385.214 2.819 20 5 GFBDRN C[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000752834142 655847167 /nfs/dbraw/zinc/84/71/67/655847167.db2.gz OWBKUGJFGUTKIU-VIFPVBQESA-N 0 0 393.259 2.545 20 5 GFBDRN CC(=O)OC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000753835518 655859840 /nfs/dbraw/zinc/85/98/40/655859840.db2.gz MSKVAZQNESDISI-UHFFFAOYSA-N 0 0 397.236 2.618 20 5 GFBDRN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013949 655878494 /nfs/dbraw/zinc/87/84/94/655878494.db2.gz SVTTTZFZUYPDCX-ZDUSSCGKSA-N 0 0 388.237 2.909 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCOc2ccncc21 ZINC000755014787 655878498 /nfs/dbraw/zinc/87/84/98/655878498.db2.gz DGOFZNJWSKCZMI-UHFFFAOYSA-N 0 0 382.145 2.931 20 5 GFBDRN COC(=O)CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000755017755 655878636 /nfs/dbraw/zinc/87/86/36/655878636.db2.gz QIINPWBFHQALNU-UHFFFAOYSA-N 0 0 389.177 2.712 20 5 GFBDRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000755288225 655882001 /nfs/dbraw/zinc/88/20/01/655882001.db2.gz QTFFDWCDJUDHSP-JTQLQIEISA-N 0 0 384.435 2.930 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)Cc2ccccc2Br)n1 ZINC000755565487 655885687 /nfs/dbraw/zinc/88/56/87/655885687.db2.gz XXQZXTBYKYVSCD-UHFFFAOYSA-N 0 0 396.197 2.542 20 5 GFBDRN CSc1ccncc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757271747 655910373 /nfs/dbraw/zinc/91/03/73/655910373.db2.gz MIAAGNBZKYXOGM-UHFFFAOYSA-N 0 0 380.813 2.620 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000758336149 655929640 /nfs/dbraw/zinc/92/96/40/655929640.db2.gz RRNLQMNIBASSII-UHFFFAOYSA-N 0 0 395.188 2.672 20 5 GFBDRN CCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)OC ZINC000760615667 655988095 /nfs/dbraw/zinc/98/80/95/655988095.db2.gz KOQNOINRYYXJGK-NSHDSACASA-N 0 0 378.834 2.567 20 5 GFBDRN CC(=O)NCc1ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000760616505 655988239 /nfs/dbraw/zinc/98/82/39/655988239.db2.gz LVJHDZIGIFFLNQ-UHFFFAOYSA-N 0 0 390.826 2.714 20 5 GFBDRN O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000760731138 655990678 /nfs/dbraw/zinc/99/06/78/655990678.db2.gz LUOUVMDHNYVMOP-CYBMUJFWSA-N 0 0 386.191 2.856 20 5 GFBDRN CCOC(=O)CC1(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000840912647 661205901 /nfs/dbraw/zinc/20/59/01/661205901.db2.gz LXLVMYGMNIDBAD-UHFFFAOYSA-N 0 0 376.818 2.784 20 5 GFBDRN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cn1 ZINC000761850201 656022902 /nfs/dbraw/zinc/02/29/02/656022902.db2.gz 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2.989 20 5 GFBDRN CC(C)OC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000376980066 563459878 /nfs/dbraw/zinc/45/98/78/563459878.db2.gz BZRAPMQCONLDNA-NSHDSACASA-N 0 0 387.230 2.623 20 5 GFBDRN CN([C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000377132790 563464210 /nfs/dbraw/zinc/46/42/10/563464210.db2.gz KBXGIOKPKFZTBY-FZZIBODNSA-N 0 0 392.836 2.821 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@]2(CCCOC2)O1 ZINC000377232004 563468086 /nfs/dbraw/zinc/46/80/86/563468086.db2.gz LYZXVJPYXUCYRR-BZNIZROVSA-N 0 0 399.241 2.767 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000427710286 563472321 /nfs/dbraw/zinc/47/23/21/563472321.db2.gz NUGOVBJNTUOFDA-CQSZACIVSA-N 0 0 395.209 2.829 20 5 GFBDRN Cc1nn(CCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(C)c1[N+](=O)[O-] ZINC000284491044 563477338 /nfs/dbraw/zinc/47/73/38/563477338.db2.gz MZYKRBYGRUGMEW-RISCZKNCSA-N 0 0 375.256 2.841 20 5 GFBDRN 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382.467 2.504 20 5 GFBDRN CCC[C@@]1(CO)CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000288777456 563656932 /nfs/dbraw/zinc/65/69/32/563656932.db2.gz DGRXEGKRNBVHMF-OAHLLOKOSA-N 0 0 378.397 2.580 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCn1cc(Br)cn1 ZINC000288821080 563658843 /nfs/dbraw/zinc/65/88/43/563658843.db2.gz LALLQKKPTPALTM-UHFFFAOYSA-N 0 0 396.245 2.786 20 5 GFBDRN CN(CCn1cc(Br)cn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288935525 563662098 /nfs/dbraw/zinc/66/20/98/563662098.db2.gz WHVMYHRRUPEQHQ-UHFFFAOYSA-N 0 0 384.190 2.594 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CSC)o1 ZINC000288934726 563662125 /nfs/dbraw/zinc/66/21/25/563662125.db2.gz XAZHUWWFWRLAEG-MRVPVSSYSA-N 0 0 384.439 2.969 20 5 GFBDRN CC(C)(CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000412649808 563665360 /nfs/dbraw/zinc/66/53/60/563665360.db2.gz ZLTGWROGNVBLDI-UHFFFAOYSA-N 0 0 382.360 2.557 20 5 GFBDRN Cn1cncc1-c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000350876241 563677697 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GFBDRN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000292258571 563780006 /nfs/dbraw/zinc/78/00/06/563780006.db2.gz KLTHYZIVCPMXAA-RFAUZJTJSA-N 0 0 375.208 2.922 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCOC2(CCOCC2)CC1 ZINC000365403957 563782507 /nfs/dbraw/zinc/78/25/07/563782507.db2.gz DKQBOIJGKSIXDG-UHFFFAOYSA-N 0 0 399.241 2.769 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)CCC2CCOCC2)c1 ZINC000292449473 563787165 /nfs/dbraw/zinc/78/71/65/563787165.db2.gz NOPQMMYHMSZCCS-UHFFFAOYSA-N 0 0 394.243 2.883 20 5 GFBDRN CCOC(=O)c1csc(Cn2c(C)nc([N+](=O)[O-])c2Br)n1 ZINC000292777326 563794979 /nfs/dbraw/zinc/79/49/79/563794979.db2.gz YAPFERGHIVXHLK-UHFFFAOYSA-N 0 0 375.204 2.544 20 5 GFBDRN CSc1ccccc1S(=O)(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365953129 563795985 /nfs/dbraw/zinc/79/59/85/563795985.db2.gz HMNMANOBCWRNQT-UHFFFAOYSA-N 0 0 382.467 2.539 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000366183957 563800718 /nfs/dbraw/zinc/80/07/18/563800718.db2.gz IIEKTSCRQUBMDK-SNVBAGLBSA-N 0 0 385.442 2.890 20 5 GFBDRN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000293131795 563801558 /nfs/dbraw/zinc/80/15/58/563801558.db2.gz VYQOPXMBVHQHEY-GFCCVEGCSA-N 0 0 390.845 2.748 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000443364790 563802489 /nfs/dbraw/zinc/80/24/89/563802489.db2.gz BDOYUDTWUHSRCZ-CABCVRRESA-N 0 0 376.862 2.776 20 5 GFBDRN CC[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000366528758 563812095 /nfs/dbraw/zinc/81/20/95/563812095.db2.gz FQKKMSPKGLGREX-GOEBONIOSA-N 0 0 399.241 2.767 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Cl)c1 ZINC000443965350 563816477 /nfs/dbraw/zinc/81/64/77/563816477.db2.gz RHZTWMWFSXSVOO-UHFFFAOYSA-N 0 0 380.813 2.911 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366789844 563819929 /nfs/dbraw/zinc/81/99/29/563819929.db2.gz VSKYSHKEGNWKQD-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000416388996 563821788 /nfs/dbraw/zinc/82/17/88/563821788.db2.gz MGFZLODNNSIOTM-ONGXEEELSA-N 0 0 382.360 2.802 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457191 563831493 /nfs/dbraw/zinc/83/14/93/563831493.db2.gz XBPOKOHQYIHVCK-NXEZZACHSA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000367112727 563831589 /nfs/dbraw/zinc/83/15/89/563831589.db2.gz FTVXUGNCSGKIFG-QMMMGPOBSA-N 0 0 383.177 2.507 20 5 GFBDRN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000416457194 563831509 /nfs/dbraw/zinc/83/15/09/563831509.db2.gz XBPOKOHQYIHVCK-ZJUUUORDSA-N 0 0 382.360 2.707 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000416456122 563831670 /nfs/dbraw/zinc/83/16/70/563831670.db2.gz LRYXIHHDQFMJNG-CABZTGNLSA-N 0 0 382.360 2.850 20 5 GFBDRN CCC(O)(CC)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416467574 563832733 /nfs/dbraw/zinc/83/27/33/563832733.db2.gz CDUWLPAPGTXDSP-UHFFFAOYSA-N 0 0 384.376 2.833 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cc1O ZINC000444630335 563834857 /nfs/dbraw/zinc/83/48/57/563834857.db2.gz GUTOHVBPNFQZGD-UHFFFAOYSA-N 0 0 391.181 2.869 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416486925 563837243 /nfs/dbraw/zinc/83/72/43/563837243.db2.gz HWKCTMQZMSUQTN-LLVKDONJSA-N 0 0 384.376 2.847 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC1)OCCCO2 ZINC000294431897 563842546 /nfs/dbraw/zinc/84/25/46/563842546.db2.gz ZUTMQHKXUNXNPX-UHFFFAOYSA-N 0 0 385.214 2.727 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC[C@H](O)CC1 ZINC000294645611 563849204 /nfs/dbraw/zinc/84/92/04/563849204.db2.gz DEYUBORJSKQVRM-VIFPVBQESA-N 0 0 377.622 2.998 20 5 GFBDRN CN(C)c1nc2sc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)cc2s1 ZINC000445571140 563850685 /nfs/dbraw/zinc/85/06/85/563850685.db2.gz LOKURFBQEGQWPT-UHFFFAOYSA-N 0 0 377.411 2.783 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cc(Br)ccc2F)n1 ZINC000445579462 563850854 /nfs/dbraw/zinc/85/08/54/563850854.db2.gz KVFCXCKNWNGHCS-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)Cc4ccc([N+](=O)[O-])cc4Br)[C@H]1[C@H]3C2 ZINC000367642890 563851182 /nfs/dbraw/zinc/85/11/82/563851182.db2.gz JRBBODHCLBLCLI-SKRAFVOUSA-N 0 0 395.253 2.782 20 5 GFBDRN Cc1cn2c(n1)CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000367793554 563855365 /nfs/dbraw/zinc/85/53/65/563855365.db2.gz QRBBLDJETJGZQT-UHFFFAOYSA-N 0 0 380.202 2.910 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000416654770 563858801 /nfs/dbraw/zinc/85/88/01/563858801.db2.gz WLEJNEAWFQXFKY-VIFPVBQESA-N 0 0 375.244 2.744 20 5 GFBDRN O=[N+]([O-])c1cnn([C@@H]2CCCN(S(=O)(=O)c3cc(F)cc(Cl)c3)C2)c1 ZINC000368999101 563884184 /nfs/dbraw/zinc/88/41/84/563884184.db2.gz CSNQDSBQAJBYFN-GFCCVEGCSA-N 0 0 388.808 2.610 20 5 GFBDRN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369000493 563884206 /nfs/dbraw/zinc/88/42/06/563884206.db2.gz INOAZEONRFWSKE-LBPRGKRZSA-N 0 0 384.845 2.779 20 5 GFBDRN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000447696086 563884737 /nfs/dbraw/zinc/88/47/37/563884737.db2.gz PZQCPCBDLWGTKP-UKCHWKMGSA-N 0 0 387.330 2.990 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(-c2cc[nH+]cc2)n1 ZINC000505319804 564179992 /nfs/dbraw/zinc/17/99/92/564179992.db2.gz ZVYJITNEGLHRKI-UHFFFAOYSA-N 0 0 379.785 2.630 20 5 GFBDRN CN(Cc1cscn1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000538361400 564189317 /nfs/dbraw/zinc/18/93/17/564189317.db2.gz BMWSQLYCSTXTKW-UHFFFAOYSA-N 0 0 376.423 2.593 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000563488439 564193192 /nfs/dbraw/zinc/19/31/92/564193192.db2.gz WHCFZKYGZUAFFQ-UHFFFAOYSA-N 0 0 392.213 2.807 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000471526271 564196792 /nfs/dbraw/zinc/19/67/92/564196792.db2.gz NIQWVPDDTMGQNZ-UHFFFAOYSA-N 0 0 384.219 2.731 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000506246592 564199823 /nfs/dbraw/zinc/19/98/23/564199823.db2.gz QLPJJPIGKFWZHZ-UHFFFAOYSA-N 0 0 398.236 2.552 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ncsc2Br)cc([N+](=O)[O-])c1 ZINC000563770498 564206104 /nfs/dbraw/zinc/20/61/04/564206104.db2.gz PTSHNKUTASSCGS-UHFFFAOYSA-N 0 0 386.183 2.853 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000564058828 564218749 /nfs/dbraw/zinc/21/87/49/564218749.db2.gz GTYABPABUYFUEI-ZDUSSCGKSA-N 0 0 394.229 2.621 20 5 GFBDRN CCn1cc(S(=O)(=O)N(CC(F)F)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000564229321 564225573 /nfs/dbraw/zinc/22/55/73/564225573.db2.gz AADGWENYZPJDGV-UHFFFAOYSA-N 0 0 394.787 2.925 20 5 GFBDRN CSc1ccc(-c2nsc(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)cc1 ZINC000539724406 564226232 /nfs/dbraw/zinc/22/62/32/564226232.db2.gz FXHGHRBGKAIXHA-UHFFFAOYSA-N 0 0 376.423 2.821 20 5 GFBDRN COCCO[C@@H]1COCC[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473514902 564248811 /nfs/dbraw/zinc/24/88/11/564248811.db2.gz ZEHBXDQGYRHYOK-IUODEOHRSA-N 0 0 389.246 2.898 20 5 GFBDRN NS(=O)(=O)c1cc(N[C@@H]2CCO[C@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000450870038 564252201 /nfs/dbraw/zinc/25/22/01/564252201.db2.gz YQFOMDQIFMRBPZ-YGRLFVJLSA-N 0 0 383.451 2.636 20 5 GFBDRN CC1(C)CS(=O)(=O)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000564862526 564253927 /nfs/dbraw/zinc/25/39/27/564253927.db2.gz QKPALOTZDZIEPF-UHFFFAOYSA-N 0 0 381.479 2.727 20 5 GFBDRN CCn1nnc(C)c1COc1ccc(I)cc1[N+](=O)[O-] ZINC000450914944 564254967 /nfs/dbraw/zinc/25/49/67/564254967.db2.gz QROMDKZLLXRJTG-UHFFFAOYSA-N 0 0 388.165 2.698 20 5 GFBDRN CCc1ccc(S(=O)(=O)N(CCOC)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000564908557 564256654 /nfs/dbraw/zinc/25/66/54/564256654.db2.gz OEOHABXKPXYWAD-AWEZNQCLSA-N 0 0 388.511 2.690 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1cccnc1 ZINC000509027700 564278751 /nfs/dbraw/zinc/27/87/51/564278751.db2.gz BIIZTWAOPPYIMV-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN CCCN(C(=O)[C@H](C)Sc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000509091212 564282019 /nfs/dbraw/zinc/28/20/19/564282019.db2.gz WNCXRUAAWYRQLN-JSGCOSHPSA-N 0 0 386.495 2.501 20 5 GFBDRN CCCN(C(=O)[C@@H](C)Sc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000509091215 564282038 /nfs/dbraw/zinc/28/20/38/564282038.db2.gz WNCXRUAAWYRQLN-TZMCWYRMSA-N 0 0 386.495 2.501 20 5 GFBDRN CN(CCn1cc(Br)cn1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000565472735 564282629 /nfs/dbraw/zinc/28/26/29/564282629.db2.gz GVNOUMYIXWQCKT-UHFFFAOYSA-N 0 0 387.621 2.979 20 5 GFBDRN CSc1cccc(S(=O)(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000509257584 564290113 /nfs/dbraw/zinc/29/01/13/564290113.db2.gz UUBZLXBQGRCRAE-UHFFFAOYSA-N 0 0 380.447 2.769 20 5 GFBDRN COc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000542002532 564298274 /nfs/dbraw/zinc/29/82/74/564298274.db2.gz BSUOOFHRIWPBNX-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN NS(=O)(=O)c1cc(NCc2ccsc2Br)cc([N+](=O)[O-])c1 ZINC000509499477 564302121 /nfs/dbraw/zinc/30/21/21/564302121.db2.gz HBRUBCKWMDNXGF-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000509631150 564306738 /nfs/dbraw/zinc/30/67/38/564306738.db2.gz DMJICNKIBJBDEZ-CQSZACIVSA-N 0 0 392.209 2.622 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691772 564321981 /nfs/dbraw/zinc/32/19/81/564321981.db2.gz USMKSXZKDKMIQN-GFCCVEGCSA-N 0 0 392.767 2.538 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000542692885 564322167 /nfs/dbraw/zinc/32/21/67/564322167.db2.gz QYLSLKHZZCFJEI-ZDUSSCGKSA-N 0 0 388.804 2.708 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC[C@@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000566353664 564325104 /nfs/dbraw/zinc/32/51/04/564325104.db2.gz KRLOCVMRHSXOKG-SNVBAGLBSA-N 0 0 388.193 2.565 20 5 GFBDRN Cn1c(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000476205193 564330319 /nfs/dbraw/zinc/33/03/19/564330319.db2.gz ZLFUNNJVFJLNFX-UHFFFAOYSA-N 0 0 380.813 2.613 20 5 GFBDRN COC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000451617230 564331992 /nfs/dbraw/zinc/33/19/92/564331992.db2.gz TWLFWQPVHGUYRL-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476363274 564337005 /nfs/dbraw/zinc/33/70/05/564337005.db2.gz MNVKNJGCISLPGL-UHFFFAOYSA-N 0 0 385.193 2.892 20 5 GFBDRN CC[C@@H](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC ZINC000451680754 564339053 /nfs/dbraw/zinc/33/90/53/564339053.db2.gz MSUBZZVFIBRKDA-SKDRFNHKSA-N 0 0 395.275 2.697 20 5 GFBDRN Cn1ccnc1[C@@H]1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000451686269 564340405 /nfs/dbraw/zinc/34/04/05/564340405.db2.gz FDTOZJSJUVYWBZ-ZDUSSCGKSA-N 0 0 384.845 2.754 20 5 GFBDRN Cc1cc(S(=O)(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451745060 564346744 /nfs/dbraw/zinc/34/67/44/564346744.db2.gz NLYNHSSSOFWTAP-INIZCTEOSA-N 0 0 384.841 2.911 20 5 GFBDRN COCCO[C@@H]1C[C@@H](CO)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000567119252 564358190 /nfs/dbraw/zinc/35/81/90/564358190.db2.gz BMEDMLCFHCPZQK-ZYHUDNBSSA-N 0 0 379.240 2.752 20 5 GFBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1ccc(Cl)s1)OCCO2 ZINC000476934634 564359278 /nfs/dbraw/zinc/35/92/78/564359278.db2.gz RJJOPEHTTSGAIW-UHFFFAOYSA-N 0 0 390.826 2.559 20 5 GFBDRN COc1ccc(Br)c(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000543766168 564362923 /nfs/dbraw/zinc/36/29/23/564362923.db2.gz QSCHKLQCQMVXFS-UHFFFAOYSA-N 0 0 381.186 2.505 20 5 GFBDRN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000477141888 564367005 /nfs/dbraw/zinc/36/70/05/564367005.db2.gz WPNAHVOEZJVWKP-UHFFFAOYSA-N 0 0 392.169 2.665 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000451946712 564371331 /nfs/dbraw/zinc/37/13/31/564371331.db2.gz MQEQXSDLUKJPAD-NSHDSACASA-N 0 0 378.878 2.974 20 5 GFBDRN Cc1cccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000544042400 564372221 /nfs/dbraw/zinc/37/22/21/564372221.db2.gz FAELHLGOIJTAEX-LBPRGKRZSA-N 0 0 397.225 2.576 20 5 GFBDRN COCC[C@H](COC)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000567549824 564376928 /nfs/dbraw/zinc/37/69/28/564376928.db2.gz HIKHTZNTYGDQBD-LLVKDONJSA-N 0 0 390.234 2.839 20 5 GFBDRN Cc1c(Br)c(N[C@H](CO)Cc2ccc(O)cc2)ncc1[N+](=O)[O-] ZINC000544395123 564384606 /nfs/dbraw/zinc/38/46/06/564384606.db2.gz QLMIGFWQNXPVSK-NSHDSACASA-N 0 0 382.214 2.782 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000544597291 564389851 /nfs/dbraw/zinc/38/98/51/564389851.db2.gz ZCKIHSWEFCRGOK-LBPRGKRZSA-N 0 0 388.804 2.708 20 5 GFBDRN COC(=O)C[C@H]1CSCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000477936237 564390445 /nfs/dbraw/zinc/39/04/45/564390445.db2.gz PASBIZZDHARCLK-AAEUAGOBSA-N 0 0 384.479 2.583 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)c1 ZINC000544655389 564392666 /nfs/dbraw/zinc/39/26/66/564392666.db2.gz PLAJRFISDXRFRG-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN O=[N+]([O-])c1ccn(Cc2nc(Cc3cc(Br)ccc3F)no2)n1 ZINC000544956667 564406326 /nfs/dbraw/zinc/40/63/26/564406326.db2.gz WQEJFCPGGQXRCB-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN CCOC(=O)C[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000478773367 564414803 /nfs/dbraw/zinc/41/48/03/564414803.db2.gz PZPGMPKNSIZXNV-AWEZNQCLSA-N 0 0 378.472 2.611 20 5 GFBDRN CC(C)(C)OC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478905238 564418816 /nfs/dbraw/zinc/41/88/16/564418816.db2.gz VQTWPLAWSVNLQP-UHFFFAOYSA-N 0 0 379.150 2.920 20 5 GFBDRN COC[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000568459917 564420370 /nfs/dbraw/zinc/42/03/70/564420370.db2.gz HYCUPAQANFJHEK-NSHDSACASA-N 0 0 382.214 2.757 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H](OC(F)F)C1 ZINC000568489332 564421319 /nfs/dbraw/zinc/42/13/19/564421319.db2.gz ZAEPWXVPIJOPGP-QMMMGPOBSA-N 0 0 390.286 2.616 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000479235930 564432772 /nfs/dbraw/zinc/43/27/72/564432772.db2.gz HQTJCOCKVCRFMC-VIFPVBQESA-N 0 0 392.861 2.955 20 5 GFBDRN C[S@@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000569070769 564447361 /nfs/dbraw/zinc/44/73/61/564447361.db2.gz UHBXIANPWVSUMV-HSZRJFAPSA-N 0 0 388.854 2.928 20 5 GFBDRN CSC1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCOCC1 ZINC000514222620 564447718 /nfs/dbraw/zinc/44/77/18/564447718.db2.gz LSQFVQWWXNPMQX-UHFFFAOYSA-N 0 0 376.381 2.838 20 5 GFBDRN COc1ccc(Br)cc1-c1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000546347900 564454175 /nfs/dbraw/zinc/45/41/75/564454175.db2.gz YPMOSAOWDXSWBL-UHFFFAOYSA-N 0 0 380.158 2.816 20 5 GFBDRN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569301133 564457376 /nfs/dbraw/zinc/45/73/76/564457376.db2.gz DSRSVLOZOCVZOF-LSDHHAIUSA-N 0 0 384.219 2.970 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000569404367 564462146 /nfs/dbraw/zinc/46/21/46/564462146.db2.gz PSIYTOONTZBDQM-GFCCVEGCSA-N 0 0 382.467 2.625 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000480199838 564463231 /nfs/dbraw/zinc/46/32/31/564463231.db2.gz SJYDOOBLIHDGGS-CYBMUJFWSA-N 0 0 399.241 2.767 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC000480289317 564467730 /nfs/dbraw/zinc/46/77/30/564467730.db2.gz WABQVVXWOGDUDP-UHFFFAOYSA-N 0 0 387.820 2.919 20 5 GFBDRN CS(=O)(=O)Nc1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000515319473 564475393 /nfs/dbraw/zinc/47/53/93/564475393.db2.gz DYRCAGHCIUSEHI-UHFFFAOYSA-N 0 0 379.423 2.583 20 5 GFBDRN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Br)cn1 ZINC000515450663 564479131 /nfs/dbraw/zinc/47/91/31/564479131.db2.gz SIDHRYRRKVJNMD-UHFFFAOYSA-N 0 0 394.181 2.800 20 5 GFBDRN CCc1ccc(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000569924574 564483997 /nfs/dbraw/zinc/48/39/97/564483997.db2.gz ZIRRKWLSBGGOMM-ZDUSSCGKSA-N 0 0 384.845 2.643 20 5 GFBDRN Cc1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1SCC(N)=O ZINC000569955148 564486118 /nfs/dbraw/zinc/48/61/18/564486118.db2.gz VETBUFREVZFDLH-QMMMGPOBSA-N 0 0 380.451 2.679 20 5 GFBDRN NC(=O)c1ccc(NCCOc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000515923825 564490491 /nfs/dbraw/zinc/49/04/91/564490491.db2.gz IVHIZZJAGFPKKO-UHFFFAOYSA-N 0 0 380.198 2.947 20 5 GFBDRN CCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000517490112 564535962 /nfs/dbraw/zinc/53/59/62/564535962.db2.gz HHWIADLHPMKKLW-UHFFFAOYSA-N 0 0 391.165 2.930 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nn(C)cc1Br ZINC000455457576 564555513 /nfs/dbraw/zinc/55/55/13/564555513.db2.gz COOWONNGGFWLGO-UHFFFAOYSA-N 0 0 382.218 2.975 20 5 GFBDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455824378 564572885 /nfs/dbraw/zinc/57/28/85/564572885.db2.gz SFWDCDLFUUKIJX-VXGBXAGGSA-N 0 0 386.495 2.745 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NC[C@@H](CO)c1cccnc1 ZINC000549194570 564588249 /nfs/dbraw/zinc/58/82/49/564588249.db2.gz OHLFMAKGNQESPU-NSHDSACASA-N 0 0 399.188 2.782 20 5 GFBDRN COC(=O)[C@@H](C)N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000484674779 564594616 /nfs/dbraw/zinc/59/46/16/564594616.db2.gz UYZNZTCUCUZPTR-MRVPVSSYSA-N 0 0 380.344 2.726 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)c1 ZINC000549525169 564596986 /nfs/dbraw/zinc/59/69/86/564596986.db2.gz ZZEBCNVTUYXTQI-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN CCS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000456324343 564600485 /nfs/dbraw/zinc/60/04/85/564600485.db2.gz UVDYYWGILLEKAQ-UHFFFAOYSA-N 0 0 386.495 2.602 20 5 GFBDRN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1Br ZINC000485031110 564605058 /nfs/dbraw/zinc/60/50/58/564605058.db2.gz UIQFBNDMJFOISK-UHFFFAOYSA-N 0 0 384.205 2.790 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000456412146 564606404 /nfs/dbraw/zinc/60/64/04/564606404.db2.gz ZHVZMOZJDNEDKP-FTJNGKRUSA-N 0 0 388.873 2.775 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000550264082 564617911 /nfs/dbraw/zinc/61/79/11/564617911.db2.gz QDYGBCDBDKNFTO-UHFFFAOYSA-N 0 0 386.246 2.652 20 5 GFBDRN CC(C)CCOCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521296841 564623813 /nfs/dbraw/zinc/62/38/13/564623813.db2.gz SDPYHIJLYTVQPR-UHFFFAOYSA-N 0 0 395.275 2.698 20 5 GFBDRN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000573201895 564628153 /nfs/dbraw/zinc/62/81/53/564628153.db2.gz HAIPJAOHZHUEIX-MRXNPFEDSA-N 0 0 385.873 2.708 20 5 GFBDRN Cc1cc([N+](=O)[O-])cn(Cc2nc3ccc(Br)cc3n2C)c1=O ZINC000486049814 564637098 /nfs/dbraw/zinc/63/70/98/564637098.db2.gz BPIQMCOXYUTULF-UHFFFAOYSA-N 0 0 377.198 2.762 20 5 GFBDRN CCOC(=O)Cc1cnc(NC(=O)CSc2ccccc2[N+](=O)[O-])s1 ZINC000456902175 564638603 /nfs/dbraw/zinc/63/86/03/564638603.db2.gz MWYVAAZJNZFFFT-UHFFFAOYSA-N 0 0 381.435 2.888 20 5 GFBDRN C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551402215 564648802 /nfs/dbraw/zinc/64/88/02/564648802.db2.gz XXJQHCMKCLROBU-ONGXEEELSA-N 0 0 384.230 2.991 20 5 GFBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H](C)[S@@]1=O ZINC000573691995 564649717 /nfs/dbraw/zinc/64/97/17/564649717.db2.gz HEENGRCWVNBHBD-ACJFNNECSA-N 0 0 376.276 2.797 20 5 GFBDRN Cc1c(Br)c(N(C)Cc2ncnn2CC(F)F)ncc1[N+](=O)[O-] ZINC000486490104 564654158 /nfs/dbraw/zinc/65/41/58/564654158.db2.gz SGLDQISLUUDSBA-UHFFFAOYSA-N 0 0 391.176 2.554 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000457280700 564654381 /nfs/dbraw/zinc/65/43/81/564654381.db2.gz QISGJMSHNQPJOV-QMTHXVAHSA-N 0 0 396.241 2.549 20 5 GFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000522875429 564658454 /nfs/dbraw/zinc/65/84/54/564658454.db2.gz IUGKVKVCZUAUNR-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN O=C(CS(=O)(=O)C1CCCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551669930 564659958 /nfs/dbraw/zinc/65/99/58/564659958.db2.gz NLVJJQRDQAGPLI-UHFFFAOYSA-N 0 0 391.243 2.653 20 5 GFBDRN O=C(NC[C@H]1CC=CCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551716768 564661624 /nfs/dbraw/zinc/66/16/24/564661624.db2.gz QTXPHSMSZLORDW-JTQLQIEISA-N 0 0 382.214 2.768 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552395057 564689688 /nfs/dbraw/zinc/68/96/88/564689688.db2.gz UQYWUASAUBNTRN-SDBXPKJASA-N 0 0 383.202 2.586 20 5 GFBDRN Cn1cc(-c2n[nH]cc2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000552746985 564699934 /nfs/dbraw/zinc/69/99/34/564699934.db2.gz RDCQZKHYTQJJNS-UHFFFAOYSA-N 0 0 391.185 2.733 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000525699065 564705570 /nfs/dbraw/zinc/70/55/70/564705570.db2.gz SFHGZSNPTSGJNG-UHFFFAOYSA-N 0 0 385.829 2.647 20 5 GFBDRN Cc1sc2nc([C@H](C)Sc3ncc([N+](=O)[O-])c(N)n3)nc(N)c2c1C ZINC000576242383 564709278 /nfs/dbraw/zinc/70/92/78/564709278.db2.gz XTFAFGAEGUDERU-ZETCQYMHSA-N 0 0 377.455 2.854 20 5 GFBDRN Cc1c(Br)c(N[C@H]2CCO[C@@H]2c2nccn2C)ncc1[N+](=O)[O-] ZINC000488639312 564716282 /nfs/dbraw/zinc/71/62/82/564716282.db2.gz DXTSXGZVHGSOBU-CABZTGNLSA-N 0 0 382.218 2.736 20 5 GFBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000488718701 564718065 /nfs/dbraw/zinc/71/80/65/564718065.db2.gz MQKXSPLUPUGUMS-GFCCVEGCSA-N 0 0 394.229 2.709 20 5 GFBDRN CC(C)c1nnc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000488710116 564718462 /nfs/dbraw/zinc/71/84/62/564718462.db2.gz DNNAJJCNJORNTM-UHFFFAOYSA-N 0 0 376.485 2.689 20 5 GFBDRN Cc1nccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1Br ZINC000527342134 564740848 /nfs/dbraw/zinc/74/08/48/564740848.db2.gz XBSUDMVFQASHAS-UHFFFAOYSA-N 0 0 379.214 2.923 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000490446241 564771516 /nfs/dbraw/zinc/77/15/16/564771516.db2.gz PRQLMINRACPVMV-NSHDSACASA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCc2nnc(C(C)C)s2)c1C ZINC000490453102 564772566 /nfs/dbraw/zinc/77/25/66/564772566.db2.gz ILSCPSMHGAUALD-UHFFFAOYSA-N 0 0 384.483 2.708 20 5 GFBDRN NC(=O)c1cnn2c1C[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000580850902 564776154 /nfs/dbraw/zinc/77/61/54/564776154.db2.gz URYXCRKWWMQQRX-QMMMGPOBSA-N 0 0 384.223 2.872 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000554928744 564777269 /nfs/dbraw/zinc/77/72/69/564777269.db2.gz LZROXEIOKGOLCH-UHFFFAOYSA-N 0 0 395.213 2.752 20 5 GFBDRN Cc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000581095673 564787672 /nfs/dbraw/zinc/78/76/72/564787672.db2.gz YMUXFYWMSWRWDC-GFCCVEGCSA-N 0 0 394.229 2.772 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000491590367 564793541 /nfs/dbraw/zinc/79/35/41/564793541.db2.gz ZJQUDGKRIRUYLG-ZJUUUORDSA-N 0 0 378.447 2.695 20 5 GFBDRN CSc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(SC)n1 ZINC000581380493 564799736 /nfs/dbraw/zinc/79/97/36/564799736.db2.gz VVXFQOLXMIVXEZ-JTQLQIEISA-N 0 0 378.483 2.914 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](CO)CC1CCCC1 ZINC000461798991 564805772 /nfs/dbraw/zinc/80/57/72/564805772.db2.gz WAXFIPURBSOWEO-GFCCVEGCSA-N 0 0 376.862 2.715 20 5 GFBDRN CC(=O)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000556428192 564825548 /nfs/dbraw/zinc/82/55/48/564825548.db2.gz CSXRXDJYKVVLEP-UHFFFAOYSA-N 0 0 393.197 2.693 20 5 GFBDRN CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462255052 564829273 /nfs/dbraw/zinc/82/92/73/564829273.db2.gz CYOIDKKNSXUHCN-UHFFFAOYSA-N 0 0 399.252 2.864 20 5 GFBDRN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556562183 564830936 /nfs/dbraw/zinc/83/09/36/564830936.db2.gz GEWONRFPFLEGCR-BXKDBHETSA-N 0 0 384.230 2.943 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](N2CCOCC2)C1 ZINC000582368705 564843724 /nfs/dbraw/zinc/84/37/24/564843724.db2.gz PMZLWCCPCKGUSH-OAHLLOKOSA-N 0 0 384.274 2.654 20 5 GFBDRN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000583052723 564873649 /nfs/dbraw/zinc/87/36/49/564873649.db2.gz IEFAUKFHCNPJLS-UHFFFAOYSA-N 0 0 383.154 2.667 20 5 GFBDRN C[C@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000557734279 564874388 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ZINC000881865333 663006946 /nfs/dbraw/zinc/00/69/46/663006946.db2.gz UZHCBCAFSPCLTI-JTQLQIEISA-N 0 0 391.225 2.569 20 5 GFBDRN Cn1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C1CC1 ZINC000885911760 663101103 /nfs/dbraw/zinc/10/11/03/663101103.db2.gz QUIFWHBMJRRROM-UHFFFAOYSA-N 0 0 379.214 2.898 20 5 GFBDRN Cc1cc2c(cc1Br)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000886286514 663107240 /nfs/dbraw/zinc/10/72/40/663107240.db2.gz TXLDDQDGPPJFJC-UHFFFAOYSA-N 0 0 393.241 2.837 20 5 GFBDRN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cccc([N+](=O)[O-])c1Br ZINC000886944235 663125664 /nfs/dbraw/zinc/12/56/64/663125664.db2.gz MYKQTWUNIDSSGF-VXGBXAGGSA-N 0 0 387.230 2.558 20 5 GFBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nn2c(c1Br)CCC2 ZINC000888116229 663178772 /nfs/dbraw/zinc/17/87/72/663178772.db2.gz LLLGZHQUKGOVOO-UHFFFAOYSA-N 0 0 379.214 2.772 20 5 GFBDRN O=C(N[C@@H]1CC12CC(O)C2)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000888961385 663227138 /nfs/dbraw/zinc/22/71/38/663227138.db2.gz UEDFHTUZTVWQCC-OILJVLCYSA-N 0 0 375.606 2.654 20 5 GFBDRN C[C@]12COC[C@H]1CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000889715943 663258326 /nfs/dbraw/zinc/25/83/26/663258326.db2.gz KZDKBVCTGWIAIH-ABAIWWIYSA-N 0 0 384.230 2.535 20 5 GFBDRN C[C@H]1[C@H](CO)CCCN1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889718334 663259402 /nfs/dbraw/zinc/25/94/02/663259402.db2.gz BWBIAYCKTSAZCT-JQWIXIFHSA-N 0 0 386.246 2.660 20 5 GFBDRN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](CCO)C1 ZINC000889726534 663261022 /nfs/dbraw/zinc/26/10/22/663261022.db2.gz RKPQRVWCYRTBRU-LLVKDONJSA-N 0 0 386.246 2.661 20 5 GFBDRN CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889729020 663261387 /nfs/dbraw/zinc/26/13/87/663261387.db2.gz SZHFHKJBASDXKY-NSHDSACASA-N 0 0 386.246 2.925 20 5 GFBDRN COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)CCS2 ZINC000890607453 663307237 /nfs/dbraw/zinc/30/72/37/663307237.db2.gz PZHBICSYVDDZPK-NOEPWBJOSA-N 0 0 384.479 2.912 20 5 GFBDRN Cn1ncc(Br)c1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000891144383 663326533 /nfs/dbraw/zinc/32/65/33/663326533.db2.gz FIHSTXGYQJDHSE-UHFFFAOYSA-N 0 0 381.230 2.685 20 5 GFBDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000891298523 663334303 /nfs/dbraw/zinc/33/43/03/663334303.db2.gz WNEAYRVGRJKILC-SKDRFNHKSA-N 0 0 385.214 2.819 20 5 GFBDRN CC(=O)N1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC1 ZINC000891404506 663338577 /nfs/dbraw/zinc/33/85/77/663338577.db2.gz IHUDSRGTOKRMRK-UHFFFAOYSA-N 0 0 379.214 2.574 20 5 GFBDRN Cc1cc(Br)c2c(c1)CCCN2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000891553359 663343659 /nfs/dbraw/zinc/34/36/59/663343659.db2.gz SMOJITBHSNSKTN-UHFFFAOYSA-N 0 0 379.214 2.992 20 5 GFBDRN Cc1nccnc1N(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000893281744 663405390 /nfs/dbraw/zinc/40/53/90/663405390.db2.gz LQGZQCUCXCCKIS-UHFFFAOYSA-N 0 0 394.229 2.555 20 5 GFBDRN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3Br)O2)CO1 ZINC000894631417 663473411 /nfs/dbraw/zinc/47/34/11/663473411.db2.gz BVBWZTBBQVTMNS-XAGWURHQSA-N 0 0 399.241 2.814 20 5 GFBDRN COC(=O)N[C@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC000895233615 663504126 /nfs/dbraw/zinc/50/41/26/663504126.db2.gz GLBQLTBYUPKNKK-JTQLQIEISA-N 0 0 395.213 2.840 20 5 GFBDRN CS(=O)(=O)c1ccc(N2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC000895393189 663511691 /nfs/dbraw/zinc/51/16/91/663511691.db2.gz XFWHMVPMSBWISU-LBPRGKRZSA-N 0 0 382.335 2.869 20 5 GFBDRN COCc1ncc2c(n1)CCN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000895415657 663512994 /nfs/dbraw/zinc/51/29/94/663512994.db2.gz QSFZIARGLODIIW-UHFFFAOYSA-N 0 0 393.241 2.852 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](Cc2nccs2)C1 ZINC000895683947 663522984 /nfs/dbraw/zinc/52/29/84/663522984.db2.gz DLDDVNGCMPKGSM-GFCCVEGCSA-N 0 0 381.479 2.914 20 5 GFBDRN O=C(CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCCCC1 ZINC000895722944 663525530 /nfs/dbraw/zinc/52/55/30/663525530.db2.gz HRPVCGYNSGGEAP-UHFFFAOYSA-N 0 0 378.187 2.783 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)cc1NCC1(O)CCC2(CC1)OCCO2 ZINC000895885770 663532083 /nfs/dbraw/zinc/53/20/83/663532083.db2.gz VAQAKPUVRQESNE-UHFFFAOYSA-N 0 0 387.230 2.817 20 5 GFBDRN O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Br)c1 ZINC000896261824 663547640 /nfs/dbraw/zinc/54/76/40/663547640.db2.gz MCGBKPUCPDVDDC-UQPYNNQESA-N 0 0 375.244 2.877 20 5 GFBDRN O=C(NCC1(N2CCOCC2)CC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897576474 663612072 /nfs/dbraw/zinc/61/20/72/663612072.db2.gz JGVLIAAZAGILGH-UHFFFAOYSA-N 0 0 392.214 2.635 20 5 GFBDRN COC[C@]1(CO)CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897930411 663626060 /nfs/dbraw/zinc/62/60/60/663626060.db2.gz ATKMMTYJIQNUKE-CQSZACIVSA-N 0 0 381.187 2.512 20 5 GFBDRN C[C@H](OC(=O)[C@H]1CSCCS1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000899054486 663673718 /nfs/dbraw/zinc/67/37/18/663673718.db2.gz ZLDFWQOMFVWKQG-QPUJVOFHSA-N 0 0 390.870 2.967 20 5 GFBDRN CCNC(=O)N1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000900030058 663706761 /nfs/dbraw/zinc/70/67/61/663706761.db2.gz LHINQAMHVOAONE-UHFFFAOYSA-N 0 0 393.202 2.528 20 5 GFBDRN Cc1cc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc([N+](=O)[O-])c1 ZINC000900934463 663727186 /nfs/dbraw/zinc/72/71/86/663727186.db2.gz SOLQDMAOTUAQSL-LLVKDONJSA-N 0 0 379.214 2.607 20 5 GFBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCOC1CCSCC1 ZINC000901534922 663737243 /nfs/dbraw/zinc/73/72/43/663737243.db2.gz MIGSWOXFGRWTNL-UHFFFAOYSA-N 0 0 381.479 2.846 20 5 GFBDRN C[C@@H](CCCC(=O)[O-])[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000903992755 663815884 /nfs/dbraw/zinc/81/58/84/663815884.db2.gz IQKPTPIYUQCFAC-VIFPVBQESA-N 0 0 392.193 2.932 20 5 GFBDRN O=C(NCc1nc(-c2ccc(Br)o2)no1)c1cccc([N+](=O)[O-])c1 ZINC000904629348 663838998 /nfs/dbraw/zinc/83/89/98/663838998.db2.gz OFESERNIGMZRND-UHFFFAOYSA-N 0 0 393.153 2.930 20 5 GFBDRN CSc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000905899267 663899487 /nfs/dbraw/zinc/89/94/87/663899487.db2.gz RXKJSXPWPDXMRB-AWEZNQCLSA-N 0 0 386.495 2.602 20 5 GFBDRN CO[C@]12CCC[C@@]1(NC(=O)c1cc([N+](=O)[O-])ccc1Br)CCO2 ZINC000906201013 663931306 /nfs/dbraw/zinc/93/13/06/663931306.db2.gz MQYIUIIAECLJLE-CABCVRRESA-N 0 0 385.214 2.773 20 5 GFBDRN CO[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCSC1 ZINC000906231406 663933204 /nfs/dbraw/zinc/93/32/04/663933204.db2.gz WFIVLRMWTQHUFR-CYBMUJFWSA-N 0 0 375.244 2.609 20 5 GFBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCS(=O)(=O)C[C@@H]1C ZINC000906461438 663950094 /nfs/dbraw/zinc/95/00/94/663950094.db2.gz YRVRTFUQYXVLEI-LBPRGKRZSA-N 0 0 386.495 2.745 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC000908127912 664085944 /nfs/dbraw/zinc/08/59/44/664085944.db2.gz LNRKVELACSAPOA-SNVBAGLBSA-N 0 0 387.870 2.958 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)cc1[N+](=O)[O-] ZINC000908132340 664086431 /nfs/dbraw/zinc/08/64/31/664086431.db2.gz QPWJSXPCQHSOQQ-CYBMUJFWSA-N 0 0 381.479 2.921 20 5 GFBDRN C[C@H]1C[C@H]1C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000908969622 664138766 /nfs/dbraw/zinc/13/87/66/664138766.db2.gz KXTJHWQLOREKDF-OIBJUYFYSA-N 0 0 389.145 2.581 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2ncc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000909668152 664166411 /nfs/dbraw/zinc/16/64/11/664166411.db2.gz ANRXLGSPQQGLKL-UHFFFAOYSA-N 0 0 391.225 2.874 20 5 GFBDRN CCN1C(=S)N[C@H](c2cc([N+](=O)[O-])ccc2Cl)C(C(=O)N(C)C)=C1C ZINC000916164121 664452610 /nfs/dbraw/zinc/45/26/10/664452610.db2.gz VNHUTEMXWMGVQX-CQSZACIVSA-N 0 0 382.873 2.862 20 5 GFBDRN Cc1cc(C(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C ZINC000916991163 664475151 /nfs/dbraw/zinc/47/51/51/664475151.db2.gz PLOBXHTWRCRRDH-UHFFFAOYSA-N 0 0 385.829 2.664 20 5 GFBDRN Cc1ncc(Br)n1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000918317677 664498009 /nfs/dbraw/zinc/49/80/09/664498009.db2.gz SDIRRKQVWVEYSB-UHFFFAOYSA-N 0 0 381.186 2.860 20 5 GFBDRN CN(CCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000920003588 664520709 /nfs/dbraw/zinc/52/07/09/664520709.db2.gz MVKSMPPBYAUTQI-UHFFFAOYSA-N 0 0 398.179 2.971 20 5 GFBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCc1cccs1 ZINC000920115405 664522328 /nfs/dbraw/zinc/52/23/28/664522328.db2.gz UGFJWNXOJFPAEK-LLVKDONJSA-N 0 0 384.435 2.844 20 5 GFBDRN CC(=O)NCc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000921065716 664536238 /nfs/dbraw/zinc/53/62/38/664536238.db2.gz IVXBELQWLXCQOR-UHFFFAOYSA-N 0 0 384.797 2.652 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC=CCC2)cc1Br ZINC000921065605 664536247 /nfs/dbraw/zinc/53/62/47/664536247.db2.gz IISXAAQRWGGTBC-SNVBAGLBSA-N 0 0 375.244 2.992 20 5 GFBDRN CCC(=O)N1CC[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000922547341 664606628 /nfs/dbraw/zinc/60/66/28/664606628.db2.gz MDYQLYGZDIFMKE-SNVBAGLBSA-N 0 0 385.214 2.659 20 5 GFBDRN O=C(OC[C@H]1CCC2(COC2)O1)c1sc(Br)cc1[N+](=O)[O-] ZINC000922657917 664609917 /nfs/dbraw/zinc/60/99/17/664609917.db2.gz XTYZEPCXHFWDCE-SSDOTTSWSA-N 0 0 378.200 2.524 20 5 GFBDRN O=[N+]([O-])c1cc(CNC2(c3ncccn3)CCOCC2)ccc1Br ZINC000923008075 664620923 /nfs/dbraw/zinc/62/09/23/664620923.db2.gz AYJBLCJSVZFKND-UHFFFAOYSA-N 0 0 393.241 2.943 20 5 GFBDRN CCc1cc(CC(=O)OCc2cccc([N+](=O)[O-])c2Br)n(C)n1 ZINC000923812389 664638433 /nfs/dbraw/zinc/63/84/33/664638433.db2.gz AAGLEXGLHAARKS-UHFFFAOYSA-N 0 0 382.214 2.939 20 5 GFBDRN O=C1[C@@H]2[C@@H]3CCC[C@H]3CN2C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925087548 664666596 /nfs/dbraw/zinc/66/65/96/664666596.db2.gz WDTBLJPPKINWKR-BHYNMZESSA-N 0 0 394.225 2.920 20 5 GFBDRN CN1C[C@H](CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1=O ZINC000927742525 664714802 /nfs/dbraw/zinc/71/48/02/664714802.db2.gz VBAQMPCQNAFCCU-SSDOTTSWSA-N 0 0 378.187 2.639 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000928018045 664720401 /nfs/dbraw/zinc/72/04/01/664720401.db2.gz XOODLPKWZHNCPT-UHFFFAOYSA-N 0 0 397.204 2.586 20 5 GFBDRN CO[C@]12CCC[C@@]1(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)CCO2 ZINC000928062451 664721640 /nfs/dbraw/zinc/72/16/40/664721640.db2.gz QYPXIEYKWPXZMD-CVEARBPZSA-N 0 0 399.241 2.702 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](c1ncccn1)C1CC1 ZINC000928572455 664735435 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Cc1c(Br)cc(C(=O)NC[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000130011870 551360848 /nfs/dbraw/zinc/36/08/48/551360848.db2.gz COMWFQHSFSVIRI-JTQLQIEISA-N 0 0 381.230 2.928 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H](O)C1CCCCC1 ZINC000131057757 551371774 /nfs/dbraw/zinc/37/17/74/551371774.db2.gz MDLRHAZHCAVMIW-HNNXBMFYSA-N 0 0 385.258 2.957 20 5 GFBDRN O=c1ccn(Cc2nc(Cc3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000131099278 551372505 /nfs/dbraw/zinc/37/25/05/551372505.db2.gz LCGIHXOJXJPYHL-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000132848604 551379656 /nfs/dbraw/zinc/37/96/56/551379656.db2.gz UZUCCISYKLRTTQ-UHFFFAOYSA-N 0 0 392.220 2.654 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Br)c2cccnc12 ZINC000143058500 551395176 /nfs/dbraw/zinc/39/51/76/551395176.db2.gz OQZNSJASYQQQJQ-UHFFFAOYSA-N 0 0 376.170 2.741 20 5 GFBDRN CN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000145753986 551396839 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0 0 385.442 2.890 20 5 GFBDRN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000366283143 563803856 /nfs/dbraw/zinc/80/38/56/563803856.db2.gz KNNKFKKTQVWXJN-BZNIZROVSA-N 0 0 382.463 2.778 20 5 GFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@H]1[C@@H]1CCCO1 ZINC000366452594 563809276 /nfs/dbraw/zinc/80/92/76/563809276.db2.gz MDJHUSPRACKDRK-AAEUAGOBSA-N 0 0 384.230 2.782 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000416380919 563820598 /nfs/dbraw/zinc/82/05/98/563820598.db2.gz CWUWKPMZRNCNPR-UHFFFAOYSA-N 0 0 384.435 2.572 20 5 GFBDRN CCc1nocc1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000293754262 563823412 /nfs/dbraw/zinc/82/34/12/563823412.db2.gz JFVFXFNAEPKBHP-UHFFFAOYSA-N 0 0 377.781 2.758 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000367055755 563829139 /nfs/dbraw/zinc/82/91/39/563829139.db2.gz SNETZINEFGKIIK-HUUCEWRRSA-N 0 0 399.241 2.686 20 5 GFBDRN C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000294228959 563835449 /nfs/dbraw/zinc/83/54/49/563835449.db2.gz FTIJZVZPDJFCGS-LURJTMIESA-N 0 0 377.710 2.887 20 5 GFBDRN COC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000416489755 563837923 /nfs/dbraw/zinc/83/79/23/563837923.db2.gz RFHYZZFXMAJKOY-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN COC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416493386 563838766 /nfs/dbraw/zinc/83/87/66/563838766.db2.gz DOKWSZLOXNHKLU-NSHDSACASA-N 0 0 382.360 2.803 20 5 GFBDRN CC[C@H]1Cc2c(Br)cccc2CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000444881564 563838924 /nfs/dbraw/zinc/83/89/24/563838924.db2.gz XVIQWVATGBVTAH-JTQLQIEISA-N 0 0 378.230 2.901 20 5 GFBDRN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]3c3nnc[nH]3)n2)c(Br)c1 ZINC000367302091 563839878 /nfs/dbraw/zinc/83/98/78/563839878.db2.gz UHUJTMPESKCZCR-NXEZZACHSA-N 0 0 391.185 2.720 20 5 GFBDRN C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000294374117 563840290 /nfs/dbraw/zinc/84/02/90/563840290.db2.gz RROKQHZVHWZJTO-CLAHSXSESA-N 0 0 375.194 2.777 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000445733721 563853222 /nfs/dbraw/zinc/85/32/22/563853222.db2.gz LPTOGNQDCMXPFI-UTLUCORTSA-N 0 0 393.259 2.544 20 5 GFBDRN COc1ccc(C)cc1C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000446576009 563865433 /nfs/dbraw/zinc/86/54/33/563865433.db2.gz MQRAPSOWOUPFNI-UHFFFAOYSA-N 0 0 381.182 2.719 20 5 GFBDRN O=C(c1c[nH]c(=O)c(Br)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446583674 563865517 /nfs/dbraw/zinc/86/55/17/563865517.db2.gz DSVMCZFILVPGMI-UHFFFAOYSA-N 0 0 378.182 2.656 20 5 GFBDRN Cc1ccn2c(c1)nnc2NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000446643113 563866607 /nfs/dbraw/zinc/86/66/07/563866607.db2.gz SIKJQHGYWIYUMG-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN CN(Cc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447029083 563872628 /nfs/dbraw/zinc/87/26/28/563872628.db2.gz JTQHGQXVYBJKAG-UHFFFAOYSA-N 0 0 392.256 2.635 20 5 GFBDRN CO[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1(C)C ZINC000447030432 563872656 /nfs/dbraw/zinc/87/26/56/563872656.db2.gz UVVAUOUDJABNFJ-RYUDHWBXSA-N 0 0 382.360 2.705 20 5 GFBDRN C[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028642 563872760 /nfs/dbraw/zinc/87/27/60/563872760.db2.gz IVIQJESPGQBWKI-KOLCDFICSA-N 0 0 393.259 2.593 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000447928835 563890647 /nfs/dbraw/zinc/89/06/47/563890647.db2.gz SBNWCCJEWOQFPZ-UHFFFAOYSA-N 0 0 385.467 2.505 20 5 GFBDRN COCCN([C@@H]1CCCSC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000447935132 563891297 /nfs/dbraw/zinc/89/12/97/563891297.db2.gz DOZGHECTGWLQJI-CQSZACIVSA-N 0 0 388.511 2.744 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000447946462 563892014 /nfs/dbraw/zinc/89/20/14/563892014.db2.gz VOHNWVBRZUWEQN-AWEZNQCLSA-N 0 0 376.862 2.992 20 5 GFBDRN Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000369367762 563893995 /nfs/dbraw/zinc/89/39/95/563893995.db2.gz CLRUQRANOGCEDO-LLVKDONJSA-N 0 0 384.845 2.550 20 5 GFBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cc(C(F)(F)F)ccn1 ZINC000563542389 564196398 /nfs/dbraw/zinc/19/63/98/564196398.db2.gz XFEIYWBNLIXRNP-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000506209985 564198915 /nfs/dbraw/zinc/19/89/15/564198915.db2.gz MKCDZCSHBGKULY-LBPRGKRZSA-N 0 0 376.862 2.992 20 5 GFBDRN COC(=O)[C@H](CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000563712525 564203359 /nfs/dbraw/zinc/20/33/59/564203359.db2.gz FAFGMBHTBUSMLH-GFCCVEGCSA-N 0 0 395.209 2.866 20 5 GFBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000507162463 564219722 /nfs/dbraw/zinc/21/97/22/564219722.db2.gz NSXSRQYBIJLZQK-LBPRGKRZSA-N 0 0 394.181 2.712 20 5 GFBDRN Cc1ccc(NCCCNS(=O)(=O)CCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000539775860 564227942 /nfs/dbraw/zinc/22/79/42/564227942.db2.gz RXZYEAOLYLUADW-UHFFFAOYSA-N 0 0 383.392 2.967 20 5 GFBDRN COCCOc1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000539844247 564229997 /nfs/dbraw/zinc/22/99/97/564229997.db2.gz GNGWXCKJCSQTPR-UHFFFAOYSA-N 0 0 386.451 2.697 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(Br)cc1 ZINC000539988184 564235425 /nfs/dbraw/zinc/23/54/25/564235425.db2.gz JXSFTQXEQLJCEI-CQSZACIVSA-N 0 0 379.210 2.750 20 5 GFBDRN CNS(=O)(=O)c1ccc(NC[C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000450554675 564238997 /nfs/dbraw/zinc/23/89/97/564238997.db2.gz DVCPDIKLWKXAOZ-NSHDSACASA-N 0 0 379.463 2.804 20 5 GFBDRN CCCN(CC(=O)NC)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000540296004 564244376 /nfs/dbraw/zinc/24/43/76/564244376.db2.gz HEOHMKUKFUTLEB-UHFFFAOYSA-N 0 0 381.230 2.868 20 5 GFBDRN Cc1c(Br)c(N2CC[S@@](=O)C(C)(C)CC2)ncc1[N+](=O)[O-] ZINC000450832276 564249356 /nfs/dbraw/zinc/24/93/56/564249356.db2.gz ULXHWFGXOGAENR-OAQYLSRUSA-N 0 0 376.276 2.798 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000450852739 564252314 /nfs/dbraw/zinc/25/23/14/564252314.db2.gz DFQSJPWKICINPJ-QMTHXVAHSA-N 0 0 379.214 2.901 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccc(F)c(Br)c2)nc1 ZINC000450886348 564253088 /nfs/dbraw/zinc/25/30/88/564253088.db2.gz FRJYNELKGUUBEI-LLVKDONJSA-N 0 0 384.205 2.576 20 5 GFBDRN CCOC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)n1C ZINC000508166462 564257055 /nfs/dbraw/zinc/25/70/55/564257055.db2.gz SMIUSYIUPUASPA-UHFFFAOYSA-N 0 0 397.185 2.520 20 5 GFBDRN COc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cccc1C(N)=O ZINC000541086090 564265951 /nfs/dbraw/zinc/26/59/51/564265951.db2.gz BLZCLZUBTYIKKW-UHFFFAOYSA-N 0 0 394.181 2.717 20 5 GFBDRN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000541348604 564276300 /nfs/dbraw/zinc/27/63/00/564276300.db2.gz DNOXVKXJQSEJDJ-CYBMUJFWSA-N 0 0 384.175 2.941 20 5 GFBDRN Cc1c(Br)c(N2CCN(C(=O)c3ccco3)CC2)ncc1[N+](=O)[O-] ZINC000541576581 564284188 /nfs/dbraw/zinc/28/41/88/564284188.db2.gz MXMDLWJSUBMZCU-UHFFFAOYSA-N 0 0 395.213 2.616 20 5 GFBDRN Cc1c(Br)c(N2CCN(Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000541578823 564284200 /nfs/dbraw/zinc/28/42/00/564284200.db2.gz QDYUUSWNTGIIAW-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN COc1ccc(C(=O)N2CCOc3ncc(Br)cc32)cc1[N+](=O)[O-] ZINC000541644425 564285096 /nfs/dbraw/zinc/28/50/96/564285096.db2.gz QASWJPBVBMNNSZ-UHFFFAOYSA-N 0 0 394.181 2.800 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2csc(N(C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000542219863 564305274 /nfs/dbraw/zinc/30/52/74/564305274.db2.gz ABWZLFHBFKFPDI-UHFFFAOYSA-N 0 0 399.270 2.931 20 5 GFBDRN O=C(Cc1cccc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476169141 564329698 /nfs/dbraw/zinc/32/96/98/564329698.db2.gz QZZYSOKNNQTPGO-UHFFFAOYSA-N 0 0 376.210 2.880 20 5 GFBDRN COc1ccc(S(=O)(=O)NC[C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000451613104 564331368 /nfs/dbraw/zinc/33/13/68/564331368.db2.gz MKIBVEUHLQQCNY-NSHDSACASA-N 0 0 380.447 2.771 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000451741210 564347077 /nfs/dbraw/zinc/34/70/77/564347077.db2.gz AXPIQQWQHZDZFO-CYBMUJFWSA-N 0 0 390.870 2.972 20 5 GFBDRN Cc1c(Br)c(N2CCN(CC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000543450937 564351738 /nfs/dbraw/zinc/35/17/38/564351738.db2.gz JCMMOIAAFXPJCU-UHFFFAOYSA-N 0 0 383.168 2.745 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000451833309 564357037 /nfs/dbraw/zinc/35/70/37/564357037.db2.gz MLZFSCDLAYHMAD-PRHODGIISA-N 0 0 383.253 2.947 20 5 GFBDRN COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ncc1Br ZINC000476982128 564361130 /nfs/dbraw/zinc/36/11/30/564361130.db2.gz QPCMTQKCGVDSDD-UHFFFAOYSA-N 0 0 385.149 2.735 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CCO)c1ccccc1Br ZINC000543840863 564365722 /nfs/dbraw/zinc/36/57/22/564365722.db2.gz YTXPZQLIFSQTIT-OAHLLOKOSA-N 0 0 394.225 2.914 20 5 GFBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000543948335 564369516 /nfs/dbraw/zinc/36/95/16/564369516.db2.gz BARJGPMZVACWDH-UHFFFAOYSA-N 0 0 384.154 2.831 20 5 GFBDRN C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451990135 564377226 /nfs/dbraw/zinc/37/72/26/564377226.db2.gz LQLXEEXXQMXRFD-ZCFIWIBFSA-N 0 0 393.195 2.538 20 5 GFBDRN Cc1c(Br)c(NCc2cccc(NC(N)=O)c2)ncc1[N+](=O)[O-] ZINC000544395542 564384717 /nfs/dbraw/zinc/38/47/17/564384717.db2.gz ZFZZEDIRYJLXIF-UHFFFAOYSA-N 0 0 380.202 2.585 20 5 GFBDRN Cc1c(Br)c(NCc2cnn(CC(F)(F)F)c2)ncc1[N+](=O)[O-] ZINC000544394459 564384921 /nfs/dbraw/zinc/38/49/21/564384921.db2.gz JEKOFPSHGNCJHK-UHFFFAOYSA-N 0 0 394.151 2.854 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccccc2Br)cc1 ZINC000544597047 564389644 /nfs/dbraw/zinc/38/96/44/564389644.db2.gz KBQVQELXHLVKLE-UHFFFAOYSA-N 0 0 399.266 2.921 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000477919549 564390602 /nfs/dbraw/zinc/39/06/02/564390602.db2.gz SFKHSSLOAWFKCZ-UHFFFAOYSA-N 0 0 378.186 2.502 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000544669692 564393454 /nfs/dbraw/zinc/39/34/54/564393454.db2.gz HKISOUWJSMLIHU-ZDUSSCGKSA-N 0 0 390.845 2.661 20 5 GFBDRN COc1cc(Br)ccc1-c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000545070722 564407681 /nfs/dbraw/zinc/40/76/81/564407681.db2.gz LATDDACPEVMTQV-UHFFFAOYSA-N 0 0 380.158 2.816 20 5 GFBDRN CC[C@@H](C)N(CC(=O)OC)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000545253786 564415070 /nfs/dbraw/zinc/41/50/70/564415070.db2.gz BCDSUIGDRFVXKU-SNVBAGLBSA-N 0 0 387.230 2.700 20 5 GFBDRN Cc1c(Br)c(NCc2nnc3n2CCCCC3)ncc1[N+](=O)[O-] ZINC000545292793 564415792 /nfs/dbraw/zinc/41/57/92/564415792.db2.gz KEGYSYXVKUOBFX-UHFFFAOYSA-N 0 0 381.234 2.991 20 5 GFBDRN CCCCCNC(=O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000478902022 564417885 /nfs/dbraw/zinc/41/78/85/564417885.db2.gz XFKNEZNQRKCXBQ-UHFFFAOYSA-N 0 0 392.193 2.885 20 5 GFBDRN CCOC[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000479201795 564430869 /nfs/dbraw/zinc/43/08/69/564430869.db2.gz LMLJVAJXXFQWRA-SECBINFHSA-N 0 0 383.253 2.949 20 5 GFBDRN CC1(CO)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545828626 564433428 /nfs/dbraw/zinc/43/34/28/564433428.db2.gz YKSVNLSAYZIIOF-UHFFFAOYSA-N 0 0 383.253 2.685 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](CO)CC1CCCC1 ZINC000513933134 564443234 /nfs/dbraw/zinc/44/32/34/564443234.db2.gz FLZNSRYHFHHOGM-ZDUSSCGKSA-N 0 0 385.258 2.957 20 5 GFBDRN Cc1cc(Cl)cc(Br)c1OC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000453039055 564444227 /nfs/dbraw/zinc/44/42/27/564444227.db2.gz ODSNXXSQAQMNCQ-LLVKDONJSA-N 0 0 390.621 2.956 20 5 GFBDRN CCOC(=O)[C@H]1CSCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000568994391 564444576 /nfs/dbraw/zinc/44/45/76/564444576.db2.gz UXZWCPJQEGEOID-CYBMUJFWSA-N 0 0 389.271 2.838 20 5 GFBDRN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000479614081 564445210 /nfs/dbraw/zinc/44/52/10/564445210.db2.gz OKKIIEYEHJVGJV-NOZJJQNGSA-N 0 0 385.214 2.771 20 5 GFBDRN COc1cc(CCNc2cc(Br)ccn2)c([N+](=O)[O-])cc1OC ZINC000479829346 564452169 /nfs/dbraw/zinc/45/21/69/564452169.db2.gz OHBUTCRQCVITDX-UHFFFAOYSA-N 0 0 382.214 2.846 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CCN(CC(F)F)CC1 ZINC000569208849 564453799 /nfs/dbraw/zinc/45/37/99/564453799.db2.gz KOSWOJHPHYWLMQ-UHFFFAOYSA-N 0 0 375.803 2.884 20 5 GFBDRN COCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cs1 ZINC000546549268 564459456 /nfs/dbraw/zinc/45/94/56/564459456.db2.gz RBRIMXUKNYZKNM-UHFFFAOYSA-N 0 0 378.435 2.737 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1COc2ccc(F)cc2C1 ZINC000569526176 564467985 /nfs/dbraw/zinc/46/79/85/564467985.db2.gz URUOPUSAGAOAFO-NSHDSACASA-N 0 0 386.788 2.669 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N(C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000569883463 564482355 /nfs/dbraw/zinc/48/23/55/564482355.db2.gz MVMHGOLHFLYFDD-UHFFFAOYSA-N 0 0 398.257 2.761 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516521744 564504244 /nfs/dbraw/zinc/50/42/44/564504244.db2.gz SXFPYMNJGKADGG-NSHDSACASA-N 0 0 394.280 2.760 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000481234523 564506436 /nfs/dbraw/zinc/50/64/36/564506436.db2.gz PHQYGTLYNKKLOJ-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN COCCC1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000481258606 564508375 /nfs/dbraw/zinc/50/83/75/564508375.db2.gz MBBOXBSMPDBFQB-UHFFFAOYSA-N 0 0 393.259 2.595 20 5 GFBDRN CCn1c2ccc(Br)cc2nc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481703433 564520034 /nfs/dbraw/zinc/52/00/34/564520034.db2.gz RVBBVMYVCBKXMD-UHFFFAOYSA-N 0 0 393.201 2.713 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482053453 564532367 /nfs/dbraw/zinc/53/23/67/564532367.db2.gz GOAIJIOFCBUISL-HNNXBMFYSA-N 0 0 397.204 2.960 20 5 GFBDRN CO[C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000482186583 564537427 /nfs/dbraw/zinc/53/74/27/564537427.db2.gz VGPCDESJYNPHCV-JTQLQIEISA-N 0 0 385.207 2.948 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cncc(Cl)c1Br ZINC000571324144 564546582 /nfs/dbraw/zinc/54/65/82/564546582.db2.gz VSAQETDPHQLRIV-UHFFFAOYSA-N 0 0 388.609 2.939 20 5 GFBDRN Cc1c(CC(=O)Nc2ccncc2I)cccc1[N+](=O)[O-] ZINC000483368107 564565816 /nfs/dbraw/zinc/56/58/16/564565816.db2.gz VRMZSKMIMFFBFD-UHFFFAOYSA-N 0 0 397.172 2.506 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCC[C@H](OCCO)C1 ZINC000548693041 564570168 /nfs/dbraw/zinc/57/01/68/564570168.db2.gz SBAQHTBYTNULLC-LBPRGKRZSA-N 0 0 396.241 2.883 20 5 GFBDRN O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000572026644 564578334 /nfs/dbraw/zinc/57/83/34/564578334.db2.gz DAEAEILIRNVWSY-ZDUSSCGKSA-N 0 0 390.193 2.503 20 5 GFBDRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000484258302 564584818 /nfs/dbraw/zinc/58/48/18/564584818.db2.gz VDYCMRCXBUYBAS-AWEZNQCLSA-N 0 0 383.495 2.700 20 5 GFBDRN O=C(N=c1[nH][nH]cc1Br)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519725689 564588441 /nfs/dbraw/zinc/58/84/41/564588441.db2.gz QPVRZLCIZGGKHJ-UHFFFAOYSA-N 0 0 394.210 2.878 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 ZINC000549522452 564596561 /nfs/dbraw/zinc/59/65/61/564596561.db2.gz NJMLEPJNPCIANW-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN CC1(CO)CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000456234566 564596622 /nfs/dbraw/zinc/59/66/22/564596622.db2.gz RTFYBVYITNXXNF-UHFFFAOYSA-N 0 0 385.207 2.542 20 5 GFBDRN CCn1ccnc1[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456346503 564601632 /nfs/dbraw/zinc/60/16/32/564601632.db2.gz HGPNZSQXQZTPGO-JTQLQIEISA-N 0 0 381.230 2.994 20 5 GFBDRN CCO[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000549684208 564602366 /nfs/dbraw/zinc/60/23/66/564602366.db2.gz LTCAQXXXLJDSHB-RAIGVLPGSA-N 0 0 382.218 2.779 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1-c1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000572643806 564603424 /nfs/dbraw/zinc/60/34/24/564603424.db2.gz OYBVMGHCEATIRK-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](CO)C1CCCCC1 ZINC000549915654 564608748 /nfs/dbraw/zinc/60/87/48/564608748.db2.gz URQSOWFVOWDZOJ-GFCCVEGCSA-N 0 0 376.862 2.715 20 5 GFBDRN Cc1ccc(C[C@H](CO)CNC(=O)c2ccc([N+](=O)[O-])o2)cc1Br ZINC000456475889 564609299 /nfs/dbraw/zinc/60/92/99/564609299.db2.gz BRUKCLLFSIUONA-LBPRGKRZSA-N 0 0 397.225 2.840 20 5 GFBDRN CCCN(CC(=O)OC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520784493 564612987 /nfs/dbraw/zinc/61/29/87/564612987.db2.gz LBBKIHGSBHHCOO-UHFFFAOYSA-N 0 0 392.193 2.584 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2CC=CCC2)c1 ZINC000520894891 564615896 /nfs/dbraw/zinc/61/58/96/564615896.db2.gz VHVJPCLNPKGOQE-JTQLQIEISA-N 0 0 375.244 2.992 20 5 GFBDRN Cc1noc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000573345761 564633851 /nfs/dbraw/zinc/63/38/51/564633851.db2.gz WFJYYCUSYLKXOA-UHFFFAOYSA-N 0 0 398.217 2.512 20 5 GFBDRN CCOC(=O)c1nnc(Sc2ncc(Br)cc2[N+](=O)[O-])s1 ZINC000486039623 564637053 /nfs/dbraw/zinc/63/70/53/564637053.db2.gz RBSVMISTXMVZLA-UHFFFAOYSA-N 0 0 391.228 2.932 20 5 GFBDRN CSc1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1[N+](=O)[O-] ZINC000486243882 564645005 /nfs/dbraw/zinc/64/50/05/564645005.db2.gz RJTKTMQGAHSTOW-LBPRGKRZSA-N 0 0 383.495 2.699 20 5 GFBDRN CSc1cccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1[N+](=O)[O-] ZINC000486241312 564645509 /nfs/dbraw/zinc/64/55/09/564645509.db2.gz KDWJDRUOOIONDX-LBPRGKRZSA-N 0 0 383.495 2.604 20 5 GFBDRN O=C(NCC1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551403032 564648719 /nfs/dbraw/zinc/64/87/19/564648719.db2.gz DAECHJAFHOOMFV-UHFFFAOYSA-N 0 0 384.230 2.992 20 5 GFBDRN C[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551426699 564649852 /nfs/dbraw/zinc/64/98/52/564649852.db2.gz BVLBILGOEZQFSI-UWVGGRQHSA-N 0 0 384.230 2.848 20 5 GFBDRN O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(C(F)(F)F)cn1 ZINC000551446581 564650063 /nfs/dbraw/zinc/65/00/63/564650063.db2.gz UXRLZFJDEUTLQP-UHFFFAOYSA-N 0 0 378.104 2.981 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000457286081 564653980 /nfs/dbraw/zinc/65/39/80/564653980.db2.gz TXFVDPXBSJITHI-DGCLKSJQSA-N 0 0 396.241 2.549 20 5 GFBDRN Cc1c(Br)c(NCC2(S(C)(=O)=O)CCCC2)ncc1[N+](=O)[O-] ZINC000573828159 564656429 /nfs/dbraw/zinc/65/64/29/564656429.db2.gz IPORPZCZLADZEA-UHFFFAOYSA-N 0 0 392.275 2.830 20 5 GFBDRN Cc1c(Cl)cccc1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000522850059 564657712 /nfs/dbraw/zinc/65/77/12/564657712.db2.gz XGWAMRYWAMGEKI-UHFFFAOYSA-N 0 0 383.813 2.765 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1I)c1nccs1 ZINC000522972872 564660253 /nfs/dbraw/zinc/66/02/53/564660253.db2.gz CGWWZMJMNXBNMG-UHFFFAOYSA-N 0 0 389.174 2.933 20 5 GFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Oc1cccc(Br)c1 ZINC000525729409 564707440 /nfs/dbraw/zinc/70/74/40/564707440.db2.gz BJJPXVUQUVEGBK-SNVBAGLBSA-N 0 0 382.214 2.893 20 5 GFBDRN Cc1sc2nc([C@@H](C)Sc3ncc([N+](=O)[O-])c(N)n3)nc(N)c2c1C ZINC000576242382 564709418 /nfs/dbraw/zinc/70/94/18/564709418.db2.gz XTFAFGAEGUDERU-SSDOTTSWSA-N 0 0 377.455 2.854 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[S@]1=O ZINC000553400300 564718729 /nfs/dbraw/zinc/71/87/29/564718729.db2.gz VKVOKUXCDYKNPK-YKMWJWQWSA-N 0 0 376.381 2.568 20 5 GFBDRN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000526081738 564719828 /nfs/dbraw/zinc/71/98/28/564719828.db2.gz OHAIAORHOYWGIZ-NSHDSACASA-N 0 0 382.463 2.870 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCCC(F)(F)C1 ZINC000488956676 564725384 /nfs/dbraw/zinc/72/53/84/564725384.db2.gz ZYBGAPRPXFNMTP-SECBINFHSA-N 0 0 375.759 2.672 20 5 GFBDRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000527012115 564726549 /nfs/dbraw/zinc/72/65/49/564726549.db2.gz NUSOWDQEWXVPGM-NSHDSACASA-N 0 0 382.825 2.727 20 5 GFBDRN Nc1cccc(S(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000553856408 564740462 /nfs/dbraw/zinc/74/04/62/564740462.db2.gz OQKKVNVOJRWRRB-UHFFFAOYSA-N 0 0 375.328 2.674 20 5 GFBDRN O=C(N[C@H]1C[C@@H]1C(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000554046361 564749256 /nfs/dbraw/zinc/74/92/56/564749256.db2.gz BPSCNIGMRAEAGB-IUCAKERBSA-N 0 0 382.104 2.583 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CC(F)(F)F)CC1 ZINC000580458538 564759213 /nfs/dbraw/zinc/75/92/13/564759213.db2.gz UAZPYCSZBAXGDW-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN Cc1ccoc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000490339961 564769164 /nfs/dbraw/zinc/76/91/64/564769164.db2.gz VXIUKBJEDYJQBL-UHFFFAOYSA-N 0 0 375.200 2.737 20 5 GFBDRN COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000580795778 564773577 /nfs/dbraw/zinc/77/35/77/564773577.db2.gz AEAPPCDTROZSCW-NSHDSACASA-N 0 0 376.843 2.976 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cnc2nccn2c1 ZINC000554926417 564777266 /nfs/dbraw/zinc/77/72/66/564777266.db2.gz OJAPRGUZTVVGJH-UHFFFAOYSA-N 0 0 390.197 2.638 20 5 GFBDRN NC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000555102636 564783536 /nfs/dbraw/zinc/78/35/36/564783536.db2.gz WLZRLQNXWDAULA-UHFFFAOYSA-N 0 0 389.216 2.974 20 5 GFBDRN O=C(c1ccncc1Br)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409209 564795800 /nfs/dbraw/zinc/79/58/00/564795800.db2.gz QFAWWJLDEDUTLM-UHFFFAOYSA-N 0 0 378.182 2.787 20 5 GFBDRN O=[N+]([O-])c1ccc(Nc2cnn(CCN3CCOCC3)c2)c(Br)c1 ZINC000492193812 564799758 /nfs/dbraw/zinc/79/97/58/564799758.db2.gz BOCUVHXTZUVJPG-UHFFFAOYSA-N 0 0 396.245 2.630 20 5 GFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH]n(C)cc1Br ZINC000581668167 564813741 /nfs/dbraw/zinc/81/37/41/564813741.db2.gz BYJYXKMDJDBHRO-LLVKDONJSA-N 0 0 381.230 2.720 20 5 GFBDRN CCC1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000556518361 564828830 /nfs/dbraw/zinc/82/88/30/564828830.db2.gz YNKKXILFUJWSTA-UHFFFAOYSA-N 0 0 384.230 2.944 20 5 GFBDRN COc1c(S(=O)(=O)NCC=C(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000494424173 564829772 /nfs/dbraw/zinc/82/97/72/564829772.db2.gz IBUAXZOCJQQMBX-UHFFFAOYSA-N 0 0 393.259 2.919 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCO)Cc1cccc(F)c1 ZINC000494438161 564830569 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GFBDRN Cc1noc([C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000557429537 564863635 /nfs/dbraw/zinc/86/36/35/564863635.db2.gz WRCVFWUAPZCXLZ-CYBMUJFWSA-N 0 0 395.213 2.955 20 5 GFBDRN COC(=O)c1cc(C)nc(N(C)Cc2cc(Br)cn2C)c1[N+](=O)[O-] ZINC000557627441 564870566 /nfs/dbraw/zinc/87/05/66/564870566.db2.gz VBBKUJSNDIQKCC-UHFFFAOYSA-N 0 0 397.229 2.822 20 5 GFBDRN CCN(CC(=O)N1CCCCCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000557761090 564875235 /nfs/dbraw/zinc/87/52/35/564875235.db2.gz DJZHHSVFNYPILA-UHFFFAOYSA-N 0 0 385.262 2.981 20 5 GFBDRN Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000530436796 564881755 /nfs/dbraw/zinc/88/17/55/564881755.db2.gz FZTWOAFVPZGBKE-JTQLQIEISA-N 0 0 377.260 2.537 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)NCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000557884834 564883401 /nfs/dbraw/zinc/88/34/01/564883401.db2.gz XLOWFGNFHACTIH-LLVKDONJSA-N 0 0 396.245 2.923 20 5 GFBDRN Cn1cnc2c1nccc2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557926555 564885578 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CC(C)(C)n1ncnc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000501195561 564973887 /nfs/dbraw/zinc/97/38/87/564973887.db2.gz FCIPYZWPDKSAHN-UHFFFAOYSA-N 0 0 396.245 2.563 20 5 GFBDRN Cc1nnc2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cn12 ZINC000501272805 564975164 /nfs/dbraw/zinc/97/51/64/564975164.db2.gz WUGGMGBDTSCDEV-UHFFFAOYSA-N 0 0 376.170 2.961 20 5 GFBDRN CCc1cnccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534301393 564985478 /nfs/dbraw/zinc/98/54/78/564985478.db2.gz HHKZRFAELXCRQN-UHFFFAOYSA-N 0 0 397.172 2.831 20 5 GFBDRN CS(=O)(=O)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000561337332 564991597 /nfs/dbraw/zinc/99/15/97/564991597.db2.gz CJEUBFVYNKDNKV-UHFFFAOYSA-N 0 0 378.435 2.756 20 5 GFBDRN CN(CCOc1ccc(Br)cc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000502468237 564999687 /nfs/dbraw/zinc/99/96/87/564999687.db2.gz XKFYKNMQACXCRL-UHFFFAOYSA-N 0 0 392.213 2.915 20 5 GFBDRN Cc1cscc1-c1noc(-c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)n1 ZINC000561926846 565013638 /nfs/dbraw/zinc/01/36/38/565013638.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000537354326 565057287 /nfs/dbraw/zinc/05/72/87/565057287.db2.gz WKCNCUHTTGSFRX-CYBMUJFWSA-N 0 0 381.841 2.805 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000585759058 565109082 /nfs/dbraw/zinc/10/90/82/565109082.db2.gz SMPGNMXWLVVHRM-MRVPVSSYSA-N 0 0 392.156 2.600 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H](O)CC(F)(F)C1 ZINC000585808774 565112391 /nfs/dbraw/zinc/11/23/91/565112391.db2.gz MYXVDBREONSUKL-JTQLQIEISA-N 0 0 380.145 2.591 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)c1 ZINC000586772011 565115625 /nfs/dbraw/zinc/11/56/25/565115625.db2.gz HOOHCXXQESXVGQ-NOZJJQNGSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000588036420 565124093 /nfs/dbraw/zinc/12/40/93/565124093.db2.gz KECNOXDNPYFACX-NSHDSACASA-N 0 0 394.280 2.906 20 5 GFBDRN Cc1cc(N2C[C@H](N3CCOCC3)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000588070173 565125469 /nfs/dbraw/zinc/12/54/69/565125469.db2.gz IQBOYJVAHPPOQF-QWHCGFSZSA-N 0 0 384.274 2.965 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC000588900677 565144326 /nfs/dbraw/zinc/14/43/26/565144326.db2.gz LEKHMQBKNWGRTD-UHFFFAOYSA-N 0 0 381.237 2.703 20 5 GFBDRN CCOc1ccc(C(=O)N(C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000588938581 565144855 /nfs/dbraw/zinc/14/48/55/565144855.db2.gz LMSQARXJEMGSOC-UHFFFAOYSA-N 0 0 397.229 2.725 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000588972834 565146914 /nfs/dbraw/zinc/14/69/14/565146914.db2.gz IAKJKJUZJVHTMQ-LBPRGKRZSA-N 0 0 387.889 2.542 20 5 GFBDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000589017269 565147143 /nfs/dbraw/zinc/14/71/43/565147143.db2.gz PLELAENFSIRJSE-ZDUSSCGKSA-N 0 0 379.214 2.972 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1CC(F)F ZINC000589037482 565147921 /nfs/dbraw/zinc/14/79/21/565147921.db2.gz YUPPJHSJDSDBEJ-VIFPVBQESA-N 0 0 379.157 2.854 20 5 GFBDRN C[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])n1cc(Br)cn1 ZINC000592578680 565283486 /nfs/dbraw/zinc/28/34/86/565283486.db2.gz OBMIPNLBDPPCIY-NSHDSACASA-N 0 0 396.245 2.733 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(Br)s1 ZINC000618263527 565283761 /nfs/dbraw/zinc/28/37/61/565283761.db2.gz FHIRQUQUVOSEMQ-UHFFFAOYSA-N 0 0 382.199 2.620 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@]2(CCSC2)C1 ZINC000592671322 565288849 /nfs/dbraw/zinc/28/88/49/565288849.db2.gz ZRDLUUUUORBFMB-CQSZACIVSA-N 0 0 376.356 2.962 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOc2c(Cl)cccc21 ZINC000619467843 565342508 /nfs/dbraw/zinc/34/25/08/565342508.db2.gz IVFYMDBOXYZMKX-UHFFFAOYSA-N 0 0 384.797 2.845 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000619497828 565344685 /nfs/dbraw/zinc/34/46/85/565344685.db2.gz UUMJMBSCKDKXBX-NXEZZACHSA-N 0 0 382.360 2.955 20 5 GFBDRN COc1ccc(Cl)cc1C(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593611077 565347182 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20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000377857005 563488626 /nfs/dbraw/zinc/48/86/26/563488626.db2.gz QLNRVGKVADAJCE-OAHLLOKOSA-N 0 0 376.862 2.586 20 5 GFBDRN CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000428683359 563499879 /nfs/dbraw/zinc/49/98/79/563499879.db2.gz FHCNHJGEIRZJQI-UHFFFAOYSA-N 0 0 383.813 2.973 20 5 GFBDRN Cc1nc(NC[C@H](CO)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000428684728 563500166 /nfs/dbraw/zinc/50/01/66/563500166.db2.gz WNHKXVYAHCTXJC-GFCCVEGCSA-N 0 0 380.242 2.746 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000378289073 563502106 /nfs/dbraw/zinc/50/21/06/563502106.db2.gz YGCATHWTJPZBDB-ZDUSSCGKSA-N 0 0 388.873 2.994 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](n3cc4ccccc4n3)C2)s1 ZINC000378565378 563511662 /nfs/dbraw/zinc/51/16/62/563511662.db2.gz DQRWIFDLWILBFN-GFCCVEGCSA-N 0 0 378.435 2.642 20 5 GFBDRN COC(=O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000285291091 563513169 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Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000430314777 563540995 /nfs/dbraw/zinc/54/09/95/563540995.db2.gz ZXIVHIHDFTVWIC-RKDXNWHRSA-N 0 0 384.230 2.719 20 5 GFBDRN C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@@]1=O ZINC000430371279 563542193 /nfs/dbraw/zinc/54/21/93/563542193.db2.gz WRTYVGCLOBJTJW-FTJNGKRUSA-N 0 0 379.463 2.701 20 5 GFBDRN Cc1noc(C)c1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000430351073 563542675 /nfs/dbraw/zinc/54/26/75/563542675.db2.gz ARXIUBGPMADNTB-UHFFFAOYSA-N 0 0 397.185 2.848 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000331339568 563546384 /nfs/dbraw/zinc/54/63/84/563546384.db2.gz MKBYVINOAGTWKN-SNVBAGLBSA-N 0 0 395.300 2.873 20 5 GFBDRN O=C(Cc1ccc(Br)cc1O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000431019106 563551458 /nfs/dbraw/zinc/55/14/58/563551458.db2.gz KVJADLGYZYIGPD-UHFFFAOYSA-N 0 0 394.225 2.834 20 5 GFBDRN CC(C)[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nncn1C ZINC000286185115 563551866 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GFBDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409554791 563565074 /nfs/dbraw/zinc/56/50/74/563565074.db2.gz LVPNYQQUTMHWGT-GXSJLCMTSA-N 0 0 381.376 2.743 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1Br ZINC000331975330 563569680 /nfs/dbraw/zinc/56/96/80/563569680.db2.gz LQWHGGUQFAFPOB-UHFFFAOYSA-N 0 0 379.214 2.841 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)cc1Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000286677386 563569809 /nfs/dbraw/zinc/56/98/09/563569809.db2.gz FRYHPFHLLCEGAN-QMMMGPOBSA-N 0 0 389.842 2.760 20 5 GFBDRN O=C(N=c1cc(-c2ccncc2)[nH][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431853378 563569799 /nfs/dbraw/zinc/56/97/99/563569799.db2.gz HJTYLDAYAJVMGW-UHFFFAOYSA-N 0 0 388.181 2.817 20 5 GFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)NCC(F)(F)Br)cc1OC ZINC000286759019 563573345 /nfs/dbraw/zinc/57/33/45/563573345.db2.gz PEDVZPFBECDGRH-UHFFFAOYSA-N 0 0 383.145 2.720 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000332081317 563574892 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379.360 2.562 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NCCOCC(F)(F)C(F)F ZINC000433809154 563619626 /nfs/dbraw/zinc/61/96/26/563619626.db2.gz ICYHHMVOSFTTPG-UHFFFAOYSA-N 0 0 376.104 2.503 20 5 GFBDRN C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000288417413 563642227 /nfs/dbraw/zinc/64/22/27/563642227.db2.gz JMBYYDQCZLBXJE-SSDOTTSWSA-N 0 0 375.332 2.555 20 5 GFBDRN C[C@H]1[C@H](CO)CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000412094570 563647799 /nfs/dbraw/zinc/64/77/99/563647799.db2.gz SGWIRSMHQYEVEC-JQWIXIFHSA-N 0 0 390.221 2.792 20 5 GFBDRN Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000288654465 563651914 /nfs/dbraw/zinc/65/19/14/563651914.db2.gz YIFPRMGZLPLHMT-JTQLQIEISA-N 0 0 377.260 2.902 20 5 GFBDRN Cc1cc(NC[C@H]2CCCS(=O)(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000288654468 563651944 /nfs/dbraw/zinc/65/19/44/563651944.db2.gz YIFPRMGZLPLHMT-SNVBAGLBSA-N 0 0 377.260 2.902 20 5 GFBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCO[C@H](CF)C1 ZINC000412432613 563657076 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563701502 /nfs/dbraw/zinc/70/15/02/563701502.db2.gz YSOVTRIBVCNGFO-WDEREUQCSA-N 0 0 396.197 2.998 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cncn1Cc1ccccc1 ZINC000438303579 563703504 /nfs/dbraw/zinc/70/35/04/563703504.db2.gz KDQGOCDKAWBSMJ-UHFFFAOYSA-N 0 0 389.209 2.812 20 5 GFBDRN C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000290310064 563704466 /nfs/dbraw/zinc/70/44/66/563704466.db2.gz UNAVYWALKUIIFG-MGCOHNPYSA-N 0 0 384.230 2.991 20 5 GFBDRN CCC[C@@]1(C)C(=O)NCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000438635200 563708727 /nfs/dbraw/zinc/70/87/27/563708727.db2.gz SSRIBDREKRCVLP-INIZCTEOSA-N 0 0 385.873 2.858 20 5 GFBDRN CCn1cc(S(=O)(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000438816280 563711732 /nfs/dbraw/zinc/71/17/32/563711732.db2.gz YYTPZVAQCFUOMZ-MNOVXSKESA-N 0 0 382.467 2.889 20 5 GFBDRN Cc1cc(Br)cc(S(=O)(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000438971006 563714619 /nfs/dbraw/zinc/71/46/19/563714619.db2.gz IDSFIIDTJXVISW-UHFFFAOYSA-N 0 0 386.227 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GFBDRN CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410891 563824561 /nfs/dbraw/zinc/82/45/61/563824561.db2.gz YGMXXOMYKUPZQC-JQWIXIFHSA-N 0 0 382.360 2.850 20 5 GFBDRN CO[C@H](C)c1nc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416418526 563826501 /nfs/dbraw/zinc/82/65/01/563826501.db2.gz RDQHULAEFQARCQ-LLVKDONJSA-N 0 0 385.467 2.854 20 5 GFBDRN C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416441624 563829643 /nfs/dbraw/zinc/82/96/43/563829643.db2.gz FFJQUNYQOVJIFM-GXSJLCMTSA-N 0 0 382.360 2.538 20 5 GFBDRN Cc1c(Br)c(N2CCC3(CCN(C)C3=O)CC2)ncc1[N+](=O)[O-] ZINC000444867129 563838495 /nfs/dbraw/zinc/83/84/95/563838495.db2.gz CZUKDVNFSVVABT-UHFFFAOYSA-N 0 0 383.246 2.509 20 5 GFBDRN COc1cc(OC)c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000445211009 563845335 /nfs/dbraw/zinc/84/53/35/563845335.db2.gz GVMICLUEXOSJKA-UHFFFAOYSA-N 0 0 398.169 2.727 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000367543822 563847531 /nfs/dbraw/zinc/84/75/31/563847531.db2.gz GFVLWDDWFQVGOC-JOYOIKCWSA-N 0 0 378.809 2.577 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(CCc2cc(Br)cs2)n1 ZINC000445576207 563850873 /nfs/dbraw/zinc/85/08/73/563850873.db2.gz UXUULAOSGYURKJ-UHFFFAOYSA-N 0 0 384.215 2.988 20 5 GFBDRN C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CS1 ZINC000416593913 563851388 /nfs/dbraw/zinc/85/13/88/563851388.db2.gz PNASSULBIKWRDX-YUMQZZPRSA-N 0 0 381.273 2.530 20 5 GFBDRN O=C(NCCc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000367831817 563857203 /nfs/dbraw/zinc/85/72/03/563857203.db2.gz NRKHTMOIQBPUGQ-UHFFFAOYSA-N 0 0 393.241 2.863 20 5 GFBDRN Cc1c(NC(=O)N2CCO[C@@H](CF)C2)cc(Br)cc1[N+](=O)[O-] ZINC000417077514 563867738 /nfs/dbraw/zinc/86/77/38/563867738.db2.gz PLJRKCCWQKGJAV-JTQLQIEISA-N 0 0 376.182 2.868 20 5 GFBDRN NS(=O)(=O)c1cccc(N2CCS[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000368282777 563867813 /nfs/dbraw/zinc/86/78/13/563867813.db2.gz GWFLQUFRCFZZBU-CQSZACIVSA-N 0 0 379.463 2.537 20 5 GFBDRN Cc1ncc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000447028102 563872723 /nfs/dbraw/zinc/87/27/23/563872723.db2.gz MYLIZEHNRCXHSP-UHFFFAOYSA-N 0 0 392.256 2.601 20 5 GFBDRN O=[N+]([O-])c1cnn([C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)c1 ZINC000368999692 563884033 /nfs/dbraw/zinc/88/40/33/563884033.db2.gz FYGWUDJMDOJREX-JTQLQIEISA-N 0 0 397.189 2.699 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc(Br)cn1 ZINC000471276600 564191462 /nfs/dbraw/zinc/19/14/62/564191462.db2.gz JSEQJSPQTKZGQQ-UHFFFAOYSA-N 0 0 397.229 2.773 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000538645572 564195158 /nfs/dbraw/zinc/19/51/58/564195158.db2.gz IQHSYRBFEYWZRR-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000471557349 564197709 /nfs/dbraw/zinc/19/77/09/564197709.db2.gz CEKRTTLHKTXRNW-NSHDSACASA-N 0 0 394.225 2.705 20 5 GFBDRN O=C(NCc1n[nH]cc1Br)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000538712007 564198096 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O=[N+]([O-])c1cccc2c1ccnc2Sc1nnc(N2CCOCC2)s1 ZINC000450277648 564224907 /nfs/dbraw/zinc/22/49/07/564224907.db2.gz PPUQLZSCEZXUMK-UHFFFAOYSA-N 0 0 375.435 2.982 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000507413332 564228067 /nfs/dbraw/zinc/22/80/67/564228067.db2.gz KGGXGIPBTDVOTE-UHFFFAOYSA-N 0 0 384.797 2.513 20 5 GFBDRN O=C(NCCSCC(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000539908232 564232892 /nfs/dbraw/zinc/23/28/92/564232892.db2.gz JZRYCGXCEPNHFF-UHFFFAOYSA-N 0 0 375.328 2.874 20 5 GFBDRN CS(=O)(=O)C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450540643 564237965 /nfs/dbraw/zinc/23/79/65/564237965.db2.gz OKKSBONWBSDHJF-GFCCVEGCSA-N 0 0 381.479 2.979 20 5 GFBDRN CNS(=O)(=O)c1ccc(NC[C@@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000450554666 564238468 /nfs/dbraw/zinc/23/84/68/564238468.db2.gz DVCPDIKLWKXAOZ-LLVKDONJSA-N 0 0 379.463 2.804 20 5 GFBDRN CS[C@H]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000450680193 564243945 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Cc1cc(Br)ccc1CS(=O)(=O)Cc1c([N+](=O)[O-])ncn1C ZINC000540857671 564258588 /nfs/dbraw/zinc/25/85/88/564258588.db2.gz BEWHSFGZMHFGBL-UHFFFAOYSA-N 0 0 388.243 2.514 20 5 GFBDRN CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000474301514 564273565 /nfs/dbraw/zinc/27/35/65/564273565.db2.gz CXDPKTSMPWBRHH-AWEZNQCLSA-N 0 0 381.479 2.551 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nc(-c2cccs2)no1 ZINC000474351884 564275259 /nfs/dbraw/zinc/27/52/59/564275259.db2.gz GGBUZTHIFFMLNP-UHFFFAOYSA-N 0 0 383.183 2.679 20 5 GFBDRN CS[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000541449124 564280159 /nfs/dbraw/zinc/28/01/59/564280159.db2.gz UUOCBGHUGJMLDC-GFCCVEGCSA-N 0 0 387.889 2.872 20 5 GFBDRN C[C@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C[C@H]1O ZINC000509310631 564292266 /nfs/dbraw/zinc/29/22/66/564292266.db2.gz MUIHJRBXHFIBAG-ISVAXAHUSA-N 0 0 385.207 2.540 20 5 GFBDRN Cc1c(Br)c(=O)n(CCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542217441 564304877 /nfs/dbraw/zinc/30/48/77/564304877.db2.gz BAMFBKXFMVKOPC-UHFFFAOYSA-N 0 0 398.188 2.995 20 5 GFBDRN Cc1c(Br)c(NCCc2cn3ccccc3n2)ncc1[N+](=O)[O-] ZINC000542508698 564316202 /nfs/dbraw/zinc/31/62/02/564316202.db2.gz MRFDPRGOVNEZQB-UHFFFAOYSA-N 0 0 376.214 2.785 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1F ZINC000542587974 564319458 /nfs/dbraw/zinc/31/94/58/564319458.db2.gz YXVAFFLCCHEFLO-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000543150128 564339908 /nfs/dbraw/zinc/33/99/08/564339908.db2.gz QSZVNRXJSYMIQE-UHFFFAOYSA-N 0 0 380.447 2.753 20 5 GFBDRN CN([C@H](CO)c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451748549 564347615 /nfs/dbraw/zinc/34/76/15/564347615.db2.gz YROLEBQYNGCYIL-MRXNPFEDSA-N 0 0 384.841 2.743 20 5 GFBDRN Cc1nnccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000543458686 564351289 /nfs/dbraw/zinc/35/12/89/564351289.db2.gz JTDDDDWVKQWHTI-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000451789145 564352168 /nfs/dbraw/zinc/35/21/68/564352168.db2.gz LPYYZPBALDTKIP-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN COC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000451817240 564355051 /nfs/dbraw/zinc/35/50/51/564355051.db2.gz ZACNNHQUHDBKDG-CYBMUJFWSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000451854801 564359236 /nfs/dbraw/zinc/35/92/36/564359236.db2.gz NRPZLZUXYVARLS-CJNGLKHVSA-N 0 0 388.873 2.632 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(Cn2ccnn2)CC1 ZINC000511149407 564360230 /nfs/dbraw/zinc/36/02/30/564360230.db2.gz BKHCORKIYGVTGG-UHFFFAOYSA-N 0 0 394.229 2.501 20 5 GFBDRN O=C(CN1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451897639 564363384 /nfs/dbraw/zinc/36/33/84/564363384.db2.gz IBWDYAWIXUDKCC-MRXNPFEDSA-N 0 0 398.257 2.798 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCc1ccnc2ccnn21 ZINC000477085402 564363830 /nfs/dbraw/zinc/36/38/30/564363830.db2.gz NTVZUHSUUIFYDA-UHFFFAOYSA-N 0 0 399.208 2.982 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCOC[C@@H]2C2CC2)c1 ZINC000567282929 564363948 /nfs/dbraw/zinc/36/39/48/564363948.db2.gz PZBRZKQLFPZSGO-CQSZACIVSA-N 0 0 388.205 2.810 20 5 GFBDRN Cc1cc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])on1 ZINC000511414463 564371583 /nfs/dbraw/zinc/37/15/83/564371583.db2.gz LQCPIHSPFQIRCA-UHFFFAOYSA-N 0 0 380.209 2.719 20 5 GFBDRN C[C@@H](N1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000544095112 564374234 /nfs/dbraw/zinc/37/42/34/564374234.db2.gz KRZGHGWTMQXUNT-LLVKDONJSA-N 0 0 377.388 2.782 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000477616057 564382158 /nfs/dbraw/zinc/38/21/58/564382158.db2.gz LQEVYEAUWNAIIV-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452055032 564387673 /nfs/dbraw/zinc/38/76/73/564387673.db2.gz BBIFFBOGOSHYQV-VXGBXAGGSA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000544548319 564388823 /nfs/dbraw/zinc/38/88/23/564388823.db2.gz CWVGJNOXXRGATQ-UHFFFAOYSA-N 0 0 383.813 2.844 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000477930141 564390927 /nfs/dbraw/zinc/39/09/27/564390927.db2.gz VLYZARCUCYVXDT-XPTSAGLGSA-N 0 0 397.229 2.597 20 5 GFBDRN NS(=O)(=O)c1cccc(NCc2csc(Br)c2)c1[N+](=O)[O-] ZINC000544676946 564393667 /nfs/dbraw/zinc/39/36/67/564393667.db2.gz QPMZLGDORBUXNI-UHFFFAOYSA-N 0 0 392.256 2.678 20 5 GFBDRN COc1cc(Br)c(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1OC ZINC000544747457 564397559 /nfs/dbraw/zinc/39/75/59/564397559.db2.gz WSHXDWFYUHRPRM-UHFFFAOYSA-N 0 0 397.185 2.604 20 5 GFBDRN O=[N+]([O-])c1cnn(Cc2nc(Cc3cc(Br)ccc3F)no2)c1 ZINC000544956746 564405851 /nfs/dbraw/zinc/40/58/51/564405851.db2.gz YBINNZMMUHGWGS-UHFFFAOYSA-N 0 0 382.149 2.715 20 5 GFBDRN CO[C@H](c1noc(-c2nn(C)cc2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000545099702 564409007 /nfs/dbraw/zinc/40/90/07/564409007.db2.gz KIXPSQOPHXYTBG-LBPRGKRZSA-N 0 0 394.185 2.877 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000452693717 564426612 /nfs/dbraw/zinc/42/66/12/564426612.db2.gz OYGZMUPPSJEVEV-CYBMUJFWSA-N 0 0 379.157 2.508 20 5 GFBDRN COc1ccc(Br)cc1-c1noc(Cn2cc([N+](=O)[O-])nc2C)n1 ZINC000545639131 564430014 /nfs/dbraw/zinc/43/00/14/564430014.db2.gz YSOMJKPTOOLNCW-UHFFFAOYSA-N 0 0 394.185 2.969 20 5 GFBDRN CNS(=O)(=O)c1csc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1 ZINC000545696523 564430800 /nfs/dbraw/zinc/43/08/00/564430800.db2.gz VKZCHGSBPNULGT-UHFFFAOYSA-N 0 0 380.407 2.590 20 5 GFBDRN C[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000479237507 564432852 /nfs/dbraw/zinc/43/28/52/564432852.db2.gz JHEAVPPALCFNEU-SECBINFHSA-N 0 0 378.834 2.647 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)c1 ZINC000545829873 564433248 /nfs/dbraw/zinc/43/32/48/564433248.db2.gz ONCOKTXVCPCBFE-XMMPIXPASA-N 0 0 382.463 2.891 20 5 GFBDRN O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000479338385 564436321 /nfs/dbraw/zinc/43/63/21/564436321.db2.gz AENBQEDYECKXCO-UHFFFAOYSA-N 0 0 396.172 2.865 20 5 GFBDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513766519 564438367 /nfs/dbraw/zinc/43/83/67/564438367.db2.gz VYSQDPWPATZCLN-VIFPVBQESA-N 0 0 382.360 2.849 20 5 GFBDRN O=C1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CN1C1CC1 ZINC000479442174 564440609 /nfs/dbraw/zinc/44/06/09/564440609.db2.gz VLZCONHARIOPJI-SNVBAGLBSA-N 0 0 391.225 2.503 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000513841676 564441283 /nfs/dbraw/zinc/44/12/83/564441283.db2.gz VBHRJNPJWONHFI-AWEZNQCLSA-N 0 0 378.878 2.878 20 5 GFBDRN C[C@H](O)[C@@H]1CCCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569173411 564451486 /nfs/dbraw/zinc/45/14/86/564451486.db2.gz RSGVBKUUWBEIML-HZMBPMFUSA-N 0 0 390.221 2.935 20 5 GFBDRN C[C@@H](NCc1nn(C)cc1I)c1cccc([N+](=O)[O-])c1 ZINC000453360246 564455260 /nfs/dbraw/zinc/45/52/60/564455260.db2.gz JWSLWSGFGWVESX-SECBINFHSA-N 0 0 386.193 2.784 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccon3)no2)c(I)c1 ZINC000546490341 564457236 /nfs/dbraw/zinc/45/72/36/564457236.db2.gz FAWFCXPDIIHRME-UHFFFAOYSA-N 0 0 384.089 2.904 20 5 GFBDRN COc1cc(C(C)=O)ccc1Sc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000546757067 564466853 /nfs/dbraw/zinc/46/68/53/564466853.db2.gz DXOWVTBHZCOGIQ-UHFFFAOYSA-N 0 0 382.419 2.605 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(I)cc2)no1 ZINC000547045662 564477158 /nfs/dbraw/zinc/47/71/58/564477158.db2.gz BVVRNNVWCPTQHS-UHFFFAOYSA-N 0 0 397.132 2.650 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CCS(=O)(=O)C2)no1 ZINC000547116851 564477836 /nfs/dbraw/zinc/47/78/36/564477836.db2.gz UIJNXRUNDPRDFD-RKDXNWHRSA-N 0 0 387.801 2.673 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(C)OCCc2sccc21 ZINC000569891269 564482075 /nfs/dbraw/zinc/48/20/75/564482075.db2.gz DEEKFRQCDALEQK-INIZCTEOSA-N 0 0 382.463 2.731 20 5 GFBDRN CCS[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000481064764 564502257 /nfs/dbraw/zinc/50/22/57/564502257.db2.gz VPBFMDZKKIVDOC-SNVBAGLBSA-N 0 0 386.455 2.613 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000454207232 564502791 /nfs/dbraw/zinc/50/27/91/564502791.db2.gz WCPJWHAZVAJYAA-UHFFFAOYSA-N 0 0 380.710 2.834 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000481763059 564522618 /nfs/dbraw/zinc/52/26/18/564522618.db2.gz CJEUFNLUSKNHPL-RKDXNWHRSA-N 0 0 389.271 2.647 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCn1cc(Br)cn1 ZINC000482130108 564534958 /nfs/dbraw/zinc/53/49/58/564534958.db2.gz LAZYCVLXAUTHTB-UHFFFAOYSA-N 0 0 382.218 2.992 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000482214183 564538248 /nfs/dbraw/zinc/53/82/48/564538248.db2.gz UEURIBLAFRJIBP-ZETCQYMHSA-N 0 0 375.332 2.529 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](CO)c1cccnc1 ZINC000571198060 564540221 /nfs/dbraw/zinc/54/02/21/564540221.db2.gz SHFUJVYDPKIMMY-LBPRGKRZSA-N 0 0 394.225 2.567 20 5 GFBDRN Cn1cc([C@H]2CSCCN2C(=O)CSc2ccccc2[N+](=O)[O-])cn1 ZINC000482403978 564542636 /nfs/dbraw/zinc/54/26/36/564542636.db2.gz VBLQCOAIBALMDM-CQSZACIVSA-N 0 0 378.479 2.737 20 5 GFBDRN CCC[C@H](C)C(=O)NCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000482693984 564548974 /nfs/dbraw/zinc/54/89/74/564548974.db2.gz NTKZQMSKDARRDV-JTQLQIEISA-N 0 0 386.246 2.640 20 5 GFBDRN COC[C@](C)(O)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000455351952 564549900 /nfs/dbraw/zinc/54/99/00/564549900.db2.gz IZANKMDCQSYZER-CQSZACIVSA-N 0 0 390.234 2.575 20 5 GFBDRN CC(C)(CO)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000572168278 564583350 /nfs/dbraw/zinc/58/33/50/564583350.db2.gz OPZCCZZNISKYEZ-LBPRGKRZSA-N 0 0 376.481 2.756 20 5 GFBDRN C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000456035964 564585058 /nfs/dbraw/zinc/58/50/58/564585058.db2.gz JHHPICOWVLHTFJ-SECBINFHSA-N 0 0 382.360 2.849 20 5 GFBDRN CC(C)(C(=O)NCc1cc(Br)ccc1F)n1cc([N+](=O)[O-])cn1 ZINC000549098808 564586475 /nfs/dbraw/zinc/58/64/75/564586475.db2.gz MUBXUFHATYFIOT-UHFFFAOYSA-N 0 0 385.193 2.744 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1(CF)CCOCC1 ZINC000456063544 564586875 /nfs/dbraw/zinc/58/68/75/564586875.db2.gz SLCOSWJWHNVHIY-UHFFFAOYSA-N 0 0 375.194 2.535 20 5 GFBDRN Cc1c(CNC(=O)Nc2cc(Br)cn(C)c2=O)cccc1[N+](=O)[O-] ZINC000484527095 564590269 /nfs/dbraw/zinc/59/02/69/564590269.db2.gz OPKOKCSVASRFQT-UHFFFAOYSA-N 0 0 395.213 2.686 20 5 GFBDRN C[C@@H](CCc1ccc2c(c1)OCO2)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000519891970 564595411 /nfs/dbraw/zinc/59/54/11/564595411.db2.gz FQWOJQDAWOQLBJ-JTQLQIEISA-N 0 0 384.435 2.685 20 5 GFBDRN CCOC(=O)C(C)(C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000549602241 564599348 /nfs/dbraw/zinc/59/93/48/564599348.db2.gz VOQVPBQUNIEDAA-UHFFFAOYSA-N 0 0 399.252 2.864 20 5 GFBDRN O=C(NCc1cc(F)c(F)cc1Br)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520274798 564600844 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COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)o1 ZINC000550721393 564629963 /nfs/dbraw/zinc/62/99/63/564629963.db2.gz WMZIBKUTVIFJSJ-UHFFFAOYSA-N 0 0 397.181 2.975 20 5 GFBDRN COCCO[C@@H]1COCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000486031648 564636876 /nfs/dbraw/zinc/63/68/76/564636876.db2.gz WLZPYHQXYONEPC-GXTWGEPZSA-N 0 0 375.219 2.590 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(Br)cn1 ZINC000551310955 564645769 /nfs/dbraw/zinc/64/57/69/564645769.db2.gz MSIWYVHXCSLVDK-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccnc(N2CCCC2)n1 ZINC000551327805 564646795 /nfs/dbraw/zinc/64/67/95/564646795.db2.gz FPTUNOAQFGSLGY-UHFFFAOYSA-N 0 0 392.213 3.000 20 5 GFBDRN O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000522423609 564651094 /nfs/dbraw/zinc/65/10/94/564651094.db2.gz VMNKESJVPSCBIC-UHFFFAOYSA-N 0 0 392.209 2.920 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC12CCCC2 ZINC000551757844 564662290 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CO[C@@H]1COCC[C@@H]1CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840579382 661171989 /nfs/dbraw/zinc/17/19/89/661171989.db2.gz DFQBJBXIHTXJFE-ZWNOBZJWSA-N 0 0 388.214 2.842 20 5 GFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000739579932 655693870 /nfs/dbraw/zinc/69/38/70/655693870.db2.gz JHTGPHIFOMAUMQ-UHFFFAOYSA-N 0 0 382.825 2.593 20 5 GFBDRN CC1(C)CN=C(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)S1 ZINC000740718514 655698507 /nfs/dbraw/zinc/69/85/07/655698507.db2.gz XEXRWKPWLPRQNK-UHFFFAOYSA-N 0 0 382.873 2.887 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000741054885 655702494 /nfs/dbraw/zinc/70/24/94/655702494.db2.gz ACWNWZOVAPDEDI-GXSJLCMTSA-N 0 0 375.834 2.726 20 5 GFBDRN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742274577 655713477 /nfs/dbraw/zinc/71/34/77/655713477.db2.gz DGSKVGUSROQDOE-VHSXEESVSA-N 0 0 393.259 2.545 20 5 GFBDRN CN(c1ccc(Br)nc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000742335385 655716389 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GFBDRN O=C(OCC1CCSCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000747142223 655772893 /nfs/dbraw/zinc/77/28/93/655772893.db2.gz KHHQQDDIZKQMOL-LBPRGKRZSA-N 0 0 384.479 2.947 20 5 GFBDRN CSc1nc2ccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2s1 ZINC000747719904 655782279 /nfs/dbraw/zinc/78/22/79/655782279.db2.gz ZFAYSSPSBCLPFH-UHFFFAOYSA-N 0 0 376.419 2.727 20 5 GFBDRN O=C(COC(=O)c1csc2cncn21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000749378468 655804014 /nfs/dbraw/zinc/80/40/14/655804014.db2.gz WNVRWCPFXBQLPP-UHFFFAOYSA-N 0 0 380.769 2.753 20 5 GFBDRN Cc1cc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n(C)n1 ZINC000750648658 655816050 /nfs/dbraw/zinc/81/60/50/655816050.db2.gz YLRDALUFHZPHMV-UHFFFAOYSA-N 0 0 394.229 2.989 20 5 GFBDRN COC(=O)c1c(F)cccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000751044907 655820810 /nfs/dbraw/zinc/82/08/10/655820810.db2.gz RZOGEKKHBQSYCH-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751390813 655826244 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GFBDRN NC(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000754572447 655869850 /nfs/dbraw/zinc/86/98/50/655869850.db2.gz ISWMGOOBDOUVEL-UHFFFAOYSA-N 0 0 378.182 2.637 20 5 GFBDRN NC(=O)[C@H](Cc1ccccc1)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000754730398 655872131 /nfs/dbraw/zinc/87/21/31/655872131.db2.gz HYBHUCAHWPMLCP-AWEZNQCLSA-N 0 0 393.193 2.611 20 5 GFBDRN CCn1cc(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cn1 ZINC000755008970 655878486 /nfs/dbraw/zinc/87/84/86/655878486.db2.gz QTRYZEXHGGMFHC-UHFFFAOYSA-N 0 0 385.193 2.985 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000755126875 655879948 /nfs/dbraw/zinc/87/99/48/655879948.db2.gz SPBXQERDZFTENF-ZLDLUXBVSA-N 0 0 388.536 2.870 20 5 GFBDRN CC(=O)c1ccc2c(c1)CCN(Cn1cc(Br)c([N+](=O)[O-])n1)CC2 ZINC000755773604 655888757 /nfs/dbraw/zinc/88/87/57/655888757.db2.gz IIHRZLBKOZMTJH-UHFFFAOYSA-N 0 0 393.241 2.815 20 5 GFBDRN C[C@H](OC(=O)c1cccnc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000756246891 655897520 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C[C@@H](COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)CS(C)(=O)=O ZINC000758008141 655921396 /nfs/dbraw/zinc/92/13/96/655921396.db2.gz VKGIPCBORWVVCQ-JTQLQIEISA-N 0 0 384.435 2.556 20 5 GFBDRN CN(Cc1cccc(C(N)=O)c1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000758124138 655923369 /nfs/dbraw/zinc/92/33/69/655923369.db2.gz DOKTVBANVSPCCQ-UHFFFAOYSA-N 0 0 392.209 2.728 20 5 GFBDRN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000758822499 655942060 /nfs/dbraw/zinc/94/20/60/655942060.db2.gz SGRRHNFEULOCBP-SECBINFHSA-N 0 0 383.177 2.507 20 5 GFBDRN COc1cc(C=O)cc(Cl)c1OS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000758975453 655944316 /nfs/dbraw/zinc/94/43/16/655944316.db2.gz PPPQNSFOIKFVCR-UHFFFAOYSA-N 0 0 385.781 2.978 20 5 GFBDRN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000840915567 661206603 /nfs/dbraw/zinc/20/66/03/661206603.db2.gz RAKVZAZCYWDPSP-UHFFFAOYSA-N 0 0 389.430 2.537 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCCCC(=O)c1ccc(Br)cc1 ZINC000759479379 655955086 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2.527 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])OCCc2sccc21 ZINC000290086188 563697463 /nfs/dbraw/zinc/69/74/63/563697463.db2.gz HJMOYEUZWKYNQC-INIZCTEOSA-N 0 0 382.463 2.564 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000413602830 563698919 /nfs/dbraw/zinc/69/89/19/563698919.db2.gz JZAFATVZWGYEEU-LLVKDONJSA-N 0 0 385.442 2.890 20 5 GFBDRN O=C1CCC[C@@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)N1 ZINC000290217750 563701391 /nfs/dbraw/zinc/70/13/91/563701391.db2.gz ZEHZYFLPRSCQOO-JTQLQIEISA-N 0 0 395.213 2.542 20 5 GFBDRN C[S@@](=O)C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000438120675 563701487 /nfs/dbraw/zinc/70/14/87/563701487.db2.gz NDKGZVDVYSJJQQ-RUZDIDTESA-N 0 0 379.463 2.749 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000438793640 563711043 /nfs/dbraw/zinc/71/10/43/563711043.db2.gz QPSHVNXAOYLQNF-GFCCVEGCSA-N 0 0 381.801 2.648 20 5 GFBDRN CC[C@H](CSC)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290660895 563717745 /nfs/dbraw/zinc/71/77/45/563717745.db2.gz CKVPPIGMTLUKCA-MRVPVSSYSA-N 0 0 390.259 2.554 20 5 GFBDRN Cc1nn(C)c2c1N(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCS2 ZINC000363299847 563718783 /nfs/dbraw/zinc/71/87/83/563718783.db2.gz UXNWFPFCXQFEKD-UHFFFAOYSA-N 0 0 388.858 2.591 20 5 GFBDRN CCOc1cc(Br)ccc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439286575 563721622 /nfs/dbraw/zinc/72/16/22/563721622.db2.gz SOBNWYJDANNQID-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCOC2(CCOCC2)C1 ZINC000291236524 563735553 /nfs/dbraw/zinc/73/55/53/563735553.db2.gz ASZCBKRBHSPNSN-UHFFFAOYSA-N 0 0 375.208 2.923 20 5 GFBDRN Cc1cc(C)c(OC(=O)c2cc3c(s2)CCS(=O)(=O)C3)c([N+](=O)[O-])c1 ZINC000363877311 563736430 /nfs/dbraw/zinc/73/64/30/563736430.db2.gz UOIKFNALLMUINK-UHFFFAOYSA-N 0 0 381.431 2.963 20 5 GFBDRN CCc1n[nH]c(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000440478353 563742942 /nfs/dbraw/zinc/74/29/42/563742942.db2.gz LKEOBZIYWOXGKU-SECBINFHSA-N 0 0 397.229 2.840 20 5 GFBDRN Cc1cc(Br)oc1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364355565 563750645 /nfs/dbraw/zinc/75/06/45/563750645.db2.gz AUIRLCUNKUIISJ-JTQLQIEISA-N 0 0 383.202 2.933 20 5 GFBDRN CNC(=O)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000291787458 563758646 /nfs/dbraw/zinc/75/86/46/563758646.db2.gz VRSNSTJFLOTSLH-VIFPVBQESA-N 0 0 382.214 2.841 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000441876428 563764760 /nfs/dbraw/zinc/76/47/60/563764760.db2.gz SZLDDIGAHGLIBO-UWVGGRQHSA-N 0 0 395.264 2.949 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cn(C2CCOCC2)nn1 ZINC000291931610 563765307 /nfs/dbraw/zinc/76/53/07/563765307.db2.gz ZLSMCSSHBFNTDI-UHFFFAOYSA-N 0 0 396.201 2.553 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(Cc3ccsc3)CC2)c1 ZINC000364920826 563768878 /nfs/dbraw/zinc/76/88/78/563768878.db2.gz SIUFVAQBJMUXEB-UHFFFAOYSA-N 0 0 381.479 2.599 20 5 GFBDRN C[C@H]1OCC[C@]12CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CCO2 ZINC000292406285 563785455 /nfs/dbraw/zinc/78/54/55/563785455.db2.gz SEVORYPCTWOADM-PSLIRLAXSA-N 0 0 375.208 2.922 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1O ZINC000443158832 563793988 /nfs/dbraw/zinc/79/39/88/563793988.db2.gz QIUUPHOMZCLXDH-UHFFFAOYSA-N 0 0 386.813 2.749 20 5 GFBDRN COc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000443184042 563794301 /nfs/dbraw/zinc/79/43/01/563794301.db2.gz NBQXFTRYEPRKRQ-UHFFFAOYSA-N 0 0 386.813 2.783 20 5 GFBDRN O=C(COc1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000292770108 563795416 /nfs/dbraw/zinc/79/54/16/563795416.db2.gz XLAYDNFFNKWMIY-VIFPVBQESA-N 0 0 380.706 2.749 20 5 GFBDRN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC000292833421 563796544 /nfs/dbraw/zinc/79/65/44/563796544.db2.gz PADFAHCCMWBGME-LBPRGKRZSA-N 0 0 390.845 2.748 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H](O)CC2)c1 ZINC000292973554 563798037 /nfs/dbraw/zinc/79/80/37/563798037.db2.gz ATVLRDZWGHSTQA-CYBMUJFWSA-N 0 0 376.194 2.546 20 5 GFBDRN Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000293293069 563807150 /nfs/dbraw/zinc/80/71/50/563807150.db2.gz AXBBJOXRCSLWGG-VIFPVBQESA-N 0 0 388.193 2.565 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000366541766 563812905 /nfs/dbraw/zinc/81/29/05/563812905.db2.gz ULULJAHPNCGPFB-QFYYESIMSA-N 0 0 399.241 2.686 20 5 GFBDRN CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000443959690 563816496 /nfs/dbraw/zinc/81/64/96/563816496.db2.gz CAZKIRYJXOHADW-UHFFFAOYSA-N 0 0 378.435 2.672 20 5 GFBDRN CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416410893 563824619 /nfs/dbraw/zinc/82/46/19/563824619.db2.gz YGMXXOMYKUPZQC-ZYHUDNBSSA-N 0 0 382.360 2.850 20 5 GFBDRN Cc1cc(S(=O)(=O)NCc2nnc(C(C)(C)C)s2)c(C)cc1[N+](=O)[O-] ZINC000416429601 563827957 /nfs/dbraw/zinc/82/79/57/563827957.db2.gz ZMENPUCRUCCVFO-UHFFFAOYSA-N 0 0 384.483 2.839 20 5 GFBDRN CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416438978 563828768 /nfs/dbraw/zinc/82/87/68/563828768.db2.gz PHQAUHWGAQLJAO-LBPRGKRZSA-N 0 0 382.360 2.538 20 5 GFBDRN CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416455216 563830730 /nfs/dbraw/zinc/83/07/30/563830730.db2.gz KDIPOEGOOQNNTP-JOYOIKCWSA-N 0 0 382.360 2.707 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[C@@H]1CF ZINC000294063973 563830712 /nfs/dbraw/zinc/83/07/12/563830712.db2.gz MGJGYWHJHZODEQ-SECBINFHSA-N 0 0 378.141 2.774 20 5 GFBDRN CC(C)(O)CN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416470023 563833515 /nfs/dbraw/zinc/83/35/15/563833515.db2.gz FPVCSBDPTJFXEH-UHFFFAOYSA-N 0 0 382.360 2.538 20 5 GFBDRN CC1(C)CC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])O1 ZINC000416470413 563833947 /nfs/dbraw/zinc/83/39/47/563833947.db2.gz HDWFPYAOYZBLSI-SNVBAGLBSA-N 0 0 382.360 2.850 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[C@H]1CCOC1 ZINC000416492880 563838599 /nfs/dbraw/zinc/83/85/99/563838599.db2.gz BQVZWLORSFCZQV-JTQLQIEISA-N 0 0 382.360 2.709 20 5 GFBDRN O=C(CNC(=O)c1sc(Br)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000445180082 563845325 /nfs/dbraw/zinc/84/53/25/563845325.db2.gz APGVEPKCIKZDNM-UHFFFAOYSA-N 0 0 390.259 2.598 20 5 GFBDRN CCn1cc(Br)cc1-c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445613335 563851366 /nfs/dbraw/zinc/85/13/66/563851366.db2.gz SBKYSUJBGFESDI-UHFFFAOYSA-N 0 0 381.190 2.938 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000416598764 563852041 /nfs/dbraw/zinc/85/20/41/563852041.db2.gz UCJPMQDHRVBXIO-HIFRSBDPSA-N 0 0 382.825 2.745 20 5 GFBDRN Cn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1=O ZINC000446456997 563864543 /nfs/dbraw/zinc/86/45/43/563864543.db2.gz KURJVQPQMXMFAG-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(Sc2cc(C)c([N+](=O)[O-])cn2)nc1 ZINC000470859192 564179156 /nfs/dbraw/zinc/17/91/56/564179156.db2.gz MODLWBNDBHGKSG-UHFFFAOYSA-N 0 0 382.467 2.875 20 5 GFBDRN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421062 564186116 /nfs/dbraw/zinc/18/61/16/564186116.db2.gz KTAQWWGWKPJMJQ-BXUZGUMPSA-N 0 0 390.221 2.792 20 5 GFBDRN O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000539798399 564228971 /nfs/dbraw/zinc/22/89/71/564228971.db2.gz NCQWXDLDZCGEGL-CQSZACIVSA-N 0 0 383.173 2.960 20 5 GFBDRN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(Br)c1 ZINC000507692582 564239427 /nfs/dbraw/zinc/23/94/27/564239427.db2.gz CMGPLTJODUPDMK-SECBINFHSA-N 0 0 398.188 2.536 20 5 GFBDRN C[C@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1nncn1C ZINC000540285084 564244516 /nfs/dbraw/zinc/24/45/16/564244516.db2.gz DADYSAWOWDQXCB-QMMMGPOBSA-N 0 0 377.202 2.629 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000473623701 564250848 /nfs/dbraw/zinc/25/08/48/564250848.db2.gz HROKNMKEYRWDKG-TVQRCGJNSA-N 0 0 395.188 2.760 20 5 GFBDRN Cc1c(Br)cccc1C[C@H](CO)CNc1ncc([N+](=O)[O-])s1 ZINC000450889526 564253044 /nfs/dbraw/zinc/25/30/44/564253044.db2.gz RCIMDJZRAWNWGE-JTQLQIEISA-N 0 0 386.271 2.807 20 5 GFBDRN Cc1c(Br)cccc1C[C@@H](CO)CNc1ccc([N+](=O)[O-])cn1 ZINC000450888771 564253138 /nfs/dbraw/zinc/25/31/38/564253138.db2.gz OHOQZIXYOKPUGZ-GFCCVEGCSA-N 0 0 380.242 2.746 20 5 GFBDRN CN(C(=O)COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC000508159307 564256302 /nfs/dbraw/zinc/25/63/02/564256302.db2.gz FLHRZJKNTIMEOI-UHFFFAOYSA-N 0 0 380.198 2.905 20 5 GFBDRN COc1cc(Br)c(C(=O)Cn2cc([N+](=O)[O-])c(C)n2)cc1OC ZINC000450963110 564257278 /nfs/dbraw/zinc/25/72/78/564257278.db2.gz UPDQVFSDSUGKCR-UHFFFAOYSA-N 0 0 384.186 2.762 20 5 GFBDRN CS(=O)(=O)CCCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000508167181 564257518 /nfs/dbraw/zinc/25/75/18/564257518.db2.gz WPVOMQMENUAXGT-UHFFFAOYSA-N 0 0 389.227 2.719 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(-c2nc(Cc3cc(F)cc(Br)c3)no2)n1 ZINC000508688817 564270413 /nfs/dbraw/zinc/27/04/13/564270413.db2.gz YEECZAORDUECKY-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000541289495 564273524 /nfs/dbraw/zinc/27/35/24/564273524.db2.gz BINBGXONARZDFO-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN Cc1cccc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474349749 564275480 /nfs/dbraw/zinc/27/54/80/564275480.db2.gz HXNZSRJBFFRLPB-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000509137584 564283343 /nfs/dbraw/zinc/28/33/43/564283343.db2.gz KOLDLXYJISJUEQ-UHFFFAOYSA-N 0 0 378.797 2.803 20 5 GFBDRN C[C@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509146251 564283570 /nfs/dbraw/zinc/28/35/70/564283570.db2.gz KXLIPOCVVKSGCV-LLVKDONJSA-N 0 0 382.825 2.727 20 5 GFBDRN COc1ccc(CSCC(=O)N[C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000474674885 564285045 /nfs/dbraw/zinc/28/50/45/564285045.db2.gz CTAYRIPVPVNFMX-ZDUSSCGKSA-N 0 0 382.463 2.748 20 5 GFBDRN O=C1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000474778270 564289253 /nfs/dbraw/zinc/28/92/53/564289253.db2.gz ZMTUKQQLCLEAGY-CYBMUJFWSA-N 0 0 391.225 2.965 20 5 GFBDRN O=C(NC[C@H](O)Cc1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000474920684 564293221 /nfs/dbraw/zinc/29/32/21/564293221.db2.gz FXNNDUITHMUZDO-CYBMUJFWSA-N 0 0 379.210 2.691 20 5 GFBDRN Cc1c(Br)c(NC(C)(C)CCS(C)(=O)=O)ncc1[N+](=O)[O-] ZINC000542507765 564316414 /nfs/dbraw/zinc/31/64/14/564316414.db2.gz LHNYPRSUDJXKMQ-UHFFFAOYSA-N 0 0 380.264 2.686 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2cncnc2N)no1 ZINC000566340270 564323912 /nfs/dbraw/zinc/32/39/12/564323912.db2.gz MIYSIJRZYJYIIX-UHFFFAOYSA-N 0 0 377.158 2.585 20 5 GFBDRN CS(=O)(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542922671 564331527 /nfs/dbraw/zinc/33/15/27/564331527.db2.gz JBTTWFVODQMLGX-UHFFFAOYSA-N 0 0 384.410 2.868 20 5 GFBDRN COC(=O)c1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccn1 ZINC000566670003 564337092 /nfs/dbraw/zinc/33/70/92/564337092.db2.gz SVJRRGRHNFEVOQ-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN COc1ccc(OCCn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000543145277 564338992 /nfs/dbraw/zinc/33/89/92/564338992.db2.gz XELMZDMQTKVSHR-UHFFFAOYSA-N 0 0 383.198 2.915 20 5 GFBDRN COc1c(C(=O)N[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000476539467 564344078 /nfs/dbraw/zinc/34/40/78/564344078.db2.gz DSPNVDQDDHEEDM-CYBMUJFWSA-N 0 0 395.209 2.829 20 5 GFBDRN COC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000451817241 564355084 /nfs/dbraw/zinc/35/50/84/564355084.db2.gz ZACNNHQUHDBKDG-ZDUSSCGKSA-N 0 0 384.841 2.957 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CO)c1cccc(Cl)c1F ZINC000543619356 564356168 /nfs/dbraw/zinc/35/61/68/564356168.db2.gz MVDVTTAQHMAFQE-ZDUSSCGKSA-N 0 0 388.804 2.708 20 5 GFBDRN Cc1c(Br)cc(C(=O)N2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000511293126 564366367 /nfs/dbraw/zinc/36/63/67/564366367.db2.gz ZPNVLEDCHXKEQN-NSHDSACASA-N 0 0 389.271 2.606 20 5 GFBDRN CN1C(=O)COc2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc21 ZINC000543864777 564366611 /nfs/dbraw/zinc/36/66/11/564366611.db2.gz UZFGVQOSKFIMGJ-UHFFFAOYSA-N 0 0 379.170 2.851 20 5 GFBDRN CCN(Cc1cccs1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477157715 564367423 /nfs/dbraw/zinc/36/74/23/564367423.db2.gz DMGKSBFTQWDVEA-UHFFFAOYSA-N 0 0 384.435 2.638 20 5 GFBDRN CC(C)OCCCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000543974842 564370428 /nfs/dbraw/zinc/37/04/28/564370428.db2.gz BOJISXDLDSWLGN-UHFFFAOYSA-N 0 0 395.275 2.841 20 5 GFBDRN CC(C)(O)COc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000543977887 564370761 /nfs/dbraw/zinc/37/07/61/564370761.db2.gz RCIRYLBXQSBORT-UHFFFAOYSA-N 0 0 386.451 2.953 20 5 GFBDRN CCOC(=O)c1csc(N(C)C(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000544045106 564372419 /nfs/dbraw/zinc/37/24/19/564372419.db2.gz JKHJLQILBYCCSB-UHFFFAOYSA-N 0 0 381.435 2.983 20 5 GFBDRN Cc1c(Br)c(=O)n(CCOCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000544074889 564373596 /nfs/dbraw/zinc/37/35/96/564373596.db2.gz BTDVMSVQKUOYSV-UHFFFAOYSA-N 0 0 397.225 2.923 20 5 GFBDRN C[C@@H](CN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1nccs1 ZINC000544122341 564376025 /nfs/dbraw/zinc/37/60/25/564376025.db2.gz VGOCRXBQSMFBHZ-NSHDSACASA-N 0 0 384.483 2.542 20 5 GFBDRN COC[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452032901 564384619 /nfs/dbraw/zinc/38/46/19/564384619.db2.gz BORZPLJZVVZZGH-LBPRGKRZSA-N 0 0 386.246 2.797 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000477930140 564391096 /nfs/dbraw/zinc/39/10/96/564391096.db2.gz VLYZARCUCYVXDT-OTYXRUKQSA-N 0 0 397.229 2.597 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000452110375 564393605 /nfs/dbraw/zinc/39/36/05/564393605.db2.gz QTYIEHWAMVZZEJ-UHFFFAOYSA-N 0 0 386.323 2.706 20 5 GFBDRN CC[C@H](Cc1ccccc1Br)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000478120905 564395984 /nfs/dbraw/zinc/39/59/84/564395984.db2.gz QPIOGZHYQKZBST-LLVKDONJSA-N 0 0 381.230 2.842 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000512680602 564408635 /nfs/dbraw/zinc/40/86/35/564408635.db2.gz OZPZKSIFHWRSLT-UHFFFAOYSA-N 0 0 379.214 2.903 20 5 GFBDRN C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512780280 564410531 /nfs/dbraw/zinc/41/05/31/564410531.db2.gz YXKPVNLXNUMVJR-TZMCWYRMSA-N 0 0 381.479 2.770 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000478900106 564418095 /nfs/dbraw/zinc/41/80/95/564418095.db2.gz TUHSAIRMGLBQPZ-GXSJLCMTSA-N 0 0 382.360 2.955 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000478912898 564418731 /nfs/dbraw/zinc/41/87/31/564418731.db2.gz WAOZOOVJWYJTCT-KOLCDFICSA-N 0 0 382.360 2.955 20 5 GFBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(I)c[nH]1 ZINC000513339928 564427072 /nfs/dbraw/zinc/42/70/72/564427072.db2.gz XCKCSYARNOJZOM-UHFFFAOYSA-N 0 0 399.188 2.842 20 5 GFBDRN C[C@@H]1C[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC(=O)N1 ZINC000545736547 564431478 /nfs/dbraw/zinc/43/14/78/564431478.db2.gz PKGKFDKLZQOMTD-SCZZXKLOSA-N 0 0 395.213 2.713 20 5 GFBDRN Cc1csc(-c2noc(CSc3ccc(C(N)=O)cc3[N+](=O)[O-])n2)n1 ZINC000545791782 564432757 /nfs/dbraw/zinc/43/27/57/564432757.db2.gz JKXHHMRURXMSEF-UHFFFAOYSA-N 0 0 377.407 2.801 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452849219 564434330 /nfs/dbraw/zinc/43/43/30/564434330.db2.gz PBWUAFSYWIMBLT-CYBMUJFWSA-N 0 0 393.241 2.960 20 5 GFBDRN CNC(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1Br ZINC000568810677 564435399 /nfs/dbraw/zinc/43/53/99/564435399.db2.gz VPJYASKOASUXTM-UHFFFAOYSA-N 0 0 392.209 2.898 20 5 GFBDRN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452923987 564437081 /nfs/dbraw/zinc/43/70/81/564437081.db2.gz JZLWYWWYXJDPDT-GJZGRUSLSA-N 0 0 383.242 2.884 20 5 GFBDRN COC(=O)c1cc(NCc2nn(C)cc2Br)c(C)c([N+](=O)[O-])c1 ZINC000453130372 564448097 /nfs/dbraw/zinc/44/80/97/564448097.db2.gz VXOUCZVKWHQWAT-UHFFFAOYSA-N 0 0 383.202 2.798 20 5 GFBDRN Cc1cc(Br)ccc1Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000546474559 564456049 /nfs/dbraw/zinc/45/60/49/564456049.db2.gz ZKSJOXOUEHWKED-UHFFFAOYSA-N 0 0 378.186 2.884 20 5 GFBDRN CC(C)(C)N1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000569720181 564476092 /nfs/dbraw/zinc/47/60/92/564476092.db2.gz BDJHFMFGNYAGNK-GFCCVEGCSA-N 0 0 399.245 2.878 20 5 GFBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000480552553 564477630 /nfs/dbraw/zinc/47/76/30/564477630.db2.gz OXERUPGPWFFWOR-KOLCDFICSA-N 0 0 381.376 2.622 20 5 GFBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1 ZINC000515595844 564482702 /nfs/dbraw/zinc/48/27/02/564482702.db2.gz MXESDOTYBMNUQK-GFCCVEGCSA-N 0 0 378.397 2.719 20 5 GFBDRN CC(C)OC(=O)CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480720186 564484378 /nfs/dbraw/zinc/48/43/78/564484378.db2.gz IZKBXOFGYXGTSB-SNVBAGLBSA-N 0 0 378.834 2.647 20 5 GFBDRN CC1(C2(NC(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000453998136 564489907 /nfs/dbraw/zinc/48/99/07/564489907.db2.gz GLKPQZCDBNARPO-UHFFFAOYSA-N 0 0 382.214 2.745 20 5 GFBDRN COC(=O)[C@H](C)N(C1CCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480898573 564494611 /nfs/dbraw/zinc/49/46/11/564494611.db2.gz MXWOYBQVXAXQRR-JTQLQIEISA-N 0 0 390.845 2.661 20 5 GFBDRN Cc1c(Br)c(N2C[C@@H](C)O[C@]3(CCCOC3)C2)ncc1[N+](=O)[O-] ZINC000481127986 564503875 /nfs/dbraw/zinc/50/38/75/564503875.db2.gz ZTCWMBSQQNXINU-MEBBXXQBSA-N 0 0 386.246 2.835 20 5 GFBDRN C[C@@H](NC(=O)NCc1nn(C)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000454354910 564507222 /nfs/dbraw/zinc/50/72/22/564507222.db2.gz FEYAUVAQMJOWJU-SECBINFHSA-N 0 0 382.218 2.651 20 5 GFBDRN CN(Cc1ccc(Cl)s1)C(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000570886726 564525029 /nfs/dbraw/zinc/52/50/29/564525029.db2.gz GFQUPKGFNHNOOQ-UHFFFAOYSA-N 0 0 380.857 2.721 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cn(C(C)C)nn1 ZINC000571007771 564531578 /nfs/dbraw/zinc/53/15/78/564531578.db2.gz ZCCBINGJIPBORD-UHFFFAOYSA-N 0 0 382.218 2.768 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](CO)c1cccnc1 ZINC000571198053 564539823 /nfs/dbraw/zinc/53/98/23/564539823.db2.gz SHFUJVYDPKIMMY-GFCCVEGCSA-N 0 0 394.225 2.567 20 5 GFBDRN NS(=O)(=O)c1cc(NCc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000520152541 564597708 /nfs/dbraw/zinc/59/77/08/564597708.db2.gz KJDSOEJGSLYFTI-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000520628125 564608929 /nfs/dbraw/zinc/60/89/29/564608929.db2.gz LBVYKTHLKAPOBV-MRVPVSSYSA-N 0 0 381.186 2.647 20 5 GFBDRN Cc1c(NS(=O)(=O)N2CCC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000485397663 564614898 /nfs/dbraw/zinc/61/48/98/564614898.db2.gz XVKOIJKUUMLXIE-QMMMGPOBSA-N 0 0 378.248 2.807 20 5 GFBDRN CN(C(=O)c1cc(Br)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])nc1 ZINC000521107483 564619321 /nfs/dbraw/zinc/61/93/21/564619321.db2.gz UKQAZZQXQSQKRP-UHFFFAOYSA-N 0 0 394.181 2.800 20 5 GFBDRN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485761066 564625091 /nfs/dbraw/zinc/62/50/91/564625091.db2.gz VTRBNCSZADYKFN-CBAPKCEASA-N 0 0 391.243 2.833 20 5 GFBDRN Cc1ncc2c(n1)CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C2 ZINC000550600007 564626835 /nfs/dbraw/zinc/62/68/35/564626835.db2.gz HGDQHMMSYGVWBI-UHFFFAOYSA-N 0 0 391.225 2.963 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@]2(CCOC2)C1 ZINC000456730331 564630821 /nfs/dbraw/zinc/63/08/21/564630821.db2.gz QBFHHXPYFNHVIP-INIZCTEOSA-N 0 0 383.242 2.929 20 5 GFBDRN C[C@H]1Cc2ccc(Br)cc2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000573331028 564633844 /nfs/dbraw/zinc/63/38/44/564633844.db2.gz JBWDHOGGJCZMLO-VIFPVBQESA-N 0 0 391.225 2.802 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000522079473 564643700 /nfs/dbraw/zinc/64/37/00/564643700.db2.gz HPEAQXZRNMJGHN-KBPBESRZSA-N 0 0 379.214 2.616 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486243708 564645083 /nfs/dbraw/zinc/64/50/83/564645083.db2.gz ZTBLFFVMYXHRRJ-PWSUYJOCSA-N 0 0 383.495 2.747 20 5 GFBDRN COC[C@@H](C)n1ccc(=NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH]1 ZINC000551315044 564646789 /nfs/dbraw/zinc/64/67/89/564646789.db2.gz WTFHSEQYBWBZSH-SECBINFHSA-N 0 0 397.229 2.744 20 5 GFBDRN O=C(c1ccsc1Br)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457127288 564648237 /nfs/dbraw/zinc/64/82/37/564648237.db2.gz RVYCSCGMOUPAHH-UHFFFAOYSA-N 0 0 397.254 2.776 20 5 GFBDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551402214 564649223 /nfs/dbraw/zinc/64/92/23/564649223.db2.gz XXJQHCMKCLROBU-MWLCHTKSSA-N 0 0 384.230 2.991 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nccn1CC(F)(F)F ZINC000522762922 564655863 /nfs/dbraw/zinc/65/58/63/564655863.db2.gz JBHIXWDLLXPWAX-UHFFFAOYSA-N 0 0 376.722 2.866 20 5 GFBDRN CC[C@@H](C)c1nnc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000486596654 564658258 /nfs/dbraw/zinc/65/82/58/564658258.db2.gz BXKMWVJKSKWXGB-BDAKNGLRSA-N 0 0 387.849 2.919 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCOc2ccc(F)cc2C1 ZINC000486868176 564668787 /nfs/dbraw/zinc/66/87/87/564668787.db2.gz QRXKCUMLMWMMQI-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN C[C@@H](Cc1ccccc1Br)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000574969101 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CNC(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1Br ZINC000589045988 565147559 /nfs/dbraw/zinc/14/75/59/565147559.db2.gz FBTAWSNPJANYJX-UHFFFAOYSA-N 0 0 392.209 2.898 20 5 GFBDRN Cc1noc([C@@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000589259676 565158901 /nfs/dbraw/zinc/15/89/01/565158901.db2.gz GPQGCYDOSAUYQD-SSDOTTSWSA-N 0 0 388.165 2.742 20 5 GFBDRN Cc1sc(S(=O)(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1[N+](=O)[O-] ZINC000589927915 565173449 /nfs/dbraw/zinc/17/34/49/565173449.db2.gz RRBUTRNKEOHJMR-UHFFFAOYSA-N 0 0 394.381 2.643 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC12CCOCC2 ZINC000591328319 565224667 /nfs/dbraw/zinc/22/46/67/565224667.db2.gz RVUDYSYSABHKNZ-UHFFFAOYSA-N 0 0 380.344 2.557 20 5 GFBDRN CC[C@H](C)C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592082512 565254427 /nfs/dbraw/zinc/25/44/27/565254427.db2.gz IRLSKLZAIKRQEQ-VHSXEESVSA-N 0 0 384.376 2.689 20 5 GFBDRN C[C@@H]1SCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592109370 565257012 /nfs/dbraw/zinc/25/70/12/565257012.db2.gz AJGSQCMILVSDGH-IONNQARKSA-N 0 0 381.273 2.530 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCS[C@H]1C ZINC000592734400 565290866 /nfs/dbraw/zinc/29/08/66/565290866.db2.gz GIFVKPIMROEEOH-GXFFZTMASA-N 0 0 384.479 2.874 20 5 GFBDRN O=c1c2cncnc2c(Br)cn1CCOc1cccc([N+](=O)[O-])c1 ZINC000618644989 565308421 /nfs/dbraw/zinc/30/84/21/565308421.db2.gz XDYWAUJYIUARGD-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)n1 ZINC000593241320 565322856 /nfs/dbraw/zinc/32/28/56/565322856.db2.gz UAKAMBHQJBCQCL-UHFFFAOYSA-N 0 0 384.223 2.598 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC3(CC2)C(F)(F)C3(F)F)s1 ZINC000593488069 565336913 /nfs/dbraw/zinc/33/69/13/565336913.db2.gz AGWCGCQWOABOHE-UHFFFAOYSA-N 0 0 388.364 2.931 20 5 GFBDRN CC(C)(C)OC(=O)CN(CC1CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593497304 565337142 /nfs/dbraw/zinc/33/71/42/565337142.db2.gz UPSNIUJWLATESH-UHFFFAOYSA-N 0 0 390.483 2.618 20 5 GFBDRN CS(=O)(=O)N[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000619587442 565350980 /nfs/dbraw/zinc/35/09/80/565350980.db2.gz DQRRSEQANQZLQD-STQMWFEESA-N 0 0 392.275 2.630 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593647298 565351483 /nfs/dbraw/zinc/35/14/83/565351483.db2.gz XAPDGRYRHOQOKT-SNVBAGLBSA-N 0 0 376.862 2.586 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593643643 565351827 /nfs/dbraw/zinc/35/18/27/565351827.db2.gz YGXUBIZVCIIBLG-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000619698178 565355125 /nfs/dbraw/zinc/35/51/25/565355125.db2.gz AJUREAHNOMOBFO-ZYHUDNBSSA-N 0 0 381.376 2.988 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(c2ccccc2Br)CCC1 ZINC000593760525 565359525 /nfs/dbraw/zinc/35/95/25/565359525.db2.gz UTCVETOHNOJSGH-UHFFFAOYSA-N 0 0 379.214 2.900 20 5 GFBDRN Cc1c(NC(=O)N2CC[C@](F)(CO)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619802471 565359546 /nfs/dbraw/zinc/35/95/46/565359546.db2.gz FBHCTSQYYSSIJM-CYBMUJFWSA-N 0 0 376.182 2.604 20 5 GFBDRN COCCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594056879 565374629 /nfs/dbraw/zinc/37/46/29/565374629.db2.gz GVMJQOZGWOPFOF-LLVKDONJSA-N 0 0 385.726 2.652 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487956 565396158 /nfs/dbraw/zinc/39/61/58/565396158.db2.gz OYNHKEZVAZOGRK-YPMHNXCESA-N 0 0 382.360 2.682 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594489267 565397017 /nfs/dbraw/zinc/39/70/17/565397017.db2.gz NQHXKWRWFHUZGN-NSHDSACASA-N 0 0 378.472 2.609 20 5 GFBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000594724490 565412178 /nfs/dbraw/zinc/41/21/78/565412178.db2.gz SXDNAGVLXVQTSH-UHFFFAOYSA-N 0 0 375.328 2.858 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@]23C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000594805690 565422594 /nfs/dbraw/zinc/42/25/94/565422594.db2.gz UXBXTKZCUJTIPT-ZANVPECISA-N 0 0 375.244 2.887 20 5 GFBDRN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000594850815 565429385 /nfs/dbraw/zinc/42/93/85/565429385.db2.gz FWUZBCXPEJYMIZ-KOLCDFICSA-N 0 0 393.259 2.593 20 5 GFBDRN C[C@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853320 565430574 /nfs/dbraw/zinc/43/05/74/565430574.db2.gz XLSZDHQYMACDDG-JOYOIKCWSA-N 0 0 393.259 2.593 20 5 GFBDRN CCSC1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000595348438 565465890 /nfs/dbraw/zinc/46/58/90/565465890.db2.gz FLTJYNNBJCWDIJ-UHFFFAOYSA-N 0 0 395.300 2.921 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595415257 565475703 /nfs/dbraw/zinc/47/57/03/565475703.db2.gz KWVUZDOUIZPULZ-ISVAXAHUSA-N 0 0 384.788 2.681 20 5 GFBDRN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595823616 565492470 /nfs/dbraw/zinc/49/24/70/565492470.db2.gz PFIFKQARGRFMHG-ZDUSSCGKSA-N 0 0 385.262 2.545 20 5 GFBDRN CC(C)(C)c1csc(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000596114169 565514221 /nfs/dbraw/zinc/51/42/21/565514221.db2.gz JCQMDYYNUSYFCW-UHFFFAOYSA-N 0 0 384.483 2.651 20 5 GFBDRN COc1cc(S[C@@H](C)C(=O)NCC(=O)OC(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596268227 565517482 /nfs/dbraw/zinc/51/74/82/565517482.db2.gz GLIPAVBINSPHKA-VIFPVBQESA-N 0 0 390.845 2.805 20 5 GFBDRN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000596468702 565525146 /nfs/dbraw/zinc/52/51/46/565525146.db2.gz GTEBRKSEMKWTID-RKDXNWHRSA-N 0 0 376.194 2.653 20 5 GFBDRN C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1CCO ZINC000598066946 565592669 /nfs/dbraw/zinc/59/26/69/565592669.db2.gz HGGCEEPLPHDPON-XHDPSFHLSA-N 0 0 385.258 2.909 20 5 GFBDRN Cn1ncc(C2CC2)c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598211729 565602908 /nfs/dbraw/zinc/60/29/08/565602908.db2.gz VQXZZQWZNZQHEL-UHFFFAOYSA-N 0 0 379.214 2.898 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000598228964 565604027 /nfs/dbraw/zinc/60/40/27/565604027.db2.gz JBSDITILYMRPHS-CQSZACIVSA-N 0 0 380.198 2.899 20 5 GFBDRN NC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000598473632 565620245 /nfs/dbraw/zinc/62/02/45/565620245.db2.gz XXPWHEWBVDGURR-UHFFFAOYSA-N 0 0 398.257 2.913 20 5 GFBDRN C[C@@]1(C(F)F)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000598570305 565627446 /nfs/dbraw/zinc/62/74/46/565627446.db2.gz DIVDOKAJNAFCON-AWEZNQCLSA-N 0 0 393.184 2.782 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598615379 565630043 /nfs/dbraw/zinc/63/00/43/565630043.db2.gz XSDVEZBFEDWXBR-CABZTGNLSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646863 565631250 /nfs/dbraw/zinc/63/12/50/565631250.db2.gz LTHKFAIRVOHERQ-ZYHUDNBSSA-N 0 0 390.221 2.650 20 5 GFBDRN NS(=O)(=O)c1c(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cccc1[N+](=O)[O-] ZINC000599122606 565658066 /nfs/dbraw/zinc/65/80/66/565658066.db2.gz DJONLOBSYLEYFN-NILFDRSVSA-N 0 0 379.825 2.646 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCO[C@H](CCF)C1 ZINC000599167623 565658637 /nfs/dbraw/zinc/65/86/37/565658637.db2.gz LIXNJJQZSHUXKL-SNVBAGLBSA-N 0 0 380.157 2.764 20 5 GFBDRN CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599229540 565662517 /nfs/dbraw/zinc/66/25/17/565662517.db2.gz FHCIYHDUQTYTTO-LLVKDONJSA-N 0 0 384.483 2.868 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000599279181 565667336 /nfs/dbraw/zinc/66/73/36/565667336.db2.gz MUMRHCFDIKXJIQ-UHFFFAOYSA-N 0 0 384.845 2.550 20 5 GFBDRN Cn1cc(C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)cn1 ZINC000599620491 565693743 /nfs/dbraw/zinc/69/37/43/565693743.db2.gz UROBWUZODUNDPQ-LLVKDONJSA-N 0 0 393.241 2.796 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600485035 565732525 /nfs/dbraw/zinc/73/25/25/565732525.db2.gz UOUUMDOZCXOSIC-RTHSOTIFSA-N 0 0 386.857 2.528 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCSc3ccc(Cl)cc32)n1 ZINC000600668936 565744869 /nfs/dbraw/zinc/74/48/69/565744869.db2.gz WAKXEFQLRWWMMB-UHFFFAOYSA-N 0 0 388.858 2.673 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])s1 ZINC000601333114 565775922 /nfs/dbraw/zinc/77/59/22/565775922.db2.gz AJUDKJPUPSEFBH-CYBMUJFWSA-N 0 0 386.426 2.866 20 5 GFBDRN CC(F)(F)CCS(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601359899 565777547 /nfs/dbraw/zinc/77/75/47/565777547.db2.gz OONRVJVOHPYXEZ-UHFFFAOYSA-N 0 0 378.397 2.813 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c(F)cc1[N+](=O)[O-] ZINC000601415493 565782328 /nfs/dbraw/zinc/78/23/28/565782328.db2.gz FUTAXHDXFCQXOX-NSHDSACASA-N 0 0 388.808 2.528 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000601496685 565786861 /nfs/dbraw/zinc/78/68/61/565786861.db2.gz IXPZVJALSNZAHR-UHFFFAOYSA-N 0 0 381.479 2.836 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601798372 565804026 /nfs/dbraw/zinc/80/40/26/565804026.db2.gz HALGNKMJODJODF-ZANVPECISA-N 0 0 378.759 2.898 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601835232 565805652 /nfs/dbraw/zinc/80/56/52/565805652.db2.gz GVUYYCNEVVQKTK-OUJBWJOFSA-N 0 0 378.372 2.705 20 5 GFBDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000602293791 565837807 /nfs/dbraw/zinc/83/78/07/565837807.db2.gz NOZHAUUISDAFSE-HONMWMINSA-N 0 0 399.241 2.766 20 5 GFBDRN CCN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)CS(C)(=O)=O ZINC000602469622 565850286 /nfs/dbraw/zinc/85/02/86/565850286.db2.gz VQPCZHTUKZUBHZ-QMMMGPOBSA-N 0 0 385.305 2.674 20 5 GFBDRN C[NH+](C)[C@@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000602563136 565854940 /nfs/dbraw/zinc/85/49/40/565854940.db2.gz FJUILXKLJQVXKC-GFCCVEGCSA-N 0 0 380.333 2.946 20 5 GFBDRN O=C1CCCN1C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602718696 565865436 /nfs/dbraw/zinc/86/54/36/565865436.db2.gz QATNRMCIPRCCMC-SNVBAGLBSA-N 0 0 388.287 2.863 20 5 GFBDRN NC(=O)[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000603552820 565910423 /nfs/dbraw/zinc/91/04/23/565910423.db2.gz UKSFJXYRLGBHAX-VIFPVBQESA-N 0 0 379.214 2.607 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000603937107 565919477 /nfs/dbraw/zinc/91/94/77/565919477.db2.gz HYDXEPSICDQFTB-UHFFFAOYSA-N 0 0 387.870 2.821 20 5 GFBDRN CSc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000604531608 565931830 /nfs/dbraw/zinc/93/18/30/565931830.db2.gz SRPYMKQBSHPRHT-ZDUSSCGKSA-N 0 0 383.495 2.604 20 5 GFBDRN CCCCNC(=O)[C@@H]1CSCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000604531234 565931873 /nfs/dbraw/zinc/93/18/73/565931873.db2.gz MUBWWFCUUPVYLO-AWEZNQCLSA-N 0 0 383.495 2.505 20 5 GFBDRN CCOC(=O)c1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000610724394 566095230 /nfs/dbraw/zinc/09/52/30/566095230.db2.gz JTOPEDKALBPXFO-MRVPVSSYSA-N 0 0 382.423 2.742 20 5 GFBDRN C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000611021685 566111390 /nfs/dbraw/zinc/11/13/90/566111390.db2.gz AZEKZUYKGNUGPH-SMDDNHRTSA-N 0 0 384.841 2.691 20 5 GFBDRN Cc1nn(C)c(C)c1[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000611306329 566125688 /nfs/dbraw/zinc/12/56/88/566125688.db2.gz IUQSAXOELYCMOU-CYBMUJFWSA-N 0 0 396.245 2.681 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCc1ccc(CO)cc1 ZINC000611428455 566128409 /nfs/dbraw/zinc/12/84/09/566128409.db2.gz MQXKNVVJGBJEBO-UHFFFAOYSA-N 0 0 393.237 2.751 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611469395 566131262 /nfs/dbraw/zinc/13/12/62/566131262.db2.gz WDVWOIRLKNEJTF-BXKDBHETSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cc(C(=O)O[C@@H](C)COc2cccc(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1 ZINC000737238793 598881901 /nfs/dbraw/zinc/88/19/01/598881901.db2.gz UGQZZYFXELSXDR-LBPRGKRZSA-N 0 0 383.364 2.708 20 5 GFBDRN CC(C)(C(=O)OCc1cc(-c2nn[nH]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000735583342 598903396 /nfs/dbraw/zinc/90/33/96/598903396.db2.gz VZCRNSYAGVUTEI-UHFFFAOYSA-N 0 0 385.355 2.935 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000737117464 599046884 /nfs/dbraw/zinc/04/68/84/599046884.db2.gz WAXKKOAWWYUIOB-UHFFFAOYSA-N 0 0 395.301 2.809 20 5 GFBDRN COc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c2ccccc2n1 ZINC000821716703 599062294 /nfs/dbraw/zinc/06/22/94/599062294.db2.gz FQKWQJKEYFLXFO-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN Cc1ccc(OCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)c([N+](=O)[O-])c1 ZINC000737364701 599162398 /nfs/dbraw/zinc/16/23/98/599162398.db2.gz COKMFSYOWQZNGA-UHFFFAOYSA-N 0 0 379.336 2.712 20 5 GFBDRN CC[C@@H](NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000820920446 607302112 /nfs/dbraw/zinc/30/21/12/607302112.db2.gz PZPWXOSCBXZXTO-CYBMUJFWSA-N 0 0 387.787 2.704 20 5 GFBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cccc1-c1nn[nH]n1 ZINC000822107644 607322087 /nfs/dbraw/zinc/32/20/87/607322087.db2.gz AUMGGTQIUHAMBI-UHFFFAOYSA-N 0 0 397.351 2.861 20 5 GFBDRN COc1ccc2[nH]cc(CCNc3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)c2c1 ZINC000821849805 607346554 /nfs/dbraw/zinc/34/65/54/607346554.db2.gz RAKXHKPVAHUTKA-UHFFFAOYSA-N 0 0 379.380 2.919 20 5 GFBDRN CC(C)(C)OC(=O)N(CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000735623961 598455909 /nfs/dbraw/zinc/45/59/09/598455909.db2.gz OFJCNVOYYDCZBU-UHFFFAOYSA-N 0 0 389.416 2.586 20 5 GFBDRN O=[N+]([O-])c1cnccc1Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738373289 598456845 /nfs/dbraw/zinc/45/68/45/598456845.db2.gz ACDDGFZKNMXISA-UHFFFAOYSA-N 0 0 389.375 2.914 20 5 GFBDRN C[C@@H](OC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000736155061 598483986 /nfs/dbraw/zinc/48/39/86/598483986.db2.gz GODXSNCJKWBJMP-SNVBAGLBSA-N 0 0 387.327 2.597 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c(-c2nn[nH]n2)c1 ZINC000738370189 598498536 /nfs/dbraw/zinc/49/85/36/598498536.db2.gz RKFZNNWYKDOZEO-LLVKDONJSA-N 0 0 392.379 2.695 20 5 GFBDRN O=[N+]([O-])c1ccc(-c2noc(CNc3ccc(F)c(-c4nn[nH]n4)c3)n2)cc1 ZINC000738358269 598602372 /nfs/dbraw/zinc/60/23/72/598602372.db2.gz DLNQBNDMBJUFIL-UHFFFAOYSA-N 0 0 382.315 2.576 20 5 GFBDRN COc1ccc2cc(CN(C)c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)ccc2c1 ZINC000821853920 599316466 /nfs/dbraw/zinc/31/64/66/599316466.db2.gz CWPLEMBXMHWVSS-UHFFFAOYSA-N 0 0 391.391 2.968 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000821733069 607370955 /nfs/dbraw/zinc/37/09/55/607370955.db2.gz ZKROFEKOBXJWJX-UHFFFAOYSA-N 0 0 392.322 2.997 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NCc3ccccc3[N+](=O)[O-])cc(-c3nn[nH]n3)c2c1 ZINC000823645941 599481845 /nfs/dbraw/zinc/48/18/45/599481845.db2.gz XDPRJCKOKILICR-UHFFFAOYSA-N 0 0 392.335 2.843 20 5 GFBDRN O=C1CCCN1C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823530754 599578143 /nfs/dbraw/zinc/57/81/43/599578143.db2.gz QVHBWQLOFHQESP-INIZCTEOSA-N 0 0 393.407 2.551 20 5 GFBDRN CCNc1ccc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821310153 607408358 /nfs/dbraw/zinc/40/83/58/607408358.db2.gz XLRJVZIPGBUPTK-UHFFFAOYSA-N 0 0 398.379 2.572 20 5 GFBDRN CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825632582 607416004 /nfs/dbraw/zinc/41/60/04/607416004.db2.gz XENMLDNYMUVKFN-UHFFFAOYSA-N 0 0 394.391 2.593 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000826254014 607413030 /nfs/dbraw/zinc/41/30/30/607413030.db2.gz PQMWLPMLXNBQSP-UHFFFAOYSA-N 0 0 385.405 2.919 20 5 GFBDRN C[C@H](C(=O)[O-])[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000826045022 601656601 /nfs/dbraw/zinc/65/66/01/601656601.db2.gz OQEQUTMKZIHBFY-DJJJIMSYSA-N 0 0 383.404 2.536 20 5 GFBDRN Cc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826292029 607525332 /nfs/dbraw/zinc/52/53/32/607525332.db2.gz FVAFLJAMZOEIAW-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN COc1ccc(F)cc1C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826209081 607525433 /nfs/dbraw/zinc/52/54/33/607525433.db2.gz LWJQELCHPRIBNX-UHFFFAOYSA-N 0 0 392.734 2.828 20 5 GFBDRN CCOc1ccc(NC(=O)C[NH2+]C2(CC(=O)[O-])CCCCC2)c([N+](=O)[O-])c1 ZINC000830085185 601880301 /nfs/dbraw/zinc/88/03/01/601880301.db2.gz SKILFLJVZWLCDR-UHFFFAOYSA-N 0 0 379.413 2.699 20 5 GFBDRN Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000826292164 607580592 /nfs/dbraw/zinc/58/05/92/607580592.db2.gz KNUKFIDQKSHNKO-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=C([O-])c1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000833308297 604268196 /nfs/dbraw/zinc/26/81/96/604268196.db2.gz VCGVPKCOUNFWHS-NSHDSACASA-N 0 0 383.832 2.859 20 5 GFBDRN CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833498070 605020802 /nfs/dbraw/zinc/02/08/02/605020802.db2.gz CDXBNZWNAHAIBZ-UHFFFAOYSA-N 0 0 395.481 2.718 20 5 GFBDRN C[C@@]1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC[C@H]1O ZINC000820623062 606242398 /nfs/dbraw/zinc/24/23/98/606242398.db2.gz DGXGCEUIYNJSBT-QAPCUYQASA-N 0 0 383.412 2.676 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822270877 606378857 /nfs/dbraw/zinc/37/88/57/606378857.db2.gz BFMJYQYNKSPSMJ-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000823630272 606403278 /nfs/dbraw/zinc/40/32/78/606403278.db2.gz VCNDBIQHFFRSAX-UHFFFAOYSA-N 0 0 399.377 2.851 20 5 GFBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H](O)c1c(F)cccc1F ZINC000820926750 606419369 /nfs/dbraw/zinc/41/93/69/606419369.db2.gz WBGUXXQNAWNRLJ-CZUORRHYSA-N 0 0 390.350 2.977 20 5 GFBDRN O=C(OCc1cc(-c2nn[nH]n2)ccc1F)c1c(F)ccc([N+](=O)[O-])c1F ZINC000823414322 606561020 /nfs/dbraw/zinc/56/10/20/606561020.db2.gz UIVMKMUFNWZJMQ-UHFFFAOYSA-N 0 0 379.254 2.549 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000823624922 606704063 /nfs/dbraw/zinc/70/40/63/606704063.db2.gz KYKJTYNMJLYLHY-UHFFFAOYSA-N 0 0 384.787 2.959 20 5 GFBDRN COCCCOc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821688349 606726563 /nfs/dbraw/zinc/72/65/63/606726563.db2.gz IGPXSPUIOQVHLI-UHFFFAOYSA-N 0 0 399.411 2.506 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000823640050 606801677 /nfs/dbraw/zinc/80/16/77/606801677.db2.gz QJURBZZADUHRGU-UHFFFAOYSA-N 0 0 375.732 2.949 20 5 GFBDRN O=C(OCc1cn2ccccc2c1-c1nn[nH]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823440046 606902024 /nfs/dbraw/zinc/90/20/24/606902024.db2.gz AFKVGRGKUFGDQS-UHFFFAOYSA-N 0 0 382.311 2.524 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822213159 606948239 /nfs/dbraw/zinc/94/82/39/606948239.db2.gz WZEABKSTKXKSDZ-UHFFFAOYSA-N 0 0 383.364 2.709 20 5 GFBDRN O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823426663 606996481 /nfs/dbraw/zinc/99/64/81/606996481.db2.gz NHEDCFVQDZJRQG-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN CCn1c(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000821565260 607036800 /nfs/dbraw/zinc/03/68/00/607036800.db2.gz LMNANZGQDMJMSY-UHFFFAOYSA-N 0 0 395.408 2.600 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1cccc(OCC(F)(F)F)c1 ZINC000823624574 607168129 /nfs/dbraw/zinc/16/81/29/607168129.db2.gz DBBRJUNWQSUCFG-UHFFFAOYSA-N 0 0 381.274 2.855 20 5 GFBDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820001532 607235558 /nfs/dbraw/zinc/23/55/58/607235558.db2.gz RFOISGHZWWVPEE-UHFFFAOYSA-N 0 0 386.343 2.710 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000822271065 607235697 /nfs/dbraw/zinc/23/56/97/607235697.db2.gz KZAKYRWLURWDDY-UHFFFAOYSA-N 0 0 382.380 2.879 20 5 GFBDRN O=C1[C@H](SCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478317 607817240 /nfs/dbraw/zinc/81/72/40/607817240.db2.gz YYZBEAMDZQREOM-MRXNPFEDSA-N 0 0 396.432 2.814 20 5 GFBDRN Cc1ccc(C)c(OC[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C ZINC000826284911 607870258 /nfs/dbraw/zinc/87/02/58/607870258.db2.gz JULTYAYGOFAWDO-HNNXBMFYSA-N 0 0 399.407 2.519 20 5 GFBDRN Cn1cc(-c2ccccc2CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cn1 ZINC000826356436 607966752 /nfs/dbraw/zinc/96/67/52/607966752.db2.gz QMVROIHDKOFQGS-UHFFFAOYSA-N 0 0 376.380 2.788 20 5 GFBDRN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000826421630 607979964 /nfs/dbraw/zinc/97/99/64/607979964.db2.gz REFVCXMQAMAUTN-UHFFFAOYSA-N 0 0 396.338 2.681 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000826497696 608099060 /nfs/dbraw/zinc/09/90/60/608099060.db2.gz QJNIAOYQGLTGLE-CYBMUJFWSA-N 0 0 383.387 2.995 20 5 GFBDRN CC(=CC(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943768 608142268 /nfs/dbraw/zinc/14/22/68/608142268.db2.gz SOSUYZGYCDBJMO-OUKQBFOZSA-N 0 0 395.375 2.800 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc2c(n1)CCCC2 ZINC000826451220 608162157 /nfs/dbraw/zinc/16/21/57/608162157.db2.gz WGEWPJSHRSTKPV-UHFFFAOYSA-N 0 0 399.798 2.954 20 5 GFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000825673749 608204588 /nfs/dbraw/zinc/20/45/88/608204588.db2.gz ADYXNBQPVWKXJV-UHFFFAOYSA-N 0 0 386.393 2.845 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826172156 608349909 /nfs/dbraw/zinc/34/99/09/608349909.db2.gz PPQHXURTPNRDST-UHFFFAOYSA-N 0 0 394.347 2.622 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000826176219 608384959 /nfs/dbraw/zinc/38/49/59/608384959.db2.gz GWEXJLZDYJDKEM-UHFFFAOYSA-N 0 0 396.407 2.533 20 5 GFBDRN C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824489588 608424439 /nfs/dbraw/zinc/42/44/39/608424439.db2.gz LXIQWFFOCXNYQK-GFCCVEGCSA-N 0 0 381.396 2.678 20 5 GFBDRN Cc1cc(F)cc(C(=O)OCc2cccc(-c3nn[nH]n3)c2F)c1[N+](=O)[O-] ZINC000826268237 608451158 /nfs/dbraw/zinc/45/11/58/608451158.db2.gz PFJPYLDOPKIXDN-UHFFFAOYSA-N 0 0 375.291 2.719 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826185491 608479235 /nfs/dbraw/zinc/47/92/35/608479235.db2.gz LILCCJUMOSUWKL-SNVBAGLBSA-N 0 0 383.368 2.666 20 5 GFBDRN Cc1cc(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826270249 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O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc2c(cc1Br)CCC2 ZINC000195211628 553041344 /nfs/dbraw/zinc/04/13/44/553041344.db2.gz YGSCGVILBPTDHE-UHFFFAOYSA-N 0 0 392.209 2.646 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCCN1CCSCC1 ZINC000226230190 553060991 /nfs/dbraw/zinc/06/09/91/553060991.db2.gz AAJVJSNMWBDSHU-UHFFFAOYSA-N 0 0 393.250 2.660 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000246638803 553110774 /nfs/dbraw/zinc/11/07/74/553110774.db2.gz JMAZGXWLBRKEPX-LRDDRELGSA-N 0 0 382.463 2.948 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000246698712 553112047 /nfs/dbraw/zinc/11/20/47/553112047.db2.gz NBHXSKGKMYJAAT-KCPJHIHWSA-N 0 0 386.857 2.874 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247710360 553125135 /nfs/dbraw/zinc/12/51/35/553125135.db2.gz ZZCFKLFWUUDKJZ-CVEARBPZSA-N 0 0 382.873 2.596 20 5 GFBDRN CC(C)C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263446834 553188076 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CC(C)(CCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)[N+](=O)[O-] ZINC000294719847 563213654 /nfs/dbraw/zinc/21/36/54/563213654.db2.gz WMXIPGJSIPVXHG-UHFFFAOYSA-N 0 0 389.861 2.654 20 5 GFBDRN CC(C)CNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000277848483 563228682 /nfs/dbraw/zinc/22/86/82/563228682.db2.gz GKLCGUSZDCAMPC-UHFFFAOYSA-N 0 0 383.202 2.722 20 5 GFBDRN CC[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000418873485 563228893 /nfs/dbraw/zinc/22/88/93/563228893.db2.gz TVGYGZRVDOSLBT-DTWKUNHWSA-N 0 0 377.182 2.598 20 5 GFBDRN C[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])CCS1 ZINC000418934285 563231068 /nfs/dbraw/zinc/23/10/68/563231068.db2.gz BWBQQBFFQLUNJH-MRVPVSSYSA-N 0 0 379.223 2.926 20 5 GFBDRN Cc1cccnc1CCCNc1c(I)cncc1[N+](=O)[O-] ZINC000419004699 563232220 /nfs/dbraw/zinc/23/22/20/563232220.db2.gz YODRGWWUWFQLLP-UHFFFAOYSA-N 0 0 398.204 2.764 20 5 GFBDRN O=C(Nc1ncn(-c2cccnc2)n1)c1cccc([N+](=O)[O-])c1Br ZINC000370104277 563233231 /nfs/dbraw/zinc/23/32/31/563233231.db2.gz 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O=[N+]([O-])c1cc(Br)cnc1N1CCS(=O)(=O)c2ccccc2C1 ZINC000302481611 563426100 /nfs/dbraw/zinc/42/61/00/563426100.db2.gz RIIAVRQKRJHZON-UHFFFAOYSA-N 0 0 398.238 2.546 20 5 GFBDRN COCC[C@H](COC)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000311800308 563436038 /nfs/dbraw/zinc/43/60/38/563436038.db2.gz KJPPSCIXMVPYAT-SNVBAGLBSA-N 0 0 380.182 2.663 20 5 GFBDRN O=[N+]([O-])c1ccc2ncnc(NCCCn3cc(Br)cn3)c2c1 ZINC000323640148 563451232 /nfs/dbraw/zinc/45/12/32/563451232.db2.gz SLPOAXQXLJRXOT-UHFFFAOYSA-N 0 0 377.202 2.999 20 5 GFBDRN CN(C(=O)OCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000283815135 563455518 /nfs/dbraw/zinc/45/55/18/563455518.db2.gz JCMRSUJKDQAERJ-UHFFFAOYSA-N 0 0 376.696 2.568 20 5 GFBDRN NC(=O)C1(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCCC1 ZINC000427415123 563466885 /nfs/dbraw/zinc/46/68/85/563466885.db2.gz RJDVVLZUQYDZCK-UHFFFAOYSA-N 0 0 393.241 2.785 20 5 GFBDRN COC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284402918 563473850 /nfs/dbraw/zinc/47/38/50/563473850.db2.gz RDRVUPMXIXHMBL-UHFFFAOYSA-N 0 0 385.214 2.691 20 5 GFBDRN CC1(O)C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000377852845 563488672 /nfs/dbraw/zinc/48/86/72/563488672.db2.gz UNNFTHNVEGXRKF-ZAXAGGATSA-N 0 0 395.264 2.968 20 5 GFBDRN C[C@H]1N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000377860103 563488674 /nfs/dbraw/zinc/48/86/74/563488674.db2.gz LGGGXMVTPSGQSD-SNVBAGLBSA-N 0 0 392.836 2.967 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC2(CCC2)C1 ZINC000377907162 563491144 /nfs/dbraw/zinc/49/11/44/563491144.db2.gz IFNNDHQQDKYFBT-UHFFFAOYSA-N 0 0 382.214 2.698 20 5 GFBDRN CC(C)S(=O)(=O)CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284927030 563495345 /nfs/dbraw/zinc/49/53/45/563495345.db2.gz WAVVXIXKMFJNAF-UHFFFAOYSA-N 0 0 391.287 2.539 20 5 GFBDRN CCc1nn(C)c(NC[C@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000428660184 563498969 /nfs/dbraw/zinc/49/89/69/563498969.db2.gz LMWJWERSCHMUDR-GFCCVEGCSA-N 0 0 397.273 2.916 20 5 GFBDRN C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358101 563503887 /nfs/dbraw/zinc/50/38/87/563503887.db2.gz YDHHVNXGHNVBGC-HNNXBMFYSA-N 0 0 397.317 2.569 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330491333 563507990 /nfs/dbraw/zinc/50/79/90/563507990.db2.gz PDFDPJZQGHHZSE-GHMZBOCLSA-N 0 0 397.147 2.885 20 5 GFBDRN COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330649054 563515539 /nfs/dbraw/zinc/51/55/39/563515539.db2.gz GWOGNXDJIFEOOR-MEBBXXQBSA-N 0 0 390.845 2.648 20 5 GFBDRN CC[C@@]1(C)COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000330652960 563516254 /nfs/dbraw/zinc/51/62/54/563516254.db2.gz YUVWISKGVBNWPL-ZDUSSCGKSA-N 0 0 393.259 2.547 20 5 GFBDRN CS[C@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000285410614 563519485 /nfs/dbraw/zinc/51/94/85/563519485.db2.gz WJELBOQHCLEPLC-PRHODGIISA-N 0 0 377.260 2.508 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000285467552 563522269 /nfs/dbraw/zinc/52/22/69/563522269.db2.gz UPYGUYLWTXZVKD-VIFPVBQESA-N 0 0 384.788 2.601 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])s1 ZINC000430159302 563537322 /nfs/dbraw/zinc/53/73/22/563537322.db2.gz DGLJENXOACQZLK-NSHDSACASA-N 0 0 399.266 3.000 20 5 GFBDRN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)S1=O ZINC000331157150 563537752 /nfs/dbraw/zinc/53/77/52/563537752.db2.gz ZAUYBCNEMZSDMV-UWVGGRQHSA-N 0 0 376.887 2.708 20 5 GFBDRN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000430245839 563539750 /nfs/dbraw/zinc/53/97/50/563539750.db2.gz AOJDNGGXJIHFTQ-GFCCVEGCSA-N 0 0 377.194 2.960 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000285920448 563542493 /nfs/dbraw/zinc/54/24/93/563542493.db2.gz URRXIYROAUACMR-QMMMGPOBSA-N 0 0 385.193 2.879 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C ZINC000331268494 563542699 /nfs/dbraw/zinc/54/26/99/563542699.db2.gz SBKKQHJWAWOTTQ-LBPRGKRZSA-N 0 0 385.873 2.986 20 5 GFBDRN O=C([C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000408305803 563550674 /nfs/dbraw/zinc/55/06/74/563550674.db2.gz NETRWOQWEJLCHG-NSHDSACASA-N 0 0 383.246 2.591 20 5 GFBDRN CSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000286194000 563551745 /nfs/dbraw/zinc/55/17/45/563551745.db2.gz JWDPMKWBIIOFTI-MNOVXSKESA-N 0 0 378.372 2.950 20 5 GFBDRN CCc1nc(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000431079514 563552679 /nfs/dbraw/zinc/55/26/79/563552679.db2.gz ZAXNEDFYJFDJKD-UHFFFAOYSA-N 0 0 383.495 2.627 20 5 GFBDRN CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000408446594 563556577 /nfs/dbraw/zinc/55/65/77/563556577.db2.gz NKVJYNOJROPGGU-AOOOYVTPSA-N 0 0 375.244 2.634 20 5 GFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000332081316 563574921 /nfs/dbraw/zinc/57/49/21/563574921.db2.gz LSHMNNMXHBRSAC-AWEZNQCLSA-N 0 0 384.845 2.643 20 5 GFBDRN Cc1nc([C@@](C)(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)no1 ZINC000432298937 563580036 /nfs/dbraw/zinc/58/00/36/563580036.db2.gz OEVIYMPXVRKCLF-AWEZNQCLSA-N 0 0 386.817 2.543 20 5 GFBDRN CC(C)(C(=O)N1CCc2cc(Br)ccc2C1)n1cc([N+](=O)[O-])cn1 ZINC000332194944 563582622 /nfs/dbraw/zinc/58/26/22/563582622.db2.gz VVPQKSOAYJHMHQ-UHFFFAOYSA-N 0 0 393.241 2.874 20 5 GFBDRN C[C@H]1CSCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000332223421 563584671 /nfs/dbraw/zinc/58/46/71/563584671.db2.gz LHCPMAWEVSAYCV-SECBINFHSA-N 0 0 395.300 2.731 20 5 GFBDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC000410774351 563596559 /nfs/dbraw/zinc/59/65/59/563596559.db2.gz YDAHOGFJHFJTBA-QPUJVOFHSA-N 0 0 382.360 2.705 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(c1ccc(Br)cc1)C1CC1 ZINC000411050010 563603460 /nfs/dbraw/zinc/60/34/60/563603460.db2.gz QLLQUHYYMLBPES-UHFFFAOYSA-N 0 0 392.209 2.715 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCc2cc(Br)cnc21 ZINC000288834646 563658911 /nfs/dbraw/zinc/65/89/11/563658911.db2.gz OFCOFEIHOIADHO-LBPRGKRZSA-N 0 0 381.186 2.570 20 5 GFBDRN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CC(F)(F)F ZINC000412639118 563664847 /nfs/dbraw/zinc/66/48/47/563664847.db2.gz RIIWLRUEASFHIL-VIFPVBQESA-N 0 0 382.360 2.707 20 5 GFBDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(CS(=O)(=O)C3CC3)no2)c1 ZINC000349725208 563664955 /nfs/dbraw/zinc/66/49/55/563664955.db2.gz YUJZDKCZCJEPQZ-UHFFFAOYSA-N 0 0 377.300 2.741 20 5 GFBDRN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289086142 563667870 /nfs/dbraw/zinc/66/78/70/563667870.db2.gz HXZJWZZXMKAXDZ-SECBINFHSA-N 0 0 382.269 2.616 20 5 GFBDRN CS(=O)(=O)C1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CC1 ZINC000350588938 563674804 /nfs/dbraw/zinc/67/48/04/563674804.db2.gz VPVSOCAOTJHYFA-UHFFFAOYSA-N 0 0 377.300 2.697 20 5 GFBDRN Cc1cnn([C@H]2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C2)c1 ZINC000289484059 563675675 /nfs/dbraw/zinc/67/56/75/563675675.db2.gz JBCPBBHGNASUBD-JTQLQIEISA-N 0 0 388.808 2.528 20 5 GFBDRN O=C1NCCC[C@@H]1COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000412996996 563678733 /nfs/dbraw/zinc/67/87/33/563678733.db2.gz GOIDPSZDXSMPCU-SECBINFHSA-N 0 0 380.198 2.811 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000289875267 563689236 /nfs/dbraw/zinc/68/92/36/563689236.db2.gz OATMTSQSQOHWFZ-NOZJJQNGSA-N 0 0 378.809 2.623 20 5 GFBDRN CCn1cc([C@@H]2OCC[C@H]2CNc2c(Br)cncc2[N+](=O)[O-])cn1 ZINC000413518394 563696273 /nfs/dbraw/zinc/69/62/73/563696273.db2.gz UMRPXEJXCHJMCC-ZUZCIYMTSA-N 0 0 396.245 2.580 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000361643758 563700765 /nfs/dbraw/zinc/70/07/65/563700765.db2.gz HQQFRXPEMOQTTG-GFCCVEGCSA-N 0 0 384.845 2.779 20 5 GFBDRN Cc1c(C(=O)Nc2ccsc2Cl)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000438565980 563707557 /nfs/dbraw/zinc/70/75/57/563707557.db2.gz HEARAHYXSADKSA-UHFFFAOYSA-N 0 0 375.815 2.518 20 5 GFBDRN Cc1nn(C[C@@H](O)COc2cc(F)cc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000438833857 563711661 /nfs/dbraw/zinc/71/16/61/563711661.db2.gz HEXRQDVQJGRQSD-GFCCVEGCSA-N 0 0 388.193 2.750 20 5 GFBDRN CSC(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290642527 563717002 /nfs/dbraw/zinc/71/70/02/563717002.db2.gz BFSKXLSMVNQGPM-UHFFFAOYSA-N 0 0 390.259 2.554 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2nc(-c3cccs3)c[nH]2)cc1 ZINC000439200236 563719058 /nfs/dbraw/zinc/71/90/58/563719058.db2.gz OQPYWYAJPFCYMV-UHFFFAOYSA-N 0 0 378.435 2.666 20 5 GFBDRN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)S1(=O)=O ZINC000290781423 563721548 /nfs/dbraw/zinc/72/15/48/563721548.db2.gz CXQWFDXJJVQRQN-VXGBXAGGSA-N 0 0 381.479 2.726 20 5 GFBDRN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290936566 563726416 /nfs/dbraw/zinc/72/64/16/563726416.db2.gz ZEVPHXRTBRCOFJ-SKDRFNHKSA-N 0 0 384.230 2.991 20 5 GFBDRN CC(C)(CCc1noc(-c2cncc(I)c2)n1)[N+](=O)[O-] ZINC000291014070 563730217 /nfs/dbraw/zinc/73/02/17/563730217.db2.gz BOGXTKRPYAQZIQ-UHFFFAOYSA-N 0 0 388.165 2.724 20 5 GFBDRN Cc1n[nH]c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1Br ZINC000414470179 563742687 /nfs/dbraw/zinc/74/26/87/563742687.db2.gz LCGQTXCQYFRDFR-UHFFFAOYSA-N 0 0 389.231 2.806 20 5 GFBDRN C[C@H]([C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCOCC1 ZINC000291606261 563750087 /nfs/dbraw/zinc/75/00/87/563750087.db2.gz XSPSERHFSXZHRD-VHSXEESVSA-N 0 0 376.240 2.741 20 5 GFBDRN CCC[C@@H]1CNCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440833230 563751222 /nfs/dbraw/zinc/75/12/22/563751222.db2.gz NOZDEFWADNFIBS-SNVBAGLBSA-N 0 0 382.269 2.664 20 5 GFBDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291721137 563755678 /nfs/dbraw/zinc/75/56/78/563755678.db2.gz BGPYHERZIYCLTN-YUMQZZPRSA-N 0 0 381.237 2.549 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@@H](CO)c2ccccc21 ZINC000364893639 563767807 /nfs/dbraw/zinc/76/78/07/563767807.db2.gz IMXZSMAUBPUZNS-HZMBPMFUSA-N 0 0 382.825 2.747 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](c3ncno3)C2)c1 ZINC000364962762 563770323 /nfs/dbraw/zinc/77/03/23/563770323.db2.gz ZTYGBUUMICSJSZ-SNVBAGLBSA-N 0 0 386.817 2.508 20 5 GFBDRN Cc1cc(N[C@@H]2CCN(C3CCOCC3)C2=O)c(Br)cc1[N+](=O)[O-] ZINC000365264273 563778645 /nfs/dbraw/zinc/77/86/45/563778645.db2.gz FNKWRWHCHYHAIA-CYBMUJFWSA-N 0 0 398.257 2.858 20 5 GFBDRN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000292487814 563788453 /nfs/dbraw/zinc/78/84/53/563788453.db2.gz OAIMCRXKLHTXTL-OCAPTIKFSA-N 0 0 381.237 2.549 20 5 GFBDRN CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443159218 563793670 /nfs/dbraw/zinc/79/36/70/563793670.db2.gz SPUAYBJDBJUHEB-JQWIXIFHSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ncc2Br)[nH]1 ZINC000366073377 563798109 /nfs/dbraw/zinc/79/81/09/563798109.db2.gz AOWWFFYNKADOFH-NSHDSACASA-N 0 0 395.217 2.546 20 5 GFBDRN Cc1nc(CS(=O)(=O)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)s1 ZINC000443451074 563805809 /nfs/dbraw/zinc/80/58/09/563805809.db2.gz FMMXRUPPVLHZPP-UHFFFAOYSA-N 0 0 384.435 2.650 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000366357780 563806123 /nfs/dbraw/zinc/80/61/23/563806123.db2.gz IWVXMDFIHMZXDC-GXTWGEPZSA-N 0 0 396.241 2.926 20 5 GFBDRN CC(C)[C@@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2F)C1 ZINC000366458107 563809029 /nfs/dbraw/zinc/80/90/29/563809029.db2.gz WVRYTZLRATXZBJ-HNNXBMFYSA-N 0 0 389.221 2.977 20 5 GFBDRN CC(C)[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2F)C1 ZINC000366458116 563809051 /nfs/dbraw/zinc/80/90/51/563809051.db2.gz WVRYTZLRATXZBJ-OAHLLOKOSA-N 0 0 389.221 2.977 20 5 GFBDRN O=C(N[C@@H]1CCN(c2cccnc2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366474943 563809931 /nfs/dbraw/zinc/80/99/31/563809931.db2.gz QNDCOYFWLBQCJK-CYBMUJFWSA-N 0 0 391.225 2.761 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000416366939 563818226 /nfs/dbraw/zinc/81/82/26/563818226.db2.gz DKFGPXCJJYNRSK-GFCCVEGCSA-N 0 0 384.435 2.873 20 5 GFBDRN COCC1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000293693991 563821907 /nfs/dbraw/zinc/82/19/07/563821907.db2.gz PYEUDCYNMZKFCE-UHFFFAOYSA-N 0 0 387.230 2.530 20 5 GFBDRN Cc1sc(S(=O)(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000444280914 563827015 /nfs/dbraw/zinc/82/70/15/563827015.db2.gz UVNAEVNHJJHNMI-LBPRGKRZSA-N 0 0 381.479 2.552 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000416456127 563831504 /nfs/dbraw/zinc/83/15/04/563831504.db2.gz LRYXIHHDQFMJNG-SKDRFNHKSA-N 0 0 382.360 2.850 20 5 GFBDRN Cc1cccc(Cl)c1S(=O)(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000416475456 563835203 /nfs/dbraw/zinc/83/52/03/563835203.db2.gz JODGOIGVCFTZDL-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN Nc1nccc([C@@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000367212076 563836186 /nfs/dbraw/zinc/83/61/86/563836186.db2.gz HGOMLZHMHRLZJJ-GFCCVEGCSA-N 0 0 392.257 2.939 20 5 GFBDRN Cc1ncsc1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416495834 563838686 /nfs/dbraw/zinc/83/86/86/563838686.db2.gz NSRKLAYWVOVPFI-UHFFFAOYSA-N 0 0 395.384 2.900 20 5 GFBDRN Cn1cc(Br)c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000294405214 563841116 /nfs/dbraw/zinc/84/11/16/563841116.db2.gz DRQJKZPOEBVCOE-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN CON1CCC(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416519755 563842237 /nfs/dbraw/zinc/84/22/37/563842237.db2.gz JXKDANJBIMVNIF-UHFFFAOYSA-N 0 0 398.268 2.548 20 5 GFBDRN CCOC(=O)[C@]1(C(C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000445064078 563842403 /nfs/dbraw/zinc/84/24/03/563842403.db2.gz DPEIFPMMBDXERD-OAHLLOKOSA-N 0 0 390.483 2.565 20 5 GFBDRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294476679 563843784 /nfs/dbraw/zinc/84/37/84/563843784.db2.gz IFYWNOIQVPBFKA-UHFFFAOYSA-N 0 0 384.849 2.789 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000367559062 563848766 /nfs/dbraw/zinc/84/87/66/563848766.db2.gz ISRDHWFXHXTTHR-VXGBXAGGSA-N 0 0 378.809 2.719 20 5 GFBDRN CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416579937 563850563 /nfs/dbraw/zinc/85/05/63/563850563.db2.gz PGQPTDNLSLVDQZ-CJNGLKHVSA-N 0 0 382.825 2.839 20 5 GFBDRN Cc1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)sc1SCC(N)=O ZINC000445689594 563851849 /nfs/dbraw/zinc/85/18/49/563851849.db2.gz JCDXGFSCIVJVFV-UHFFFAOYSA-N 0 0 380.451 2.508 20 5 GFBDRN C[C@@H](c1ncc(Br)cn1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367875126 563858381 /nfs/dbraw/zinc/85/83/81/563858381.db2.gz LLOOTESNLGTCHW-JQWIXIFHSA-N 0 0 381.234 2.742 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000368131561 563864468 /nfs/dbraw/zinc/86/44/68/563864468.db2.gz ASBBZOIUGFEZIO-AWEZNQCLSA-N 0 0 378.809 2.579 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368133935 563865066 /nfs/dbraw/zinc/86/50/66/563865066.db2.gz KHSIFHOYMFOIQL-OAHLLOKOSA-N 0 0 376.862 2.586 20 5 GFBDRN COCCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446950199 563871207 /nfs/dbraw/zinc/87/12/07/563871207.db2.gz LNJCSEOAEVBMPO-UHFFFAOYSA-N 0 0 395.275 2.650 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)c1ccsc1 ZINC000505638256 564186440 /nfs/dbraw/zinc/18/64/40/564186440.db2.gz WKHUZGWQBXLLHO-ZDUSSCGKSA-N 0 0 385.239 2.811 20 5 GFBDRN C[C@@](O)(CNc1ccc(I)cc1[N+](=O)[O-])C(F)(F)F ZINC000538511483 564192376 /nfs/dbraw/zinc/19/23/76/564192376.db2.gz OQMZHLSZQJACLS-SECBINFHSA-N 0 0 390.099 2.925 20 5 GFBDRN COc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1Br ZINC000471496305 564195601 /nfs/dbraw/zinc/19/56/01/564195601.db2.gz OEDZGCDQXHCMAL-UHFFFAOYSA-N 0 0 383.202 2.936 20 5 GFBDRN CC(C)OCC[C@H](O)COc1ccc(I)cc1[N+](=O)[O-] ZINC000471548979 564197726 /nfs/dbraw/zinc/19/77/26/564197726.db2.gz BXJKDLMQHYCXTP-NSHDSACASA-N 0 0 395.193 2.754 20 5 GFBDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000539138580 564211388 /nfs/dbraw/zinc/21/13/88/564211388.db2.gz BMXGRARZRBISQX-YMTOWFKASA-N 0 0 397.229 2.597 20 5 GFBDRN COc1ccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000539890231 564231611 /nfs/dbraw/zinc/23/16/11/564231611.db2.gz XORASBYKHNSVTC-UHFFFAOYSA-N 0 0 386.451 2.732 20 5 GFBDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000472931551 564237418 /nfs/dbraw/zinc/23/74/18/564237418.db2.gz WAVZXORQOTVXFD-CBAPKCEASA-N 0 0 379.722 2.986 20 5 GFBDRN COC[C@@]1(C(=O)OC)CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000450675773 564243227 /nfs/dbraw/zinc/24/32/27/564243227.db2.gz CKONWVMIXIKEFF-OAHLLOKOSA-N 0 0 387.230 2.682 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000540239697 564243246 /nfs/dbraw/zinc/24/32/46/564243246.db2.gz DETABCHWNQVPOL-XPTSAGLGSA-N 0 0 397.229 2.895 20 5 GFBDRN CCN(C)C(=O)[C@@H](C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000473917310 564256575 /nfs/dbraw/zinc/25/65/75/564256575.db2.gz FBVGKZHICTZUJG-SECBINFHSA-N 0 0 381.230 2.606 20 5 GFBDRN CCn1cc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])n1 ZINC000451022033 564263900 /nfs/dbraw/zinc/26/39/00/564263900.db2.gz GNGUMTVUZOLJJC-UHFFFAOYSA-N 0 0 378.332 2.569 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1ccn(CC(F)F)[nH]1 ZINC000541261485 564271757 /nfs/dbraw/zinc/27/17/57/564271757.db2.gz VPGQGGSJWVLIPK-UHFFFAOYSA-N 0 0 376.772 2.863 20 5 GFBDRN COC(=O)c1ccc(OCCn2cc([N+](=O)[O-])cc(Cl)c2=O)c(Cl)c1 ZINC000474364203 564275984 /nfs/dbraw/zinc/27/59/84/564275984.db2.gz UUEJDGBLUNSUEJ-UHFFFAOYSA-N 0 0 387.175 2.929 20 5 GFBDRN CC(C)CCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000474356607 564276325 /nfs/dbraw/zinc/27/63/25/564276325.db2.gz RTNCLNIGERLTRQ-LLVKDONJSA-N 0 0 388.262 2.850 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCc1ccccn1 ZINC000509026159 564278785 /nfs/dbraw/zinc/27/87/85/564278785.db2.gz GFYPCBSDKMRPCR-UHFFFAOYSA-N 0 0 397.172 2.833 20 5 GFBDRN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000509086383 564281471 /nfs/dbraw/zinc/28/14/71/564281471.db2.gz ULWOHDRZGSNANJ-UHFFFAOYSA-N 0 0 391.128 2.612 20 5 GFBDRN Cc1c(Br)c(N(CCC(N)=O)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000541576578 564284316 /nfs/dbraw/zinc/28/43/16/564284316.db2.gz MWIQCHCVPZGSQK-UHFFFAOYSA-N 0 0 393.241 2.943 20 5 GFBDRN Cc1c(Br)c(N2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000542521398 564317441 /nfs/dbraw/zinc/31/74/41/564317441.db2.gz RFIHYXILARGVLN-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN O=[N+]([O-])c1cnccc1NCCOc1ccc(I)cc1 ZINC000509930447 564317953 /nfs/dbraw/zinc/31/79/53/564317953.db2.gz YVNWZFNSZXOMCR-UHFFFAOYSA-N 0 0 385.161 2.507 20 5 GFBDRN Cc1cccc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000542676967 564321337 /nfs/dbraw/zinc/32/13/37/564321337.db2.gz ZJWXRNFRRFCORF-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000566347547 564323646 /nfs/dbraw/zinc/32/36/46/564323646.db2.gz PAMUZEMPWKFXQN-VIFPVBQESA-N 0 0 397.254 2.514 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510387453 564332136 /nfs/dbraw/zinc/33/21/36/564332136.db2.gz WQTMKMRIABIWPT-CQSZACIVSA-N 0 0 384.845 2.720 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000542930241 564332612 /nfs/dbraw/zinc/33/26/12/564332612.db2.gz UTTINXLMBKFALR-UHFFFAOYSA-N 0 0 378.284 2.862 20 5 GFBDRN CCOC(=O)C1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000510410133 564332784 /nfs/dbraw/zinc/33/27/84/564332784.db2.gz GQYNGJXMDNYBTA-UHFFFAOYSA-N 0 0 390.845 2.648 20 5 GFBDRN CS(=O)(=O)N1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000566695249 564338591 /nfs/dbraw/zinc/33/85/91/564338591.db2.gz CETRGJLMFRYFRQ-LLVKDONJSA-N 0 0 381.376 2.840 20 5 GFBDRN Cc1c(Br)c(=O)n(Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000543147886 564340320 /nfs/dbraw/zinc/34/03/20/564340320.db2.gz URIFXMUGVUEDSI-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN NS(=O)(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000510704696 564344061 /nfs/dbraw/zinc/34/40/61/564344061.db2.gz OWGLRCISXJOHGX-UHFFFAOYSA-N 0 0 380.769 2.613 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1Cl ZINC000451788722 564351633 /nfs/dbraw/zinc/35/16/33/564351633.db2.gz LBKFRIHKKNMMTN-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN Cc1occc1CN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000566988443 564352808 /nfs/dbraw/zinc/35/28/08/564352808.db2.gz BSHHOXSJXPZERL-UHFFFAOYSA-N 0 0 396.197 2.856 20 5 GFBDRN O=C(Nc1cc(Cl)ccn1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000511172285 564361515 /nfs/dbraw/zinc/36/15/15/564361515.db2.gz NBFMBDFLWIXZBZ-JTQLQIEISA-N 0 0 380.813 2.948 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000477199644 564368608 /nfs/dbraw/zinc/36/86/08/564368608.db2.gz ATIYHMZJQXFVSM-UHFFFAOYSA-N 0 0 383.813 2.597 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(CCO)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452008370 564381374 /nfs/dbraw/zinc/38/13/74/564381374.db2.gz OTHAIPUGMFRVGB-PWSUYJOCSA-N 0 0 376.862 2.728 20 5 GFBDRN Cc1c(Br)c(NCc2cccc(C(=O)N(C)C)c2)ncc1[N+](=O)[O-] ZINC000544410304 564385789 /nfs/dbraw/zinc/38/57/89/564385789.db2.gz FQNUVBJWZOYHKQ-UHFFFAOYSA-N 0 0 393.241 2.797 20 5 GFBDRN COC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000452102188 564393234 /nfs/dbraw/zinc/39/32/34/564393234.db2.gz UMGMJYNORJLCET-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN CC1(C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2COC[C@@H]21 ZINC000452121035 564395070 /nfs/dbraw/zinc/39/50/70/564395070.db2.gz SAYFVXJWIAPCLG-SMDDNHRTSA-N 0 0 398.257 2.653 20 5 GFBDRN NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000512360775 564398868 /nfs/dbraw/zinc/39/88/68/564398868.db2.gz DEHBRPACJNXQBI-CYBMUJFWSA-N 0 0 392.209 2.704 20 5 GFBDRN CCOC(=O)C[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000478767199 564414586 /nfs/dbraw/zinc/41/45/86/564414586.db2.gz YKCLMSXBXSUWMM-HNNXBMFYSA-N 0 0 392.861 2.894 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)cc1 ZINC000513192589 564423743 /nfs/dbraw/zinc/42/37/43/564423743.db2.gz NBWZQDRPZIOOOV-UHFFFAOYSA-N 0 0 391.236 2.687 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000513213725 564425150 /nfs/dbraw/zinc/42/51/50/564425150.db2.gz ICTRWTVJCWUKAN-UHFFFAOYSA-N 0 0 386.788 2.721 20 5 GFBDRN CN(C)S(=O)(=O)c1ccccc1-c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000545625034 564429931 /nfs/dbraw/zinc/42/99/31/564429931.db2.gz KHJZEJAWVQVPMP-UHFFFAOYSA-N 0 0 380.407 2.624 20 5 GFBDRN C[C@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC(=O)N1 ZINC000545736548 564431347 /nfs/dbraw/zinc/43/13/47/564431347.db2.gz PKGKFDKLZQOMTD-WCBMZHEXSA-N 0 0 395.213 2.713 20 5 GFBDRN C[C@H](c1noc(Cn2cnc([N+](=O)[O-])n2)n1)c1ccc(Br)cc1 ZINC000545836953 564433458 /nfs/dbraw/zinc/43/34/58/564433458.db2.gz WZADNDUWWQXLPW-QMMMGPOBSA-N 0 0 379.174 2.532 20 5 GFBDRN CS(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000513813856 564439553 /nfs/dbraw/zinc/43/95/53/564439553.db2.gz MWRPUHQYWSESOR-UHFFFAOYSA-N 0 0 380.447 2.870 20 5 GFBDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479451214 564440616 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CCC[C@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)OC ZINC000570017544 564487777 /nfs/dbraw/zinc/48/77/77/564487777.db2.gz GPYZQQDLMVKOGC-GFCCVEGCSA-N 0 0 392.193 2.744 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000480822867 564490097 /nfs/dbraw/zinc/49/00/97/564490097.db2.gz RMSWXVZFVIECIB-VXNVDRBHSA-N 0 0 383.227 2.881 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c(F)cccc2OC(F)F)s1 ZINC000480966728 564498363 /nfs/dbraw/zinc/49/83/63/564498363.db2.gz UPLXSDODPODPLQ-UHFFFAOYSA-N 0 0 382.341 2.875 20 5 GFBDRN Cc1sc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1CS(C)(=O)=O ZINC000481464093 564512448 /nfs/dbraw/zinc/51/24/48/564512448.db2.gz IKWVLSWVPFOUHO-UHFFFAOYSA-N 0 0 382.463 2.748 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N(CCO)Cc1cc(Br)cs1 ZINC000517033849 564522826 /nfs/dbraw/zinc/52/28/26/564522826.db2.gz PHGKDXSTFMPFSU-UHFFFAOYSA-N 0 0 389.275 2.943 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)COc2cnc3ccc(Br)cc3c2)c1 ZINC000548141150 564532913 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COc1cc(CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)ccc1Cl ZINC000549632810 564601272 /nfs/dbraw/zinc/60/12/72/564601272.db2.gz UJOWQHOMYZKEDK-UHFFFAOYSA-N 0 0 385.829 2.559 20 5 GFBDRN CNc1nccc(C(=O)NC2(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000572897271 564614934 /nfs/dbraw/zinc/61/49/34/564614934.db2.gz GYURUPAKGXZNAE-UHFFFAOYSA-N 0 0 391.225 2.635 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)OCCc2sccc21 ZINC000572923675 564615707 /nfs/dbraw/zinc/61/57/07/564615707.db2.gz JHJNXFPMRRRCQI-MRXNPFEDSA-N 0 0 382.463 2.731 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC(F)F)C[C@@H](C)O ZINC000456577641 564619290 /nfs/dbraw/zinc/61/92/90/564619290.db2.gz JDIDIPPDKRONJB-SSDOTTSWSA-N 0 0 381.173 2.754 20 5 GFBDRN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000573022210 564619764 /nfs/dbraw/zinc/61/97/64/564619764.db2.gz WYGKNVZEWPQGNZ-VIFPVBQESA-N 0 0 381.845 2.762 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCSC2)c(Br)c1 ZINC000521654884 564632970 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387.849 2.919 20 5 GFBDRN O=C(CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])N1CCCCC1 ZINC000486970885 564671636 /nfs/dbraw/zinc/67/16/36/564671636.db2.gz RNGRGJPTMHCFRV-UHFFFAOYSA-N 0 0 393.241 2.752 20 5 GFBDRN Cc1nnc(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000574409756 564672429 /nfs/dbraw/zinc/67/24/29/564672429.db2.gz VYQHUQWGVMORLR-UHFFFAOYSA-N 0 0 386.231 2.881 20 5 GFBDRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000524623165 564684602 /nfs/dbraw/zinc/68/46/02/564684602.db2.gz CXVRKNJESKSIFO-CQSZACIVSA-N 0 0 383.495 2.700 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000487561811 564691634 /nfs/dbraw/zinc/69/16/34/564691634.db2.gz FSTRYVFQXCBTQN-UHFFFAOYSA-N 0 0 381.186 2.856 20 5 GFBDRN CC(C)(C)N1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000552743493 564699923 /nfs/dbraw/zinc/69/99/23/564699923.db2.gz OQKVESNVTSQYII-SECBINFHSA-N 0 0 384.230 2.943 20 5 GFBDRN CN(Cc1ccncc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488860742 564722714 /nfs/dbraw/zinc/72/27/14/564722714.db2.gz WYGMULDDIGPIRB-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN CC1(C)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cc(N)ccc2O1 ZINC000577109946 564725663 /nfs/dbraw/zinc/72/56/63/564725663.db2.gz NOAUEOXDHIIRMC-LLVKDONJSA-N 0 0 383.451 2.819 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](CC2CC2)C1 ZINC000489132206 564730680 /nfs/dbraw/zinc/73/06/80/564730680.db2.gz UZNROJXMELRXIW-LLVKDONJSA-N 0 0 396.241 2.944 20 5 GFBDRN CNc1nccc(C(=O)N(C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000577310717 564733534 /nfs/dbraw/zinc/73/35/34/564733534.db2.gz HTTPUKIDYOMCLY-UHFFFAOYSA-N 0 0 385.243 2.550 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2cc(Br)cc(F)c2C1 ZINC000527278227 564736440 /nfs/dbraw/zinc/73/64/40/564736440.db2.gz AWMDSLRDBZVCKM-UHFFFAOYSA-N 0 0 397.204 2.668 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c(C)cc1[N+](=O)[O-] ZINC000577997285 564739062 /nfs/dbraw/zinc/73/90/62/564739062.db2.gz KYDKVFLPYILHRT-XJKSGUPXSA-N 0 0 386.495 2.545 20 5 GFBDRN CCc1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000553868034 564741850 /nfs/dbraw/zinc/74/18/50/564741850.db2.gz GSVNQSVGBVTSEH-JTQLQIEISA-N 0 0 380.451 2.919 20 5 GFBDRN CC(C)c1nnc(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000490436902 564770599 /nfs/dbraw/zinc/77/05/99/564770599.db2.gz MWCOFZGWJWMDTC-UHFFFAOYSA-N 0 0 390.874 2.744 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000490472006 564773491 /nfs/dbraw/zinc/77/34/91/564773491.db2.gz UOKMQLOAJZSDIO-GFCCVEGCSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000490576616 564777174 /nfs/dbraw/zinc/77/71/74/564777174.db2.gz CUXNSWNZNYWJPW-MEDUHNTESA-N 0 0 382.463 2.946 20 5 GFBDRN Cn1nnc2ccc(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)cc21 ZINC000580967189 564782525 /nfs/dbraw/zinc/78/25/25/564782525.db2.gz DWGOPZHCOZQSPO-UHFFFAOYSA-N 0 0 376.170 2.891 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000581175920 564791471 /nfs/dbraw/zinc/79/14/71/564791471.db2.gz HVBWRYHBABPCLO-TZMCWYRMSA-N 0 0 381.226 2.998 20 5 GFBDRN CCN(CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491592227 564793863 /nfs/dbraw/zinc/79/38/63/564793863.db2.gz SLBYCTQOVYQVFB-UHFFFAOYSA-N 0 0 383.392 2.685 20 5 GFBDRN Cc1ccnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000581239112 564794411 /nfs/dbraw/zinc/79/44/11/564794411.db2.gz OSYOXODPCGYKLY-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN COc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(OC)n1 ZINC000461469495 564798755 /nfs/dbraw/zinc/79/87/55/564798755.db2.gz ZSKQODAAIWKMIZ-UHFFFAOYSA-N 0 0 396.197 2.700 20 5 GFBDRN CC(C)(C(=O)Nc1c[nH]cc(Br)c1=O)c1ccccc1[N+](=O)[O-] ZINC000492193695 564799543 /nfs/dbraw/zinc/79/95/43/564799543.db2.gz FDKPAMOKQWMYQQ-UHFFFAOYSA-N 0 0 380.198 2.962 20 5 GFBDRN Cc1cc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949675 564809776 /nfs/dbraw/zinc/80/97/76/564809776.db2.gz WFFUCWCPOJCRBX-JTQLQIEISA-N 0 0 381.376 2.615 20 5 GFBDRN COC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000494326008 564824689 /nfs/dbraw/zinc/82/46/89/564824689.db2.gz GLASSFFXDKCBTG-LBPRGKRZSA-N 0 0 390.483 2.755 20 5 GFBDRN O=C(NCc1cccc(F)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556505485 564828911 /nfs/dbraw/zinc/82/89/11/564828911.db2.gz KBIZOOJZRVUGSB-UHFFFAOYSA-N 0 0 396.172 2.751 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000556568367 564830903 /nfs/dbraw/zinc/83/09/03/564830903.db2.gz HYPVNGCGMFHHOK-JTQLQIEISA-N 0 0 379.214 2.607 20 5 GFBDRN Cn1nc2c(c1CNC(=O)c1ccc([N+](=O)[O-])cc1Br)CCCC2 ZINC000462617846 564852683 /nfs/dbraw/zinc/85/26/83/564852683.db2.gz AJWIHWWVWKEOAZ-UHFFFAOYSA-N 0 0 393.241 2.900 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](O)C12CCCC2 ZINC000495530940 564854275 /nfs/dbraw/zinc/85/42/75/564854275.db2.gz PIWSJSRZXNVPFT-CQSZACIVSA-N 0 0 383.242 2.806 20 5 GFBDRN CSc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC000496243789 564860386 /nfs/dbraw/zinc/86/03/86/564860386.db2.gz IBGKYKDXWPGUDL-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN CC1(C)[C@H](O)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000462872479 564861614 /nfs/dbraw/zinc/86/16/14/564861614.db2.gz DYDLATLAWXBROQ-GFCCVEGCSA-N 0 0 376.194 2.545 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(COc2nnc3ccccn32)c1 ZINC000557530804 564866413 /nfs/dbraw/zinc/86/64/13/564866413.db2.gz LQUYWZCXEBENRP-UHFFFAOYSA-N 0 0 396.144 2.821 20 5 GFBDRN O=C1CC[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])CCN12 ZINC000497536531 564870336 /nfs/dbraw/zinc/87/03/36/564870336.db2.gz WKBQYBGKCIBGMH-NSHDSACASA-N 0 0 391.225 2.717 20 5 GFBDRN O=C(Nc1nc(CN2CCOCC2)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497664819 564872928 /nfs/dbraw/zinc/87/29/28/564872928.db2.gz RLYTZNNLEVKPIS-UHFFFAOYSA-N 0 0 382.829 2.789 20 5 GFBDRN CC(C)n1cc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000497951238 564881620 /nfs/dbraw/zinc/88/16/20/564881620.db2.gz PNNLFBRMAVPZDJ-HNNXBMFYSA-N 0 0 382.467 2.809 20 5 GFBDRN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000557915679 564884251 /nfs/dbraw/zinc/88/42/51/564884251.db2.gz DMODGQDPVWHMEZ-CQSZACIVSA-N 0 0 390.193 2.503 20 5 GFBDRN O=C(CSc1ccccc1[N+](=O)[O-])NCCCn1cc(Br)cn1 ZINC000557985269 564887307 /nfs/dbraw/zinc/88/73/07/564887307.db2.gz JGQCURSLVCIWPY-UHFFFAOYSA-N 0 0 399.270 2.852 20 5 GFBDRN C[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000583593021 564898574 /nfs/dbraw/zinc/89/85/74/564898574.db2.gz IBZRQJZBWSKJME-HZMBPMFUSA-N 0 0 390.221 2.792 20 5 GFBDRN CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498583771 564903572 /nfs/dbraw/zinc/90/35/72/564903572.db2.gz MMFNAZLNYMFZNT-UWVGGRQHSA-N 0 0 385.136 2.789 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCO[C@@]2(CCSC2)C1 ZINC000583935903 564913541 /nfs/dbraw/zinc/91/35/41/564913541.db2.gz KHQHIVNNSPCZAY-AWEZNQCLSA-N 0 0 376.356 2.962 20 5 GFBDRN CCSCC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000464692368 564915597 /nfs/dbraw/zinc/91/55/97/564915597.db2.gz RENIBXQDLMIEDO-NWDGAFQWSA-N 0 0 385.511 2.909 20 5 GFBDRN CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000499355478 564924588 /nfs/dbraw/zinc/92/45/88/564924588.db2.gz CTNLDXNDSFPBQF-UHFFFAOYSA-N 0 0 380.198 2.572 20 5 GFBDRN COC(=O)c1cncc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000499548092 564930344 /nfs/dbraw/zinc/93/03/44/564930344.db2.gz RTBYFBLRDFHPIU-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CCOc2cc(F)c(Br)cc21 ZINC000559479129 564933734 /nfs/dbraw/zinc/93/37/34/564933734.db2.gz DJBJBHGDSFHNOY-UHFFFAOYSA-N 0 0 398.188 2.557 20 5 GFBDRN CCSCCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499710730 564934649 /nfs/dbraw/zinc/93/46/49/564934649.db2.gz UVGILAOAGWJMCK-UHFFFAOYSA-N 0 0 383.289 2.779 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](OCc2ccccn2)C1 ZINC000559938441 564942309 /nfs/dbraw/zinc/94/23/09/564942309.db2.gz ASJTVORJHUAMKG-ZDUSSCGKSA-N 0 0 379.214 2.943 20 5 GFBDRN COc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000466544884 564943382 /nfs/dbraw/zinc/94/33/82/564943382.db2.gz LXDJSAJHAVFYNC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CN(CC(=O)Nc1cccc(F)c1)c1c(Br)cncc1[N+](=O)[O-] ZINC000500252365 564948952 /nfs/dbraw/zinc/94/89/52/564948952.db2.gz JTJZDSFMFQGURG-UHFFFAOYSA-N 0 0 383.177 2.966 20 5 GFBDRN CN(c1cccc(O)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533005465 564951594 /nfs/dbraw/zinc/95/15/94/564951594.db2.gz LGOPOUXTUBMOBN-UHFFFAOYSA-N 0 0 387.211 2.888 20 5 GFBDRN Cc1ccc(CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000560172460 564952657 /nfs/dbraw/zinc/95/26/57/564952657.db2.gz QGERFSXHPLIXIN-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000533092627 564954388 /nfs/dbraw/zinc/95/43/88/564954388.db2.gz RWDWMONRZYLXJS-LBPRGKRZSA-N 0 0 384.841 2.820 20 5 GFBDRN COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCCC1 ZINC000467062496 564954558 /nfs/dbraw/zinc/95/45/58/564954558.db2.gz ZDGVRAGIPQBJOG-GFCCVEGCSA-N 0 0 390.483 2.755 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467079586 564954931 /nfs/dbraw/zinc/95/49/31/564954931.db2.gz PQZOCYWUDISPDM-LBPRGKRZSA-N 0 0 378.472 2.609 20 5 GFBDRN O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1cncc(Br)c1 ZINC000533124376 564955522 /nfs/dbraw/zinc/95/55/22/564955522.db2.gz CJKKVSTUJROFQH-UHFFFAOYSA-N 0 0 398.238 2.894 20 5 GFBDRN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc([N+](=O)[O-])s1 ZINC000500552268 564956788 /nfs/dbraw/zinc/95/67/88/564956788.db2.gz HOWANYDSHOTWBY-QMMMGPOBSA-N 0 0 383.788 2.984 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000467398700 564961575 /nfs/dbraw/zinc/96/15/75/564961575.db2.gz ANIDXJLBJNEPHW-HNNXBMFYSA-N 0 0 382.463 2.899 20 5 GFBDRN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000560457204 564963460 /nfs/dbraw/zinc/96/34/60/564963460.db2.gz NXZMHIWVKPBMEM-UHFFFAOYSA-N 0 0 395.213 2.516 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000501002535 564967716 /nfs/dbraw/zinc/96/77/16/564967716.db2.gz UNNCEHQUTMOWRT-AWEZNQCLSA-N 0 0 382.825 2.844 20 5 GFBDRN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501119703 564971421 /nfs/dbraw/zinc/97/14/21/564971421.db2.gz LOXYGBFXZWMMKI-NEPJUHHUSA-N 0 0 385.218 2.523 20 5 GFBDRN CCO[C@@H]1COCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501126958 564971555 /nfs/dbraw/zinc/97/15/55/564971555.db2.gz YKLNUPDPXHLVGA-CHWSQXEVSA-N 0 0 388.218 2.673 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000501157450 564972629 /nfs/dbraw/zinc/97/26/29/564972629.db2.gz KHZKENNVSPXLQD-LBPRGKRZSA-N 0 0 381.223 2.788 20 5 GFBDRN C[C@H]1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CS1 ZINC000560761041 564974857 /nfs/dbraw/zinc/97/48/57/564974857.db2.gz JHTWDFUEYLQWSB-OIBJUYFYSA-N 0 0 392.218 2.823 20 5 GFBDRN CC(C)CS(=O)(=O)CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501272397 564975241 /nfs/dbraw/zinc/97/52/41/564975241.db2.gz UFTKIHRTSGZYPD-UHFFFAOYSA-N 0 0 393.259 2.757 20 5 GFBDRN CC(=O)N[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000501284871 564975967 /nfs/dbraw/zinc/97/59/67/564975967.db2.gz MUKORYPYLIZWOD-AWEZNQCLSA-N 0 0 384.230 2.991 20 5 GFBDRN NC(=O)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000468007095 564976806 /nfs/dbraw/zinc/97/68/06/564976806.db2.gz VSJSQNJACJBMCZ-ZDUSSCGKSA-N 0 0 393.197 2.705 20 5 GFBDRN Cc1nn(C)c(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000468186737 564979865 /nfs/dbraw/zinc/97/98/65/564979865.db2.gz CFLRXCBMQSIYNF-UHFFFAOYSA-N 0 0 396.245 2.713 20 5 GFBDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501482227 564981433 /nfs/dbraw/zinc/98/14/33/564981433.db2.gz ROYMQAXMIYRVFD-MRVPVSSYSA-N 0 0 385.193 2.591 20 5 GFBDRN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000501651961 564984308 /nfs/dbraw/zinc/98/43/08/564984308.db2.gz VRZQJOIZHJJWDW-ZDUSSCGKSA-N 0 0 396.197 2.672 20 5 GFBDRN COCC1(O)CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000534634692 564993514 /nfs/dbraw/zinc/99/35/14/564993514.db2.gz WJTQQMZKTKAJEI-UHFFFAOYSA-N 0 0 396.241 2.883 20 5 GFBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1cc[nH]c(=O)c1 ZINC000502208464 564994128 /nfs/dbraw/zinc/99/41/28/564994128.db2.gz NGSJQOULPBJGOF-SECBINFHSA-N 0 0 380.198 2.878 20 5 GFBDRN O=c1nc(-c2ccc([N+](=O)[O-])s2)[nH]c2sc3c(c21)CCS(=O)(=O)C3 ZINC000468959165 565000913 /nfs/dbraw/zinc/00/09/13/565000913.db2.gz LNTDBMNNKUUFSB-UHFFFAOYSA-N 0 0 383.432 2.505 20 5 GFBDRN COc1ccc(CC(=O)Nc2cc(OC)c(Br)cn2)cc1[N+](=O)[O-] ZINC000534999884 565001477 /nfs/dbraw/zinc/00/14/77/565001477.db2.gz YOUPKWVPMPFXLT-UHFFFAOYSA-N 0 0 396.197 2.951 20 5 GFBDRN COc1ccc(Br)cc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000535624496 565017354 /nfs/dbraw/zinc/01/73/54/565017354.db2.gz VALGOVGMJZENDA-UHFFFAOYSA-N 0 0 396.241 2.660 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000504193969 565036497 /nfs/dbraw/zinc/03/64/97/565036497.db2.gz DSIUXXYDBSYVMY-CYBMUJFWSA-N 0 0 386.495 2.746 20 5 GFBDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470198173 565040469 /nfs/dbraw/zinc/04/04/69/565040469.db2.gz PBKAIIBJKUQMQY-UHFFFAOYSA-N 0 0 382.825 2.624 20 5 GFBDRN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000470316413 565043238 /nfs/dbraw/zinc/04/32/38/565043238.db2.gz HYXMLYOYXRUEHV-UHFFFAOYSA-N 0 0 390.197 2.801 20 5 GFBDRN COC(=O)c1cncc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000562851189 565045445 /nfs/dbraw/zinc/04/54/45/565045445.db2.gz PUMCOCARZAUVNY-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CNc1cc(F)c(F)cc1I ZINC000470543833 565049310 /nfs/dbraw/zinc/04/93/10/565049310.db2.gz YMXSWYBLLZSTIE-UHFFFAOYSA-N 0 0 394.119 2.823 20 5 GFBDRN CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000470614014 565050704 /nfs/dbraw/zinc/05/07/04/565050704.db2.gz PSUZIPZOPLOTHM-MRVPVSSYSA-N 0 0 399.252 2.862 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000537869926 565063981 /nfs/dbraw/zinc/06/39/81/565063981.db2.gz OQQDWCPLVYYTJK-ZDUSSCGKSA-N 0 0 393.259 2.513 20 5 GFBDRN CCc1ccc(C(=O)N(C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000584677875 565090622 /nfs/dbraw/zinc/09/06/22/565090622.db2.gz SWBIITORGPBJGM-UHFFFAOYSA-N 0 0 381.230 2.888 20 5 GFBDRN COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000585750457 565109489 /nfs/dbraw/zinc/10/94/89/565109489.db2.gz CUQMTHVNDPNEIP-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000586772043 565115868 /nfs/dbraw/zinc/11/58/68/565115868.db2.gz IUKHEWUYVZAOJB-XVKPBYJWSA-N 0 0 388.751 2.589 20 5 GFBDRN O=C(N1CCCC1)[C@@]1(O)CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000588060347 565124025 /nfs/dbraw/zinc/12/40/25/565124025.db2.gz MHOPSYRQYZLIBW-MRXNPFEDSA-N 0 0 388.251 2.855 20 5 GFBDRN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000588040794 565124031 /nfs/dbraw/zinc/12/40/31/565124031.db2.gz PWCHMHKPMRFWSJ-NSHDSACASA-N 0 0 377.413 2.717 20 5 GFBDRN CN(CCc1ccc(Br)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589570934 565166363 /nfs/dbraw/zinc/16/63/63/565166363.db2.gz FPUSUYUBQCVFMG-UHFFFAOYSA-N 0 0 379.214 2.530 20 5 GFBDRN Cc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616057541 565187754 /nfs/dbraw/zinc/18/77/54/565187754.db2.gz NCWDFCIRKGMIEB-XJKSGUPXSA-N 0 0 384.274 2.701 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000590551332 565191955 /nfs/dbraw/zinc/19/19/55/565191955.db2.gz UWSLDUXZFABPKB-LLVKDONJSA-N 0 0 383.451 2.579 20 5 GFBDRN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000616394662 565199187 /nfs/dbraw/zinc/19/91/87/565199187.db2.gz JUYYZUQJTLLAOU-MCCHPSBSSA-N 0 0 394.234 2.545 20 5 GFBDRN Cc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000591260906 565219833 /nfs/dbraw/zinc/21/98/33/565219833.db2.gz POHPQTYMPRUNGB-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN C[C@@H]1CC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591327540 565224150 /nfs/dbraw/zinc/22/41/50/565224150.db2.gz OXLRUYNVQMFYHJ-RKDXNWHRSA-N 0 0 382.360 2.848 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000591845558 565241491 /nfs/dbraw/zinc/24/14/91/565241491.db2.gz KWONMFUXMKZCMS-UHFFFAOYSA-N 0 0 385.258 2.986 20 5 GFBDRN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)CCOCC2CCC2)cc1 ZINC000592040028 565248965 /nfs/dbraw/zinc/24/89/65/565248965.db2.gz RPPFULAKRLVTQD-MRXNPFEDSA-N 0 0 386.495 2.789 20 5 GFBDRN C[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])n1cc(Br)cn1 ZINC000592578679 565283376 /nfs/dbraw/zinc/28/33/76/565283376.db2.gz OBMIPNLBDPPCIY-LLVKDONJSA-N 0 0 396.245 2.733 20 5 GFBDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592705797 565289716 /nfs/dbraw/zinc/28/97/16/565289716.db2.gz ZFJHOXFMWXMCMK-UPJWGTAASA-N 0 0 389.271 2.996 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@@H](O)COc2cc(F)c(Cl)cc2Br)c1 ZINC000619506732 565345773 /nfs/dbraw/zinc/34/57/73/565345773.db2.gz GQCHVIGDGCKKIT-MRVPVSSYSA-N 0 0 394.584 2.786 20 5 GFBDRN Cc1c(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000619540802 565348334 /nfs/dbraw/zinc/34/83/34/565348334.db2.gz VTPYXPBMDWMFCY-CHIMOYNISA-N 0 0 384.230 2.900 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593627121 565349360 /nfs/dbraw/zinc/34/93/60/565349360.db2.gz QXYNWAKPUZBLKN-UHFFFAOYSA-N 0 0 382.335 2.791 20 5 GFBDRN Cc1nccnc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000619651802 565354431 /nfs/dbraw/zinc/35/44/31/565354431.db2.gz HXWSDWGVUQYDBM-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCCC[C@H]2CO)c1 ZINC000594016808 565372279 /nfs/dbraw/zinc/37/22/79/565372279.db2.gz IQJNVKMYMVDGRP-ZDUSSCGKSA-N 0 0 390.221 2.936 20 5 GFBDRN Cc1sc(S(=O)(=O)N(CC(=O)OC(C)(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000594484433 565395022 /nfs/dbraw/zinc/39/50/22/565395022.db2.gz ROJWKYBBQFSJDI-UHFFFAOYSA-N 0 0 390.483 2.850 20 5 GFBDRN C[C@@H]1SCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000594752597 565414072 /nfs/dbraw/zinc/41/40/72/565414072.db2.gz DVFJMVYCALRBQN-WFASDCNBSA-N 0 0 379.463 2.857 20 5 GFBDRN Cc1ccc([C@H]2CSCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594752696 565414369 /nfs/dbraw/zinc/41/43/69/565414369.db2.gz GFOUDYIMCDCEMU-OAHLLOKOSA-N 0 0 379.463 2.777 20 5 GFBDRN O=[N+]([O-])c1cnc2c(c1)CN(S(=O)(=O)Cc1cc(F)ccc1Cl)CC2 ZINC000594774093 565418660 /nfs/dbraw/zinc/41/86/60/565418660.db2.gz XGFGNQITPRVSAS-UHFFFAOYSA-N 0 0 385.804 2.670 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)s1 ZINC000594840592 565428605 /nfs/dbraw/zinc/42/86/05/565428605.db2.gz ROGVQOZXVDBAKW-AWEZNQCLSA-N 0 0 384.435 2.792 20 5 GFBDRN C[C@@]1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594851257 565429096 /nfs/dbraw/zinc/42/90/96/565429096.db2.gz ILJLSPSPGJUVEJ-JTQLQIEISA-N 0 0 385.186 2.681 20 5 GFBDRN C[C@@]12COC[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000594855816 565430580 /nfs/dbraw/zinc/43/05/80/565430580.db2.gz HAZNRCKWJBYPHP-AMIZOPFISA-N 0 0 381.237 2.559 20 5 GFBDRN C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)O1 ZINC000594853321 565430623 /nfs/dbraw/zinc/43/06/23/565430623.db2.gz XLSZDHQYMACDDG-SKDRFNHKSA-N 0 0 393.259 2.593 20 5 GFBDRN C[C@H](NC(=O)[C@H](C)Sc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000594901214 565434646 /nfs/dbraw/zinc/43/46/46/565434646.db2.gz GVVAXCJBKRWUBN-IUCAKERBSA-N 0 0 381.845 2.809 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000595397997 565473988 /nfs/dbraw/zinc/47/39/88/565473988.db2.gz ZAMFWDXMZDOVMD-VIFPVBQESA-N 0 0 388.751 2.590 20 5 GFBDRN C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595734089 565489662 /nfs/dbraw/zinc/48/96/62/565489662.db2.gz UWSIGWHGUJZOII-MSRIBSCDSA-N 0 0 390.221 2.648 20 5 GFBDRN CN(Cc1ncnn1CC(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000596215247 565515351 /nfs/dbraw/zinc/51/53/51/565515351.db2.gz PZJQRJMFJQIVFY-UHFFFAOYSA-N 0 0 376.161 2.850 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ZINC000823645526 607327718 /nfs/dbraw/zinc/32/77/18/607327718.db2.gz SVTOGLDFBGFMLO-MRXNPFEDSA-N 0 0 383.412 2.676 20 5 GFBDRN CN(Cc1ccc(Br)o1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000821609780 607346247 /nfs/dbraw/zinc/34/62/47/607346247.db2.gz LMMATAVLVPJPQO-UHFFFAOYSA-N 0 0 379.174 2.767 20 5 GFBDRN CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000736637809 598309214 /nfs/dbraw/zinc/30/92/14/598309214.db2.gz QTEORTVXTCGPIZ-UHFFFAOYSA-N 0 0 386.343 2.589 20 5 GFBDRN COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1cccc(C)c1 ZINC000736894318 598387535 /nfs/dbraw/zinc/38/75/35/598387535.db2.gz URZITYHZQIPSRQ-AWEZNQCLSA-N 0 0 396.407 2.527 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1 ZINC000738370396 598467897 /nfs/dbraw/zinc/46/78/97/598467897.db2.gz PPORFBFMIKKTFC-CQSZACIVSA-N 0 0 394.313 2.939 20 5 GFBDRN O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738320153 598493690 /nfs/dbraw/zinc/49/36/90/598493690.db2.gz RRRQGZVCXZJZQD-WQLSENKSSA-N 0 0 396.750 2.773 20 5 GFBDRN CC(C)(C)c1ccccc1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735652361 598537546 /nfs/dbraw/zinc/53/75/46/598537546.db2.gz HQLXJHHNOSNBBZ-UHFFFAOYSA-N 0 0 383.412 2.958 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[nH]n2)c1 ZINC000738375361 598678959 /nfs/dbraw/zinc/67/89/59/598678959.db2.gz YWVYCXOXXWEUDF-GFCCVEGCSA-N 0 0 396.194 2.622 20 5 GFBDRN O=[N+]([O-])c1c(N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)nc2ccccn21 ZINC000738358832 598815914 /nfs/dbraw/zinc/81/59/14/598815914.db2.gz PDJZJSOENHLWRC-UHFFFAOYSA-N 0 0 376.380 2.592 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736193939 599306566 /nfs/dbraw/zinc/30/65/66/599306566.db2.gz VEUQAYDYKSVMFV-LLVKDONJSA-N 0 0 384.421 2.919 20 5 GFBDRN C[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820351610 599422456 /nfs/dbraw/zinc/42/24/56/599422456.db2.gz QAEZLMRIKGUMCW-VXGBXAGGSA-N 0 0 381.396 2.896 20 5 GFBDRN O=C([O-])[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833171292 601013666 /nfs/dbraw/zinc/01/36/66/601013666.db2.gz NJQIHBBRQKKTHF-CJNGLKHVSA-N 0 0 376.800 2.955 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC1(Cl)Cl ZINC000826450241 607525163 /nfs/dbraw/zinc/52/51/63/607525163.db2.gz CJAZBEOXOCKOIO-YFKPBYRVSA-N 0 0 377.575 2.561 20 5 GFBDRN Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000826292896 607580516 /nfs/dbraw/zinc/58/05/16/607580516.db2.gz RCURNXJXWBJUEM-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN C[C@@H]1C[NH+](CCCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000828449346 604775953 /nfs/dbraw/zinc/77/59/53/604775953.db2.gz KLDCXIWANLQWAG-VXGBXAGGSA-N 0 0 396.400 2.503 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000834187094 605448972 /nfs/dbraw/zinc/44/89/72/605448972.db2.gz YHDWAHDKHICUEU-AEGPPILISA-N 0 0 387.396 2.513 20 5 GFBDRN 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VJLKNNUCAQACIF-UHFFFAOYSA-N 0 0 395.423 2.638 20 5 GFBDRN COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821638651 606757204 /nfs/dbraw/zinc/75/72/04/606757204.db2.gz FDUXASJIJLROTO-CYBMUJFWSA-N 0 0 396.407 2.591 20 5 GFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607583 606850773 /nfs/dbraw/zinc/85/07/73/606850773.db2.gz VCJCGIQPVZPBNB-MRXNPFEDSA-N 0 0 388.815 2.594 20 5 GFBDRN O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000823422408 606999066 /nfs/dbraw/zinc/99/90/66/606999066.db2.gz UGTVZANVUZBOOS-UHFFFAOYSA-N 0 0 379.254 2.549 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOC4(CCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645913 607133564 /nfs/dbraw/zinc/13/35/64/607133564.db2.gz VSLRSCLJZPPESE-LLVKDONJSA-N 0 0 381.396 2.837 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc(-c3nn[nH]n3)c2c1 ZINC000826499309 607822194 /nfs/dbraw/zinc/82/21/94/607822194.db2.gz DJLISONWFXXVMI-YMRXKLBXSA-N 0 0 393.407 2.693 20 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O=c1ccc(Br)cn1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753851610 655860310 /nfs/dbraw/zinc/86/03/10/655860310.db2.gz XJSOXGJARNABMA-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000754315408 655866206 /nfs/dbraw/zinc/86/62/06/655866206.db2.gz MBIJRKRXLNXINX-UHFFFAOYSA-N 0 0 394.160 2.698 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(Br)cc2)n1 ZINC000755574222 655885827 /nfs/dbraw/zinc/88/58/27/655885827.db2.gz JQJRVMFCTLRYIM-UHFFFAOYSA-N 0 0 382.170 2.613 20 5 GFBDRN CNc1nc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000756211294 655896873 /nfs/dbraw/zinc/89/68/73/655896873.db2.gz SOLBEFRCSZDDHT-ZETCQYMHSA-N 0 0 384.801 2.930 20 5 GFBDRN CC[C@H](C)C(=O)COC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000756393396 655899205 /nfs/dbraw/zinc/89/92/05/655899205.db2.gz MDVGWRMQVTZWIE-QMMMGPOBSA-N 0 0 391.161 2.971 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Oc2cc(Br)cc(C(=O)OC)c2)n1 ZINC000756749346 655904458 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COC(=O)c1cccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000773441803 656447709 /nfs/dbraw/zinc/44/77/09/656447709.db2.gz QMASWBDLCZQMNM-UHFFFAOYSA-N 0 0 395.165 2.896 20 5 GFBDRN CN(C(=O)COC(=O)c1ccoc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000773544277 656458976 /nfs/dbraw/zinc/45/89/76/656458976.db2.gz ZXNJTNHMEUWVBR-UHFFFAOYSA-N 0 0 383.154 2.770 20 5 GFBDRN CC(C)[C@@H](OC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000773603817 656461576 /nfs/dbraw/zinc/46/15/76/656461576.db2.gz JPUNSYJTHKKMEU-SECBINFHSA-N 0 0 379.232 2.688 20 5 GFBDRN O=C(Cc1cc[nH]c(=O)c1Br)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000773641354 656464334 /nfs/dbraw/zinc/46/43/34/656464334.db2.gz SLEJEJNQIRROEX-UHFFFAOYSA-N 0 0 397.181 2.623 20 5 GFBDRN Cc1nn(C)cc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000773888248 656475636 /nfs/dbraw/zinc/47/56/36/656475636.db2.gz IBOODFDIUPWPCX-UHFFFAOYSA-N 0 0 387.621 2.983 20 5 GFBDRN C[C@@H](CCS(C)(=O)=O)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000774833430 656560933 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GFBDRN Cc1csc([C@H](C)CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000182929259 552296471 /nfs/dbraw/zinc/29/64/71/552296471.db2.gz UMGHCRWSVRYOPH-MRVPVSSYSA-N 0 0 382.829 2.872 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000183539466 552312511 /nfs/dbraw/zinc/31/25/11/552312511.db2.gz WTQPRECLTSUQTE-NEPJUHHUSA-N 0 0 383.857 2.610 20 5 GFBDRN Cc1ccc(S(=O)(=O)NCCNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183558583 552312752 /nfs/dbraw/zinc/31/27/52/552312752.db2.gz VIHAKEHIBDCSBU-UHFFFAOYSA-N 0 0 383.857 2.625 20 5 GFBDRN CCC1(CC)CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[S@@]1=O ZINC000184314028 552331939 /nfs/dbraw/zinc/33/19/39/552331939.db2.gz LCVQMNJQGHQDGO-DEOSSOPVSA-N 0 0 388.511 2.523 20 5 GFBDRN CCN(CC(F)F)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000185814152 552371287 /nfs/dbraw/zinc/37/12/87/552371287.db2.gz AHIOKUXHRMABDD-UHFFFAOYSA-N 0 0 384.120 2.927 20 5 GFBDRN O=c1c(Br)cn(Cc2nc(-c3ccccc3F)no2)cc1[N+](=O)[O-] ZINC000187907112 552427617 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GFBDRN Cc1c(NC(=O)NC[C@H](O)C(F)(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000280656808 563348602 /nfs/dbraw/zinc/34/86/02/563348602.db2.gz CTKNOYONXCDFTI-VIFPVBQESA-N 0 0 386.124 2.710 20 5 GFBDRN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000369578035 563218202 /nfs/dbraw/zinc/21/82/02/563218202.db2.gz IVYKYDYXTJIENU-JTQLQIEISA-N 0 0 381.186 2.676 20 5 GFBDRN CC[C@H](COCC(F)(F)F)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000295039601 563226893 /nfs/dbraw/zinc/22/68/93/563226893.db2.gz WNBIJVRGBGQEPZ-SSDOTTSWSA-N 0 0 376.378 2.829 20 5 GFBDRN Cc1nc(C)c(CNc2c(I)cncc2[N+](=O)[O-])s1 ZINC000418876286 563228735 /nfs/dbraw/zinc/22/87/35/563228735.db2.gz GBBFSIPGTAKTHV-UHFFFAOYSA-N 0 0 390.206 2.702 20 5 GFBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)cn1 ZINC000369960572 563229288 /nfs/dbraw/zinc/22/92/88/563229288.db2.gz NOIMHPBUPXXYIK-NSHDSACASA-N 0 0 393.241 2.796 20 5 GFBDRN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000369958289 563229650 /nfs/dbraw/zinc/22/96/50/563229650.db2.gz GDKBUKDUPWZGTE-NSHDSACASA-N 0 0 393.241 2.796 20 5 GFBDRN Cc1csc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C(F)(F)F)n1 ZINC000295247338 563238217 /nfs/dbraw/zinc/23/82/17/563238217.db2.gz BYGKLAXXSKFEDK-LLVKDONJSA-N 0 0 377.348 2.675 20 5 GFBDRN Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c(Br)cc1[N+](=O)[O-] ZINC000278123361 563241592 /nfs/dbraw/zinc/24/15/92/563241592.db2.gz YNAJTHWEYWFLTM-STQMWFEESA-N 0 0 395.257 2.612 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000295346873 563243360 /nfs/dbraw/zinc/24/33/60/563243360.db2.gz GFXZWCQHSYIJQF-LLVKDONJSA-N 0 0 376.381 2.554 20 5 GFBDRN COc1cc(Cn2cnc(Br)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000295450634 563248436 /nfs/dbraw/zinc/24/84/36/563248436.db2.gz WIOAPYNCPSQNHL-UHFFFAOYSA-N 0 0 379.117 2.607 20 5 GFBDRN COC(=O)[C@H](C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000278413334 563254582 /nfs/dbraw/zinc/25/45/82/563254582.db2.gz ZJJQJWSNXFQVIV-ZETCQYMHSA-N 0 0 391.243 2.975 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295585769 563254845 /nfs/dbraw/zinc/25/48/45/563254845.db2.gz WCNOFLYZERNFGM-ZJUUUORDSA-N 0 0 382.360 2.955 20 5 GFBDRN COC(=O)CSCCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278489078 563258817 /nfs/dbraw/zinc/25/88/17/563258817.db2.gz JBLJTFXDPXRLEP-UHFFFAOYSA-N 0 0 380.344 2.526 20 5 GFBDRN CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCO1 ZINC000370921310 563259759 /nfs/dbraw/zinc/25/97/59/563259759.db2.gz BRAWWFCBHOBMMY-UHFFFAOYSA-N 0 0 393.259 2.547 20 5 GFBDRN Cc1c([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000371310148 563272540 /nfs/dbraw/zinc/27/25/40/563272540.db2.gz HCQVKOVHURAUOB-CYBMUJFWSA-N 0 0 384.845 2.816 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420752716 563283770 /nfs/dbraw/zinc/28/37/70/563283770.db2.gz NINYDMVVGYMIGD-JTQLQIEISA-N 0 0 382.360 2.957 20 5 GFBDRN Cc1cc(=O)n(C[C@](C)(O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000296360026 563284687 /nfs/dbraw/zinc/28/46/87/563284687.db2.gz VFJLVYITIZQWTD-HNNXBMFYSA-N 0 0 385.189 2.874 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCCCn1cc(Br)cn1 ZINC000279283083 563290539 /nfs/dbraw/zinc/29/05/39/563290539.db2.gz BSPHUTYCMQZRTP-UHFFFAOYSA-N 0 0 381.230 2.693 20 5 GFBDRN C[C@@H](O)C[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000279454791 563297167 /nfs/dbraw/zinc/29/71/67/563297167.db2.gz MHBIIMGYOTXAJC-GHMZBOCLSA-N 0 0 378.397 2.721 20 5 GFBDRN CC(C)(CCC(=O)NC[C@H](CO)Cc1ccccc1Br)[N+](=O)[O-] ZINC000296961942 563310222 /nfs/dbraw/zinc/31/02/22/563310222.db2.gz YIDRRJVUJGNOGM-GFCCVEGCSA-N 0 0 387.274 2.552 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)c1Cl ZINC000297179627 563318701 /nfs/dbraw/zinc/31/87/01/563318701.db2.gz SVBVQYFLGZFUHO-SECBINFHSA-N 0 0 391.236 2.734 20 5 GFBDRN CN(CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000280196350 563327131 /nfs/dbraw/zinc/32/71/31/563327131.db2.gz PIAFVUGMYFPJAH-UHFFFAOYSA-N 0 0 385.745 2.930 20 5 GFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000373076826 563327890 /nfs/dbraw/zinc/32/78/90/563327890.db2.gz BBINYTCMYYPLPW-SECBINFHSA-N 0 0 385.243 2.920 20 5 GFBDRN Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)n1 ZINC000373314382 563334530 /nfs/dbraw/zinc/33/45/30/563334530.db2.gz WWSGSWUSZRJOFM-UHFFFAOYSA-N 0 0 394.229 2.735 20 5 GFBDRN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@]2(CCCOC2)O1 ZINC000373650752 563345040 /nfs/dbraw/zinc/34/50/40/563345040.db2.gz ZRXIOJDVHMPVPW-SWLSCSKDSA-N 0 0 386.246 2.917 20 5 GFBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@]2(CCOC2)O1 ZINC000280617771 563345716 /nfs/dbraw/zinc/34/57/16/563345716.db2.gz RPTVCWAYSXIDPK-INIZCTEOSA-N 0 0 399.241 2.767 20 5 GFBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000373835389 563352542 /nfs/dbraw/zinc/35/25/42/563352542.db2.gz KLHDGDRXVBYYDG-ZUZCIYMTSA-N 0 0 388.251 2.694 20 5 GFBDRN Cc1ccc([C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280948510 563361553 /nfs/dbraw/zinc/36/15/53/563361553.db2.gz JUXRLPVYEUDICA-NHYWBVRUSA-N 0 0 382.463 2.869 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000281152500 563367913 /nfs/dbraw/zinc/36/79/13/563367913.db2.gz VGIKDQFSQPNCDO-NWDGAFQWSA-N 0 0 379.214 2.685 20 5 GFBDRN Cc1c(Br)cc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374488885 563374089 /nfs/dbraw/zinc/37/40/89/563374089.db2.gz PXIYONYEBCXKGI-WBMJQRKESA-N 0 0 399.241 2.734 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(c2nccs2)CC1 ZINC000281412247 563376538 /nfs/dbraw/zinc/37/65/38/563376538.db2.gz XBMVJRZHIKJQNN-UHFFFAOYSA-N 0 0 378.479 2.929 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375037499 563388524 /nfs/dbraw/zinc/38/85/24/563388524.db2.gz JIANOHVQJHGAGS-OAHLLOKOSA-N 0 0 382.189 2.989 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1Cl ZINC000281935483 563391185 /nfs/dbraw/zinc/39/11/85/563391185.db2.gz BFTRLXMJPRHFRR-UHFFFAOYSA-N 0 0 387.889 2.638 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H](O)c1ccco1 ZINC000301060207 563392471 /nfs/dbraw/zinc/39/24/71/563392471.db2.gz BTMKQHSMGYWPEX-LLVKDONJSA-N 0 0 380.300 2.627 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000375178857 563393617 /nfs/dbraw/zinc/39/36/17/563393617.db2.gz VKZNCHGCDGHRJA-ZDUSSCGKSA-N 0 0 383.788 2.762 20 5 GFBDRN Nc1nc(Sc2nnc(NCCc3cccs3)s2)ncc1[N+](=O)[O-] ZINC000301178232 563395822 /nfs/dbraw/zinc/39/58/22/563395822.db2.gz XRBJWZDGMUPAHB-UHFFFAOYSA-N 0 0 381.468 2.686 20 5 GFBDRN CC(C)(C)c1csc(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)n1 ZINC000301191609 563395960 /nfs/dbraw/zinc/39/59/60/563395960.db2.gz LWEYAZUWOJNMFT-UHFFFAOYSA-N 0 0 384.483 2.651 20 5 GFBDRN CC(=O)NCCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cc1Br ZINC000282134753 563398849 /nfs/dbraw/zinc/39/88/49/563398849.db2.gz AESGVNBDELYJRC-UHFFFAOYSA-N 0 0 399.270 2.957 20 5 GFBDRN CN(Cc1nccs1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000301439411 563403796 /nfs/dbraw/zinc/40/37/96/563403796.db2.gz NYNWYBJMEDNVCX-UHFFFAOYSA-N 0 0 381.357 2.981 20 5 GFBDRN C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)Oc1ccc(Cl)cc1 ZINC000301456939 563404163 /nfs/dbraw/zinc/40/41/63/563404163.db2.gz HWSGCHAUDKMATQ-JTQLQIEISA-N 0 0 385.829 2.775 20 5 GFBDRN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Oc1ccccc1Br ZINC000301520549 563405664 /nfs/dbraw/zinc/40/56/64/563405664.db2.gz GSUKCDZNDAUZLC-VIFPVBQESA-N 0 0 395.213 2.731 20 5 GFBDRN CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCOCC1 ZINC000301521500 563405748 /nfs/dbraw/zinc/40/57/48/563405748.db2.gz HADUXZCKTXKMLJ-LBPRGKRZSA-N 0 0 387.278 2.911 20 5 GFBDRN O=C(CNc1ncc([N+](=O)[O-])cc1Br)N1CCc2ccccc21 ZINC000301527136 563405797 /nfs/dbraw/zinc/40/57/97/563405797.db2.gz JNPBWEKYHJEOAJ-UHFFFAOYSA-N 0 0 377.198 2.754 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2nc(-c3ccncc3)no2)c(Br)c1 ZINC000301528731 563406127 /nfs/dbraw/zinc/40/61/27/563406127.db2.gz KDGGQIHOPJLBOJ-UHFFFAOYSA-N 0 0 377.158 2.809 20 5 GFBDRN C[C@H](O)CNC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301513636 563406148 /nfs/dbraw/zinc/40/61/48/563406148.db2.gz DPGZPYOHMIJSLM-VIFPVBQESA-N 0 0 396.197 2.655 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2cn(-c3ccccc3)nn2)c(Br)c1 ZINC000301543081 563406653 /nfs/dbraw/zinc/40/66/53/563406653.db2.gz CYNZOMARLGYGAW-UHFFFAOYSA-N 0 0 375.186 2.945 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[C@@]2(CCOC2)C1 ZINC000301598654 563408105 /nfs/dbraw/zinc/40/81/05/563408105.db2.gz HJLFFFVKAYCWRA-CYBMUJFWSA-N 0 0 380.344 2.505 20 5 GFBDRN COC(=O)[C@@]1(C)CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375537142 563408957 /nfs/dbraw/zinc/40/89/57/563408957.db2.gz LKKUEBBPFLHWII-AWEZNQCLSA-N 0 0 386.202 2.774 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](O)COc1ccc(F)cc1 ZINC000301701773 563411022 /nfs/dbraw/zinc/41/10/22/563411022.db2.gz TVKADROJFHAHIK-NSHDSACASA-N 0 0 386.177 2.743 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1[N+](=O)[O-] ZINC000282441111 563411917 /nfs/dbraw/zinc/41/19/17/563411917.db2.gz RRNPACCCAZCBBK-JTQLQIEISA-N 0 0 399.176 2.645 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCS[C@@H](c2ccccc2)C1 ZINC000301799497 563412374 /nfs/dbraw/zinc/41/23/74/563412374.db2.gz RQZLXBMFDOKCSG-OAHLLOKOSA-N 0 0 379.463 2.537 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1N1CCN(Cc2cccc(O)c2)CC1 ZINC000301837111 563413242 /nfs/dbraw/zinc/41/32/42/563413242.db2.gz MHGAGGLEYXRDCY-UHFFFAOYSA-N 0 0 393.241 2.780 20 5 GFBDRN CC(C)COC(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301852519 563413825 /nfs/dbraw/zinc/41/38/25/563413825.db2.gz AZRZWDCHLFRZPM-UHFFFAOYSA-N 0 0 387.234 2.667 20 5 GFBDRN COc1cc(OC)cc([C@@H](O)CNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000301886190 563414704 /nfs/dbraw/zinc/41/47/04/563414704.db2.gz MGUCJWZJOWZABG-AWEZNQCLSA-N 0 0 398.213 2.915 20 5 GFBDRN C[C@H](N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000301873707 563415030 /nfs/dbraw/zinc/41/50/30/563415030.db2.gz LKPHURULYSPUFC-QMMMGPOBSA-N 0 0 383.168 2.825 20 5 GFBDRN C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000301897460 563415613 /nfs/dbraw/zinc/41/56/13/563415613.db2.gz RGQGCEOICZHBIN-JTQLQIEISA-N 0 0 379.214 2.869 20 5 GFBDRN CC(C)c1nc2n(n1)CCC[C@@H]2Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301942214 563416977 /nfs/dbraw/zinc/41/69/77/563416977.db2.gz WTOZLYLAMGOANT-VIFPVBQESA-N 0 0 385.471 2.722 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282604420 563417392 /nfs/dbraw/zinc/41/73/92/563417392.db2.gz QZTLVSARRDFDIZ-GXSJLCMTSA-N 0 0 393.259 2.545 20 5 GFBDRN Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)no1 ZINC000375764416 563417637 /nfs/dbraw/zinc/41/76/37/563417637.db2.gz MTKGYUKRWKXHIS-SNVBAGLBSA-N 0 0 386.817 2.508 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2Cc3ccc(Br)cc3C2)c1 ZINC000302159199 563422138 /nfs/dbraw/zinc/42/21/38/563422138.db2.gz GHLWOQXHYDIUCB-UHFFFAOYSA-N 0 0 398.238 2.525 20 5 GFBDRN CO[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000302157780 563422299 /nfs/dbraw/zinc/42/22/99/563422299.db2.gz WZHWIQPSYMQKRJ-CYBMUJFWSA-N 0 0 385.829 2.695 20 5 GFBDRN C[C@@H]1CCCN(C(C)(C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302190343 563422761 /nfs/dbraw/zinc/42/27/61/563422761.db2.gz QSDPBNNPCUBEOC-LLVKDONJSA-N 0 0 375.516 2.982 20 5 GFBDRN CCOC(=O)c1cc(C(=O)N2CCC=C(Br)C2)cc([N+](=O)[O-])c1 ZINC000282741853 563422756 /nfs/dbraw/zinc/42/27/56/563422756.db2.gz OXAFZNFKRLWGLJ-UHFFFAOYSA-N 0 0 383.198 2.896 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H](CO)c1ccsc1 ZINC000302235395 563423813 /nfs/dbraw/zinc/42/38/13/563423813.db2.gz FEKWETFTTNMMKD-LLVKDONJSA-N 0 0 378.378 2.798 20 5 GFBDRN CCn1nccc1CN(CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425475951 563424044 /nfs/dbraw/zinc/42/40/44/563424044.db2.gz LGQVJLXAMBNHJR-UHFFFAOYSA-N 0 0 383.246 2.568 20 5 GFBDRN Cc1cc(Br)c2c(c1)CN(c1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000302360612 563424713 /nfs/dbraw/zinc/42/47/13/563424713.db2.gz CWTLJASUECMBDI-UHFFFAOYSA-N 0 0 391.225 2.722 20 5 GFBDRN NC(=O)c1coc(CNc2ccc(I)cc2[N+](=O)[O-])c1 ZINC000302414857 563425371 /nfs/dbraw/zinc/42/53/71/563425371.db2.gz LZMFTPUDMACCHE-UHFFFAOYSA-N 0 0 387.133 2.503 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCC[C@H]1CCO ZINC000302479507 563425407 /nfs/dbraw/zinc/42/54/07/563425407.db2.gz WCACKSKURNHXPE-GXSJLCMTSA-N 0 0 382.360 2.851 20 5 GFBDRN COC(=O)c1cc(C)nc(Sc2nnc(N3CCCC3)s2)c1[N+](=O)[O-] ZINC000283398115 563443841 /nfs/dbraw/zinc/44/38/41/563443841.db2.gz ADGWUOWRLVYBHD-UHFFFAOYSA-N 0 0 381.439 2.688 20 5 GFBDRN O=C(NCCOC(F)(F)F)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426194997 563446353 /nfs/dbraw/zinc/44/63/53/563446353.db2.gz CZUZXNWGCDOGGU-UHFFFAOYSA-N 0 0 375.225 2.949 20 5 GFBDRN COc1cccc(C(=O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000322245043 563449299 /nfs/dbraw/zinc/44/92/99/563449299.db2.gz BFEIWUBCVRJWQX-UHFFFAOYSA-N 0 0 381.182 2.719 20 5 GFBDRN CC(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284069023 563462987 /nfs/dbraw/zinc/46/29/87/563462987.db2.gz RPSUFCUFPDIKKC-UHFFFAOYSA-N 0 0 398.257 2.654 20 5 GFBDRN O=C(CCc1ccncn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284130179 563465169 /nfs/dbraw/zinc/46/51/69/563465169.db2.gz PDLDPHNLRBPAOO-UHFFFAOYSA-N 0 0 391.225 2.665 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000284294319 563469468 /nfs/dbraw/zinc/46/94/68/563469468.db2.gz IYTNAOOATCCKNW-NEPJUHHUSA-N 0 0 382.258 2.974 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000427710285 563472152 /nfs/dbraw/zinc/47/21/52/563472152.db2.gz NUGOVBJNTUOFDA-AWEZNQCLSA-N 0 0 395.209 2.829 20 5 GFBDRN CC[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1noc(-c2cccc(Br)c2)n1 ZINC000377373653 563472756 /nfs/dbraw/zinc/47/27/56/563472756.db2.gz MXYHADBLZFPEAM-SDDRHHMPSA-N 0 0 395.213 2.732 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)OC)c2Br)n1 ZINC000427781456 563475505 /nfs/dbraw/zinc/47/55/05/563475505.db2.gz SKXVFLDLNLNQHC-UHFFFAOYSA-N 0 0 397.185 2.613 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC000377840922 563487690 /nfs/dbraw/zinc/48/76/90/563487690.db2.gz WZUWTTBLSFDCCY-NOZJJQNGSA-N 0 0 378.809 2.577 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428442569 563492520 /nfs/dbraw/zinc/49/25/20/563492520.db2.gz MYXMHSZJXWFZJM-UHFFFAOYSA-N 0 0 382.825 2.890 20 5 GFBDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000428501975 563493625 /nfs/dbraw/zinc/49/36/25/563493625.db2.gz YXLXRXFGBBAWGF-LLVKDONJSA-N 0 0 399.163 2.672 20 5 GFBDRN Cc1c(NC[C@H]2CCCS(=O)(=O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000284981376 563497483 /nfs/dbraw/zinc/49/74/83/563497483.db2.gz BBZSLWOLUXRCBA-SNVBAGLBSA-N 0 0 377.260 2.902 20 5 GFBDRN Cc1cc(NC[C@@H](CO)Cc2cccc(Br)c2)ncc1[N+](=O)[O-] ZINC000428675813 563499447 /nfs/dbraw/zinc/49/94/47/563499447.db2.gz WMWIHHNLWPJGHC-ZDUSSCGKSA-N 0 0 380.242 2.746 20 5 GFBDRN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000330477574 563507370 /nfs/dbraw/zinc/50/73/70/563507370.db2.gz IVSQDSTZQPVGNA-LBPRGKRZSA-N 0 0 398.257 2.606 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCOC[C@@H]2CC(F)F)c1 ZINC000285256455 563511410 /nfs/dbraw/zinc/51/14/10/563511410.db2.gz CQGQDBWPTMXSRP-VIFPVBQESA-N 0 0 384.788 2.601 20 5 GFBDRN COC(=O)c1cnoc1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285284799 563512780 /nfs/dbraw/zinc/51/27/80/563512780.db2.gz KRWLHTFIWNGYFH-UHFFFAOYSA-N 0 0 396.197 2.690 20 5 GFBDRN CC[C@]1(C)COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330633153 563514887 /nfs/dbraw/zinc/51/48/87/563514887.db2.gz JOSJMIPWRAMREP-CYBMUJFWSA-N 0 0 393.259 2.547 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cncc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000387010654 563519520 /nfs/dbraw/zinc/51/95/20/563519520.db2.gz JFLOEKMRMJFYIA-VIFPVBQESA-N 0 0 386.227 2.792 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1c(F)cc(F)c(F)c1F ZINC000429903891 563528252 /nfs/dbraw/zinc/52/82/52/563528252.db2.gz BOWUREQZPHDSGL-UHFFFAOYSA-N 0 0 378.303 2.938 20 5 GFBDRN Cc1cccc(C(=O)N=c2cc3ccc(Br)cn3[nH]2)c1[N+](=O)[O-] ZINC000430091434 563532707 /nfs/dbraw/zinc/53/27/07/563532707.db2.gz SQTRNCPVYVFVKZ-UHFFFAOYSA-N 0 0 375.182 2.988 20 5 GFBDRN Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000400182496 563534402 /nfs/dbraw/zinc/53/44/02/563534402.db2.gz QAALFSZLCWSNSM-SNVBAGLBSA-N 0 0 392.275 2.502 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430151369 563536123 /nfs/dbraw/zinc/53/61/23/563536123.db2.gz BRIPWQPDLKXRAN-ZDUSSCGKSA-N 0 0 393.237 2.938 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000285786166 563536852 /nfs/dbraw/zinc/53/68/52/563536852.db2.gz UFAMBESPHKBRLL-NSHDSACASA-N 0 0 380.202 2.665 20 5 GFBDRN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000430345414 563541619 /nfs/dbraw/zinc/54/16/19/563541619.db2.gz QSUCZCKHQWSJOA-GFCCVEGCSA-N 0 0 384.230 2.861 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1 ZINC000285949740 563543124 /nfs/dbraw/zinc/54/31/24/563543124.db2.gz JZRSRLZILUERQZ-UHFFFAOYSA-N 0 0 388.808 2.679 20 5 GFBDRN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000408219863 563548164 /nfs/dbraw/zinc/54/81/64/563548164.db2.gz QYGATMBDFZLTQE-GXFFZTMASA-N 0 0 376.862 2.666 20 5 GFBDRN CC1(C)CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000408325345 563550406 /nfs/dbraw/zinc/55/04/06/563550406.db2.gz AHLMCNYZQZAWKF-MRXNPFEDSA-N 0 0 399.241 2.767 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286174012 563551027 /nfs/dbraw/zinc/55/10/27/563551027.db2.gz IYCBZPXQNTXLSV-BXKDBHETSA-N 0 0 378.372 2.950 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000331545662 563552869 /nfs/dbraw/zinc/55/28/69/563552869.db2.gz IEAWOTHWXBKFKB-ZDUSSCGKSA-N 0 0 384.845 2.990 20 5 GFBDRN CC(=O)N1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000431182181 563555923 /nfs/dbraw/zinc/55/59/23/563555923.db2.gz NRWZFZAMNCXVBG-UHFFFAOYSA-N 0 0 384.230 2.863 20 5 GFBDRN CNC(=O)c1ccc(N[C@@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000431505676 563561477 /nfs/dbraw/zinc/56/14/77/563561477.db2.gz JWXUPNHBOBDOLJ-QMMMGPOBSA-N 0 0 380.202 2.680 20 5 GFBDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409554793 563565005 /nfs/dbraw/zinc/56/50/05/563565005.db2.gz LVPNYQQUTMHWGT-KOLCDFICSA-N 0 0 381.376 2.743 20 5 GFBDRN NS(=O)(=O)c1ccc(N2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000432138439 563575716 /nfs/dbraw/zinc/57/57/16/563575716.db2.gz XHDLQAAJJXSFFG-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@](F)(CO)C1 ZINC000286838996 563576881 /nfs/dbraw/zinc/57/68/81/563576881.db2.gz PHHJUILZMDRZEA-CQSZACIVSA-N 0 0 375.194 2.602 20 5 GFBDRN Cc1cc(C)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(Br)c1 ZINC000432546565 563587039 /nfs/dbraw/zinc/58/70/39/563587039.db2.gz OIAGYRXHTAKHAD-UHFFFAOYSA-N 0 0 380.198 2.775 20 5 GFBDRN CN(C)c1cnc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cn1 ZINC000432546384 563587133 /nfs/dbraw/zinc/58/71/33/563587133.db2.gz NPDWWTVSDUNXCN-UHFFFAOYSA-N 0 0 391.185 2.930 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2COCC[C@H]21 ZINC000332316500 563592767 /nfs/dbraw/zinc/59/27/67/563592767.db2.gz HMPUGDFZYVQMTC-IUODEOHRSA-N 0 0 383.242 2.927 20 5 GFBDRN COC(=O)C1(N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000432846922 563595229 /nfs/dbraw/zinc/59/52/29/563595229.db2.gz QTMATCYSAYMUGR-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)c1 ZINC000410895917 563599176 /nfs/dbraw/zinc/59/91/76/563599176.db2.gz HHCJMBGJQJKFTM-GFCCVEGCSA-N 0 0 386.495 2.746 20 5 GFBDRN CCn1cccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c1=O ZINC000433658026 563617861 /nfs/dbraw/zinc/61/78/61/563617861.db2.gz AVWKRLMWSAYXIN-UHFFFAOYSA-N 0 0 386.227 2.530 20 5 GFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1cc[nH]c(=O)c1Br ZINC000288096692 563628957 /nfs/dbraw/zinc/62/89/57/563628957.db2.gz ANACJECTNJIJKG-UHFFFAOYSA-N 0 0 394.225 2.702 20 5 GFBDRN Cn1cc(Br)cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1=O ZINC000434338132 563629298 /nfs/dbraw/zinc/62/92/98/563629298.db2.gz HYOVCQINGIRFJC-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN Cc1c(NC(=O)NCCc2ccn(C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000435322748 563647412 /nfs/dbraw/zinc/64/74/12/563647412.db2.gz GLGSMWNBIDQGHS-UHFFFAOYSA-N 0 0 382.218 2.763 20 5 GFBDRN Cc1c(NC(=O)N[C@H](CO)CC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000435322596 563647651 /nfs/dbraw/zinc/64/76/51/563647651.db2.gz FCOZPCPQRNMREE-QMMMGPOBSA-N 0 0 382.161 2.803 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc(SC)cc1 ZINC000435590413 563654172 /nfs/dbraw/zinc/65/41/72/563654172.db2.gz VXQDYZFRPIUPBL-UHFFFAOYSA-N 0 0 382.463 2.846 20 5 GFBDRN CC[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000412628114 563664356 /nfs/dbraw/zinc/66/43/56/563664356.db2.gz BHLGMCGWBOASKO-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN CC[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC(F)(F)F ZINC000412655756 563665225 /nfs/dbraw/zinc/66/52/25/563665225.db2.gz LQSDJEFVEMOART-SECBINFHSA-N 0 0 382.360 2.707 20 5 GFBDRN CSc1cccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000412773762 563669238 /nfs/dbraw/zinc/66/92/38/563669238.db2.gz CSRMSILDMDMBTI-UHFFFAOYSA-N 0 0 384.479 2.500 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350824857 563677503 /nfs/dbraw/zinc/67/75/03/563677503.db2.gz QYPPSFHBPYMPEM-SSDOTTSWSA-N 0 0 386.436 2.807 20 5 GFBDRN COc1cc(-c2noc(-c3cc([N+](=O)[O-])nn3C)n2)cc(Br)c1O ZINC000436875680 563684248 /nfs/dbraw/zinc/68/42/48/563684248.db2.gz WAMDHCRMZPJBHV-UHFFFAOYSA-N 0 0 396.157 2.522 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)c(Cl)cc1Cl ZINC000289736999 563684693 /nfs/dbraw/zinc/68/46/93/563684693.db2.gz FOURQKXKXRRIGY-LDYMZIIASA-N 0 0 383.253 2.731 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(-c2nc(COC[C@@H]3CCOC3)no2)c1 ZINC000351407914 563689023 /nfs/dbraw/zinc/68/90/23/563689023.db2.gz LKMFBJKXIGRPJN-SECBINFHSA-N 0 0 384.186 2.960 20 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ZINC000290774888 563721576 /nfs/dbraw/zinc/72/15/76/563721576.db2.gz VSZZJRQZBWCSJC-INIZCTEOSA-N 0 0 382.463 2.960 20 5 GFBDRN Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363942595 563737856 /nfs/dbraw/zinc/73/78/56/563737856.db2.gz VLHAPZNHZVPVCF-CYBMUJFWSA-N 0 0 384.845 2.816 20 5 GFBDRN CCOCc1nc([C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1 ZINC000291362052 563740376 /nfs/dbraw/zinc/74/03/76/563740376.db2.gz BOPAKRBABOGCRB-QMMMGPOBSA-N 0 0 399.201 2.768 20 5 GFBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000364832961 563765205 /nfs/dbraw/zinc/76/52/05/563765205.db2.gz WDQUKRNZEVPIFM-UHFFFAOYSA-N 0 0 375.694 2.515 20 5 GFBDRN O=c1c(Br)cn(Cc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000364903994 563767707 /nfs/dbraw/zinc/76/77/07/563767707.db2.gz HITJVLRDTIBYQA-UHFFFAOYSA-N 0 0 375.182 2.753 20 5 GFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000364951499 563769567 /nfs/dbraw/zinc/76/95/67/563769567.db2.gz RDJAKISASCUSJQ-UHFFFAOYSA-N 0 0 394.229 2.613 20 5 GFBDRN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCS(=O)CC1 ZINC000442741021 563777547 /nfs/dbraw/zinc/77/75/47/563777547.db2.gz WEIZFRNHFVKSID-UHFFFAOYSA-N 0 0 376.459 2.951 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292741996 563794136 /nfs/dbraw/zinc/79/41/36/563794136.db2.gz HJBYKSZSRKQYEP-MRXNPFEDSA-N 0 0 387.889 2.663 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000366337564 563805602 /nfs/dbraw/zinc/80/56/02/563805602.db2.gz GSSICOCHEZCPKB-RISCZKNCSA-N 0 0 392.886 2.581 20 5 GFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000366452598 563808964 /nfs/dbraw/zinc/80/89/64/563808964.db2.gz MDJHUSPRACKDRK-WCQYABFASA-N 0 0 384.230 2.782 20 5 GFBDRN Cc1nnc2n1CCC[C@H]2NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000366634065 563816276 /nfs/dbraw/zinc/81/62/76/563816276.db2.gz KEZLBZNDBUKHKG-GFCCVEGCSA-N 0 0 394.229 2.831 20 5 GFBDRN O=C(NCC1(c2ccccc2Br)CCC1)c1[nH]ncc1[N+](=O)[O-] 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ZINC000445393515 563849167 /nfs/dbraw/zinc/84/91/67/563849167.db2.gz PIMGZUKYOUSPPM-UHFFFAOYSA-N 0 0 393.201 2.706 20 5 GFBDRN O=C(c1ccc(Cl)s1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294658502 563850125 /nfs/dbraw/zinc/85/01/25/563850125.db2.gz UQXXTXWHWDYJKT-UHFFFAOYSA-N 0 0 379.825 2.908 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2n[nH]c3ccc(Br)cc32)n1 ZINC000445573071 563850904 /nfs/dbraw/zinc/85/09/04/563850904.db2.gz UNTVCWOTKSDLGW-UHFFFAOYSA-N 0 0 390.157 2.684 20 5 GFBDRN COC[C@](C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000446032428 563857446 /nfs/dbraw/zinc/85/74/46/563857446.db2.gz ZAYWJBAJHYUNAZ-LBPRGKRZSA-N 0 0 399.163 2.983 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)[C@@H](C)O1 ZINC000446079345 563858203 /nfs/dbraw/zinc/85/82/03/563858203.db2.gz JFSRXXIUYUMHLX-GMTAPVOTSA-N 0 0 386.246 2.794 20 5 GFBDRN COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1C ZINC000446206656 563860822 /nfs/dbraw/zinc/86/08/22/563860822.db2.gz 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O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@]1(CCO)CCOC1 ZINC000474775755 564288988 /nfs/dbraw/zinc/28/89/88/564288988.db2.gz UAVQDCNLKYNSGI-INIZCTEOSA-N 0 0 396.241 2.528 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[S@](=O)C3)cc2[N+](=O)[O-])n1 ZINC000474969923 564295696 /nfs/dbraw/zinc/29/56/96/564295696.db2.gz QAVZBBWTZDIGEZ-FTJNGKRUSA-N 0 0 397.503 2.762 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000541924909 564295775 /nfs/dbraw/zinc/29/57/75/564295775.db2.gz QWHAAKALWRVXFT-YPMHNXCESA-N 0 0 377.198 2.852 20 5 GFBDRN Cc1ncsc1CCS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000451355011 564304750 /nfs/dbraw/zinc/30/47/50/564304750.db2.gz ALRNHTDYTKPJQQ-OAHLLOKOSA-N 0 0 399.519 2.980 20 5 GFBDRN CO[C@@H]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])c(C)c3Br)[C@H]2C1 ZINC000542504993 564316231 /nfs/dbraw/zinc/31/62/31/564316231.db2.gz MFMFGGHPRGCWOR-MDZLAQPJSA-N 0 0 386.246 2.833 20 5 GFBDRN COc1ccccc1OCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000542507585 564316260 /nfs/dbraw/zinc/31/62/60/564316260.db2.gz YWJQOBBPIXGKPJ-UHFFFAOYSA-N 0 0 382.214 2.982 20 5 GFBDRN Cc1c(Br)c(NCCNC(=O)CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000542505800 564316447 /nfs/dbraw/zinc/31/64/47/564316447.db2.gz LXWBOGSNFLIXAH-UHFFFAOYSA-N 0 0 399.289 2.981 20 5 GFBDRN CCc1ccc(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000566228993 564318511 /nfs/dbraw/zinc/31/85/11/564318511.db2.gz DQIWWWZAIPVUTM-XMMPIXPASA-N 0 0 382.463 2.837 20 5 GFBDRN Cc1ccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000542576407 564318629 /nfs/dbraw/zinc/31/86/29/564318629.db2.gz CHEQJGNAPPGAKC-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCCc1ccc(Br)cc1F ZINC000476191242 564329319 /nfs/dbraw/zinc/32/93/19/564329319.db2.gz MBRINGBBMHRHCE-UHFFFAOYSA-N 0 0 385.193 2.593 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000451635535 564334107 /nfs/dbraw/zinc/33/41/07/564334107.db2.gz XSKXLBMAIDLWST-UHFFFAOYSA-N 0 0 381.223 2.835 20 5 GFBDRN CCC1(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)CC1 ZINC000451690571 564340022 /nfs/dbraw/zinc/34/00/22/564340022.db2.gz OSSLXKOZODJKFK-UHFFFAOYSA-N 0 0 393.259 2.895 20 5 GFBDRN NS(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000510656403 564342199 /nfs/dbraw/zinc/34/21/99/564342199.db2.gz LQZUWIBEMSGNCV-UHFFFAOYSA-N 0 0 380.769 2.613 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451744252 564346757 /nfs/dbraw/zinc/34/67/57/564346757.db2.gz LCLBJFANSGIIKI-OAHLLOKOSA-N 0 0 384.841 2.911 20 5 GFBDRN COc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000451775150 564350278 /nfs/dbraw/zinc/35/02/78/564350278.db2.gz CQHWYLBPFOZFFP-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN CCCNC(=O)C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543436014 564350289 /nfs/dbraw/zinc/35/02/89/564350289.db2.gz BLLHUTZLQISYMM-UHFFFAOYSA-N 0 0 385.262 2.803 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000543619582 564356194 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382.398 2.754 20 5 GFBDRN CCOC(=O)C1CCC(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000511184529 564361538 /nfs/dbraw/zinc/36/15/38/564361538.db2.gz HRCMEIHJNBSQMQ-UHFFFAOYSA-N 0 0 390.483 2.789 20 5 GFBDRN COCc1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C(=O)OC ZINC000511172144 564361695 /nfs/dbraw/zinc/36/16/95/564361695.db2.gz MRFQCINFXFTKOQ-UHFFFAOYSA-N 0 0 385.785 2.890 20 5 GFBDRN COc1ccc2c(c1)CN(S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCO2 ZINC000451912474 564365775 /nfs/dbraw/zinc/36/57/75/564365775.db2.gz RIMFGPVGNRXCGU-UHFFFAOYSA-N 0 0 384.435 2.557 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ncc(Br)s3)C2)nc1 ZINC000544009857 564371539 /nfs/dbraw/zinc/37/15/39/564371539.db2.gz TWXHBJHBJXJAKZ-SECBINFHSA-N 0 0 384.259 2.895 20 5 GFBDRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000544072755 564373540 /nfs/dbraw/zinc/37/35/40/564373540.db2.gz BMNXDTNMKJKRGQ-LBPRGKRZSA-N 0 0 383.495 2.503 20 5 GFBDRN COC(=O)c1ccc(CNc2ncc([N+](=O)[O-])c(C)c2Br)cc1 ZINC000544409909 564386067 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O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000479138345 564426949 /nfs/dbraw/zinc/42/69/49/564426949.db2.gz REZFHXIYDKTVGU-LBPRGKRZSA-N 0 0 385.207 2.964 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000545537985 564427033 /nfs/dbraw/zinc/42/70/33/564427033.db2.gz JWENGBBQPNXSMN-UHFFFAOYSA-N 0 0 382.785 2.611 20 5 GFBDRN CC[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1I)OC ZINC000452732213 564428256 /nfs/dbraw/zinc/42/82/56/564428256.db2.gz UCMQBOIVEDOYGW-ZDUSSCGKSA-N 0 0 392.193 2.744 20 5 GFBDRN Cn1cc(Br)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000452760091 564430476 /nfs/dbraw/zinc/43/04/76/564430476.db2.gz YXHUQZWUJQWIKE-UHFFFAOYSA-N 0 0 381.230 2.685 20 5 GFBDRN COC(=O)Cc1csc(N(C)C(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000513574263 564433067 /nfs/dbraw/zinc/43/30/67/564433067.db2.gz OKGHARDUOBJBMD-UHFFFAOYSA-N 0 0 381.435 2.522 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452853807 564434965 /nfs/dbraw/zinc/43/49/65/564434965.db2.gz VNIAFJVDUUFKMR-CYBMUJFWSA-N 0 0 393.241 2.878 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)COc1ccccc1Br ZINC000568909127 564440800 /nfs/dbraw/zinc/44/08/00/564440800.db2.gz RONPFRDWGJTQCQ-NSHDSACASA-N 0 0 399.245 2.734 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000479585372 564444802 /nfs/dbraw/zinc/44/48/02/564444802.db2.gz AZARPFYOLCOOPW-IINYFYTJSA-N 0 0 399.241 2.700 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000569045776 564446364 /nfs/dbraw/zinc/44/63/64/564446364.db2.gz CXNMENAXBDHICJ-ZANVPECISA-N 0 0 393.259 2.512 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000514192616 564446898 /nfs/dbraw/zinc/44/68/98/564446898.db2.gz JQIYHTPDWVDEDG-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000569178793 564452717 /nfs/dbraw/zinc/45/27/17/564452717.db2.gz GWCMGRCFDCSAIF-VIFPVBQESA-N 0 0 381.376 2.678 20 5 GFBDRN Cc1cccc2[nH]c(=NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc21 ZINC000480120457 564461636 /nfs/dbraw/zinc/46/16/36/564461636.db2.gz OONJQDVYJYVLIV-UHFFFAOYSA-N 0 0 377.447 2.821 20 5 GFBDRN C[C@@]1(F)CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000453773704 564471123 /nfs/dbraw/zinc/47/11/23/564471123.db2.gz ARVUZHIUBYCZGS-CQSZACIVSA-N 0 0 388.193 2.646 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480409451 564471954 /nfs/dbraw/zinc/47/19/54/564471954.db2.gz IQNYAXITCFREAF-ZFWWWQNUSA-N 0 0 384.219 2.970 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2c[nH]c3cccc(Br)c23)n1 ZINC000569634168 564472438 /nfs/dbraw/zinc/47/24/38/564472438.db2.gz REKNKZKIOMQSNS-UHFFFAOYSA-N 0 0 392.213 2.545 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CCS(=O)(=O)C2)no1 ZINC000547116848 564477826 /nfs/dbraw/zinc/47/78/26/564477826.db2.gz UIJNXRUNDPRDFD-BDAKNGLRSA-N 0 0 387.801 2.673 20 5 GFBDRN Cc1cc2c(cc1S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1Cl)OCO2 ZINC000480875233 564493203 /nfs/dbraw/zinc/49/32/03/564493203.db2.gz NFAVDBVYGYTHGO-UHFFFAOYSA-N 0 0 384.797 2.764 20 5 GFBDRN O=C(NCc1cnn2ccccc12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570747443 564520139 /nfs/dbraw/zinc/52/01/39/564520139.db2.gz UVSYJRYXGBSJNJ-UHFFFAOYSA-N 0 0 375.182 2.935 20 5 GFBDRN CC(C)n1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000570785134 564521592 /nfs/dbraw/zinc/52/15/92/564521592.db2.gz LFIHRMPZSWARFI-UHFFFAOYSA-N 0 0 381.230 2.994 20 5 GFBDRN COc1cc(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)ccc1[N+](=O)[O-] ZINC000481871049 564527465 /nfs/dbraw/zinc/52/74/65/564527465.db2.gz UONIRXVBQANXNC-UHFFFAOYSA-N 0 0 384.797 2.993 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000482214181 564538513 /nfs/dbraw/zinc/53/85/13/564538513.db2.gz UEURIBLAFRJIBP-SSDOTTSWSA-N 0 0 375.332 2.529 20 5 GFBDRN O=C(NCc1ccc(Cl)s1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517653971 564539596 /nfs/dbraw/zinc/53/95/96/564539596.db2.gz PLVQGRUVAOGYGU-SNVBAGLBSA-N 0 0 383.813 2.824 20 5 GFBDRN C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571187281 564539803 /nfs/dbraw/zinc/53/98/03/564539803.db2.gz WIFIVMZCVFKCNY-TVQRCGJNSA-N 0 0 384.230 2.991 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000482541566 564544499 /nfs/dbraw/zinc/54/44/99/564544499.db2.gz YWTUNTSOGYHFLF-VIFPVBQESA-N 0 0 384.223 2.942 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483260978 564561848 /nfs/dbraw/zinc/56/18/48/564561848.db2.gz QYEAIUXFYWRLBL-NSHDSACASA-N 0 0 378.738 2.824 20 5 GFBDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714179 564570918 /nfs/dbraw/zinc/57/09/18/564570918.db2.gz FQBCOVZKUWLSOO-SNVBAGLBSA-N 0 0 393.241 2.916 20 5 GFBDRN CSCC1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000456036132 564585124 /nfs/dbraw/zinc/58/51/24/564585124.db2.gz AZUFYVFPUFNYIN-UHFFFAOYSA-N 0 0 386.495 2.650 20 5 GFBDRN CCSc1cccc(Br)c1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000484892523 564601158 /nfs/dbraw/zinc/60/11/58/564601158.db2.gz FEMSOVFMQXNQHP-UHFFFAOYSA-N 0 0 386.231 2.700 20 5 GFBDRN CNc1nccc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1[N+](=O)[O-] ZINC000520606290 564608279 /nfs/dbraw/zinc/60/82/79/564608279.db2.gz MQYXTULSFKIOOM-UHFFFAOYSA-N 0 0 381.219 2.959 20 5 GFBDRN CC(C)c1[nH]nc(C(=O)Nc2cc(N(C)C)c(Br)cn2)c1[N+](=O)[O-] ZINC000456660170 564623095 /nfs/dbraw/zinc/62/30/95/564623095.db2.gz IVAOIYQKYWZTPS-UHFFFAOYSA-N 0 0 397.233 2.917 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456690676 564624627 /nfs/dbraw/zinc/62/46/27/564624627.db2.gz LXTLNGAEKIOTDT-CPCISQLKSA-N 0 0 397.147 2.743 20 5 GFBDRN O=C(COc1cccc(Br)c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521350999 564624733 /nfs/dbraw/zinc/62/47/33/564624733.db2.gz LWLWYNRSDHKLKP-UHFFFAOYSA-N 0 0 395.209 2.931 20 5 GFBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CCO)C1CCSCC1 ZINC000521368791 564625809 /nfs/dbraw/zinc/62/58/09/564625809.db2.gz SRFFJIXZDBTHPO-UHFFFAOYSA-N 0 0 376.381 2.526 20 5 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CCc1n[nH]c(C(=O)N(C)Cc2cc(Br)ccc2OC)c1[N+](=O)[O-] ZINC000553546883 564725973 /nfs/dbraw/zinc/72/59/73/564725973.db2.gz SHPAXOVRBGEECG-UHFFFAOYSA-N 0 0 397.229 2.924 20 5 GFBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1Cl)OCCO2 ZINC000577141029 564726157 /nfs/dbraw/zinc/72/61/57/564726157.db2.gz WEQPSDGAFIYBBI-UHFFFAOYSA-N 0 0 388.760 2.959 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000553673221 564731981 /nfs/dbraw/zinc/73/19/81/564731981.db2.gz LVRBJYRVSIAGAR-ZYHUDNBSSA-N 0 0 379.214 2.929 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)CC(F)F ZINC000527255272 564735632 /nfs/dbraw/zinc/73/56/32/564735632.db2.gz PQZRUCPRTKIJNC-JTQLQIEISA-N 0 0 379.791 2.671 20 5 GFBDRN C[C@@H](C(=O)NCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1F ZINC000578150656 564741457 /nfs/dbraw/zinc/74/14/57/564741457.db2.gz BLYNTNHEEDULFI-SECBINFHSA-N 0 0 385.193 2.613 20 5 GFBDRN COCC1(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCOCC1 ZINC000580590755 564765924 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C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000468738521 564992050 /nfs/dbraw/zinc/99/20/50/564992050.db2.gz MBNPHTOGRVJOOC-JTQLQIEISA-N 0 0 383.451 2.620 20 5 GFBDRN Cn1c2ccccc2nc1CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000502109102 564992317 /nfs/dbraw/zinc/99/23/17/564992317.db2.gz SVZHMKSCUHRGJV-UHFFFAOYSA-N 0 0 377.198 2.648 20 5 GFBDRN COc1ccc(Cl)cc1CS(=O)(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534637393 564993587 /nfs/dbraw/zinc/99/35/87/564993587.db2.gz LKJSSGWHDTXUGT-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Oc1ccc(Br)cc1 ZINC000502358982 564996662 /nfs/dbraw/zinc/99/66/62/564996662.db2.gz CNOPFPYBAQTLHZ-SNVBAGLBSA-N 0 0 392.213 2.701 20 5 GFBDRN Cc1c(CNS(=O)(=O)c2cccnc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000561545434 565001132 /nfs/dbraw/zinc/00/11/32/565001132.db2.gz AXNFFFVKOFFMPR-UHFFFAOYSA-N 0 0 375.328 2.796 20 5 GFBDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561732871 565007467 /nfs/dbraw/zinc/00/74/67/565007467.db2.gz LEEKMNGTKNRMJJ-GFCCVEGCSA-N 0 0 398.257 2.736 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000503211591 565013549 /nfs/dbraw/zinc/01/35/49/565013549.db2.gz JSPFMNWJVAOZLC-OAHLLOKOSA-N 0 0 382.467 2.556 20 5 GFBDRN CCC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)C(=O)OC ZINC000562211233 565020483 /nfs/dbraw/zinc/02/04/83/565020483.db2.gz IJMPEAQOVSRBES-GFCCVEGCSA-N 0 0 392.193 2.631 20 5 GFBDRN O=C(NCCc1c[nH]c2cccc(Br)c12)c1cc([N+](=O)[O-])n[nH]1 ZINC000562220669 565020633 /nfs/dbraw/zinc/02/06/33/565020633.db2.gz XHFHFPJBWPPWGB-UHFFFAOYSA-N 0 0 378.186 2.534 20 5 GFBDRN COCCNC(=O)[C@H](CC(C)C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000535908758 565024467 /nfs/dbraw/zinc/02/44/67/565024467.db2.gz BDLFCZOBRYVUMN-ZDUSSCGKSA-N 0 0 388.262 2.947 20 5 GFBDRN COCCO[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000503601444 565024952 /nfs/dbraw/zinc/02/49/52/565024952.db2.gz FVVUFEPGDJPEPB-KGLIPLIRSA-N 0 0 375.219 2.590 20 5 GFBDRN Cc1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000562393544 565027613 /nfs/dbraw/zinc/02/76/13/565027613.db2.gz VILMUCDMPWZWJD-VIFPVBQESA-N 0 0 382.214 2.615 20 5 GFBDRN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000562407749 565028340 /nfs/dbraw/zinc/02/83/40/565028340.db2.gz JVUCMAKYSONARC-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000469960958 565033164 /nfs/dbraw/zinc/03/31/64/565033164.db2.gz CGNRCJJXQDAGPN-UHFFFAOYSA-N 0 0 386.476 2.712 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccs1 ZINC000536513745 565039208 /nfs/dbraw/zinc/03/92/08/565039208.db2.gz IBVGNNXFSMJTJQ-UHFFFAOYSA-N 0 0 381.435 2.637 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504592612 565042114 /nfs/dbraw/zinc/04/21/14/565042114.db2.gz MSNLWNMJEIERKN-SECBINFHSA-N 0 0 379.214 2.678 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000504634198 565042187 /nfs/dbraw/zinc/04/21/87/565042187.db2.gz FFLVYPPEUMKVBS-LLVKDONJSA-N 0 0 397.160 2.569 20 5 GFBDRN Cc1c(CC(=O)N[C@H](C)c2ncc(Br)cn2)cccc1[N+](=O)[O-] ZINC000562858854 565045255 /nfs/dbraw/zinc/04/52/55/565045255.db2.gz UFMWGYJZCXWUCB-SNVBAGLBSA-N 0 0 379.214 2.876 20 5 GFBDRN CS(=O)(=O)Nc1ccc(OCCNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000536895629 565048921 /nfs/dbraw/zinc/04/89/21/565048921.db2.gz DDVKTUNSYUIYJA-UHFFFAOYSA-N 0 0 386.817 2.506 20 5 GFBDRN COC(=O)[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H]1C ZINC000470573061 565049319 /nfs/dbraw/zinc/04/93/19/565049319.db2.gz GCEGRQDFZVSCSD-ONGXEEELSA-N 0 0 385.214 2.689 20 5 GFBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C2CC2)O1 ZINC000470694291 565053025 /nfs/dbraw/zinc/05/30/25/565053025.db2.gz PVEGPDVXEXFZOG-ZUZCIYMTSA-N 0 0 383.242 2.926 20 5 GFBDRN C[C@@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000537147382 565053767 /nfs/dbraw/zinc/05/37/67/565053767.db2.gz MWKAYHDWRMZDQH-LLVKDONJSA-N 0 0 394.225 2.787 20 5 GFBDRN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1Br ZINC000584387003 565077880 /nfs/dbraw/zinc/07/78/80/565077880.db2.gz ACEMARDFOIGSEZ-UHFFFAOYSA-N 0 0 382.170 2.735 20 5 GFBDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000586777962 565116003 /nfs/dbraw/zinc/11/60/03/565116003.db2.gz GTVKPGUURGTHLF-PRHODGIISA-N 0 0 381.738 2.838 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000614573158 565121199 /nfs/dbraw/zinc/12/11/99/565121199.db2.gz PEIOHGKGHJJDIF-GXSJLCMTSA-N 0 0 375.244 2.920 20 5 GFBDRN CC(C)(CC(F)(F)F)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000614897689 565137726 /nfs/dbraw/zinc/13/77/26/565137726.db2.gz SISBOGYJYASYED-UHFFFAOYSA-N 0 0 381.738 2.825 20 5 GFBDRN CCOc1ccc(NC(=O)CSc2nnc(CSC)o2)c([N+](=O)[O-])c1 ZINC000589041281 565147786 /nfs/dbraw/zinc/14/77/86/565147786.db2.gz PWTDFGSWUGNWEK-UHFFFAOYSA-N 0 0 384.439 2.970 20 5 GFBDRN CC1(C)SC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000616005768 565183490 /nfs/dbraw/zinc/18/34/90/565183490.db2.gz URHHIIWJONUKQK-SNVBAGLBSA-N 0 0 381.273 2.530 20 5 GFBDRN O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000590435739 565187851 /nfs/dbraw/zinc/18/78/51/565187851.db2.gz ZSQJKXSYHGBXQK-QPUJVOFHSA-N 0 0 397.147 2.933 20 5 GFBDRN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000591786972 565240013 /nfs/dbraw/zinc/24/00/13/565240013.db2.gz ZTVBRXLNVTXLHT-WRWORJQWSA-N 0 0 375.328 2.760 20 5 GFBDRN O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000591886540 565242460 /nfs/dbraw/zinc/24/24/60/565242460.db2.gz DQLOAJGGSDQQHO-UHFFFAOYSA-N 0 0 385.117 2.552 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc(Br)c1F ZINC000617795472 565260365 /nfs/dbraw/zinc/26/03/65/565260365.db2.gz WLOYWQSHASMRNW-UHFFFAOYSA-N 0 0 398.144 2.930 20 5 GFBDRN C[C@@H](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)n1cc(Br)cn1 ZINC000592584252 565283163 /nfs/dbraw/zinc/28/31/63/565283163.db2.gz BFKZXNCJCVSPHO-NSHDSACASA-N 0 0 381.230 2.864 20 5 GFBDRN COc1ccc(CNC(=O)C[C@H](C)n2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000592584129 565283430 /nfs/dbraw/zinc/28/34/30/565283430.db2.gz OHQPWSWJYNPWTR-JTQLQIEISA-N 0 0 397.229 2.830 20 5 GFBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593380563 565328922 /nfs/dbraw/zinc/32/89/22/565328922.db2.gz YMZDKYGUVDGYMA-QWHCGFSZSA-N 0 0 397.225 2.629 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1NCC[C@]1(O)CCCOC1 ZINC000593520549 565337837 /nfs/dbraw/zinc/33/78/37/565337837.db2.gz ZWXSAGCWWQBKPK-CYBMUJFWSA-N 0 0 392.193 2.543 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000619484848 565343933 /nfs/dbraw/zinc/34/39/33/565343933.db2.gz ISQKRULVYJXRRE-UHFFFAOYSA-N 0 0 385.467 2.890 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cc(F)ccc1SC ZINC000619488208 565345068 /nfs/dbraw/zinc/34/50/68/565345068.db2.gz FDULMTFYRBIZPO-UHFFFAOYSA-N 0 0 386.426 2.943 20 5 GFBDRN C[C@H](CO)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593645431 565351660 /nfs/dbraw/zinc/35/16/60/565351660.db2.gz ISHSUNPELSQJNQ-SECBINFHSA-N 0 0 397.280 2.931 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(F)(F)C1 ZINC000619776736 565358621 /nfs/dbraw/zinc/35/86/21/565358621.db2.gz WLKIFJJXYHRDRG-UHFFFAOYSA-N 0 0 382.104 2.599 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594485575 565394771 /nfs/dbraw/zinc/39/47/71/565394771.db2.gz ABACQBLBGWFDII-ZWNOBZJWSA-N 0 0 382.360 2.682 20 5 GFBDRN COc1cc(CS(=O)(=O)Cc2cncs2)c([N+](=O)[O-])cc1OC(F)F ZINC000594687621 565407149 /nfs/dbraw/zinc/40/71/49/565407149.db2.gz VPZOFADVPUGOJQ-UHFFFAOYSA-N 0 0 394.377 2.776 20 5 GFBDRN C[C@H]1SCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000594752594 565413849 /nfs/dbraw/zinc/41/38/49/565413849.db2.gz DVFJMVYCALRBQN-DOMZBBRYSA-N 0 0 379.463 2.857 20 5 GFBDRN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756252 565415229 /nfs/dbraw/zinc/41/52/29/565415229.db2.gz WBTGFXJBQKESCU-UHFFFAOYSA-N 0 0 385.829 2.733 20 5 GFBDRN O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000594759049 565415799 /nfs/dbraw/zinc/41/57/99/565415799.db2.gz SFRREFRYEMKKMZ-CYBMUJFWSA-N 0 0 379.463 2.793 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000594789402 565422099 /nfs/dbraw/zinc/42/20/99/565422099.db2.gz YBWMKSYTEYYQFD-CABZTGNLSA-N 0 0 375.244 2.920 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594852174 565428999 /nfs/dbraw/zinc/42/89/99/565428999.db2.gz NXQRJZLSIAURAY-NSHDSACASA-N 0 0 399.213 2.989 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)s1 ZINC000594869000 565432409 /nfs/dbraw/zinc/43/24/09/565432409.db2.gz RMTBXJNSKRNTHA-LBPRGKRZSA-N 0 0 390.389 2.697 20 5 GFBDRN Cc1sc(S(=O)(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595397761 565473858 /nfs/dbraw/zinc/47/38/58/565473858.db2.gz XTDOVSYESWMXME-IONNQARKSA-N 0 0 388.389 2.695 20 5 GFBDRN C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000596215666 565515701 /nfs/dbraw/zinc/51/57/01/565515701.db2.gz RKYKBPUYJUJMBX-ZCFIWIBFSA-N 0 0 396.372 2.891 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCOc2cncc(Cl)c2)s1 ZINC000596271898 565517871 /nfs/dbraw/zinc/51/78/71/565517871.db2.gz KRWYBAJDTFHBDY-UHFFFAOYSA-N 0 0 377.831 2.599 20 5 GFBDRN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(CC2(F)F)C1 ZINC000596292076 565518612 /nfs/dbraw/zinc/51/86/12/565518612.db2.gz QEPOSWKTZIBHLV-AWEZNQCLSA-N 0 0 375.397 2.519 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@](O)(C2CC2)C1 ZINC000596461077 565525444 /nfs/dbraw/zinc/52/54/44/565525444.db2.gz CGACVEYNLPSNHS-AWEZNQCLSA-N 0 0 388.205 2.941 20 5 GFBDRN Nc1c(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091731 565551694 /nfs/dbraw/zinc/55/16/94/565551694.db2.gz COJOCKMTCGDMNE-QMMMGPOBSA-N 0 0 381.742 2.589 20 5 GFBDRN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000598431707 565617927 /nfs/dbraw/zinc/61/79/27/565617927.db2.gz HXEHALLYYMDXCK-AOOOYVTPSA-N 0 0 385.214 2.689 20 5 GFBDRN CCOC(=O)C12CC(C1)CN2C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598444355 565618853 /nfs/dbraw/zinc/61/88/53/565618853.db2.gz HMMRGNXNIUFQNQ-UHFFFAOYSA-N 0 0 389.227 2.587 20 5 GFBDRN O=[N+]([O-])c1c(Oc2ccc(Br)c(F)c2)ncnc1N1CCOCC1 ZINC000598597113 565628572 /nfs/dbraw/zinc/62/85/72/565628572.db2.gz VUEPGTZULCLVOI-UHFFFAOYSA-N 0 0 399.176 2.915 20 5 GFBDRN CCc1nn(C)c(N2CC[C@H](Oc3cncc(Br)c3)C2)c1[N+](=O)[O-] ZINC000599108801 565656930 /nfs/dbraw/zinc/65/69/30/565656930.db2.gz VYOQXDXWYDWFOG-NSHDSACASA-N 0 0 396.245 2.706 20 5 GFBDRN Cn1ncc(C(F)(F)F)c1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000599124260 565657936 /nfs/dbraw/zinc/65/79/36/565657936.db2.gz LOUMPMOKXWTIIJ-UHFFFAOYSA-N 0 0 380.124 2.539 20 5 GFBDRN NC(=O)c1ccnc(N2CC(Cc3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000599183961 565660078 /nfs/dbraw/zinc/66/00/78/565660078.db2.gz FUUHXOSPCPVGSK-UHFFFAOYSA-N 0 0 391.225 2.530 20 5 GFBDRN O=C(NC1CCN(CC(F)F)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599225847 565662332 /nfs/dbraw/zinc/66/23/32/565662332.db2.gz PUOICADVGYIYIV-UHFFFAOYSA-N 0 0 392.200 2.817 20 5 GFBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599267285 565666330 /nfs/dbraw/zinc/66/63/30/565666330.db2.gz YREWJDWFZKATEK-JTQLQIEISA-N 0 0 387.487 2.598 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccncc3Br)C2)nc1 ZINC000599325232 565669500 /nfs/dbraw/zinc/66/95/00/565669500.db2.gz AGLZFHIOCVPOBG-LBPRGKRZSA-N 0 0 378.230 2.834 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599376999 565673701 /nfs/dbraw/zinc/67/37/01/565673701.db2.gz FWNRFSLXRHCMBW-DTORHVGOSA-N 0 0 382.360 2.654 20 5 GFBDRN CSC1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000599594205 565691779 /nfs/dbraw/zinc/69/17/79/565691779.db2.gz LVARULNMUWELSS-UHFFFAOYSA-N 0 0 389.271 2.999 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599628776 565693641 /nfs/dbraw/zinc/69/36/41/565693641.db2.gz HNHRPOAARFCSJG-OLZOCXBDSA-N 0 0 389.271 2.509 20 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565713811 /nfs/dbraw/zinc/71/38/11/565713811.db2.gz WDTMVFFKXWQPQF-UHFFFAOYSA-N 0 0 395.213 2.580 20 5 GFBDRN Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ncc1Br ZINC000600109048 565713944 /nfs/dbraw/zinc/71/39/44/565713944.db2.gz GDXOVPNNLFRECE-UHFFFAOYSA-N 0 0 392.257 2.778 20 5 GFBDRN O=C(NC[C@H]1CCCN1CC(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600254004 565719752 /nfs/dbraw/zinc/71/97/52/565719752.db2.gz BLISMQNKTAYXCS-SNVBAGLBSA-N 0 0 392.200 2.817 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600282269 565720878 /nfs/dbraw/zinc/72/08/78/565720878.db2.gz OEHRKXLWRQKFOX-UHFFFAOYSA-N 0 0 377.198 2.632 20 5 GFBDRN COC[C@]1(C)CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCO1 ZINC000600809343 565750106 /nfs/dbraw/zinc/75/01/06/565750106.db2.gz PHKHIBFEQZMBGX-HNNXBMFYSA-N 0 0 387.230 2.543 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000601313720 565775777 /nfs/dbraw/zinc/77/57/77/565775777.db2.gz UYZRTEYPBIORLS-NSHDSACASA-N 0 0 378.397 2.848 20 5 GFBDRN C[C@](CO)(NC(=O)Cc1sccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601777933 565803638 /nfs/dbraw/zinc/80/36/38/565803638.db2.gz NCBJBIXFAAKWNF-OAHLLOKOSA-N 0 0 399.266 2.985 20 5 GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@H](C(F)F)CC1 ZINC000601973687 565811107 /nfs/dbraw/zinc/81/11/07/565811107.db2.gz ITQYPYUKISFZMH-TVQRCGJNSA-N 0 0 377.775 2.931 20 5 GFBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000601975541 565812064 /nfs/dbraw/zinc/81/20/64/565812064.db2.gz XPKQSNFLEMHYON-AOOOYVTPSA-N 0 0 376.356 2.811 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC000602471266 565849984 /nfs/dbraw/zinc/84/99/84/565849984.db2.gz LDQQFGSJMXZBEB-VIFPVBQESA-N 0 0 375.166 2.918 20 5 GFBDRN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602718871 565864999 /nfs/dbraw/zinc/86/49/99/565864999.db2.gz RROBFFPRVLULPX-SECBINFHSA-N 0 0 391.291 2.607 20 5 GFBDRN COCCOc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603404449 565903859 /nfs/dbraw/zinc/90/38/59/565903859.db2.gz ZJEZZUAYAITPNO-UHFFFAOYSA-N 0 0 383.202 2.785 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000609134801 566030790 /nfs/dbraw/zinc/03/07/90/566030790.db2.gz ZJCLSCNGHNCMTI-GFCCVEGCSA-N 0 0 384.845 2.779 20 5 GFBDRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000609517360 566041980 /nfs/dbraw/zinc/04/19/80/566041980.db2.gz GDISCFGGLZANJH-QMMMGPOBSA-N 0 0 384.464 2.575 20 5 GFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000610067768 566063707 /nfs/dbraw/zinc/06/37/07/566063707.db2.gz VVRBZKLCSASWHF-QPUJVOFHSA-N 0 0 382.722 2.805 20 5 GFBDRN CSC[C@H](CCO)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000610132061 566068536 /nfs/dbraw/zinc/06/85/36/566068536.db2.gz VYZQCJNELBKOAI-JTQLQIEISA-N 0 0 386.271 2.853 20 5 GFBDRN CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262663 566072541 /nfs/dbraw/zinc/07/25/41/566072541.db2.gz HIWYRUHZKHAFEF-UHFFFAOYSA-N 0 0 377.300 2.714 20 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566111083 /nfs/dbraw/zinc/11/10/83/566111083.db2.gz QHWJCEJCCJZSRF-UHFFFAOYSA-N 0 0 385.269 2.931 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CO)c2cc(F)ccc2F)c(Cl)c1 ZINC000611019571 566111108 /nfs/dbraw/zinc/11/11/08/566111108.db2.gz NZZVKULLHVWBCG-CYBMUJFWSA-N 0 0 392.767 2.538 20 5 GFBDRN COc1ccc(COCCn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 ZINC000611240104 566123195 /nfs/dbraw/zinc/12/31/95/566123195.db2.gz HVTCXENOZNOPSX-UHFFFAOYSA-N 0 0 383.198 2.744 20 5 GFBDRN O=C(NCCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000611428781 566128622 /nfs/dbraw/zinc/12/86/22/566128622.db2.gz PUAIGQHDWHDRJU-UHFFFAOYSA-N 0 0 379.210 2.822 20 5 GFBDRN CCCC(=O)NC1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000612438441 566162571 /nfs/dbraw/zinc/16/25/71/566162571.db2.gz HFIIMLOGQLRMIJ-UHFFFAOYSA-N 0 0 385.262 2.946 20 5 GFBDRN CCOC(=O)COCCOc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000612661116 566169246 /nfs/dbraw/zinc/16/92/46/566169246.db2.gz KOKQNHWRCUNCKM-UHFFFAOYSA-N 0 0 399.197 2.864 20 5 GFBDRN CCC(=O)N[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000612956120 566180345 /nfs/dbraw/zinc/18/03/45/566180345.db2.gz ZOCJLBNFVFEYCS-MRVPVSSYSA-N 0 0 383.202 2.918 20 5 GFBDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736813388 598831215 /nfs/dbraw/zinc/83/12/15/598831215.db2.gz JZLBNWXQLCRSPO-UHFFFAOYSA-N 0 0 380.408 2.711 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737059489 598832134 /nfs/dbraw/zinc/83/21/34/598832134.db2.gz VCVZJSOWZHVFMS-UHFFFAOYSA-N 0 0 382.380 2.700 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000737618309 598854749 /nfs/dbraw/zinc/85/47/49/598854749.db2.gz FLBFFNOIOAQGND-UHFFFAOYSA-N 0 0 382.409 2.849 20 5 GFBDRN O=C(c1cccc(-c2nn[nH]n2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000738268718 599117648 /nfs/dbraw/zinc/11/76/48/599117648.db2.gz NMBQMMYYPSHZCB-QGZVFWFLSA-N 0 0 382.405 2.663 20 5 GFBDRN C[C@@H](OC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820508668 607263653 /nfs/dbraw/zinc/26/36/53/607263653.db2.gz UWMSRTSWOVQJDE-MRVPVSSYSA-N 0 0 375.291 2.971 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000736487931 599278981 /nfs/dbraw/zinc/27/89/81/599278981.db2.gz KKDRMXXFFBLGQN-UHFFFAOYSA-N 0 0 397.395 2.614 20 5 GFBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735627707 598468556 /nfs/dbraw/zinc/46/85/56/598468556.db2.gz OOQPYAHCZOHPHX-LBPRGKRZSA-N 0 0 389.416 2.586 20 5 GFBDRN COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000737082921 598495377 /nfs/dbraw/zinc/49/53/77/598495377.db2.gz MNEMLLNCMCBEEO-UHFFFAOYSA-N 0 0 388.771 2.618 20 5 GFBDRN CCc1c(C)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 ZINC000736675815 598518540 /nfs/dbraw/zinc/51/85/40/598518540.db2.gz OTMZVCJXQYWPFO-UHFFFAOYSA-N 0 0 388.409 2.725 20 5 GFBDRN CN(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736843983 598627988 /nfs/dbraw/zinc/62/79/88/598627988.db2.gz RMYZQVSJCBSPRF-UHFFFAOYSA-N 0 0 379.424 2.880 20 5 GFBDRN CCCN(C[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736470529 598814139 /nfs/dbraw/zinc/81/41/39/598814139.db2.gz KGWXHXGMJPFNEA-AWEZNQCLSA-N 0 0 396.407 2.831 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1Sc1nccn1Cc1ccccn1 ZINC000738359766 598817425 /nfs/dbraw/zinc/81/74/25/598817425.db2.gz NLVUVTLEQPEAAB-UHFFFAOYSA-N 0 0 380.393 2.566 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[nH]n2)c1 ZINC000738370269 599306630 /nfs/dbraw/zinc/30/66/30/599306630.db2.gz TUHRPVPXSAKADZ-LBPRGKRZSA-N 0 0 396.194 2.622 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)cc(C)c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000822129798 599386978 /nfs/dbraw/zinc/38/69/78/599386978.db2.gz OQXVHMNXNVYXGR-UHFFFAOYSA-N 0 0 383.364 2.837 20 5 GFBDRN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000822204030 599490938 /nfs/dbraw/zinc/49/09/38/599490938.db2.gz ARTNPSCHPVFNLD-UHFFFAOYSA-N 0 0 393.382 2.847 20 5 GFBDRN 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20 5 GFBDRN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000855784386 662007866 /nfs/dbraw/zinc/00/78/66/662007866.db2.gz GJOGVDKETBCPCE-YPMHNXCESA-N 0 0 391.168 2.901 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000856132874 662020769 /nfs/dbraw/zinc/02/07/69/662020769.db2.gz IQULSIVCDODVKG-ZDUSSCGKSA-N 0 0 387.223 2.646 20 5 GFBDRN O=[N+]([O-])c1c(Br)cccc1NCCC1CCS(=O)(=O)CC1 ZINC000856738549 662040041 /nfs/dbraw/zinc/04/00/41/662040041.db2.gz ONVWHYGRFZSZCG-UHFFFAOYSA-N 0 0 377.260 2.984 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000857600510 662082850 /nfs/dbraw/zinc/08/28/50/662082850.db2.gz RBZWDDIHSSUGIE-GMXVVIOVSA-N 0 0 396.241 2.991 20 5 GFBDRN COc1cc(C(=O)N2CCc3nccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000857967254 662096628 /nfs/dbraw/zinc/09/66/28/662096628.db2.gz YGLCOYBGWHEHQN-UHFFFAOYSA-N 0 0 392.209 2.959 20 5 GFBDRN CC1(C)C[C@@H](S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)CO1 ZINC000858999812 662131400 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NJGATGWNLHYTNC-MRDLRKQPSA-N 0 0 385.873 2.561 20 5 GFBDRN O=C(NC[C@@H]1CSCCS1)c1c(Br)cccc1[N+](=O)[O-] ZINC000859957852 662180264 /nfs/dbraw/zinc/18/02/64/662180264.db2.gz UUNHAPIHCNSEIB-MRVPVSSYSA-N 0 0 377.285 2.936 20 5 GFBDRN C[C@H](OC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC000859999054 662181553 /nfs/dbraw/zinc/18/15/53/662181553.db2.gz HKXFVXWDSUHFBM-VIFPVBQESA-N 0 0 386.198 2.898 20 5 GFBDRN COC[C@@H]1CCCN1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000861052611 662225521 /nfs/dbraw/zinc/22/55/21/662225521.db2.gz UIVGXWUJUSKDBE-NSHDSACASA-N 0 0 387.234 2.813 20 5 GFBDRN CN(CC(=O)Oc1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000861179424 662232695 /nfs/dbraw/zinc/23/26/95/662232695.db2.gz ANHDAPMOYKUSRJ-JTQLQIEISA-N 0 0 375.244 2.700 20 5 GFBDRN O=C(Oc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000861181067 662232824 /nfs/dbraw/zinc/23/28/24/662232824.db2.gz XPTJLKJCLCPOSI-LLVKDONJSA-N 0 0 397.225 2.911 20 5 GFBDRN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)no1 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O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000450789795 564248445 /nfs/dbraw/zinc/24/84/45/564248445.db2.gz GOPKYYXVAQRQAV-RISCZKNCSA-N 0 0 379.214 2.901 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1OC(F)F ZINC000450814849 564249518 /nfs/dbraw/zinc/24/95/18/564249518.db2.gz WMDIIJBGBLZRDU-OAHLLOKOSA-N 0 0 376.381 2.601 20 5 GFBDRN O=[N+]([O-])c1cnc(NC[C@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000450839444 564250257 /nfs/dbraw/zinc/25/02/57/564250257.db2.gz CFBMPTYHLMQZBJ-MRVPVSSYSA-N 0 0 390.234 2.638 20 5 GFBDRN COc1cc(NCc2nn(C)cc2I)ccc1[N+](=O)[O-] ZINC000450844593 564251202 /nfs/dbraw/zinc/25/12/02/564251202.db2.gz LKPMBOYLEWBAQZ-UHFFFAOYSA-N 0 0 388.165 2.554 20 5 GFBDRN O=[N+]([O-])c1cnccc1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000450844891 564251472 /nfs/dbraw/zinc/25/14/72/564251472.db2.gz MGGIPJAGLVGLIM-JTQLQIEISA-N 0 0 384.205 2.576 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000450865002 564252378 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CC(=O)N[C@H](C)C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000475742268 564317056 /nfs/dbraw/zinc/31/70/56/564317056.db2.gz NPSTWNBXDLLTGU-SNVBAGLBSA-N 0 0 385.262 2.802 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475758092 564318516 /nfs/dbraw/zinc/31/85/16/564318516.db2.gz NUDMZZJERCGCHV-UHFFFAOYSA-N 0 0 381.179 2.923 20 5 GFBDRN O=C(Nc1cccc2c1CNC2=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000566370487 564325467 /nfs/dbraw/zinc/32/54/67/564325467.db2.gz MMYMHPMXONERBY-UHFFFAOYSA-N 0 0 376.166 2.853 20 5 GFBDRN O=C(N[C@@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])cn1 ZINC000542907805 564331697 /nfs/dbraw/zinc/33/16/97/564331697.db2.gz JVNUNLVGFWLTEX-ZDUSSCGKSA-N 0 0 380.198 2.606 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CSc2ccccc21 ZINC000451616037 564332007 /nfs/dbraw/zinc/33/20/07/564332007.db2.gz YHEPPXNEDXBOOR-LLVKDONJSA-N 0 0 380.447 2.771 20 5 GFBDRN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451647049 564334898 /nfs/dbraw/zinc/33/48/98/564334898.db2.gz HROIFFIMQBLOFA-NSHDSACASA-N 0 0 384.376 2.847 20 5 GFBDRN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451646673 564334910 /nfs/dbraw/zinc/33/49/10/564334910.db2.gz JREGXRBKCADHLH-MRVPVSSYSA-N 0 0 376.378 2.601 20 5 GFBDRN O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000543143732 564339135 /nfs/dbraw/zinc/33/91/35/564339135.db2.gz SDLHRRYDXGQIHB-NSHDSACASA-N 0 0 377.388 2.687 20 5 GFBDRN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000476495429 564341624 /nfs/dbraw/zinc/34/16/24/564341624.db2.gz PFOCXQVALILIGS-NSHDSACASA-N 0 0 383.191 2.765 20 5 GFBDRN O=[N+]([O-])c1cncc(Br)c1NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000566947467 564351031 /nfs/dbraw/zinc/35/10/31/564351031.db2.gz QYPWEHFXPQGEJJ-WBMJQRKESA-N 0 0 378.226 2.752 20 5 GFBDRN CCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)OC ZINC000543507589 564353286 /nfs/dbraw/zinc/35/32/86/564353286.db2.gz HNJMAJSDPVFIPV-UHFFFAOYSA-N 0 0 376.381 2.977 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000476894503 564357551 /nfs/dbraw/zinc/35/75/51/564357551.db2.gz GIOBNXQPDGKQFV-NSHDSACASA-N 0 0 382.419 2.911 20 5 GFBDRN CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000451842599 564357822 /nfs/dbraw/zinc/35/78/22/564357822.db2.gz URSIMHVVXPVFSU-JOYOIKCWSA-N 0 0 382.360 2.659 20 5 GFBDRN CCOc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000543775188 564362859 /nfs/dbraw/zinc/36/28/59/564362859.db2.gz IOBFGONVMVIGFU-UHFFFAOYSA-N 0 0 385.829 2.563 20 5 GFBDRN CCOCCN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544223468 564379400 /nfs/dbraw/zinc/37/94/00/564379400.db2.gz JLBMEWTVBMZLNS-UHFFFAOYSA-N 0 0 387.889 2.521 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ncc(Cl)cc1Cl ZINC000477526652 564380440 /nfs/dbraw/zinc/38/04/40/564380440.db2.gz OUEIQLTVFXOUAB-UHFFFAOYSA-N 0 0 377.571 2.750 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)NCCCSc1ccccc1 ZINC000477532414 564380456 /nfs/dbraw/zinc/38/04/56/564380456.db2.gz SXEGEWYPSNOLJW-UHFFFAOYSA-N 0 0 381.841 2.709 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(CCO)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452008369 564381315 /nfs/dbraw/zinc/38/13/15/564381315.db2.gz OTHAIPUGMFRVGB-JQWIXIFHSA-N 0 0 376.862 2.728 20 5 GFBDRN Cc1n[nH]c([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(C)c3Br)C2)n1 ZINC000544394019 564384702 /nfs/dbraw/zinc/38/47/02/564384702.db2.gz DHGUCRXBBONURR-SNVBAGLBSA-N 0 0 381.234 2.871 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(F)ccc(Br)c3C2)n1 ZINC000452202275 564399160 /nfs/dbraw/zinc/39/91/60/564399160.db2.gz ZHDMLZVZLIPQRF-UHFFFAOYSA-N 0 0 397.204 2.911 20 5 GFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000478390719 564400969 /nfs/dbraw/zinc/40/09/69/564400969.db2.gz JTKSHNZYXHHDIW-UHFFFAOYSA-N 0 0 378.431 2.655 20 5 GFBDRN CSc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1[N+](=O)[O-] ZINC000478404404 564401779 /nfs/dbraw/zinc/40/17/79/564401779.db2.gz MUQQHMOTIMTELQ-UHFFFAOYSA-N 0 0 378.431 2.899 20 5 GFBDRN COc1cc(Br)ccc1-c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000545070485 564407833 /nfs/dbraw/zinc/40/78/33/564407833.db2.gz OZGPWMVGCYODAD-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000452624491 564424006 /nfs/dbraw/zinc/42/40/06/564424006.db2.gz BGUIRSUBVGIVBX-UHFFFAOYSA-N 0 0 385.214 2.771 20 5 GFBDRN COC[C@](C)(NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000479138411 564426776 /nfs/dbraw/zinc/42/67/76/564426776.db2.gz PURNJCLXYXPBGR-NSHDSACASA-N 0 0 390.767 2.802 20 5 GFBDRN C[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479223011 564431836 /nfs/dbraw/zinc/43/18/36/564431836.db2.gz IKTIAXFVOLWLMC-SECBINFHSA-N 0 0 378.834 2.647 20 5 GFBDRN CSc1cccc(N(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000513562007 564431977 /nfs/dbraw/zinc/43/19/77/564431977.db2.gz CVHJVJNNAXRVHW-UHFFFAOYSA-N 0 0 380.447 2.997 20 5 GFBDRN O=C(CN1CCO[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000514209709 564447603 /nfs/dbraw/zinc/44/76/03/564447603.db2.gz XEZXBBCKHFYXJY-UONOGXRCSA-N 0 0 384.230 2.549 20 5 GFBDRN Cc1nn(C)cc1Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000453138407 564448170 /nfs/dbraw/zinc/44/81/70/564448170.db2.gz JKJIAVUGRKWWBG-UHFFFAOYSA-N 0 0 392.213 2.964 20 5 GFBDRN CCn1nc(C)c(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000480038935 564458900 /nfs/dbraw/zinc/45/89/00/564458900.db2.gz BOJLVDZEQXQTBD-UHFFFAOYSA-N 0 0 386.861 2.602 20 5 GFBDRN Cc1ccncc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000546626764 564462920 /nfs/dbraw/zinc/46/29/20/564462920.db2.gz RCLXZWBOQMSGPX-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1Oc1ncnc2n[nH]cc21 ZINC000480304388 564467632 /nfs/dbraw/zinc/46/76/32/564467632.db2.gz AQZFCUZFBYVBGM-UHFFFAOYSA-N 0 0 383.105 2.658 20 5 GFBDRN Cc1cc(Br)cn2cc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)nc12 ZINC000546824203 564469811 /nfs/dbraw/zinc/46/98/11/564469811.db2.gz WCJILNKTSOARJT-UHFFFAOYSA-N 0 0 378.186 2.572 20 5 GFBDRN NS(=O)(=O)c1cc(NCCSCc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000515582353 564482805 /nfs/dbraw/zinc/48/28/05/564482805.db2.gz BFYVEWUHEHOVKP-UHFFFAOYSA-N 0 0 385.442 2.727 20 5 GFBDRN CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@]2(CCOC2)O1 ZINC000480771557 564487356 /nfs/dbraw/zinc/48/73/56/564487356.db2.gz CDXNVMQKNVWQAT-IAQYHMDHSA-N 0 0 386.246 2.835 20 5 GFBDRN C[C@@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCO1 ZINC000516516822 564504130 /nfs/dbraw/zinc/50/41/30/564504130.db2.gz YWHRDRROMBSMFN-ZDUSSCGKSA-N 0 0 376.194 2.858 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2Br)c1C ZINC000481918531 564528217 /nfs/dbraw/zinc/52/82/17/564528217.db2.gz GIBRKZJJHSQMEI-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548091149 564531304 /nfs/dbraw/zinc/53/13/04/564531304.db2.gz XQZGQFVURQLFGX-UHFFFAOYSA-N 0 0 391.185 2.578 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000518365320 564551493 /nfs/dbraw/zinc/55/14/93/564551493.db2.gz IERKWQNWEVDRSV-NSHDSACASA-N 0 0 393.241 2.705 20 5 GFBDRN CCc1ccc(S(=O)(=O)N[C@@H](CC)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000518970990 564566764 /nfs/dbraw/zinc/56/67/64/564566764.db2.gz TVJCAPSFZPPVDT-NSHDSACASA-N 0 0 384.376 2.793 20 5 GFBDRN CN(C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976629 564583128 /nfs/dbraw/zinc/58/31/28/564583128.db2.gz DCOFCHIMAITHPY-CQSZACIVSA-N 0 0 383.857 2.829 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)Nc2nc(C3CCC3)cs2)c([N+](=O)[O-])c1 ZINC000456049279 564586284 /nfs/dbraw/zinc/58/62/84/564586284.db2.gz WDEJCFIPNIAMJK-UHFFFAOYSA-N 0 0 381.435 2.975 20 5 GFBDRN C[C@H](O)C[C@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412034 564593135 /nfs/dbraw/zinc/59/31/35/564593135.db2.gz PGRIIRDRHJDLGL-GXFFZTMASA-N 0 0 390.221 2.935 20 5 GFBDRN CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H](C)O ZINC000456214772 564595577 /nfs/dbraw/zinc/59/55/77/564595577.db2.gz KOQZVSAQJSFGKC-QPUJVOFHSA-N 0 0 387.223 2.977 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1[N+](=O)[O-] ZINC000456282332 564598901 /nfs/dbraw/zinc/59/89/01/564598901.db2.gz XBDREGVRNZDMQX-JTQLQIEISA-N 0 0 383.177 2.945 20 5 GFBDRN C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000549746059 564604151 /nfs/dbraw/zinc/60/41/51/564604151.db2.gz SGHFPRPPHMWMNQ-CKYFFXLPSA-N 0 0 379.240 2.751 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1Cn1nnc(-c2ccc(Br)o2)n1 ZINC000485369687 564612777 /nfs/dbraw/zinc/61/27/77/564612777.db2.gz ACYMZYZYRRRAHM-UHFFFAOYSA-N 0 0 380.158 2.661 20 5 GFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O ZINC000521038458 564617838 /nfs/dbraw/zinc/61/78/38/564617838.db2.gz NUSGDLJTHNJHSB-UHFFFAOYSA-N 0 0 381.182 2.872 20 5 GFBDRN Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1Br ZINC000521674602 564633989 /nfs/dbraw/zinc/63/39/89/564633989.db2.gz KTVWWLJBZXJWQU-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN COc1ccc(NC(=O)Cc2cc[nH]c(=O)c2Br)cc1[N+](=O)[O-] ZINC000486113467 564639274 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O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc(-n2cnnn2)c1 ZINC000551666827 564659457 /nfs/dbraw/zinc/65/94/57/564659457.db2.gz VARXJZLSQIKNRL-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487132533 564676961 /nfs/dbraw/zinc/67/69/61/564676961.db2.gz IIGOPISPOQHALD-ABAIWWIYSA-N 0 0 376.862 2.978 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000524415779 564681903 /nfs/dbraw/zinc/68/19/03/564681903.db2.gz RGFYKLFOXXQWQZ-UHFFFAOYSA-N 0 0 391.185 2.733 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000574665140 564683794 /nfs/dbraw/zinc/68/37/94/564683794.db2.gz QPQTXRYUASMLMZ-WFASDCNBSA-N 0 0 386.857 2.746 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000524867855 564688587 /nfs/dbraw/zinc/68/85/87/564688587.db2.gz XCNIVELSDUOIOW-ZOWXZIJZSA-N 0 0 386.495 2.547 20 5 GFBDRN CN(Cc1csc(Br)c1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525186388 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O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000469937272 565032625 /nfs/dbraw/zinc/03/26/25/565032625.db2.gz WTDNOZRSTBATBU-TVQRCGJNSA-N 0 0 395.188 2.991 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000504297253 565037233 /nfs/dbraw/zinc/03/72/33/565037233.db2.gz XYSPILHBNDAXKK-GFCCVEGCSA-N 0 0 393.197 2.588 20 5 GFBDRN COC(=O)[C@H](CC(F)F)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000536473275 565038553 /nfs/dbraw/zinc/03/85/53/565038553.db2.gz ZRCSBHAXVOVAHG-VIFPVBQESA-N 0 0 395.156 2.592 20 5 GFBDRN Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505131862 565049336 /nfs/dbraw/zinc/04/93/36/565049336.db2.gz UQGRHQVSRYYUMK-UHFFFAOYSA-N 0 0 378.182 2.969 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000585760031 565109352 /nfs/dbraw/zinc/10/93/52/565109352.db2.gz JFGYPLLEHGRRQJ-TVQRCGJNSA-N 0 0 382.214 2.697 20 5 GFBDRN Cc1cc(N2C[C@@H](N3CCOCC3)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000588070172 565125173 /nfs/dbraw/zinc/12/51/73/565125173.db2.gz IQBOYJVAHPPOQF-OLZOCXBDSA-N 0 0 384.274 2.965 20 5 GFBDRN CN(C(=O)c1cnc2ncc(Br)cc2c1)c1ccc([N+](=O)[O-])nc1 ZINC000588984651 565147041 /nfs/dbraw/zinc/14/70/41/565147041.db2.gz IJHMYYKWJFQUNR-UHFFFAOYSA-N 0 0 388.181 2.972 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCC[C@@H]2CO)c1 ZINC000589252198 565157672 /nfs/dbraw/zinc/15/76/72/565157672.db2.gz ILWMXCBAXMATCF-GFCCVEGCSA-N 0 0 376.194 2.546 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H](CCO)C2)c1 ZINC000589253179 565157728 /nfs/dbraw/zinc/15/77/28/565157728.db2.gz JGSLHBICIUPQTH-NSHDSACASA-N 0 0 390.221 2.794 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nccc2cc(Br)ccc21 ZINC000589830287 565171652 /nfs/dbraw/zinc/17/16/52/565171652.db2.gz FFMJVZWPEOUSFW-UHFFFAOYSA-N 0 0 390.197 2.553 20 5 GFBDRN COC(=O)CCSCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590251583 565181679 /nfs/dbraw/zinc/18/16/79/565181679.db2.gz QBYIDYCDMKHNNZ-UHFFFAOYSA-N 0 0 380.344 2.640 20 5 GFBDRN O=c1cc2ccc(Br)cn2n1CCOc1cccc([N+](=O)[O-])c1 ZINC000590584118 565193182 /nfs/dbraw/zinc/19/31/82/565193182.db2.gz IXZBLWAHRQZXNF-UHFFFAOYSA-N 0 0 378.182 2.851 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C2CCC2)C1 ZINC000591048743 565214337 /nfs/dbraw/zinc/21/43/37/565214337.db2.gz HGXPYTKAHGSJFE-NSHDSACASA-N 0 0 396.241 2.944 20 5 GFBDRN Cc1nc([C@@H]2COCCN2Cc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000591845648 565241004 /nfs/dbraw/zinc/24/10/04/565241004.db2.gz YDCKMULRMZCLRO-ZDUSSCGKSA-N 0 0 383.202 2.622 20 5 GFBDRN C[C@H]1SCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000593548366 565340367 /nfs/dbraw/zinc/34/03/67/565340367.db2.gz XPNFIUWUCGULCW-MLGOLLRUSA-N 0 0 379.463 2.857 20 5 GFBDRN CC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619457770 565342172 /nfs/dbraw/zinc/34/21/72/565342172.db2.gz HWOSNMMSFJXQFL-LRDDRELGSA-N 0 0 399.241 2.767 20 5 GFBDRN CN(Cc1cn(-c2cccc(Br)c2)nn1)c1ccncc1[N+](=O)[O-] ZINC000619505742 565345696 /nfs/dbraw/zinc/34/56/96/565345696.db2.gz XVPANYMMIBXJAZ-UHFFFAOYSA-N 0 0 389.213 2.969 20 5 GFBDRN CCN([C@H]1CCCOC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593636018 565350326 /nfs/dbraw/zinc/35/03/26/565350326.db2.gz JACMUZDBDDIZOR-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000594381545 565383387 /nfs/dbraw/zinc/38/33/87/565383387.db2.gz MGXCWGRREDYBTH-LLVKDONJSA-N 0 0 384.738 2.568 20 5 GFBDRN CCOC(=O)CCN(C(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594481407 565393352 /nfs/dbraw/zinc/39/33/52/565393352.db2.gz ALVPHSVOGARLQZ-UHFFFAOYSA-N 0 0 378.834 2.601 20 5 GFBDRN C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594476408 565393402 /nfs/dbraw/zinc/39/34/02/565393402.db2.gz AKLBHJYDFUOWIQ-VIFPVBQESA-N 0 0 378.834 2.504 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000594787879 565420036 /nfs/dbraw/zinc/42/00/36/565420036.db2.gz FIIIVMUJFXAYSG-ONGXEEELSA-N 0 0 375.244 2.920 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000594804259 565423251 /nfs/dbraw/zinc/42/32/51/565423251.db2.gz PUMPTUPTTSVGGW-WCABBAIRSA-N 0 0 395.264 2.683 20 5 GFBDRN C[C@]1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1(F)F ZINC000594851258 565429618 /nfs/dbraw/zinc/42/96/18/565429618.db2.gz ILJLSPSPGJUVEJ-SNVBAGLBSA-N 0 0 385.186 2.681 20 5 GFBDRN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594870144 565432866 /nfs/dbraw/zinc/43/28/66/565432866.db2.gz JIXIYDNLEQCYAY-RDDDGLTNSA-N 0 0 388.751 2.589 20 5 GFBDRN Cn1ncc(C2CCC2)c1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594870963 565433605 /nfs/dbraw/zinc/43/36/05/565433605.db2.gz SHBSCDOWFCMMCE-UHFFFAOYSA-N 0 0 384.845 2.728 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000595367207 565469626 /nfs/dbraw/zinc/46/96/26/565469626.db2.gz JTMUMEPOYQJVEV-DTWKUNHWSA-N 0 0 381.237 2.559 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c1C ZINC000595395164 565472840 /nfs/dbraw/zinc/47/28/40/565472840.db2.gz KHAOEOXDJOUMLO-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751189 565490321 /nfs/dbraw/zinc/49/03/21/565490321.db2.gz WKQDEFWDXGVCMH-AWEZNQCLSA-N 0 0 386.235 2.729 20 5 GFBDRN O=[N+]([O-])c1cc(NCCS(=O)(=O)NCC2CCC2)ccc1C(F)(F)F ZINC000596120132 565514675 /nfs/dbraw/zinc/51/46/75/565514675.db2.gz GALDDYKPPWKZOX-UHFFFAOYSA-N 0 0 381.376 2.745 20 5 GFBDRN COC(=O)c1c(Cl)c(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000596258245 565518160 /nfs/dbraw/zinc/51/81/60/565518160.db2.gz GZFTZLIVIAYSKG-JVXZTZIISA-N 0 0 382.722 2.784 20 5 GFBDRN Cc1noc(CSCc2ccc(S(=O)(=O)N3CCCC3)o2)c1[N+](=O)[O-] ZINC000596340393 565519905 /nfs/dbraw/zinc/51/99/05/565519905.db2.gz SDZATCUWOGGJKS-UHFFFAOYSA-N 0 0 387.439 2.702 20 5 GFBDRN COCc1csc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000596991938 565544431 /nfs/dbraw/zinc/54/44/31/565544431.db2.gz OVRTYTOFWZMOFP-UHFFFAOYSA-N 0 0 381.479 2.822 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000597584061 565565167 /nfs/dbraw/zinc/56/51/67/565565167.db2.gz XDKWDJQXAHTROJ-QWHCGFSZSA-N 0 0 386.221 2.616 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000598454149 565618763 /nfs/dbraw/zinc/61/87/63/565618763.db2.gz VNYVKDFFGHOMPM-CYBMUJFWSA-N 0 0 394.229 2.533 20 5 GFBDRN CN(CC1=CCSC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000598515968 565621949 /nfs/dbraw/zinc/62/19/49/565621949.db2.gz OXGJTRPJOVKRHJ-UHFFFAOYSA-N 0 0 377.451 2.609 20 5 GFBDRN COC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)s1 ZINC000598555917 565626549 /nfs/dbraw/zinc/62/65/49/565626549.db2.gz IZHDMTNZWWHUIN-VIFPVBQESA-N 0 0 381.435 2.919 20 5 GFBDRN O=[N+]([O-])c1c(Sc2nc3ccccc3s2)ncnc1N1CCOCC1 ZINC000598584933 565629013 /nfs/dbraw/zinc/62/90/13/565629013.db2.gz IUCRMUHAWQXVPZ-UHFFFAOYSA-N 0 0 375.435 2.982 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598604390 565629313 /nfs/dbraw/zinc/62/93/13/565629313.db2.gz MPNFOPUYCGXHRA-JOYOIKCWSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598621635 565629727 /nfs/dbraw/zinc/62/97/27/565629727.db2.gz JKHGDUHUNHJGGT-ZETCQYMHSA-N 0 0 385.186 2.681 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598618103 565630686 /nfs/dbraw/zinc/63/06/86/565630686.db2.gz LJAIMRJQAVRPNG-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598753441 565640599 /nfs/dbraw/zinc/64/05/99/565640599.db2.gz IPDZUINCSKZBHR-CFUNISHFSA-N 0 0 376.381 2.616 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1SC ZINC000598771838 565641461 /nfs/dbraw/zinc/64/14/61/565641461.db2.gz NENCOHCIEFJXQJ-JJPWZELDSA-N 0 0 386.495 2.745 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1SC ZINC000598771837 565641529 /nfs/dbraw/zinc/64/15/29/565641529.db2.gz NENCOHCIEFJXQJ-GILQPQBKSA-N 0 0 386.495 2.745 20 5 GFBDRN CC(C)(C)C(=O)N1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599036514 565653851 /nfs/dbraw/zinc/65/38/51/565653851.db2.gz TYDPRPXSOKRUDX-UHFFFAOYSA-N 0 0 398.257 2.688 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cncc(Br)c3)C2)c(F)c1 ZINC000599106810 565656937 /nfs/dbraw/zinc/65/69/37/565656937.db2.gz JMRZICOSOPHBAU-LLVKDONJSA-N 0 0 383.177 2.944 20 5 GFBDRN COc1cc(Br)ccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000599145072 565658702 /nfs/dbraw/zinc/65/87/02/565658702.db2.gz OEMIYKABLBQEHT-LLVKDONJSA-N 0 0 394.229 2.910 20 5 GFBDRN O=C(NCc1cnc2n1CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599917632 565705887 /nfs/dbraw/zinc/70/58/87/565705887.db2.gz DOAHMLJUASJXRN-UHFFFAOYSA-N 0 0 379.214 2.820 20 5 GFBDRN Nc1nccc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000600281788 565720511 /nfs/dbraw/zinc/72/05/11/565720511.db2.gz JMDWJYSJCOXYRU-UHFFFAOYSA-N 0 0 389.209 2.857 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600281177 565720627 /nfs/dbraw/zinc/72/06/27/565720627.db2.gz ANZHGDGXGQZQQS-UHFFFAOYSA-N 0 0 391.225 2.941 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600485036 565732721 /nfs/dbraw/zinc/73/27/21/565732721.db2.gz UOUUMDOZCXOSIC-MRDLRKQPSA-N 0 0 386.857 2.528 20 5 GFBDRN Cc1nn(C)c(C(=O)N2CC(Cc3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000600757002 565748310 /nfs/dbraw/zinc/74/83/10/565748310.db2.gz IOMDLCBAPWGSKA-UHFFFAOYSA-N 0 0 393.241 2.714 20 5 GFBDRN CO[C@@H]1CCC[C@H]1S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000601405342 565781571 /nfs/dbraw/zinc/78/15/71/565781571.db2.gz URDYMQWWEGMOKA-CHWSQXEVSA-N 0 0 382.360 2.601 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CCSCC2)CC1 ZINC000601497420 565787407 /nfs/dbraw/zinc/78/74/07/565787407.db2.gz VQAPETSVCXAMHN-UHFFFAOYSA-N 0 0 386.495 2.901 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CC[C@H]1C(F)F ZINC000601603659 565794733 /nfs/dbraw/zinc/79/47/33/565794733.db2.gz LBMKYPJSLVNDQA-VIFPVBQESA-N 0 0 382.104 2.679 20 5 GFBDRN C[C@](CO)(NC(=O)Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601774766 565802362 /nfs/dbraw/zinc/80/23/62/565802362.db2.gz DMPUVHUVUNCZRM-OAHLLOKOSA-N 0 0 399.266 2.985 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601835231 565805677 /nfs/dbraw/zinc/80/56/77/565805677.db2.gz GVUYYCNEVVQKTK-GBIKHYSHSA-N 0 0 378.372 2.705 20 5 GFBDRN CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602636627 565859082 /nfs/dbraw/zinc/85/90/82/565859082.db2.gz JQPMLNXGPNYJLB-JTQLQIEISA-N 0 0 397.316 2.818 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000603631649 565913019 /nfs/dbraw/zinc/91/30/19/565913019.db2.gz NMRWQYXIVAHTME-LSDHHAIUSA-N 0 0 386.495 2.578 20 5 GFBDRN CCN(CC)C(=O)CN(C)c1ccc(I)cc1[N+](=O)[O-] ZINC000603839113 565917042 /nfs/dbraw/zinc/91/70/42/565917042.db2.gz SDFUFKMBRLCVOT-UHFFFAOYSA-N 0 0 391.209 2.504 20 5 GFBDRN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000603901695 565918917 /nfs/dbraw/zinc/91/89/17/565918917.db2.gz GFNCIGMHOBHFSZ-SECBINFHSA-N 0 0 380.198 2.819 20 5 GFBDRN COCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000603966884 565920441 /nfs/dbraw/zinc/92/04/41/565920441.db2.gz JYLXQRIELPTPMY-UHFFFAOYSA-N 0 0 383.813 2.938 20 5 GFBDRN COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2OC)cc1[N+](=O)[O-] ZINC000604043449 565923015 /nfs/dbraw/zinc/92/30/15/565923015.db2.gz JFOQNXQCKPRIBY-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN COC(=O)Cc1csc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000604438241 565929788 /nfs/dbraw/zinc/92/97/88/565929788.db2.gz MMTVKSOOPOLPKZ-VIFPVBQESA-N 0 0 381.435 2.886 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000608810021 566024469 /nfs/dbraw/zinc/02/44/69/566024469.db2.gz VHAXWWOYORJBEM-STQMWFEESA-N 0 0 379.214 2.535 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000608809420 566024560 /nfs/dbraw/zinc/02/45/60/566024560.db2.gz HQZWJYYZRWBKGO-KGLIPLIRSA-N 0 0 393.241 2.925 20 5 GFBDRN Cc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000609134241 566031045 /nfs/dbraw/zinc/03/10/45/566031045.db2.gz OXFNUAVGFWOFHG-UHFFFAOYSA-N 0 0 389.227 2.780 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1OCCc2ccccc21 ZINC000609598152 566046369 /nfs/dbraw/zinc/04/63/69/566046369.db2.gz GODFCDUMYFSDQV-OAHLLOKOSA-N 0 0 382.825 2.841 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2C(F)(F)F)cc1SC ZINC000610048020 566062963 /nfs/dbraw/zinc/06/29/63/566062963.db2.gz SFXDYWQVKKHEIY-LBPRGKRZSA-N 0 0 380.344 2.729 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610591681 566090479 /nfs/dbraw/zinc/09/04/79/566090479.db2.gz KRJPAOVGRTUNTL-UHFFFAOYSA-N 0 0 378.303 2.938 20 5 GFBDRN CCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000610668513 566092272 /nfs/dbraw/zinc/09/22/72/566092272.db2.gz VMYYRHBVKIDCRC-UHFFFAOYSA-N 0 0 380.198 2.754 20 5 GFBDRN 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SQWKQEGOHHZMNG-INIZCTEOSA-N 0 0 387.392 2.761 20 5 GFBDRN CCOc1ccc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821418179 607411871 /nfs/dbraw/zinc/41/18/71/607411871.db2.gz XGEXGCVDNISRNF-UHFFFAOYSA-N 0 0 399.363 2.539 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000821745139 607418671 /nfs/dbraw/zinc/41/86/71/607418671.db2.gz GPAWSUYWXYCJSG-UHFFFAOYSA-N 0 0 389.755 2.794 20 5 GFBDRN C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737441367 600215947 /nfs/dbraw/zinc/21/59/47/600215947.db2.gz TWXSQDMTQHYUKR-KRWDZBQOSA-N 0 0 385.376 2.651 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nn[nH]n1 ZINC000826498863 607452677 /nfs/dbraw/zinc/45/26/77/607452677.db2.gz MMJFNAMYXPVBBS-OAHLLOKOSA-N 0 0 394.391 2.888 20 5 GFBDRN C[C@@H](NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000824499860 607453201 /nfs/dbraw/zinc/45/32/01/607453201.db2.gz RRBPXQYCLQLAAO-GFCCVEGCSA-N 0 0 393.407 2.824 20 5 GFBDRN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cnc2ccccc2n1 ZINC000826450857 607523569 /nfs/dbraw/zinc/52/35/69/607523569.db2.gz GXUDLOLGYJTGEA-UHFFFAOYSA-N 0 0 396.754 2.624 20 5 GFBDRN Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000832863500 601731143 /nfs/dbraw/zinc/73/11/43/601731143.db2.gz QZNVVWBRGBABCO-OAQYLSRUSA-N 0 0 397.431 2.752 20 5 GFBDRN COc1ccc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000826204745 607609022 /nfs/dbraw/zinc/60/90/22/607609022.db2.gz XWSSAIABSUFJEI-UHFFFAOYSA-N 0 0 397.391 2.805 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822212931 606137757 /nfs/dbraw/zinc/13/77/57/606137757.db2.gz NKFBMFRRDRFUSJ-UHFFFAOYSA-N 0 0 380.412 2.559 20 5 GFBDRN C[C@H]1CN(c2cc(N3C[C@@H](C)[C@H](C)C3)cc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000820767924 606418043 /nfs/dbraw/zinc/41/80/43/606418043.db2.gz KEQNBVPOQRQUNJ-MQYQWHSLSA-N 0 0 385.472 2.959 20 5 GFBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H](O)c1c(F)cccc1F ZINC000820926748 606419193 /nfs/dbraw/zinc/41/91/93/606419193.db2.gz WBGUXXQNAWNRLJ-BBRMVZONSA-N 0 0 390.350 2.977 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccccc3F)cc(-c3nn[nH]n3)c2c1 ZINC000823644248 606452653 /nfs/dbraw/zinc/45/26/53/606452653.db2.gz HJXARWWFEUKOSI-MRXNPFEDSA-N 0 0 395.354 2.608 20 5 GFBDRN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000820543180 606546010 /nfs/dbraw/zinc/54/60/10/606546010.db2.gz VSZATQYAYZULTN-LBPRGKRZSA-N 0 0 396.407 2.594 20 5 GFBDRN CC[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914286 606588760 /nfs/dbraw/zinc/58/87/60/606588760.db2.gz NLFKHMFHHDFGBZ-KRWDZBQOSA-N 0 0 380.408 2.975 20 5 GFBDRN CC[C@@H](N[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919319 606621675 /nfs/dbraw/zinc/62/16/75/606621675.db2.gz BOZWHNDLTZVKEH-SJORKVTESA-N 0 0 396.407 2.730 20 5 GFBDRN O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000822934681 606622351 /nfs/dbraw/zinc/62/23/51/606622351.db2.gz BPVMDOCIOMDLRG-POHAHGRESA-N 0 0 387.359 2.975 20 5 GFBDRN O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1-c1nn[nH]n1 ZINC000823635450 606645954 /nfs/dbraw/zinc/64/59/54/606645954.db2.gz WQKPYZRHPKGJKP-AWEZNQCLSA-N 0 0 380.364 2.845 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822201106 606710973 /nfs/dbraw/zinc/71/09/73/606710973.db2.gz QXDNANSSKVWFEJ-UHFFFAOYSA-N 0 0 377.704 2.832 20 5 GFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823242312 606836717 /nfs/dbraw/zinc/83/67/17/606836717.db2.gz URTRPCSYGDGRGR-UHFFFAOYSA-N 0 0 391.750 2.889 20 5 GFBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c(O[C@@H]2CCOC2)c1 ZINC000822238780 606947805 /nfs/dbraw/zinc/94/78/05/606947805.db2.gz UOEGHZPNUJYYFA-OAHLLOKOSA-N 0 0 396.407 2.863 20 5 GFBDRN Cc1ccc(-c2nn[nH]n2)cc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822221285 607029439 /nfs/dbraw/zinc/02/94/39/607029439.db2.gz IOEGUJNYYJLAEH-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN CN(Cc1ccc(Br)cc1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821609669 607162526 /nfs/dbraw/zinc/16/25/26/607162526.db2.gz HBGIIOHEOONVKD-UHFFFAOYSA-N 0 0 390.201 2.569 20 5 GFBDRN O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C4CCOCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000826499320 607851442 /nfs/dbraw/zinc/85/14/42/607851442.db2.gz DUQVNUYBNYMKHR-CYBMUJFWSA-N 0 0 395.423 2.576 20 5 GFBDRN O=[N+]([O-])c1cccc(-c2nccc(C=Cc3ccccc3-c3nn[nH]n3)[n+]2[O-])c1 ZINC000826499364 607884423 /nfs/dbraw/zinc/88/44/23/607884423.db2.gz GCVZZXBOTKFILK-CMDGGOBGSA-N 0 0 387.359 2.641 20 5 GFBDRN CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972727 607937134 /nfs/dbraw/zinc/93/71/34/607937134.db2.gz FZNCHKQKRXWYAI-CQSZACIVSA-N 0 0 379.380 2.685 20 5 GFBDRN COCCOc1ccc(-c2nn[nH]n2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826161949 608136152 /nfs/dbraw/zinc/13/61/52/608136152.db2.gz 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385.239 2.740 20 5 GFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814372101 660077891 /nfs/dbraw/zinc/07/78/91/660077891.db2.gz CHUYVUGTJKAEDC-GFCCVEGCSA-N 0 0 381.841 2.890 20 5 GFBDRN O=c1c(Br)cn(Cc2ccnc(Br)c2)cc1[N+](=O)[O-] ZINC000814753744 660094934 /nfs/dbraw/zinc/09/49/34/660094934.db2.gz XWMKEHZCRJQOJJ-UHFFFAOYSA-N 0 0 389.003 2.725 20 5 GFBDRN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025135 660103338 /nfs/dbraw/zinc/10/33/38/660103338.db2.gz BQJNAMOHLDRZCT-ZDUSSCGKSA-N 0 0 382.841 2.709 20 5 GFBDRN Cc1nccn1CCCN(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025568 660103588 /nfs/dbraw/zinc/10/35/88/660103588.db2.gz GHMTYLBJOJDUIH-UHFFFAOYSA-N 0 0 390.824 2.603 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000815027835 660103817 /nfs/dbraw/zinc/10/38/17/660103817.db2.gz LIFUHXDLMSYTBM-IINYFYTJSA-N 0 0 394.852 2.997 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000815031417 660104322 /nfs/dbraw/zinc/10/43/22/660104322.db2.gz SWOHQFDVMKQWHD-CABZTGNLSA-N 0 0 378.809 2.577 20 5 GFBDRN CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815037504 660105675 /nfs/dbraw/zinc/10/56/75/660105675.db2.gz MOTARGBIGOYIKE-CQSZACIVSA-N 0 0 380.825 2.561 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c(F)c1 ZINC000815056309 660107807 /nfs/dbraw/zinc/10/78/07/660107807.db2.gz MGCKXHUQIQBAFC-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN COC(=O)c1sccc1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC000815056463 660107980 /nfs/dbraw/zinc/10/79/80/660107980.db2.gz RBOWXUKPBXAVST-UHFFFAOYSA-N 0 0 377.783 2.864 20 5 GFBDRN COC(=O)c1cccc(CS(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000815057092 660108008 /nfs/dbraw/zinc/10/80/08/660108008.db2.gz HZKPWOZIHMDWDQ-UHFFFAOYSA-N 0 0 385.781 2.944 20 5 GFBDRN NC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000815057591 660108158 /nfs/dbraw/zinc/10/81/58/660108158.db2.gz VFSZBJBHWNHSDK-UHFFFAOYSA-N 0 0 391.188 2.768 20 5 GFBDRN CC(C)S(=O)(=O)CCCOC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815511429 660124272 /nfs/dbraw/zinc/12/42/72/660124272.db2.gz JPCBGXNVMCBRCL-UHFFFAOYSA-N 0 0 383.344 2.984 20 5 GFBDRN CN(C(=O)c1sccc1F)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000815911381 660135434 /nfs/dbraw/zinc/13/54/34/660135434.db2.gz AAHFFXWGAGSQAM-UHFFFAOYSA-N 0 0 378.790 2.910 20 5 GFBDRN CN(CC(=O)OCCCc1cnoc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000816230857 660150515 /nfs/dbraw/zinc/15/05/15/660150515.db2.gz GNHFOYFWNUXHCD-UHFFFAOYSA-N 0 0 398.213 2.958 20 5 GFBDRN CC(C)(C(=O)N1CCn2c(Br)cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000816490684 660158862 /nfs/dbraw/zinc/15/88/62/660158862.db2.gz BKTCDAKGARCBGG-UHFFFAOYSA-N 0 0 393.241 2.874 20 5 GFBDRN Cn1nc(Br)cc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000816710919 660166357 /nfs/dbraw/zinc/16/63/57/660166357.db2.gz KUTRLQLGVWQSLA-UHFFFAOYSA-N 0 0 392.169 2.597 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCOC[C@@H](C2CCC2)C1 ZINC000817042238 660177243 /nfs/dbraw/zinc/17/72/43/660177243.db2.gz XSROAFDHVGIFRY-NSHDSACASA-N 0 0 384.230 2.641 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[C@H](CCO)CC1 ZINC000817130001 660180369 /nfs/dbraw/zinc/18/03/69/660180369.db2.gz LMBRLOKQXVHDMB-NSHDSACASA-N 0 0 378.397 2.580 20 5 GFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000841535403 661293127 /nfs/dbraw/zinc/29/31/27/661293127.db2.gz RZJPOPASRTYKDB-UWVGGRQHSA-N 0 0 393.259 2.512 20 5 GFBDRN CCOC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841542693 661294911 /nfs/dbraw/zinc/29/49/11/661294911.db2.gz KUSJLCVKBALTLL-SNVBAGLBSA-N 0 0 380.825 2.967 20 5 GFBDRN C[C@@H]1C[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)O1 ZINC000841558477 661300488 /nfs/dbraw/zinc/30/04/88/661300488.db2.gz AXVSEYCRLFKXTG-IWSPIJDZSA-N 0 0 383.253 2.993 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](O)C(C)C ZINC000841562408 661302011 /nfs/dbraw/zinc/30/20/11/661302011.db2.gz YWCJQCGBECNWER-MFKMUULPSA-N 0 0 385.269 2.975 20 5 GFBDRN Cc1nnc([C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000841677538 661308590 /nfs/dbraw/zinc/30/85/90/661308590.db2.gz UCCYQHBNKSIXJA-VIFPVBQESA-N 0 0 395.217 2.805 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000844959782 661450527 /nfs/dbraw/zinc/45/05/27/661450527.db2.gz UNCBOZXFHRXCDU-SECBINFHSA-N 0 0 395.264 2.702 20 5 GFBDRN CO[C@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000845343703 661467538 /nfs/dbraw/zinc/46/75/38/661467538.db2.gz RIWZSHFCBUEMHO-SNVBAGLBSA-N 0 0 384.694 2.697 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000845505209 661475303 /nfs/dbraw/zinc/47/53/03/661475303.db2.gz GXRNWHAREWRSEM-UHFFFAOYSA-N 0 0 377.825 2.756 20 5 GFBDRN CC[C@@H]1CO[C@@H](CC)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000845651718 661485555 /nfs/dbraw/zinc/48/55/55/661485555.db2.gz SEODHNHOJKZALI-MNOVXSKESA-N 0 0 378.397 2.985 20 5 GFBDRN C[C@@H]([C@H](OC(=O)c1nn(C)cc1Br)c1ccccc1F)[N+](=O)[O-] ZINC000845876333 661503035 /nfs/dbraw/zinc/50/30/35/661503035.db2.gz CFHKDEBBACKCRU-SDBXPKJASA-N 0 0 386.177 2.885 20 5 GFBDRN CCC[C@@H](C)[C@H](CO)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000845968485 661512420 /nfs/dbraw/zinc/51/24/20/661512420.db2.gz MQMDXOXONAQJNI-SCZZXKLOSA-N 0 0 385.269 2.977 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](CC)CO1 ZINC000845970801 661513514 /nfs/dbraw/zinc/51/35/14/661513514.db2.gz BWAPIZSFMQJNER-UWVGGRQHSA-N 0 0 380.825 2.965 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000846021872 661523506 /nfs/dbraw/zinc/52/35/06/661523506.db2.gz MARRJYALXDMJAF-SECBINFHSA-N 0 0 383.253 2.856 20 5 GFBDRN COCCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847101802 661576384 /nfs/dbraw/zinc/57/63/84/661576384.db2.gz OUUIPTQGYPGLHP-NSHDSACASA-N 0 0 385.726 2.652 20 5 GFBDRN COc1cc(Br)ccc1CCC(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847783951 661610433 /nfs/dbraw/zinc/61/04/33/661610433.db2.gz JIAIBOLPEHFZEY-UHFFFAOYSA-N 0 0 398.213 2.775 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000849412239 661718918 /nfs/dbraw/zinc/71/89/18/661718918.db2.gz IUWIHKWXGMYTFF-NSHDSACASA-N 0 0 375.878 2.708 20 5 GFBDRN CN(CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849413633 661719257 /nfs/dbraw/zinc/71/92/57/661719257.db2.gz SBORPWJHWDYZSB-UHFFFAOYSA-N 0 0 393.487 2.580 20 5 GFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(C)CC1(F)F ZINC000849459968 661729549 /nfs/dbraw/zinc/72/95/49/661729549.db2.gz BPCHOSCAVXWSFU-NSHDSACASA-N 0 0 399.213 2.989 20 5 GFBDRN C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000849461027 661729930 /nfs/dbraw/zinc/72/99/30/661729930.db2.gz SJPODHIGRDFDLV-MWLCHTKSSA-N 0 0 393.259 2.593 20 5 GFBDRN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OCCO[C@H]1CC1(F)F ZINC000849792960 661746376 /nfs/dbraw/zinc/74/63/76/661746376.db2.gz ACSBBICYVPMXMO-LBPRGKRZSA-N 0 0 378.715 2.788 20 5 GFBDRN O=C(c1cccc(OS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCCC1 ZINC000851837285 661837586 /nfs/dbraw/zinc/83/75/86/661837586.db2.gz IAHZAFGDDKHERG-UHFFFAOYSA-N 0 0 382.419 2.660 20 5 GFBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@](C)(C(F)F)C1 ZINC000852784810 661874307 /nfs/dbraw/zinc/87/43/07/661874307.db2.gz SWJVPTWCABIQQR-PSLIRLAXSA-N 0 0 377.775 2.931 20 5 GFBDRN CN(C[C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000853609820 661894823 /nfs/dbraw/zinc/89/48/23/661894823.db2.gz UKEOCWRERHVPNL-LLVKDONJSA-N 0 0 377.413 2.640 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC(N2CCCS2(=O)=O)CC1 ZINC000853689354 661897166 /nfs/dbraw/zinc/89/71/66/661897166.db2.gz QKHMFOZLRJPELV-UHFFFAOYSA-N 0 0 375.397 2.537 20 5 GFBDRN COC(=O)/C=C/c1ccc(NCC[S@@](=O)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000853763605 661899663 /nfs/dbraw/zinc/89/96/63/661899663.db2.gz VDANMQFZFPWGMR-CMEKQAILSA-N 0 0 380.344 2.504 20 5 GFBDRN C[C@H]1COC2(CCC2)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000853808335 661901890 /nfs/dbraw/zinc/90/18/90/661901890.db2.gz CZMZREIWIYRSAB-JTQLQIEISA-N 0 0 376.381 2.739 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1C[C@H](O)C12CCC2 ZINC000853869734 661905287 /nfs/dbraw/zinc/90/52/87/661905287.db2.gz BDZMVBWTZQHPLR-RYUDHWBXSA-N 0 0 380.344 2.604 20 5 GFBDRN Cc1noc(COC(=O)[C@H]2COc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000853907039 661907160 /nfs/dbraw/zinc/90/71/60/661907160.db2.gz QKNHIVVLPMUJEO-JTQLQIEISA-N 0 0 383.154 2.873 20 5 GFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCn2ncc(Br)c2C1 ZINC000856012970 662016225 /nfs/dbraw/zinc/01/62/25/662016225.db2.gz QSDKCPFDZXTDMP-UHFFFAOYSA-N 0 0 395.213 2.609 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC1SCCS1 ZINC000856220869 662025768 /nfs/dbraw/zinc/02/57/68/662025768.db2.gz PJZYGPSWPUEQPM-UHFFFAOYSA-N 0 0 379.463 2.834 20 5 GFBDRN C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000856291489 662028158 /nfs/dbraw/zinc/02/81/58/662028158.db2.gz BZYXTJUUSAGXES-QMTHXVAHSA-N 0 0 394.225 2.647 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000856746901 662040762 /nfs/dbraw/zinc/04/07/62/662040762.db2.gz DUTJGANHUJTASI-ZETCQYMHSA-N 0 0 385.186 2.681 20 5 GFBDRN Cc1c(COC(=O)c2c(Br)nc3n2CCOC3)cccc1[N+](=O)[O-] ZINC000856958287 662055192 /nfs/dbraw/zinc/05/51/92/662055192.db2.gz KTJQETOWRWLGKL-UHFFFAOYSA-N 0 0 396.197 2.749 20 5 GFBDRN CO[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1CCC1 ZINC000857610849 662083206 /nfs/dbraw/zinc/08/32/06/662083206.db2.gz FVYUUARORWXRQQ-GFCCVEGCSA-N 0 0 390.177 2.953 20 5 GFBDRN C[C@]1(Br)C[C@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000858777219 662122951 /nfs/dbraw/zinc/12/29/51/662122951.db2.gz HBHRPJBUFBNCDJ-XPTSAGLGSA-N 0 0 391.185 2.866 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(C2OCCO2)CC1 ZINC000859061831 662134641 /nfs/dbraw/zinc/13/46/41/662134641.db2.gz SQLKOKZRZUIOQT-UHFFFAOYSA-N 0 0 385.214 2.582 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)cc1OS(=O)(=O)CCC1CCOCC1 ZINC000859281474 662149662 /nfs/dbraw/zinc/14/96/62/662149662.db2.gz OEHIXRIEBXCJHB-UHFFFAOYSA-N 0 0 394.243 2.883 20 5 GFBDRN CCOc1nnc(COC(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000859999023 662181549 /nfs/dbraw/zinc/18/15/49/662181549.db2.gz GSESUBICGFFHCQ-UHFFFAOYSA-N 0 0 388.199 2.965 20 5 GFBDRN C[C@]1(Br)C[C@@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860114211 662188075 /nfs/dbraw/zinc/18/80/75/662188075.db2.gz QNRRLMLBWQTYOL-OQPBUACISA-N 0 0 391.605 2.903 20 5 GFBDRN C[C@]1(Br)C[C@H]1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000860114212 662188097 /nfs/dbraw/zinc/18/80/97/662188097.db2.gz QNRRLMLBWQTYOL-SDBXPKJASA-N 0 0 391.605 2.903 20 5 GFBDRN C[C@@]1(Br)C[C@H]1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000860118157 662190071 /nfs/dbraw/zinc/19/00/71/662190071.db2.gz LHQVABAFJNTQPU-ZUZCIYMTSA-N 0 0 399.197 2.610 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CCCNC1=O ZINC000861249260 662235485 /nfs/dbraw/zinc/23/54/85/662235485.db2.gz QBFFEGAPGSEKFE-SNVBAGLBSA-N 0 0 385.214 2.739 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000862525643 662289538 /nfs/dbraw/zinc/28/95/38/662289538.db2.gz FBXGTIWWGFQTLN-MNOVXSKESA-N 0 0 389.271 2.509 20 5 GFBDRN CCOC(=O)C1=CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000862885028 662304564 /nfs/dbraw/zinc/30/45/64/662304564.db2.gz LNTQCYZKDQTBAG-SNVBAGLBSA-N 0 0 383.198 2.739 20 5 GFBDRN Cn1c(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000863578555 662337373 /nfs/dbraw/zinc/33/73/73/662337373.db2.gz NVWCUGVGYHKINJ-UKRRQHHQSA-N 0 0 394.225 2.644 20 5 GFBDRN Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864822607 662387776 /nfs/dbraw/zinc/38/77/76/662387776.db2.gz LZGRIHOOWNRFGI-ZDUSSCGKSA-N 0 0 393.241 2.827 20 5 GFBDRN COC(=O)[C@H](C)CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865116782 662399819 /nfs/dbraw/zinc/39/98/19/662399819.db2.gz NBTZZDSSTGXVQD-SNVBAGLBSA-N 0 0 399.241 2.700 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H](n2ccnc2)C1 ZINC000865159415 662401681 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GFBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccsc1Cl ZINC000438566564 563707458 /nfs/dbraw/zinc/70/74/58/563707458.db2.gz IFCRHNREMPCEEH-UHFFFAOYSA-N 0 0 389.842 2.617 20 5 GFBDRN CCc1nnc(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])s1 ZINC000290621263 563716116 /nfs/dbraw/zinc/71/61/16/563716116.db2.gz GLFOSEDPIUOYCN-UHFFFAOYSA-N 0 0 378.382 2.617 20 5 GFBDRN CCc1nnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]1 ZINC000290641303 563717038 /nfs/dbraw/zinc/71/70/38/563717038.db2.gz DKOGJOWMYYJTBS-LURJTMIESA-N 0 0 394.240 2.622 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000439112220 563717773 /nfs/dbraw/zinc/71/77/73/563717773.db2.gz BOTYXOQULDPBCV-ZDUSSCGKSA-N 0 0 385.873 2.844 20 5 GFBDRN CCC(=O)N1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363727958 563731410 /nfs/dbraw/zinc/73/14/10/563731410.db2.gz VIOTXAXGIFQJPE-UHFFFAOYSA-N 0 0 385.873 2.811 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000363857367 563735640 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ZINC000293794638 563823925 /nfs/dbraw/zinc/82/39/25/563823925.db2.gz XDGADBYLJDBFQP-AWEZNQCLSA-N 0 0 386.495 2.503 20 5 GFBDRN CO[C@@H](C)c1nc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416418527 563826349 /nfs/dbraw/zinc/82/63/49/563826349.db2.gz RDQHULAEFQARCQ-NSHDSACASA-N 0 0 385.467 2.854 20 5 GFBDRN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444272 563829183 /nfs/dbraw/zinc/82/91/83/563829183.db2.gz XTNJYRVYRHRBCB-GXSJLCMTSA-N 0 0 382.360 2.538 20 5 GFBDRN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416444273 563829273 /nfs/dbraw/zinc/82/92/73/563829273.db2.gz XTNJYRVYRHRBCB-KOLCDFICSA-N 0 0 382.360 2.538 20 5 GFBDRN COC1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416450734 563830280 /nfs/dbraw/zinc/83/02/80/563830280.db2.gz ASEDZRSWBNQDNH-UHFFFAOYSA-N 0 0 382.360 2.803 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)c(O)c1 ZINC000444631744 563834410 /nfs/dbraw/zinc/83/44/10/563834410.db2.gz AULMPDPHKSFQPT-UHFFFAOYSA-N 0 0 391.181 2.869 20 5 GFBDRN Cn1cc([C@H](O)C[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000367262920 563838619 /nfs/dbraw/zinc/83/86/19/563838619.db2.gz SUYDABYNPZHGMB-BXUZGUMPSA-N 0 0 396.245 2.578 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000294351433 563839615 /nfs/dbraw/zinc/83/96/15/563839615.db2.gz ZNBGVPHOGSRUEK-CABCVRRESA-N 0 0 390.820 2.719 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000294351456 563839901 /nfs/dbraw/zinc/83/99/01/563839901.db2.gz ZNBGVPHOGSRUEK-HUUCEWRRSA-N 0 0 390.820 2.719 20 5 GFBDRN C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000445013367 563840867 /nfs/dbraw/zinc/84/08/67/563840867.db2.gz QDMOCQUQQFEOMX-VIFPVBQESA-N 0 0 396.197 2.655 20 5 GFBDRN COc1cc(S(=O)(=O)N[C@@H](C)c2nc3c(s2)CCC3)ccc1[N+](=O)[O-] ZINC000416531567 563843807 /nfs/dbraw/zinc/84/38/07/563843807.db2.gz FFWIGYKGZIYTLW-VIFPVBQESA-N 0 0 383.451 2.588 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000416531364 563843849 /nfs/dbraw/zinc/84/38/49/563843849.db2.gz UUZGKRKUTGAMMP-LLVKDONJSA-N 0 0 382.360 2.803 20 5 GFBDRN COc1cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc(Br)c1OC ZINC000294492344 563844584 /nfs/dbraw/zinc/84/45/84/563844584.db2.gz JDQSUHLUMISNMR-UHFFFAOYSA-N 0 0 389.246 2.918 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)c1 ZINC000367554569 563848388 /nfs/dbraw/zinc/84/83/88/563848388.db2.gz VMGAZMOXUGIWJU-AWEZNQCLSA-N 0 0 378.809 2.579 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cc(F)ccc2Br)n1 ZINC000445577454 563850779 /nfs/dbraw/zinc/85/07/79/563850779.db2.gz QYKBJYMWMQZOJA-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602349 563852117 /nfs/dbraw/zinc/85/21/17/563852117.db2.gz WZRZOYUUUZGYGS-APPZFPTMSA-N 0 0 381.273 2.530 20 5 GFBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC([C@H]3CCOC3)CC2)cc1Cl ZINC000367719898 563852940 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O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000565134103 564267573 /nfs/dbraw/zinc/26/75/73/564267573.db2.gz CJYOGDBHABMHID-GFCCVEGCSA-N 0 0 379.825 2.843 20 5 GFBDRN Cn1cnnc1Sc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl ZINC000509028255 564279239 /nfs/dbraw/zinc/27/92/39/564279239.db2.gz FUHICIADNQABIK-UHFFFAOYSA-N 0 0 379.789 2.503 20 5 GFBDRN C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509139674 564283146 /nfs/dbraw/zinc/28/31/46/564283146.db2.gz QMGZUUGXMYNODS-LLVKDONJSA-N 0 0 382.825 2.727 20 5 GFBDRN CNc1nccc(C(=O)N(C)CCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000565784717 564296023 /nfs/dbraw/zinc/29/60/23/564296023.db2.gz VZVKBAGXTXNKMP-UHFFFAOYSA-N 0 0 393.241 2.531 20 5 GFBDRN Cc1c(Br)c(NCC(=O)NCCc2ccccc2)ncc1[N+](=O)[O-] ZINC000542506478 564315952 /nfs/dbraw/zinc/31/59/52/564315952.db2.gz UDSVNHZETAUQNG-UHFFFAOYSA-N 0 0 393.241 2.832 20 5 GFBDRN NS(=O)(=O)c1cccc(Oc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000542765016 564325888 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GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2nc3ccccc3s2)cc1 ZINC000566819645 564344961 /nfs/dbraw/zinc/34/49/61/564344961.db2.gz FDAQORSNYHHZFF-UHFFFAOYSA-N 0 0 377.447 2.768 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000451761037 564348370 /nfs/dbraw/zinc/34/83/70/564348370.db2.gz OCLQZGGOTVEFBF-INIZCTEOSA-N 0 0 384.841 2.911 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000510964352 564352086 /nfs/dbraw/zinc/35/20/86/564352086.db2.gz CRNKOEQGYCVUBL-ZETCQYMHSA-N 0 0 377.756 2.961 20 5 GFBDRN CSc1ccsc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543512460 564353405 /nfs/dbraw/zinc/35/34/05/564353405.db2.gz JIWKQHUEDJLINF-UHFFFAOYSA-N 0 0 386.476 2.582 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cn3cc(Br)ccc3n2)cc1 ZINC000477094432 564364633 /nfs/dbraw/zinc/36/46/33/564364633.db2.gz XQUVNJLBBJZYCB-UHFFFAOYSA-N 0 0 396.222 2.979 20 5 GFBDRN Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC000511314402 564366584 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Cc1c(Br)c(=O)n(C[C@@H](O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000453009417 564442420 /nfs/dbraw/zinc/44/24/20/564442420.db2.gz MOAARNOLOPDFNV-QMTHXVAHSA-N 0 0 381.226 2.992 20 5 GFBDRN O=C(CN1CCO[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000514209708 564448122 /nfs/dbraw/zinc/44/81/22/564448122.db2.gz XEZXBBCKHFYXJY-KBPBESRZSA-N 0 0 384.230 2.549 20 5 GFBDRN O=C(Nc1cccc2c1CNC2=O)c1ccc([N+](=O)[O-])cc1Br ZINC000514622198 564451744 /nfs/dbraw/zinc/45/17/44/564451744.db2.gz MDPCVBZDJZBUAR-UHFFFAOYSA-N 0 0 376.166 2.853 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(Cc2ccc(Br)s2)no1 ZINC000546289646 564453571 /nfs/dbraw/zinc/45/35/71/564453571.db2.gz KXHTZNGLELDWRL-UHFFFAOYSA-N 0 0 397.210 2.603 20 5 GFBDRN CC(C)N(CCc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1)S(C)(=O)=O ZINC000546344954 564454341 /nfs/dbraw/zinc/45/43/41/564454341.db2.gz HYWZGGRLOHWTOJ-UHFFFAOYSA-N 0 0 388.833 2.511 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(-c2nc(-c3ncc[nH]3)no2)c1 ZINC000546441490 564455611 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Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000470639059 565051642 /nfs/dbraw/zinc/05/16/42/565051642.db2.gz OTJFPSYTIYYYOI-UHFFFAOYSA-N 0 0 382.764 2.892 20 5 GFBDRN CNc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000537783842 565062805 /nfs/dbraw/zinc/06/28/05/565062805.db2.gz GDETUUTZHCZIKN-CQSZACIVSA-N 0 0 394.225 2.862 20 5 GFBDRN C[C@H]1CC(O)C[C@H](C)N1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584747832 565094849 /nfs/dbraw/zinc/09/48/49/565094849.db2.gz BMHKRLXEPRJRSR-UWVGGRQHSA-N 0 0 390.221 2.933 20 5 GFBDRN CS(=O)(=O)NC[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000585703462 565105323 /nfs/dbraw/zinc/10/53/23/565105323.db2.gz SJUJBDYZAFNOTA-SECBINFHSA-N 0 0 382.269 2.667 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1ccc2c[nH]nc2c1 ZINC000585739780 565108844 /nfs/dbraw/zinc/10/88/44/565108844.db2.gz HSYRGXWDXQMDSA-UHFFFAOYSA-N 0 0 380.813 2.646 20 5 GFBDRN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000585756956 565109287 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390.870 2.901 20 5 GFBDRN COC(=O)c1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(C)cc1Br ZINC000588864424 565141525 /nfs/dbraw/zinc/14/15/25/565141525.db2.gz HACUXGJPLOLTGX-UHFFFAOYSA-N 0 0 397.185 2.736 20 5 GFBDRN NS(=O)(=O)c1cccc(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c1 ZINC000589105324 565150668 /nfs/dbraw/zinc/15/06/68/565150668.db2.gz KIIIVPMOYSWYOL-UHFFFAOYSA-N 0 0 375.328 2.873 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H](CCO)C2)c1 ZINC000589253178 565157304 /nfs/dbraw/zinc/15/73/04/565157304.db2.gz JGSLHBICIUPQTH-LLVKDONJSA-N 0 0 390.221 2.794 20 5 GFBDRN O=C(NC1(c2ccc(Br)cc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000616021194 565185386 /nfs/dbraw/zinc/18/53/86/565185386.db2.gz XZPKJKVUVFUBKB-UHFFFAOYSA-N 0 0 378.182 2.877 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000590549887 565191244 /nfs/dbraw/zinc/19/12/44/565191244.db2.gz HICNAPGOXITSKP-UHFFFAOYSA-N 0 0 396.197 2.936 20 5 GFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000591258909 565219660 /nfs/dbraw/zinc/21/96/60/565219660.db2.gz MCXDYYSXWBCGPR-UHFFFAOYSA-N 0 0 387.845 2.823 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000592646367 565287876 /nfs/dbraw/zinc/28/78/76/565287876.db2.gz JBHIKQBMTJRKTD-UHFFFAOYSA-N 0 0 380.714 2.541 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCS[C@H]1C ZINC000592734399 565290611 /nfs/dbraw/zinc/29/06/11/565290611.db2.gz GIFVKPIMROEEOH-GWCFXTLKSA-N 0 0 384.479 2.874 20 5 GFBDRN O=c1c2cncnc2c(Br)cn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000618644872 565308624 /nfs/dbraw/zinc/30/86/24/565308624.db2.gz LQKVOMNOUVFXBZ-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547517 565340582 /nfs/dbraw/zinc/34/05/82/565340582.db2.gz RZQHOYGOVOVQKN-MEBBXXQBSA-N 0 0 385.829 2.698 20 5 GFBDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593572868 565343615 /nfs/dbraw/zinc/34/36/15/565343615.db2.gz MTMDHDZRLYBISV-MEBBXXQBSA-N 0 0 385.829 2.698 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCOc3c(Cl)cccc32)nc1 ZINC000593574052 565344296 /nfs/dbraw/zinc/34/42/96/565344296.db2.gz XMMRQUDABUHNDO-CYBMUJFWSA-N 0 0 383.813 2.835 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC(F)(F)F)CC1CC1 ZINC000619490157 565344966 /nfs/dbraw/zinc/34/49/66/565344966.db2.gz ZVJSXAVWFHTLKB-UHFFFAOYSA-N 0 0 382.360 2.957 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000619497830 565345018 /nfs/dbraw/zinc/34/50/18/565345018.db2.gz UUMJMBSCKDKXBX-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585264 565345362 /nfs/dbraw/zinc/34/53/62/565345362.db2.gz GQUJENKCPMNCKA-CQSZACIVSA-N 0 0 385.829 2.651 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c1 ZINC000593665833 565355251 /nfs/dbraw/zinc/35/52/51/565355251.db2.gz KVUGMNWGTGQJOD-NSHDSACASA-N 0 0 397.197 2.777 20 5 GFBDRN O=[N+]([O-])c1ccsc1NCCNS(=O)(=O)c1ccc(F)cc1Cl 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390.483 2.755 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000595399803 565473864 /nfs/dbraw/zinc/47/38/64/565473864.db2.gz XULNEYHSXQORSG-CMPLNLGQSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000595413909 565475984 /nfs/dbraw/zinc/47/59/84/565475984.db2.gz BLWNANXPUHKUJY-UHFFFAOYSA-N 0 0 381.357 2.857 20 5 GFBDRN O=[N+]([O-])c1cccnc1N1CCN(Cc2ncsc2Br)CC1 ZINC000595523453 565481741 /nfs/dbraw/zinc/48/17/41/565481741.db2.gz JFOMAPUBDROABL-UHFFFAOYSA-N 0 0 384.259 2.531 20 5 GFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@](C)(C(F)F)C1 ZINC000595914749 565498340 /nfs/dbraw/zinc/49/83/40/565498340.db2.gz FWOYVTFJVHWMHJ-PSLIRLAXSA-N 0 0 377.775 2.931 20 5 GFBDRN Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000596038084 565506576 /nfs/dbraw/zinc/50/65/76/565506576.db2.gz JLEPHQUZWYLLCO-UHFFFAOYSA-N 0 0 385.345 2.790 20 5 GFBDRN Cc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])s1 ZINC000596056305 565510868 /nfs/dbraw/zinc/51/08/68/565510868.db2.gz RDJWOURBIYYDCQ-UHFFFAOYSA-N 0 0 384.435 2.778 20 5 GFBDRN Cn1cccc1C(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596080922 565512991 /nfs/dbraw/zinc/51/29/91/565512991.db2.gz PRUXAVZUVKDKDO-UHFFFAOYSA-N 0 0 393.241 2.658 20 5 GFBDRN COCCOC1(CNc2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000596250806 565516493 /nfs/dbraw/zinc/51/64/93/565516493.db2.gz VCVWGJYPLUZOIZ-UHFFFAOYSA-N 0 0 389.246 2.981 20 5 GFBDRN Nc1c(NC(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090157 565551700 /nfs/dbraw/zinc/55/17/00/565551700.db2.gz HZQWSBSTIWHFJM-KGFZYKRKSA-N 0 0 382.726 2.607 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000597678006 565569961 /nfs/dbraw/zinc/56/99/61/565569961.db2.gz PZIICHNRMLCGHV-CQSZACIVSA-N 0 0 387.230 2.939 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1 ZINC000597748537 565574306 /nfs/dbraw/zinc/57/43/06/565574306.db2.gz RFSVVUVTMPHRHD-OAHLLOKOSA-N 0 0 387.223 2.756 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000598423428 565616141 /nfs/dbraw/zinc/61/61/41/565616141.db2.gz LCYGJPZEUQAKIB-AWEZNQCLSA-N 0 0 379.214 2.918 20 5 GFBDRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598438044 565618071 /nfs/dbraw/zinc/61/80/71/565618071.db2.gz FBYKADOXQJKNCZ-LLVKDONJSA-N 0 0 398.257 2.734 20 5 GFBDRN CC1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000598561238 565626848 /nfs/dbraw/zinc/62/68/48/565626848.db2.gz ZQODVEMTIOEXTD-UHFFFAOYSA-N 0 0 385.258 2.957 20 5 GFBDRN COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)cn1 ZINC000598613575 565629004 /nfs/dbraw/zinc/62/90/04/565629004.db2.gz JXWOPFVXNKHRRX-UHFFFAOYSA-N 0 0 396.245 2.795 20 5 GFBDRN COc1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c(Br)cn1 ZINC000598714757 565637160 /nfs/dbraw/zinc/63/71/60/565637160.db2.gz RPDCWVIXADGOTL-UHFFFAOYSA-N 0 0 394.225 2.850 20 5 GFBDRN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598758090 565640238 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O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1 ZINC000761986150 656027470 /nfs/dbraw/zinc/02/74/70/656027470.db2.gz FQYPASKRFHIKCC-UHFFFAOYSA-N 0 0 380.154 2.548 20 5 GFBDRN Cn1cnnc1Sc1ccc(C(=O)OC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000762137013 656033226 /nfs/dbraw/zinc/03/32/26/656033226.db2.gz JUONSAJDKWVMRQ-JTQLQIEISA-N 0 0 380.451 2.784 20 5 GFBDRN O=C1O[C@@H](COc2cc([N+](=O)[O-])ccc2I)CC12CC2 ZINC000762216862 656036506 /nfs/dbraw/zinc/03/65/06/656036506.db2.gz UNRNJDKSCYWOMG-SECBINFHSA-N 0 0 389.145 2.674 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1C ZINC000762524626 656046060 /nfs/dbraw/zinc/04/60/60/656046060.db2.gz ILMCTZLEYAIMOF-IPYPFGDCSA-N 0 0 388.536 2.870 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762528773 656046584 /nfs/dbraw/zinc/04/65/84/656046584.db2.gz YIYBODFHRHHADI-HZSPNIEDSA-N 0 0 388.536 2.870 20 5 GFBDRN CCS(=O)(=O)c1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000762572267 656049512 /nfs/dbraw/zinc/04/95/12/656049512.db2.gz JZFUPIYPWSLCJN-UHFFFAOYSA-N 0 0 382.825 2.972 20 5 GFBDRN CN(C(=O)COC(=O)c1ccnc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000762938374 656065296 /nfs/dbraw/zinc/06/52/96/656065296.db2.gz CFVKQPZYTDJHEC-UHFFFAOYSA-N 0 0 394.181 2.572 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C3CC3)C2)cc1Br ZINC000763439682 656083430 /nfs/dbraw/zinc/08/34/30/656083430.db2.gz YNBLUMGYGGZVTQ-SNVBAGLBSA-N 0 0 375.244 2.778 20 5 GFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000763610044 656088007 /nfs/dbraw/zinc/08/80/07/656088007.db2.gz DSLJMNLRRXNOOY-UHFFFAOYSA-N 0 0 383.403 2.871 20 5 GFBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OC/C(Cl)=C\Cl ZINC000763861280 656094953 /nfs/dbraw/zinc/09/49/53/656094953.db2.gz TXRZYZJNGWTDFE-FNORWQNLSA-N 0 0 390.208 2.745 20 5 GFBDRN O=C(COC(=O)c1ccncc1Br)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000764148081 656102674 /nfs/dbraw/zinc/10/26/74/656102674.db2.gz FOPKDGCNGDRJHZ-UHFFFAOYSA-N 0 0 398.144 2.687 20 5 GFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@@H](O)C2CC2)cc1Br ZINC000764163230 656103346 /nfs/dbraw/zinc/10/33/46/656103346.db2.gz XAQUCUOGDFMALX-CQSZACIVSA-N 0 0 387.230 2.741 20 5 GFBDRN O=C(Nn1cc(Br)cn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000765095403 656131422 /nfs/dbraw/zinc/13/14/22/656131422.db2.gz XMUNJQKBYVTTGN-UHFFFAOYSA-N 0 0 389.991 2.700 20 5 GFBDRN CSC(C)(C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765194903 656136208 /nfs/dbraw/zinc/13/62/08/656136208.db2.gz IRNVOKSWFTVCIN-UHFFFAOYSA-N 0 0 383.289 2.777 20 5 GFBDRN O=C(OC[C@H]1CCCOC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000765922135 656154654 /nfs/dbraw/zinc/15/46/54/656154654.db2.gz AHNPLIVMTHQPNT-VIFPVBQESA-N 0 0 391.161 2.783 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000766466185 656172209 /nfs/dbraw/zinc/17/22/09/656172209.db2.gz NSCGWWUMRJTHBW-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN COC(=O)c1cc(OS(=O)(=O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000766493874 656173172 /nfs/dbraw/zinc/17/31/72/656173172.db2.gz FOTAZSNAIMDAAO-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN CCOC(=O)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000767182037 656195661 /nfs/dbraw/zinc/19/56/61/656195661.db2.gz XPIJQHFWUWJTGF-UHFFFAOYSA-N 0 0 385.214 2.915 20 5 GFBDRN CCn1cc(S(=O)(=O)NNc2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000768047587 656231244 /nfs/dbraw/zinc/23/12/44/656231244.db2.gz DZRGCTRBLJKPBV-UHFFFAOYSA-N 0 0 398.203 2.563 20 5 GFBDRN Nc1c(Br)nccc1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000768590003 656243719 /nfs/dbraw/zinc/24/37/19/656243719.db2.gz YCFDMMACEOEKPP-UHFFFAOYSA-N 0 0 382.170 2.570 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1CNc1cnn(-c2ncccn2)c1 ZINC000768639792 656247292 /nfs/dbraw/zinc/24/72/92/656247292.db2.gz XAQCVFABJOHUBJ-UHFFFAOYSA-N 0 0 375.186 2.945 20 5 GFBDRN COc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000768804783 656252062 /nfs/dbraw/zinc/25/20/62/656252062.db2.gz ATKGFGOBWWNWFG-UHFFFAOYSA-N 0 0 386.451 2.931 20 5 GFBDRN COc1ncc(Br)cc1COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000768823442 656252788 /nfs/dbraw/zinc/25/27/88/656252788.db2.gz CLVUQYLWLGDLBD-UHFFFAOYSA-N 0 0 396.197 2.916 20 5 GFBDRN COc1ncc(Br)cc1COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000768835511 656254278 /nfs/dbraw/zinc/25/42/78/656254278.db2.gz OVBFWTCQMTYXQL-UHFFFAOYSA-N 0 0 397.181 2.883 20 5 GFBDRN COC(=O)CCN(c1ccccc1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768893195 656259566 /nfs/dbraw/zinc/25/95/66/656259566.db2.gz XSHIPPLXLIVFMQ-UHFFFAOYSA-N 0 0 384.435 2.723 20 5 GFBDRN CCCCc1nc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])no1 ZINC000769824230 656293406 /nfs/dbraw/zinc/29/34/06/656293406.db2.gz BZZLTFVXGMFAKY-UHFFFAOYSA-N 0 0 385.174 2.835 20 5 GFBDRN COc1cccc(C(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])c1 ZINC000769830600 656293848 /nfs/dbraw/zinc/29/38/48/656293848.db2.gz BNGBAZJEDRFGKF-UHFFFAOYSA-N 0 0 395.165 2.801 20 5 GFBDRN C[C@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000769837202 656294459 /nfs/dbraw/zinc/29/44/59/656294459.db2.gz OPLIWSPJAZQAFN-ZETCQYMHSA-N 0 0 375.175 2.639 20 5 GFBDRN CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769841425 656294661 /nfs/dbraw/zinc/29/46/61/656294661.db2.gz ZEDNTVNCADFBHC-DTWKUNHWSA-N 0 0 388.218 2.602 20 5 GFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)COCC(F)(F)F ZINC000769894530 656297967 /nfs/dbraw/zinc/29/79/67/656297967.db2.gz FBJRDRHBEPURSQ-MRVPVSSYSA-N 0 0 390.767 2.802 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccnc1Br ZINC000769914911 656300551 /nfs/dbraw/zinc/30/05/51/656300551.db2.gz ZFSWXSCAIRXYJM-UHFFFAOYSA-N 0 0 389.183 2.529 20 5 GFBDRN O=C(NCCC1CCS(=O)(=O)CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770019236 656303951 /nfs/dbraw/zinc/30/39/51/656303951.db2.gz LRWOYXHNAFAPBP-UHFFFAOYSA-N 0 0 375.834 2.585 20 5 GFBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1I ZINC000770485627 656320489 /nfs/dbraw/zinc/32/04/89/656320489.db2.gz HJRGLEWHMZYOGJ-UHFFFAOYSA-N 0 0 397.172 2.567 20 5 GFBDRN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000770703736 656327504 /nfs/dbraw/zinc/32/75/04/656327504.db2.gz DIBXZXQLNYYZLF-UHLUBPPHSA-N 0 0 386.191 2.854 20 5 GFBDRN Cc1cc(Br)cc2c(C(=O)OCCn3cnc([N+](=O)[O-])n3)coc21 ZINC000770879034 656333597 /nfs/dbraw/zinc/33/35/97/656333597.db2.gz AXBHXZZJVTVWBI-UHFFFAOYSA-N 0 0 395.169 2.860 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000771390613 656348433 /nfs/dbraw/zinc/34/84/33/656348433.db2.gz MMUBAUNCBGMICA-JTQLQIEISA-N 0 0 384.179 2.961 20 5 GFBDRN C[S@@](=O)Cc1cccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000771511923 656351751 /nfs/dbraw/zinc/35/17/51/656351751.db2.gz WJUPVIBDLJVSNJ-RUZDIDTESA-N 0 0 376.419 2.730 20 5 GFBDRN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000771683533 656359689 /nfs/dbraw/zinc/35/96/89/656359689.db2.gz LWOBCEGIDIPQDM-QMMMGPOBSA-N 0 0 380.369 2.733 20 5 GFBDRN CCC1(O)CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000771802638 656362610 /nfs/dbraw/zinc/36/26/10/656362610.db2.gz VAGCWBDMTDHVEM-UHFFFAOYSA-N 0 0 376.862 2.919 20 5 GFBDRN Nc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1Cl ZINC000772078401 656372063 /nfs/dbraw/zinc/37/20/63/656372063.db2.gz YBJYIBYQJHLGCL-UHFFFAOYSA-N 0 0 385.163 2.674 20 5 GFBDRN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000772499753 656381260 /nfs/dbraw/zinc/38/12/60/656381260.db2.gz HNAMCNLTVDIXCQ-GWCFXTLKSA-N 0 0 377.802 2.689 20 5 GFBDRN CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)CCO2 ZINC000773058055 656397852 /nfs/dbraw/zinc/39/78/52/656397852.db2.gz QQCJCXJJQBVWOD-ZDUSSCGKSA-N 0 0 384.435 2.857 20 5 GFBDRN CC(=O)N[C@@H](CC(C)C)C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773463442 656450175 /nfs/dbraw/zinc/45/01/75/656450175.db2.gz WZRWWSLVXWZSBY-ZDUSSCGKSA-N 0 0 387.230 2.951 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773462344 656450198 /nfs/dbraw/zinc/45/01/98/656450198.db2.gz OLNQFTGMNWIOPD-UHFFFAOYSA-N 0 0 397.141 2.600 20 5 GFBDRN COC(=O)c1cccc(COC(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000773472222 656451388 /nfs/dbraw/zinc/45/13/88/656451388.db2.gz YZLQSHCKKHMNLL-UHFFFAOYSA-N 0 0 395.165 2.896 20 5 GFBDRN NC(=O)[C@H]1CCC[C@@H](C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000773472925 656451400 /nfs/dbraw/zinc/45/14/00/656451400.db2.gz WJTIIHYSBHGRBM-WDEREUQCSA-N 0 0 385.214 2.692 20 5 GFBDRN O=C(OCCOC1CCOCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000774269319 656510917 /nfs/dbraw/zinc/51/09/17/656510917.db2.gz KWMIGCVUBRADNR-UHFFFAOYSA-N 0 0 380.216 2.771 20 5 GFBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ncc1Br ZINC000774460199 656529642 /nfs/dbraw/zinc/52/96/42/656529642.db2.gz MKVBYJOSZUIEHQ-UHFFFAOYSA-N 0 0 395.169 2.633 20 5 GFBDRN Nc1ccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)nc1Br ZINC000775073129 656592640 /nfs/dbraw/zinc/59/26/40/656592640.db2.gz LRGILDHMOCBWRI-UHFFFAOYSA-N 0 0 382.170 2.570 20 5 GFBDRN O=C(OCCCCCCO)c1ccc(I)c([N+](=O)[O-])c1 ZINC000776383720 656736293 /nfs/dbraw/zinc/73/62/93/656736293.db2.gz PPHBBWVPUFJIHT-UHFFFAOYSA-N 0 0 393.177 2.909 20 5 GFBDRN C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000778049380 656857442 /nfs/dbraw/zinc/85/74/42/656857442.db2.gz FTAZHFKGWJSJHK-KCJUWKMLSA-N 0 0 381.223 2.726 20 5 GFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)Nc1ccccc1Br ZINC000778141818 656868058 /nfs/dbraw/zinc/86/80/58/656868058.db2.gz UOMKGCNPXBMTKZ-UHFFFAOYSA-N 0 0 394.181 2.735 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCC(F)(F)F ZINC000780283610 656995821 /nfs/dbraw/zinc/99/58/21/656995821.db2.gz WGGJPMVTAJPUES-UHFFFAOYSA-N 0 0 380.344 2.932 20 5 GFBDRN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000781449919 657057015 /nfs/dbraw/zinc/05/70/15/657057015.db2.gz YTZYPZHWVYTZJZ-CLAHSXSESA-N 0 0 385.207 2.962 20 5 GFBDRN NC(=O)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccccc1 ZINC000781672617 657071456 /nfs/dbraw/zinc/07/14/56/657071456.db2.gz DYUNAVMGUQIXDA-ZDUSSCGKSA-N 0 0 379.166 2.741 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Oc2ccc(F)nc2)c1 ZINC000781743751 657076981 /nfs/dbraw/zinc/07/69/81/657076981.db2.gz NLWPMPKHPZNUQY-UHFFFAOYSA-N 0 0 377.147 2.659 20 5 GFBDRN Cn1nc(C(F)(F)F)c(COC(=O)c2c(N)cccc2[N+](=O)[O-])c1Cl ZINC000782358126 657134866 /nfs/dbraw/zinc/13/48/66/657134866.db2.gz JHGCNQLCBUYJHD-UHFFFAOYSA-N 0 0 378.694 2.940 20 5 GFBDRN O=C(CCn1cccc1)Oc1cc([N+](=O)[O-])ccc1I ZINC000782665108 657171384 /nfs/dbraw/zinc/17/13/84/657171384.db2.gz PXHPDAQYRFWPCC-UHFFFAOYSA-N 0 0 386.145 2.997 20 5 GFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)N1CCCCC1 ZINC000783359202 657226171 /nfs/dbraw/zinc/22/61/71/657226171.db2.gz YBEPVMREKVYWAO-JTQLQIEISA-N 0 0 385.214 2.915 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Oc1cc(Br)ccc1C(F)(F)F ZINC000784114762 657289589 /nfs/dbraw/zinc/28/95/89/657289589.db2.gz WUCYIUBQSPRSBW-UHFFFAOYSA-N 0 0 395.091 2.573 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000785395810 657359474 /nfs/dbraw/zinc/35/94/74/657359474.db2.gz CTEVEPWQFSPMMV-CYBMUJFWSA-N 0 0 392.767 2.538 20 5 GFBDRN 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Cc1cnn([C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)C2)c1 ZINC000289518189 563677047 /nfs/dbraw/zinc/67/70/47/563677047.db2.gz MGDGUVLLNWGWDJ-GFCCVEGCSA-N 0 0 384.845 2.697 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000413085287 563681514 /nfs/dbraw/zinc/68/15/14/563681514.db2.gz BEPXZRJLJJVCFI-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN CS(=O)(=O)C1(c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)CC1 ZINC000351114487 563681805 /nfs/dbraw/zinc/68/18/05/563681805.db2.gz LWPADRFIHSZFMZ-UHFFFAOYSA-N 0 0 377.300 2.697 20 5 GFBDRN C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000289713812 563684303 /nfs/dbraw/zinc/68/43/03/563684303.db2.gz PDGIOXWXGHWGRF-VIFPVBQESA-N 0 0 375.834 2.678 20 5 GFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CCO)c(Cl)cc1Cl ZINC000289736995 563684857 /nfs/dbraw/zinc/68/48/57/563684857.db2.gz FOURQKXKXRRIGY-KWQFWETISA-N 0 0 383.253 2.731 20 5 GFBDRN Cc1nc(N[C@@H]2CCO[C@H]2c2cncc(Br)c2)ncc1[N+](=O)[O-] ZINC000413476898 563693924 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ZINC000365199700 563776979 /nfs/dbraw/zinc/77/69/79/563776979.db2.gz GYHMOIDTJICVRZ-UHFFFAOYSA-N 0 0 382.467 2.555 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC(F)(F)C2)cc1Br ZINC000292190448 563778090 /nfs/dbraw/zinc/77/80/90/563778090.db2.gz FYVYAYCCKHNVHV-UHFFFAOYSA-N 0 0 385.186 2.681 20 5 GFBDRN CSC[C@@H]1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000292281441 563780772 /nfs/dbraw/zinc/78/07/72/563780772.db2.gz LNIXQDBLFGOAHE-LLVKDONJSA-N 0 0 385.873 2.580 20 5 GFBDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000292285832 563781613 /nfs/dbraw/zinc/78/16/13/563781613.db2.gz LZXXOTHBBXJLNN-ZDUSSCGKSA-N 0 0 389.861 2.781 20 5 GFBDRN O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)CCC1CCOCC1 ZINC000292458284 563787076 /nfs/dbraw/zinc/78/70/76/563787076.db2.gz OPVUIHNVHSRKFI-UHFFFAOYSA-N 0 0 394.243 2.883 20 5 GFBDRN O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1Br ZINC000365613675 563789069 /nfs/dbraw/zinc/78/90/69/563789069.db2.gz RORJUHIENOMNOE-XHDPSFHLSA-N 0 0 393.193 2.582 20 5 GFBDRN COC(=O)c1ccsc1N1CC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1=O ZINC000366440688 563808361 /nfs/dbraw/zinc/80/83/61/563808361.db2.gz VXJUZVOXGJHBOX-NSHDSACASA-N 0 0 379.419 2.736 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000416364954 563817364 /nfs/dbraw/zinc/81/73/64/563817364.db2.gz ACGQTUUTGONFFY-JTQLQIEISA-N 0 0 384.435 2.825 20 5 GFBDRN CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000416366941 563818412 /nfs/dbraw/zinc/81/84/12/563818412.db2.gz DKFGPXCJJYNRSK-LBPRGKRZSA-N 0 0 384.435 2.873 20 5 GFBDRN CS(=O)(=O)CC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293562475 563818894 /nfs/dbraw/zinc/81/88/94/563818894.db2.gz MFXYNFUCLHZDOG-UHFFFAOYSA-N 0 0 380.388 2.870 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CCOCC3)c(C(F)(F)F)c1 ZINC000366798969 563820366 /nfs/dbraw/zinc/82/03/66/563820366.db2.gz SVJWVLIJCFLQCP-UHFFFAOYSA-N 0 0 380.344 2.557 20 5 GFBDRN C[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416394783 563822519 /nfs/dbraw/zinc/82/25/19/563822519.db2.gz ZLKFYZROBGVSBN-GXSJLCMTSA-N 0 0 382.360 2.850 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)NC(C)(C)c2cccs2)cc1[N+](=O)[O-] ZINC000416396920 563823013 /nfs/dbraw/zinc/82/30/13/563823013.db2.gz GFZIJYIUWAHTED-UHFFFAOYSA-N 0 0 384.435 2.657 20 5 GFBDRN C[C@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000416431235 563827893 /nfs/dbraw/zinc/82/78/93/563827893.db2.gz GZHQTZADOWTQEB-SECBINFHSA-N 0 0 382.360 2.802 20 5 GFBDRN CCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000416438845 563828295 /nfs/dbraw/zinc/82/82/95/563828295.db2.gz KRXMNJYEDDGVOH-UHFFFAOYSA-N 0 0 382.360 2.851 20 5 GFBDRN CC(C)(NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000294067116 563830822 /nfs/dbraw/zinc/83/08/22/563830822.db2.gz KNKLFEFLYVWSKS-UHFFFAOYSA-N 0 0 394.225 2.571 20 5 GFBDRN CO[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000416474376 563835138 /nfs/dbraw/zinc/83/51/38/563835138.db2.gz QWIVKKSRJKDPAG-JOYOIKCWSA-N 0 0 382.360 2.659 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c(C)cc1[N+](=O)[O-] ZINC000416485029 563836624 /nfs/dbraw/zinc/83/66/24/563836624.db2.gz YKCVOAFJNPKJPC-CYBMUJFWSA-N 0 0 384.845 2.697 20 5 GFBDRN CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000416496117 563838776 /nfs/dbraw/zinc/83/87/76/563838776.db2.gz OMMFLPJTJIKOCW-CABZTGNLSA-N 0 0 382.360 2.659 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000367368470 563842183 /nfs/dbraw/zinc/84/21/83/563842183.db2.gz TZKKZCPKTMEENG-VIFPVBQESA-N 0 0 379.214 2.676 20 5 GFBDRN O=C(Nc1nc(Sc2ccccc2)ns1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445179698 563845115 /nfs/dbraw/zinc/84/51/15/563845115.db2.gz KXJQYEYOEJLCNM-UHFFFAOYSA-N 0 0 375.391 2.950 20 5 GFBDRN CC(C)(CCC(=O)NCCC(=O)Nc1ccc(Br)cc1)[N+](=O)[O-] ZINC000294636799 563849321 /nfs/dbraw/zinc/84/93/21/563849321.db2.gz YYRBQCNLRUVNIO-UHFFFAOYSA-N 0 0 386.246 2.729 20 5 GFBDRN Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)ccc1=O ZINC000445622375 563851576 /nfs/dbraw/zinc/85/15/76/563851576.db2.gz ZWDDDOCHPNZDPR-UHFFFAOYSA-N 0 0 377.154 2.773 20 5 GFBDRN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CS1 ZINC000416601798 563851852 /nfs/dbraw/zinc/85/18/52/563851852.db2.gz WMHJTLFHCOYLFO-VXNVDRBHSA-N 0 0 381.273 2.530 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000368191209 563866215 /nfs/dbraw/zinc/86/62/15/563866215.db2.gz YTJNSXDXJZJQGA-LRDDRELGSA-N 0 0 386.857 2.795 20 5 GFBDRN CC(C)c1nc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)no1 ZINC000368319491 563868322 /nfs/dbraw/zinc/86/83/22/563868322.db2.gz XNDQFKKPGKAKGA-UHFFFAOYSA-N 0 0 386.455 2.731 20 5 GFBDRN Cn1ccc(N2CC[C@H](Sc3ccc(Br)cc3[N+](=O)[O-])C2=O)n1 ZINC000368548783 563874230 /nfs/dbraw/zinc/87/42/30/563874230.db2.gz LOKKSXNKQUVOLX-LBPRGKRZSA-N 0 0 397.254 2.988 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447931290 563891255 /nfs/dbraw/zinc/89/12/55/563891255.db2.gz XLALDWBHIZTWAH-UHFFFAOYSA-N 0 0 391.858 2.542 20 5 GFBDRN CCc1[nH][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1Br ZINC000448316529 563896172 /nfs/dbraw/zinc/89/61/72/563896172.db2.gz WFSFAWPOYVATBI-UHFFFAOYSA-N 0 0 390.197 2.865 20 5 GFBDRN O=C(NCC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1I ZINC000471266686 564190444 /nfs/dbraw/zinc/19/04/44/564190444.db2.gz ODSDDPQNODTSLY-UHFFFAOYSA-N 0 0 396.131 2.975 20 5 GFBDRN O=C(NCCCCn1cc(Br)cn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000471680261 564202050 /nfs/dbraw/zinc/20/20/50/564202050.db2.gz SPTXKLGLITZVOK-UHFFFAOYSA-N 0 0 396.245 2.833 20 5 GFBDRN CCN(CCCn1cc(Br)c(=O)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000472208001 564216188 /nfs/dbraw/zinc/21/61/88/564216188.db2.gz QTDXXBLBAFVOBN-UHFFFAOYSA-N 0 0 386.168 2.793 20 5 GFBDRN CC(C)(O)[C@@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387823 564232038 /nfs/dbraw/zinc/23/20/38/564232038.db2.gz QGCFUVNXIFHTMU-ZDUSSCGKSA-N 0 0 390.221 2.935 20 5 GFBDRN O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000507601943 564234127 /nfs/dbraw/zinc/23/41/27/564234127.db2.gz MUUSYXPQSAPEBF-SNVBAGLBSA-N 0 0 375.284 2.813 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000450865089 564252006 /nfs/dbraw/zinc/25/20/06/564252006.db2.gz RRWHVWKFBRRUPF-GXFFZTMASA-N 0 0 383.451 2.636 20 5 GFBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)c1cccs1 ZINC000541328951 564275385 /nfs/dbraw/zinc/27/53/85/564275385.db2.gz WVUQICUSULZYSZ-UHFFFAOYSA-N 0 0 384.435 2.657 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000565415305 564279939 /nfs/dbraw/zinc/27/99/39/564279939.db2.gz KOZXXURRDZPKLY-NWDGAFQWSA-N 0 0 379.214 2.860 20 5 GFBDRN Cc1ccc(CSCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000541836029 564291727 /nfs/dbraw/zinc/29/17/27/564291727.db2.gz NZUZYNZCZDMEDX-UHFFFAOYSA-N 0 0 381.479 2.896 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N3C[C@@H](C)[C@H](O)C3)cc2[N+](=O)[O-])n1 ZINC000509312303 564293080 /nfs/dbraw/zinc/29/30/80/564293080.db2.gz ZUXBKLXFKHGXFF-NOZJJQNGSA-N 0 0 379.463 2.964 20 5 GFBDRN O=C(NCC1(C2CC2)CCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000565966332 564304424 /nfs/dbraw/zinc/30/44/24/564304424.db2.gz WJPXBMHHDAGQIZ-UHFFFAOYSA-N 0 0 396.241 2.992 20 5 GFBDRN CC(C)N1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000542220225 564304644 /nfs/dbraw/zinc/30/46/44/564304644.db2.gz XXIMUGKXGMNWLI-UHFFFAOYSA-N 0 0 388.496 2.680 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](CO)c1cccc(Cl)c1F ZINC000542691299 564321167 /nfs/dbraw/zinc/32/11/67/564321167.db2.gz VLSOVKZOHRHIGY-CYBMUJFWSA-N 0 0 388.804 2.540 20 5 GFBDRN O=C(Cc1ccc(Br)cc1)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000475890639 564323622 /nfs/dbraw/zinc/32/36/22/564323622.db2.gz CCHYVWBUKOHPNM-UHFFFAOYSA-N 0 0 385.601 2.984 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(=O)Nc2ccc(Br)cn2)n1 ZINC000542865159 564329567 /nfs/dbraw/zinc/32/95/67/564329567.db2.gz VAXWEASGWQNVGB-UHFFFAOYSA-N 0 0 394.229 2.839 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000510387451 564332035 /nfs/dbraw/zinc/33/20/35/564332035.db2.gz WQTMKMRIABIWPT-AWEZNQCLSA-N 0 0 384.845 2.720 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000543145344 564339408 /nfs/dbraw/zinc/33/94/08/564339408.db2.gz CFCLZAGDZLLNMV-GXSJLCMTSA-N 0 0 386.246 2.522 20 5 GFBDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543289252 564345816 /nfs/dbraw/zinc/34/58/16/564345816.db2.gz VTBVSNDKMOMTHN-JTQLQIEISA-N 0 0 394.902 2.622 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000476653822 564350200 /nfs/dbraw/zinc/35/02/00/564350200.db2.gz GNXXEWQMYGRZSK-UHFFFAOYSA-N 0 0 399.632 2.943 20 5 GFBDRN CC(C)[C@H]1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000451824836 564355864 /nfs/dbraw/zinc/35/58/64/564355864.db2.gz PPPRHLGUANSLEA-BXUZGUMPSA-N 0 0 376.862 2.978 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCSC[C@H]1CCO ZINC000544268991 564381333 /nfs/dbraw/zinc/38/13/33/564381333.db2.gz OPGLHGRXPXSOLE-LLVKDONJSA-N 0 0 376.887 2.667 20 5 GFBDRN Cc1csc([C@@H](C)CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])n1 ZINC000544446571 564385620 /nfs/dbraw/zinc/38/56/20/564385620.db2.gz MYKBOJFYIJFWNE-JTQLQIEISA-N 0 0 384.483 2.826 20 5 GFBDRN COC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452096021 564391391 /nfs/dbraw/zinc/39/13/91/564391391.db2.gz LOGBIQQQSUNRKI-NSHDSACASA-N 0 0 393.259 2.547 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1Cc1nc(Cc2ccccc2Br)no1 ZINC000544966412 564405774 /nfs/dbraw/zinc/40/57/74/564405774.db2.gz QIOLHEQASMKWSC-UHFFFAOYSA-N 0 0 391.181 2.541 20 5 GFBDRN CCC1(CC)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000479069116 564424134 /nfs/dbraw/zinc/42/41/34/564424134.db2.gz HKCQXBMOPUBGFI-UHFFFAOYSA-N 0 0 384.230 2.944 20 5 GFBDRN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCO[C@@]2(CCSC2)C1 ZINC000568631295 564427697 /nfs/dbraw/zinc/42/76/97/564427697.db2.gz YCMAILWFUBTKMX-AWEZNQCLSA-N 0 0 376.356 2.962 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000568710234 564430836 /nfs/dbraw/zinc/43/08/36/564430836.db2.gz HOLNLTJXRBIHDE-UHFFFAOYSA-N 0 0 388.199 2.567 20 5 GFBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccc(Br)cn1 ZINC000545914998 564437643 /nfs/dbraw/zinc/43/76/43/564437643.db2.gz XIGYMYKWOVMGTL-UHFFFAOYSA-N 0 0 377.154 2.617 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000568887049 564440063 /nfs/dbraw/zinc/44/00/63/564440063.db2.gz VQZKYSLDKCFFHI-CQSZACIVSA-N 0 0 387.255 2.705 20 5 GFBDRN COc1ccccc1OC[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479486240 564441497 /nfs/dbraw/zinc/44/14/97/564441497.db2.gz MJBQITGFLGFFBZ-LLVKDONJSA-N 0 0 386.451 2.658 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000569045771 564446215 /nfs/dbraw/zinc/44/62/15/564446215.db2.gz CXNMENAXBDHICJ-RNCFNFMXSA-N 0 0 393.259 2.512 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1CS2 ZINC000514584915 564449479 /nfs/dbraw/zinc/44/94/79/564449479.db2.gz AEBDMSMIABVUIP-QWRGUYRKSA-N 0 0 390.202 2.529 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000480299773 564467964 /nfs/dbraw/zinc/46/79/64/564467964.db2.gz FNYWJQXJMULKQV-GXSJLCMTSA-N 0 0 381.376 2.670 20 5 GFBDRN CNS(=O)(=O)c1ccc(N(C)Cc2ccccc2SC)c([N+](=O)[O-])c1 ZINC000480554537 564477442 /nfs/dbraw/zinc/47/74/42/564477442.db2.gz NLODGYVWJRCWID-UHFFFAOYSA-N 0 0 381.479 2.861 20 5 GFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1nc(C2CC2)ncc1Br ZINC000570142966 564493683 /nfs/dbraw/zinc/49/36/83/564493683.db2.gz RPYLLPMMOXGPSI-UHFFFAOYSA-N 0 0 377.198 2.955 20 5 GFBDRN Nc1nccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c1[N+](=O)[O-] ZINC000547761768 564509589 /nfs/dbraw/zinc/50/95/89/564509589.db2.gz PSPFPIUIEYEEBO-UHFFFAOYSA-N 0 0 395.188 2.502 20 5 GFBDRN C[C@H](Cc1ccc(Br)cc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000570893366 564526487 /nfs/dbraw/zinc/52/64/87/564526487.db2.gz HDPBKDJXNNYATN-SECBINFHSA-N 0 0 379.214 2.894 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000481867821 564527161 /nfs/dbraw/zinc/52/71/61/564527161.db2.gz PJRSDIBMTQWORD-UHFFFAOYSA-N 0 0 384.797 2.993 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(C(F)(F)F)n1 ZINC000548057768 564529528 /nfs/dbraw/zinc/52/95/28/564529528.db2.gz UNRCERZABGTYDK-SSDOTTSWSA-N 0 0 376.316 2.794 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCOc1ccc(F)c(F)c1 ZINC000518051764 564544907 /nfs/dbraw/zinc/54/49/07/564544907.db2.gz GKSWYCKLMMINJG-UHFFFAOYSA-N 0 0 392.767 2.884 20 5 GFBDRN Cc1cc(Br)c(O)c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000482671898 564548374 /nfs/dbraw/zinc/54/83/74/564548374.db2.gz KDHCPFBKWHJIKC-UHFFFAOYSA-N 0 0 383.202 2.942 20 5 GFBDRN Cc1nccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1Br ZINC000548395800 564550899 /nfs/dbraw/zinc/55/08/99/564550899.db2.gz RHOLCANGHYJRCC-UHFFFAOYSA-N 0 0 379.214 2.847 20 5 GFBDRN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000482995249 564555448 /nfs/dbraw/zinc/55/54/48/564555448.db2.gz XEJQWSXFMWAWGP-VIFPVBQESA-N 0 0 379.214 2.702 20 5 GFBDRN O=C(Cc1ccccc1[N+](=O)[O-])N(CCO)Cc1ccc(Br)s1 ZINC000482997668 564555667 /nfs/dbraw/zinc/55/56/67/564555667.db2.gz QPHUHFYEKCRTTO-UHFFFAOYSA-N 0 0 399.266 2.982 20 5 GFBDRN C[C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1nncn1C ZINC000571548054 564556083 /nfs/dbraw/zinc/55/60/83/564556083.db2.gz HPZNWJZRAHFNOJ-VIFPVBQESA-N 0 0 391.229 2.672 20 5 GFBDRN C[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1nncn1C ZINC000571548049 564556424 /nfs/dbraw/zinc/55/64/24/564556424.db2.gz HPZNWJZRAHFNOJ-SECBINFHSA-N 0 0 391.229 2.672 20 5 GFBDRN CNc1nc(C(=O)N2CCc3cccc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000455760221 564569865 /nfs/dbraw/zinc/56/98/65/564569865.db2.gz XMFLKCHGPAMEEV-UHFFFAOYSA-N 0 0 391.225 2.993 20 5 GFBDRN CN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548715131 564571193 /nfs/dbraw/zinc/57/11/93/564571193.db2.gz WOPGVMGHWMVWDT-UHFFFAOYSA-N 0 0 383.177 2.576 20 5 GFBDRN O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H](n2cccn2)C1 ZINC000549200625 564588129 /nfs/dbraw/zinc/58/81/29/564588129.db2.gz HJARFNANEULLIF-LLVKDONJSA-N 0 0 384.177 2.847 20 5 GFBDRN CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000456188643 564592727 /nfs/dbraw/zinc/59/27/27/564592727.db2.gz JAVIIQOCTZAFKO-CYBMUJFWSA-N 0 0 382.463 2.849 20 5 GFBDRN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412035 564593524 /nfs/dbraw/zinc/59/35/24/564593524.db2.gz PGRIIRDRHJDLGL-MFKMUULPSA-N 0 0 390.221 2.935 20 5 GFBDRN Cc1cc(NC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549466864 564595638 /nfs/dbraw/zinc/59/56/38/564595638.db2.gz IPCBKNULUUZRGY-UHFFFAOYSA-N 0 0 381.376 2.758 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000484777718 564597679 /nfs/dbraw/zinc/59/76/79/564597679.db2.gz APGHDBMUEIOGFP-VIFPVBQESA-N 0 0 395.300 2.840 20 5 GFBDRN CC(=O)c1ccc(NCCNS(=O)(=O)c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000484902740 564601266 /nfs/dbraw/zinc/60/12/66/564601266.db2.gz BPHBWEZEBUIKSR-UHFFFAOYSA-N 0 0 383.451 2.558 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456348520 564601621 /nfs/dbraw/zinc/60/16/21/564601621.db2.gz ZHVAUUNPUDOXFL-NQBHXWOUSA-N 0 0 383.242 2.980 20 5 GFBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[C@@H]1CF ZINC000572634032 564603061 /nfs/dbraw/zinc/60/30/61/564603061.db2.gz FXXCZQDINJOQQO-SNVBAGLBSA-N 0 0 378.141 2.774 20 5 GFBDRN CC(=O)c1ccc(NCCN(C)S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000484988292 564603848 /nfs/dbraw/zinc/60/38/48/564603848.db2.gz MYMMLCFJONXLDA-UHFFFAOYSA-N 0 0 383.451 2.592 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456678380 564624714 /nfs/dbraw/zinc/62/47/14/564624714.db2.gz WOQCFIYCLLJQHV-CWSCBRNRSA-N 0 0 378.372 2.847 20 5 GFBDRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456714238 564627108 /nfs/dbraw/zinc/62/71/08/564627108.db2.gz JGPMWEYXRQDBOJ-NSHDSACASA-N 0 0 396.241 2.575 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC000551467672 564650955 /nfs/dbraw/zinc/65/09/55/564650955.db2.gz MTGYOTHJABGZCC-UHFFFAOYSA-N 0 0 390.193 2.885 20 5 GFBDRN COc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000522589613 564652860 /nfs/dbraw/zinc/65/28/60/564652860.db2.gz DNPTWTARQWNDMH-UHFFFAOYSA-N 0 0 399.144 2.855 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000457321478 564655869 /nfs/dbraw/zinc/65/58/69/564655869.db2.gz CMBSOCBPXBTVTA-LBPRGKRZSA-N 0 0 394.229 2.946 20 5 GFBDRN CN(c1cccc(O)c1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000522957918 564659381 /nfs/dbraw/zinc/65/93/81/564659381.db2.gz ZYQPTLHMLJWQBQ-UHFFFAOYSA-N 0 0 387.211 2.888 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000486735794 564664711 /nfs/dbraw/zinc/66/47/11/564664711.db2.gz PSZLMCRPRDAOQA-MRVPVSSYSA-N 0 0 381.186 2.647 20 5 GFBDRN O=C(c1cc(Br)co1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457590549 564666324 /nfs/dbraw/zinc/66/63/24/564666324.db2.gz HFXJZLSEGIXKRZ-SNVBAGLBSA-N 0 0 381.186 2.672 20 5 GFBDRN O=C(c1cc(Br)co1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457590529 564666571 /nfs/dbraw/zinc/66/65/71/564666571.db2.gz HFXJZLSEGIXKRZ-JTQLQIEISA-N 0 0 381.186 2.672 20 5 GFBDRN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000523914724 564674755 /nfs/dbraw/zinc/67/47/55/564674755.db2.gz LNMFUTKQLMBXMY-UHFFFAOYSA-N 0 0 395.213 2.752 20 5 GFBDRN Cc1nc2sccn2c1CN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524654107 564684455 /nfs/dbraw/zinc/68/44/55/564684455.db2.gz WJAWHVUWNNMNQP-UHFFFAOYSA-N 0 0 380.451 2.742 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCOC[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000487374736 564685278 /nfs/dbraw/zinc/68/52/78/564685278.db2.gz IWUDSLPKLVAAGH-INIZCTEOSA-N 0 0 382.463 2.901 20 5 GFBDRN NS(=O)(=O)c1ccc(NC[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000487664626 564693562 /nfs/dbraw/zinc/69/35/62/564693562.db2.gz GJAOJZYFCZTUIF-INIZCTEOSA-N 0 0 379.463 2.685 20 5 GFBDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525703120 564706667 /nfs/dbraw/zinc/70/66/67/564706667.db2.gz NQVPCCMXZSTHAA-YGRLFVJLSA-N 0 0 385.829 2.698 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])c1 ZINC000576505920 564714554 /nfs/dbraw/zinc/71/45/54/564714554.db2.gz NOSLYZPRSZZOFY-INIZCTEOSA-N 0 0 382.463 2.731 20 5 GFBDRN Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1Br ZINC000553311755 564715615 /nfs/dbraw/zinc/71/56/15/564715615.db2.gz JURHFRYTSFCJFD-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN CC(C)(C)[C@@H](NC(=O)CSc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000577124518 564726303 /nfs/dbraw/zinc/72/63/03/564726303.db2.gz DNZWCJBHYFRRST-LBPRGKRZSA-N 0 0 381.483 2.855 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000553693843 564732752 /nfs/dbraw/zinc/73/27/52/564732752.db2.gz FPAHCKSZLGBVLK-CQSZACIVSA-N 0 0 393.237 2.999 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000489629134 564746380 /nfs/dbraw/zinc/74/63/80/564746380.db2.gz AUGYJXMRXNBUGY-UHFFFAOYSA-N 0 0 397.762 2.531 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CSc2ccc(Br)cc21 ZINC000489654385 564747462 /nfs/dbraw/zinc/74/74/62/564747462.db2.gz ZAANEYIWJJIISJ-JTQLQIEISA-N 0 0 383.227 2.517 20 5 GFBDRN C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000459551756 564750671 /nfs/dbraw/zinc/75/06/71/564750671.db2.gz OXOFQDDKNHJJKS-AUADJRAKSA-N 0 0 390.259 2.732 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CCn2ccnc2C1 ZINC000489940079 564758279 /nfs/dbraw/zinc/75/82/79/564758279.db2.gz RHXSNHWVRZPMRM-NSHDSACASA-N 0 0 388.225 2.951 20 5 GFBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1cccc(Br)c1 ZINC000490169124 564765539 /nfs/dbraw/zinc/76/55/39/564765539.db2.gz DHOCQYMFFXPNGN-UHFFFAOYSA-N 0 0 394.225 2.695 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000490441924 564771840 /nfs/dbraw/zinc/77/18/40/564771840.db2.gz YVFOVWNGQCPHCL-GFCCVEGCSA-N 0 0 382.360 2.634 20 5 GFBDRN COc1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000460275845 564773058 /nfs/dbraw/zinc/77/30/58/564773058.db2.gz MWLCZIHIFKSTCJ-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN Cc1ccc(S(=O)(=O)NC2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000555140130 564784509 /nfs/dbraw/zinc/78/45/09/564784509.db2.gz WZVZHVJHTFYKCO-UHFFFAOYSA-N 0 0 381.841 2.724 20 5 GFBDRN O=C(N[C@@H]1CC[S@@](=O)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000491092375 564786352 /nfs/dbraw/zinc/78/63/52/564786352.db2.gz MHHZPVIQTLPYRB-XELLLNAOSA-N 0 0 376.459 2.997 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000581565999 564808162 /nfs/dbraw/zinc/80/81/62/564808162.db2.gz QLIQQZAGUVMADS-DTWKUNHWSA-N 0 0 381.223 2.835 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000581566000 564808272 /nfs/dbraw/zinc/80/82/72/564808272.db2.gz QLIQQZAGUVMADS-IUCAKERBSA-N 0 0 381.223 2.835 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)n1 ZINC000556395906 564823675 /nfs/dbraw/zinc/82/36/75/564823675.db2.gz HPKHVCYGBWTQTP-UHFFFAOYSA-N 0 0 388.808 2.610 20 5 GFBDRN COCc1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)OC ZINC000556496034 564827956 /nfs/dbraw/zinc/82/79/56/564827956.db2.gz XTBYPJWLRPXAGY-UHFFFAOYSA-N 0 0 385.785 2.890 20 5 GFBDRN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556562189 564830993 /nfs/dbraw/zinc/83/09/93/564830993.db2.gz GEWONRFPFLEGCR-SKDRFNHKSA-N 0 0 384.230 2.943 20 5 GFBDRN O=C(NCCOC[C@H]1CCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556739921 564838409 /nfs/dbraw/zinc/83/84/09/564838409.db2.gz WIBKVWMIDHWFDP-CYBMUJFWSA-N 0 0 388.218 2.674 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000462569263 564848075 /nfs/dbraw/zinc/84/80/75/564848075.db2.gz GUCDBAFKYQLBHO-YMTOWFKASA-N 0 0 392.861 2.813 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CC ZINC000462573801 564849587 /nfs/dbraw/zinc/84/95/87/564849587.db2.gz BDAOUERSMORSEM-NOZJJQNGSA-N 0 0 378.834 2.504 20 5 GFBDRN O=C(NCC1CC(F)(F)C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000557055474 564852557 /nfs/dbraw/zinc/85/25/57/564852557.db2.gz VGDFDNKALJTDPO-UHFFFAOYSA-N 0 0 396.131 2.975 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H](CO)c1ccc(F)cc1 ZINC000557111447 564854264 /nfs/dbraw/zinc/85/42/64/564854264.db2.gz HNCZCXGTMCSKTA-OAHLLOKOSA-N 0 0 397.200 2.889 20 5 GFBDRN CN(CCc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000462849647 564860737 /nfs/dbraw/zinc/86/07/37/564860737.db2.gz FHCIUUCKLGJBKH-UHFFFAOYSA-N 0 0 379.214 2.649 20 5 GFBDRN C[C@H]1C[C@@H]1CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000463070443 564868854 /nfs/dbraw/zinc/86/88/54/564868854.db2.gz OLOVFWRZQPKXEJ-VHSXEESVSA-N 0 0 381.435 2.869 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000557640155 564870834 /nfs/dbraw/zinc/87/08/34/564870834.db2.gz QAWFIXJRAZHTJF-UHFFFAOYSA-N 0 0 379.822 2.839 20 5 GFBDRN CCn1cc(Br)c(=O)c(NC(=O)c2cccc([N+](=O)[O-])c2NC)c1 ZINC000463139729 564870981 /nfs/dbraw/zinc/87/09/81/564870981.db2.gz FIYNKGPEGKHQJU-UHFFFAOYSA-N 0 0 395.213 2.833 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497555311 564871281 /nfs/dbraw/zinc/87/12/81/564871281.db2.gz VXPTWDTVZDQXFZ-UHFFFAOYSA-N 0 0 384.267 3.000 20 5 GFBDRN C[C@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000557734278 564874271 /nfs/dbraw/zinc/87/42/71/564874271.db2.gz LTIUVCXXTQSIMZ-SWLSCSKDSA-N 0 0 385.511 2.933 20 5 GFBDRN CN(C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530617827 564889513 /nfs/dbraw/zinc/88/95/13/564889513.db2.gz IKANAKFKHHAEDT-OAHLLOKOSA-N 0 0 383.857 2.829 20 5 GFBDRN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1c(F)cccc1Cl)CCO2 ZINC000583410582 564890228 /nfs/dbraw/zinc/89/02/28/564890228.db2.gz VKGCTGBFHUTWMM-UHFFFAOYSA-N 0 0 386.788 2.971 20 5 GFBDRN Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000463799127 564890900 /nfs/dbraw/zinc/89/09/00/564890900.db2.gz VYTCHHIPSYJPCX-UHFFFAOYSA-N 0 0 383.191 2.860 20 5 GFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000558578147 564907002 /nfs/dbraw/zinc/90/70/02/564907002.db2.gz UOOOZCPIPXNLDY-NSHDSACASA-N 0 0 384.161 2.698 20 5 GFBDRN COc1ccc(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000464431331 564907554 /nfs/dbraw/zinc/90/75/54/564907554.db2.gz WLLIHBLAURESJU-UHFFFAOYSA-N 0 0 380.198 2.966 20 5 GFBDRN NC(=O)c1ccnc(N[C@H]2C[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000558593715 564907757 /nfs/dbraw/zinc/90/77/57/564907757.db2.gz YITGSGKXHMCWDY-NEPJUHHUSA-N 0 0 377.198 2.819 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000558781076 564914329 /nfs/dbraw/zinc/91/43/29/564914329.db2.gz NGGUWLSMLBXVGL-NSHDSACASA-N 0 0 395.300 2.838 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(C)OCCc2sccc21 ZINC000583963776 564914485 /nfs/dbraw/zinc/91/44/85/564914485.db2.gz BGPYERBDGMAWGV-INIZCTEOSA-N 0 0 382.463 2.731 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000531656907 564917039 /nfs/dbraw/zinc/91/70/39/564917039.db2.gz RNFKPWCEDHAWDA-KGLIPLIRSA-N 0 0 385.262 2.808 20 5 GFBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000531656901 564917076 /nfs/dbraw/zinc/91/70/76/564917076.db2.gz RNFKPWCEDHAWDA-KBPBESRZSA-N 0 0 385.262 2.808 20 5 GFBDRN O=C(CN1CCC2(C1)CCOCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464814139 564919609 /nfs/dbraw/zinc/91/96/09/564919609.db2.gz OVJPHQLLCPFOCO-UHFFFAOYSA-N 0 0 398.257 2.798 20 5 GFBDRN Cc1ccc(I)c(Oc2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC000584145822 564922362 /nfs/dbraw/zinc/92/23/62/564922362.db2.gz SXFFNEDKXRYYGN-UHFFFAOYSA-N 0 0 399.144 2.794 20 5 GFBDRN COC(=O)c1ccc(CCNc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000500250010 564949114 /nfs/dbraw/zinc/94/91/14/564949114.db2.gz AVDXRGXHKZLJQQ-UHFFFAOYSA-N 0 0 380.198 2.615 20 5 GFBDRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000500251270 564949179 /nfs/dbraw/zinc/94/91/79/564949179.db2.gz KDUUUOLUQZFZCA-UHFFFAOYSA-N 0 0 395.213 2.752 20 5 GFBDRN CNS(=O)(=O)c1ccc(NCCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000500415692 564952579 /nfs/dbraw/zinc/95/25/79/564952579.db2.gz RFDTYBDDJLRUHL-UHFFFAOYSA-N 0 0 387.820 2.950 20 5 GFBDRN COc1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533101880 564955047 /nfs/dbraw/zinc/95/50/47/564955047.db2.gz ITCIZLWBUKDPNS-UHFFFAOYSA-N 0 0 391.858 2.709 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000467079031 564955368 /nfs/dbraw/zinc/95/53/68/564955368.db2.gz LQPPRPIMFSCTHD-MEBBXXQBSA-N 0 0 382.463 2.977 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@H](C)CC(N)=O)cc2[N+](=O)[O-])n1 ZINC000467378445 564961592 /nfs/dbraw/zinc/96/15/92/564961592.db2.gz RZAWPQKBBOROTM-MRVPVSSYSA-N 0 0 380.451 2.505 20 5 GFBDRN COCCN(CCc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467400070 564962669 /nfs/dbraw/zinc/96/26/69/564962669.db2.gz IQCGAMSPMARHPA-UHFFFAOYSA-N 0 0 384.479 2.845 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000467401996 564962688 /nfs/dbraw/zinc/96/26/88/564962688.db2.gz FHDDSXDTLHOKAJ-VXGBXAGGSA-N 0 0 392.524 2.640 20 5 GFBDRN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467587236 564967152 /nfs/dbraw/zinc/96/71/52/564967152.db2.gz JZSILZRHRALSND-UHFFFAOYSA-N 0 0 394.160 2.698 20 5 GFBDRN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501068194 564969159 /nfs/dbraw/zinc/96/91/59/564969159.db2.gz FLGYJYRKEHTFPL-LLVKDONJSA-N 0 0 399.245 2.880 20 5 GFBDRN O=C(NCc1nnc2ccccn21)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501110409 564970801 /nfs/dbraw/zinc/97/08/01/564970801.db2.gz KALOITQSJABBTI-UHFFFAOYSA-N 0 0 391.185 2.722 20 5 GFBDRN Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000501130772 564971501 /nfs/dbraw/zinc/97/15/01/564971501.db2.gz AGWYKZCTRIQUJQ-UONOGXRCSA-N 0 0 395.213 2.807 20 5 GFBDRN C[C@H](CC[S@@](C)=O)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501117488 564971654 /nfs/dbraw/zinc/97/16/54/564971654.db2.gz BHPRIQQDUBCHJJ-IJSAXESFSA-N 0 0 378.248 2.636 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1I ZINC000501260345 564975232 /nfs/dbraw/zinc/97/52/32/564975232.db2.gz WAOPROXKDFLAMT-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501282227 564975287 /nfs/dbraw/zinc/97/52/87/564975287.db2.gz HCZKGSMRJDTXII-VIFPVBQESA-N 0 0 384.230 2.991 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc(Br)cn2)c1 ZINC000560783494 564976211 /nfs/dbraw/zinc/97/62/11/564976211.db2.gz PZXBVNRSTHMUNT-UHFFFAOYSA-N 0 0 385.243 2.706 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1-n1cnnn1 ZINC000501299846 564976761 /nfs/dbraw/zinc/97/67/61/564976761.db2.gz CMMCJBRPCCKJRZ-UHFFFAOYSA-N 0 0 389.169 2.585 20 5 GFBDRN CC(C)CN1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000560796386 564976869 /nfs/dbraw/zinc/97/68/69/564976869.db2.gz GLHITIISVNTCNO-JTQLQIEISA-N 0 0 384.230 2.800 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534129816 564980649 /nfs/dbraw/zinc/98/06/49/564980649.db2.gz UEKUOPGZHOZVTE-NSHDSACASA-N 0 0 385.136 2.709 20 5 GFBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000561359913 564993208 /nfs/dbraw/zinc/99/32/08/564993208.db2.gz MUCJVTXYQQPOHR-NSHDSACASA-N 0 0 385.442 2.918 20 5 GFBDRN COc1cc(S(=O)(=O)NCc2cc(F)ccc2SC)ccc1[N+](=O)[O-] ZINC000468786390 564993721 /nfs/dbraw/zinc/99/37/21/564993721.db2.gz BYBMPOZAWALOEL-UHFFFAOYSA-N 0 0 386.426 2.943 20 5 GFBDRN Cc1ccc(Cl)c2sc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)nc21 ZINC000561510155 564997891 /nfs/dbraw/zinc/99/78/91/564997891.db2.gz IHWOJZIYXWKXTR-UHFFFAOYSA-N 0 0 378.797 2.967 20 5 GFBDRN Cn1c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1[N+](=O)[O-] ZINC000502798867 565005318 /nfs/dbraw/zinc/00/53/18/565005318.db2.gz DPIHWYJJCWYDOE-CQSZACIVSA-N 0 0 394.225 2.910 20 5 GFBDRN Cc1cc(NCc2n[nH]cc2Br)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535230295 565007887 /nfs/dbraw/zinc/00/78/87/565007887.db2.gz RAECZJVPLAWTRM-UHFFFAOYSA-N 0 0 389.213 2.880 20 5 GFBDRN COC(=O)c1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000562262221 565022164 /nfs/dbraw/zinc/02/21/64/565022164.db2.gz DTMHZZFZDCKNFU-UHFFFAOYSA-N 0 0 385.785 2.539 20 5 GFBDRN Cc1c(Br)cccc1CS(=O)(=O)Cc1c([N+](=O)[O-])ncn1C ZINC000536387506 565035895 /nfs/dbraw/zinc/03/58/95/565035895.db2.gz PTKBBFYDZNLYHZ-UHFFFAOYSA-N 0 0 388.243 2.514 20 5 GFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(O)c1 ZINC000536541384 565040026 /nfs/dbraw/zinc/04/00/26/565040026.db2.gz YCSKOWUBUQXLAO-UHFFFAOYSA-N 0 0 381.182 2.872 20 5 GFBDRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000470457896 565046925 /nfs/dbraw/zinc/04/69/25/565046925.db2.gz GKCCADNMXWFXRX-LLVKDONJSA-N 0 0 379.214 2.694 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)CC1 ZINC000584544307 565086889 /nfs/dbraw/zinc/08/68/89/565086889.db2.gz XAPWMVJSRNXFPV-UHFFFAOYSA-N 0 0 382.258 2.976 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000586772276 565115735 /nfs/dbraw/zinc/11/57/35/565115735.db2.gz RZDDRQHCVMMAOO-GXFFZTMASA-N 0 0 382.360 2.552 20 5 GFBDRN CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000614858346 565136502 /nfs/dbraw/zinc/13/65/02/565136502.db2.gz WWSXDXKPJHYKLV-NSHDSACASA-N 0 0 388.389 2.697 20 5 GFBDRN Nc1cc(N[C@H](CO)c2ccc(Br)cc2)cc(CO)c1[N+](=O)[O-] ZINC000589870729 565171985 /nfs/dbraw/zinc/17/19/85/565171985.db2.gz ALSQLGPNJYDBRF-CQSZACIVSA-N 0 0 382.214 2.577 20 5 GFBDRN O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCO[C@H]2C[C@H]21 ZINC000590429817 565188018 /nfs/dbraw/zinc/18/80/18/565188018.db2.gz MXPLQCKLWZQIIC-OLZOCXBDSA-N 0 0 383.191 2.701 20 5 GFBDRN CC1(C)CN(c2c(I)cncc2[N+](=O)[O-])CCCO1 ZINC000591365664 565227337 /nfs/dbraw/zinc/22/73/37/565227337.db2.gz BVGNAWMUTPYBBX-UHFFFAOYSA-N 0 0 377.182 2.600 20 5 GFBDRN CO[C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000591366486 565227376 /nfs/dbraw/zinc/22/73/76/565227376.db2.gz NPTBJROOCJFFDX-SECBINFHSA-N 0 0 377.182 2.600 20 5 GFBDRN NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000591887813 565242261 /nfs/dbraw/zinc/24/22/61/565242261.db2.gz XSDBNNBTBGJNJR-UHFFFAOYSA-N 0 0 387.211 2.584 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC000592107398 565257270 /nfs/dbraw/zinc/25/72/70/565257270.db2.gz CZNQDXHKCZWKHS-OPRDCNLKSA-N 0 0 375.244 2.824 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592109460 565257788 /nfs/dbraw/zinc/25/77/88/565257788.db2.gz BGYKFTOXVZAOID-KCJUWKMLSA-N 0 0 395.300 2.838 20 5 GFBDRN CC(C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000592875522 565303323 /nfs/dbraw/zinc/30/33/23/565303323.db2.gz RCUJJCCFOGOWNW-INIZCTEOSA-N 0 0 388.873 2.634 20 5 GFBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)F ZINC000619421702 565339839 /nfs/dbraw/zinc/33/98/39/565339839.db2.gz AUHWISKHCZSVLU-UHFFFAOYSA-N 0 0 384.120 2.973 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000619495969 565344950 /nfs/dbraw/zinc/34/49/50/565344950.db2.gz QJACRXQCBHNXFV-UWVGGRQHSA-N 0 0 382.360 2.955 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593642257 565351848 /nfs/dbraw/zinc/35/18/48/565351848.db2.gz LTWHPTBNIUCSIM-SKDRFNHKSA-N 0 0 393.259 2.545 20 5 GFBDRN COC(=O)CS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000594664966 565403873 /nfs/dbraw/zinc/40/38/73/565403873.db2.gz SQACPQAZBZRTRF-VIFPVBQESA-N 0 0 381.435 2.952 20 5 GFBDRN COC(=O)c1sc(C)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594697051 565408682 /nfs/dbraw/zinc/40/86/82/565408682.db2.gz NDMJTEIIYOFRAO-UHFFFAOYSA-N 0 0 384.435 2.736 20 5 GFBDRN CCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594790876 565421494 /nfs/dbraw/zinc/42/14/94/565421494.db2.gz AAVLENSHKIAIHZ-JTQLQIEISA-N 0 0 392.861 2.989 20 5 GFBDRN C[C@]1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594851761 565429523 /nfs/dbraw/zinc/42/95/23/565429523.db2.gz LRRWWBOPORVLMD-SNVBAGLBSA-N 0 0 385.186 2.681 20 5 GFBDRN CCSC1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000595348136 565465864 /nfs/dbraw/zinc/46/58/64/565465864.db2.gz ADOPFADUNGFQGE-UHFFFAOYSA-N 0 0 395.300 2.921 20 5 GFBDRN Cc1nnc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000595391166 565471861 /nfs/dbraw/zinc/47/18/61/565471861.db2.gz FQNZHYODUXMAJG-UHFFFAOYSA-N 0 0 396.372 2.594 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)c1 ZINC000595402009 565474477 /nfs/dbraw/zinc/47/44/77/565474477.db2.gz QVULZDZETKWNAU-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@@]12COC[C@@H]1CN(Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758944 565491332 /nfs/dbraw/zinc/49/13/32/565491332.db2.gz NNFVIEKHNODXBU-SMDDNHRTSA-N 0 0 388.205 2.668 20 5 GFBDRN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595914475 565498364 /nfs/dbraw/zinc/49/83/64/565498364.db2.gz HKIVATIXAJEOQK-VFZGTOFNSA-N 0 0 377.775 2.931 20 5 GFBDRN COc1cc(NC[C@@]2(N3CCOCC3)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000596086765 565513303 /nfs/dbraw/zinc/51/33/03/565513303.db2.gz BIFSGKOVPRDLFR-INIZCTEOSA-N 0 0 387.889 2.877 20 5 GFBDRN O=c1[nH]ccc(NC[C@@H](CO)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000596210161 565515262 /nfs/dbraw/zinc/51/52/62/565515262.db2.gz KSVFNVVFBBFLBC-NSHDSACASA-N 0 0 382.214 2.721 20 5 GFBDRN C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000596468700 565525293 /nfs/dbraw/zinc/52/52/93/565525293.db2.gz GTEBRKSEMKWTID-IUCAKERBSA-N 0 0 376.194 2.653 20 5 GFBDRN CCn1cc(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)nn1 ZINC000596888345 565539834 /nfs/dbraw/zinc/53/98/34/565539834.db2.gz OITKLYKBKPJVIH-UHFFFAOYSA-N 0 0 383.206 2.599 20 5 GFBDRN Cn1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nnc1C1CC1 ZINC000597898938 565580299 /nfs/dbraw/zinc/58/02/99/565580299.db2.gz SNNDJDLBCQQBLP-UHFFFAOYSA-N 0 0 380.202 2.544 20 5 GFBDRN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000597922795 565581864 /nfs/dbraw/zinc/58/18/64/565581864.db2.gz MTXSMZYKVBWTKA-CQSZACIVSA-N 0 0 387.230 2.529 20 5 GFBDRN Cc1n[nH]c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000597996211 565587216 /nfs/dbraw/zinc/58/72/16/565587216.db2.gz ZMVYACCHQNELFP-UHFFFAOYSA-N 0 0 384.223 2.896 20 5 GFBDRN O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598208046 565602338 /nfs/dbraw/zinc/60/23/38/565602338.db2.gz DSBGNZQRSXLWKC-UHFFFAOYSA-N 0 0 379.214 2.833 20 5 GFBDRN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598427090 565616834 /nfs/dbraw/zinc/61/68/34/565616834.db2.gz GMGPLGRLQPNZKK-GFCCVEGCSA-N 0 0 393.241 2.916 20 5 GFBDRN CNc1nccc(C(=O)N2Cc3ccc(C)c(Br)c3C2)c1[N+](=O)[O-] ZINC000598470277 565620260 /nfs/dbraw/zinc/62/02/60/565620260.db2.gz VVYIZAHPIFEPNR-UHFFFAOYSA-N 0 0 391.225 2.680 20 5 GFBDRN Cn1c(C(=O)N2CCOc3cc(Br)ccc3C2)ccc1[N+](=O)[O-] ZINC000598474936 565620447 /nfs/dbraw/zinc/62/04/47/565620447.db2.gz AXVJYUSUVKHXLE-UHFFFAOYSA-N 0 0 380.198 2.731 20 5 GFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@](C)(C(F)F)C2)cc1SC ZINC000598572437 565627746 /nfs/dbraw/zinc/62/77/46/565627746.db2.gz LZUQDPBVUAURAH-OAHLLOKOSA-N 0 0 376.381 2.822 20 5 GFBDRN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598609144 565629319 /nfs/dbraw/zinc/62/93/19/565629319.db2.gz QVFOUGRVHUTHQS-ICBMNTSNSA-N 0 0 388.511 2.570 20 5 GFBDRN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598767788 565641293 /nfs/dbraw/zinc/64/12/93/565641293.db2.gz WUTLRSBRXQYKAH-GANBNBROSA-N 0 0 389.271 2.777 20 5 GFBDRN O=C(NCCc1cn2c(n1)CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599034962 565654150 /nfs/dbraw/zinc/65/41/50/565654150.db2.gz JNSGPCDJAOIGCQ-UHFFFAOYSA-N 0 0 393.241 2.863 20 5 GFBDRN COc1cccc([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])OC)c1 ZINC000599115990 565656413 /nfs/dbraw/zinc/65/64/13/565656413.db2.gz REULWROCGGHGNX-ZDUSSCGKSA-N 0 0 386.451 2.868 20 5 GFBDRN NS(=O)(=O)c1ccc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000599122504 565658022 /nfs/dbraw/zinc/65/80/22/565658022.db2.gz HHTMTFBYNGNQQX-APHBMKBZSA-N 0 0 379.825 2.646 20 5 GFBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(Cc2ccccc2Br)C1 ZINC000599184919 565660158 /nfs/dbraw/zinc/66/01/58/565660158.db2.gz UIZLFDSUFIZEGM-UHFFFAOYSA-N 0 0 391.225 2.530 20 5 GFBDRN CC1(C)C[C@@H](S(=O)(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000599291757 565666716 /nfs/dbraw/zinc/66/67/16/565666716.db2.gz QKMLILJWBUQVLQ-GFCCVEGCSA-N 0 0 382.360 2.601 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599420813 565678277 /nfs/dbraw/zinc/67/82/77/565678277.db2.gz FLHHYZAOWTXHPT-WDEREUQCSA-N 0 0 390.483 2.645 20 5 GFBDRN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000599480522 565683595 /nfs/dbraw/zinc/68/35/95/565683595.db2.gz AIGAQPHHNJDFOI-GHMZBOCLSA-N 0 0 398.257 2.877 20 5 GFBDRN O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676845 565696599 /nfs/dbraw/zinc/69/65/99/565696599.db2.gz HSAXRIDDJUYLDR-HNNXBMFYSA-N 0 0 386.235 2.777 20 5 GFBDRN Cn1ccnc1[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599724837 565698262 /nfs/dbraw/zinc/69/82/62/565698262.db2.gz YREHSEIHOWYZEJ-JTQLQIEISA-N 0 0 379.214 2.721 20 5 GFBDRN C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000599873736 565704694 /nfs/dbraw/zinc/70/46/94/565704694.db2.gz KUKAPJCRRZWMQF-BDJLRTHQSA-N 0 0 399.241 2.767 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599861671 565704782 /nfs/dbraw/zinc/70/47/82/565704782.db2.gz QIYPSBHOGPXNIZ-BZNIZROVSA-N 0 0 399.241 2.767 20 5 GFBDRN CC(C)(C)n1ncnc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599906109 565705784 /nfs/dbraw/zinc/70/57/84/565705784.db2.gz ZLPRCEDONDFFFZ-UHFFFAOYSA-N 0 0 382.218 2.634 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600483517 565731997 /nfs/dbraw/zinc/73/19/97/565731997.db2.gz HSDIQYHJRPEDML-OCDDVZBJSA-N 0 0 376.356 2.739 20 5 GFBDRN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600594245 565738550 /nfs/dbraw/zinc/73/85/50/565738550.db2.gz JPRYTSJJXXYCBR-AAEUAGOBSA-N 0 0 393.241 2.958 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCN(c3cncc(F)c3)CC2)c(Br)c1 ZINC000601186578 565770937 /nfs/dbraw/zinc/77/09/37/565770937.db2.gz QEMLEGPRCYVGNL-UHFFFAOYSA-N 0 0 382.193 2.613 20 5 GFBDRN O=[N+]([O-])c1c(NCc2ccnc(N3CCSCC3)c2)nc2sccn21 ZINC000601240929 565772051 /nfs/dbraw/zinc/77/20/51/565772051.db2.gz RHTAVGGLEJYJRT-UHFFFAOYSA-N 0 0 376.467 2.864 20 5 GFBDRN C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000601342675 565776853 /nfs/dbraw/zinc/77/68/53/565776853.db2.gz GEJNJSBCCYGGNG-HOCLYGCPSA-N 0 0 393.241 2.648 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])s1 ZINC000601447936 565783967 /nfs/dbraw/zinc/78/39/67/565783967.db2.gz ACASBTWRMDNNSS-AWEZNQCLSA-N 0 0 386.495 2.935 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000601695981 565798862 /nfs/dbraw/zinc/79/88/62/565798862.db2.gz JYYJTUZQWGXXCK-UHFFFAOYSA-N 0 0 393.241 2.756 20 5 GFBDRN CCn1nc2c(cc1=O)CN(Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602482932 565851112 /nfs/dbraw/zinc/85/11/12/565851112.db2.gz HZXUJKJTTUSNBQ-UHFFFAOYSA-N 0 0 399.270 2.554 20 5 GFBDRN C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)c([N+](=O)[O-])s1)CCO2 ZINC000602652034 565861117 /nfs/dbraw/zinc/86/11/17/565861117.db2.gz VKDJHJGPKCWSNY-TVQRCGJNSA-N 0 0 377.260 2.799 20 5 GFBDRN COc1cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Br)cn1 ZINC000602963313 565877018 /nfs/dbraw/zinc/87/70/18/565877018.db2.gz VDKQWYKVEXYTMM-MRXNPFEDSA-N 0 0 396.241 2.758 20 5 GFBDRN O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000603663628 565912922 /nfs/dbraw/zinc/91/29/22/565912922.db2.gz OPKNQHGXQFLRHX-UHFFFAOYSA-N 0 0 399.222 2.770 20 5 GFBDRN Cc1cccnc1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609199243 566033643 /nfs/dbraw/zinc/03/36/43/566033643.db2.gz OUKKSJAIQNURPF-UHFFFAOYSA-N 0 0 386.227 2.539 20 5 GFBDRN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000609517359 566041715 /nfs/dbraw/zinc/04/17/15/566041715.db2.gz GDISCFGGLZANJH-MRVPVSSYSA-N 0 0 384.464 2.575 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)Nc1ccc(Br)cc1 ZINC000609850216 566055168 /nfs/dbraw/zinc/05/51/68/566055168.db2.gz BFNJPUSBSYDERE-UHFFFAOYSA-N 0 0 386.589 2.811 20 5 GFBDRN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841761 566055296 /nfs/dbraw/zinc/05/52/96/566055296.db2.gz NJLQUMCOTFNBJZ-UHFFFAOYSA-N 0 0 387.776 2.595 20 5 GFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Oc1ccc(Br)cc1 ZINC000610305779 566076527 /nfs/dbraw/zinc/07/65/27/566076527.db2.gz DNZRPZNTYFRRBF-SNVBAGLBSA-N 0 0 382.214 2.893 20 5 GFBDRN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610413548 566081028 /nfs/dbraw/zinc/08/10/28/566081028.db2.gz XHTSCHOUNSIYSG-UFBFGSQYSA-N 0 0 381.738 2.838 20 5 GFBDRN O=C(CCn1cc(Br)cn1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610653833 566091098 /nfs/dbraw/zinc/09/10/98/566091098.db2.gz IDHDUHHTQAJKKR-UHFFFAOYSA-N 0 0 390.197 2.553 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2sc(Br)cc2C1 ZINC000610938052 566106482 /nfs/dbraw/zinc/10/64/82/566106482.db2.gz GMPLXVFORKESLV-UHFFFAOYSA-N 0 0 384.211 2.718 20 5 GFBDRN CCn1cc(S(=O)(=O)N2CCCc3cc(Cl)cc(F)c32)c([N+](=O)[O-])n1 ZINC000611105763 566115309 /nfs/dbraw/zinc/11/53/09/566115309.db2.gz LOWMPXRUYIEVSR-UHFFFAOYSA-N 0 0 388.808 2.745 20 5 GFBDRN C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611227159 566122254 /nfs/dbraw/zinc/12/22/54/566122254.db2.gz IHLNCEIRTFOISS-SSDOTTSWSA-N 0 0 378.186 2.929 20 5 GFBDRN CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000611221806 566122340 /nfs/dbraw/zinc/12/23/40/566122340.db2.gz ALKQNPSSOCJLDV-NXEZZACHSA-N 0 0 389.193 2.526 20 5 GFBDRN Cc1cc(Br)cn2cc(CCNc3ccncc3[N+](=O)[O-])nc12 ZINC000612453402 566163652 /nfs/dbraw/zinc/16/36/52/566163652.db2.gz AKEGVTJHQISWEU-UHFFFAOYSA-N 0 0 376.214 2.785 20 5 GFBDRN CCC(=O)N[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000612956121 566180277 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379.214 2.949 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000366357781 563806241 /nfs/dbraw/zinc/80/62/41/563806241.db2.gz IWVXMDFIHMZXDC-JSGCOSHPSA-N 0 0 396.241 2.926 20 5 GFBDRN CC1(C)CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443993687 563817534 /nfs/dbraw/zinc/81/75/34/563817534.db2.gz QEVRFLQGECMHEV-UHFFFAOYSA-N 0 0 375.878 2.649 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000366964775 563826242 /nfs/dbraw/zinc/82/62/42/563826242.db2.gz XFMNPBQRIOPDKU-JTQLQIEISA-N 0 0 379.214 2.676 20 5 GFBDRN CCC1(CC)CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[S@@]1=O ZINC000416465423 563832875 /nfs/dbraw/zinc/83/28/75/563832875.db2.gz LVTWTXYHBBTNFE-DEOSSOPVSA-N 0 0 388.511 2.523 20 5 GFBDRN COCC1=CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416466046 563832938 /nfs/dbraw/zinc/83/29/38/563832938.db2.gz OJTMMFALQLKCDF-UHFFFAOYSA-N 0 0 380.344 2.581 20 5 GFBDRN C[C@H]1COC(C)(C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416472052 563834246 /nfs/dbraw/zinc/83/42/46/563834246.db2.gz RXMYIFJPHZOHMF-VIFPVBQESA-N 0 0 382.360 2.802 20 5 GFBDRN COC[C@@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000367545797 563848840 /nfs/dbraw/zinc/84/88/40/563848840.db2.gz YVNPUKGZCNZEKF-SNVBAGLBSA-N 0 0 380.825 2.825 20 5 GFBDRN Cc1c(Br)cc(-c2nc(-c3cncnc3N)no2)cc1[N+](=O)[O-] ZINC000445465655 563849596 /nfs/dbraw/zinc/84/95/96/563849596.db2.gz SBYPFKBZFTZKGK-UHFFFAOYSA-N 0 0 377.158 2.585 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCCO[C@@H](CF)C1 ZINC000416569654 563849780 /nfs/dbraw/zinc/84/97/80/563849780.db2.gz JNHXGKMLSXJHKR-VIFPVBQESA-N 0 0 387.216 2.651 20 5 GFBDRN C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000416597929 563851798 /nfs/dbraw/zinc/85/17/98/563851798.db2.gz GLMQXWVTPMNNMI-UTLUCORTSA-N 0 0 382.360 2.705 20 5 GFBDRN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CS1 ZINC000416602350 563852127 /nfs/dbraw/zinc/85/21/27/563852127.db2.gz WZRZOYUUUZGYGS-CBAPKCEASA-N 0 0 381.273 2.530 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000416634270 563856187 /nfs/dbraw/zinc/85/61/87/563856187.db2.gz YSLPRJLJTZUKJC-MFKMUULPSA-N 0 0 384.376 2.687 20 5 GFBDRN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000417118941 563868485 /nfs/dbraw/zinc/86/84/85/563868485.db2.gz VPZNRJBWVYQOFQ-NSHDSACASA-N 0 0 399.245 2.878 20 5 GFBDRN CN(Cc1ccccn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447014210 563872516 /nfs/dbraw/zinc/87/25/16/563872516.db2.gz AUETUZCXGODFCL-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000368582626 563874815 /nfs/dbraw/zinc/87/48/15/563874815.db2.gz LGWPGUPEXMXAFA-UHFFFAOYSA-N 0 0 384.845 2.848 20 5 GFBDRN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000447352084 563880386 /nfs/dbraw/zinc/88/03/86/563880386.db2.gz WOJMUNCHXCNFHU-VIFPVBQESA-N 0 0 392.209 2.978 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1Br ZINC000447580874 563883258 /nfs/dbraw/zinc/88/32/58/563883258.db2.gz QRCOAWVLLDAVQY-UHFFFAOYSA-N 0 0 395.213 2.546 20 5 GFBDRN Nc1nc(N2CCC[C@@H](Nc3cccc(Br)c3)C2)ncc1[N+](=O)[O-] ZINC000447810544 563887333 /nfs/dbraw/zinc/88/73/33/563887333.db2.gz JMGPDPPLCZEOIT-GFCCVEGCSA-N 0 0 393.245 2.641 20 5 GFBDRN Cc1cnn(C2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000369275561 563891235 /nfs/dbraw/zinc/89/12/35/563891235.db2.gz BTLIXILMNSOLOD-UHFFFAOYSA-N 0 0 384.845 2.779 20 5 GFBDRN COCCN(Cc1cncs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447941364 563891896 /nfs/dbraw/zinc/89/18/96/563891896.db2.gz RCLJFERYLJNKAF-UHFFFAOYSA-N 0 0 391.858 2.542 20 5 GFBDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000470827487 564178697 /nfs/dbraw/zinc/17/86/97/564178697.db2.gz VFRWIEQBZZJDNG-MRVPVSSYSA-N 0 0 383.202 2.590 20 5 GFBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000505223242 564179216 /nfs/dbraw/zinc/17/92/16/564179216.db2.gz JGCIXAZAUKDGEU-UHFFFAOYSA-N 0 0 386.195 2.726 20 5 GFBDRN Cn1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc2cccnc21 ZINC000505354291 564181319 /nfs/dbraw/zinc/18/13/19/564181319.db2.gz VURWCICXQSGHFP-UHFFFAOYSA-N 0 0 390.197 2.820 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N3CC(CCO)C3)cc2[N+](=O)[O-])n1 ZINC000538317480 564188432 /nfs/dbraw/zinc/18/84/32/564188432.db2.gz FDSCPWXVODCCIE-UHFFFAOYSA-N 0 0 379.463 2.965 20 5 GFBDRN CCc1ccc(S(=O)(=O)NCc2csc([C@H](C)OC)n2)cc1[N+](=O)[O-] ZINC000563532831 564195146 /nfs/dbraw/zinc/19/51/46/564195146.db2.gz RJFDMSSFKMYXPC-JTQLQIEISA-N 0 0 385.467 2.800 20 5 GFBDRN CCOC(=O)c1cc(N(C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000563564943 564197139 /nfs/dbraw/zinc/19/71/39/564197139.db2.gz JVAVHGKJRAMKAC-UHFFFAOYSA-N 0 0 397.229 2.867 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1nc(-c2cc(Br)cs2)no1 ZINC000471534132 564197473 /nfs/dbraw/zinc/19/74/73/564197473.db2.gz VSXZIBOQDMCUAK-UHFFFAOYSA-N 0 0 397.210 2.987 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000506262797 564199925 /nfs/dbraw/zinc/19/99/25/564199925.db2.gz RRDVFOYBRSIQNG-UHFFFAOYSA-N 0 0 398.236 2.552 20 5 GFBDRN CN(C)c1cccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000471636490 564200136 /nfs/dbraw/zinc/20/01/36/564200136.db2.gz NKWGZTNZQRHHSM-UHFFFAOYSA-N 0 0 383.857 2.835 20 5 GFBDRN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000538882770 564204451 /nfs/dbraw/zinc/20/44/51/564204451.db2.gz BPYCKBQXJIWCJQ-AWEZNQCLSA-N 0 0 383.173 2.960 20 5 GFBDRN Cc1nc(N[C@H]2CCO[C@@H]2c2cncc(Br)c2)ncc1[N+](=O)[O-] ZINC000450513383 564236652 /nfs/dbraw/zinc/23/66/52/564236652.db2.gz VWCOBZZFGRLHKQ-WCQYABFASA-N 0 0 380.202 2.793 20 5 GFBDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000540242537 564243513 /nfs/dbraw/zinc/24/35/13/564243513.db2.gz KPXRKMOBAJYISD-SDBXPKJASA-N 0 0 383.202 2.586 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(-c2ncc[nH]2)no1 ZINC000508040274 564250528 /nfs/dbraw/zinc/25/05/28/564250528.db2.gz KLYDBLDMXHBEAY-UHFFFAOYSA-N 0 0 397.132 2.948 20 5 GFBDRN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000473611816 564250527 /nfs/dbraw/zinc/25/05/27/564250527.db2.gz AMUHQZWYPTVTEU-GZMMTYOYSA-N 0 0 383.177 2.814 20 5 GFBDRN CCOc1cc(N2CCN(Cc3nnsc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000564820135 564250788 /nfs/dbraw/zinc/25/07/88/564250788.db2.gz SLQLLXZECRFPNY-UHFFFAOYSA-N 0 0 383.861 2.821 20 5 GFBDRN Cn1nccc1[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000450848893 564251532 /nfs/dbraw/zinc/25/15/32/564251532.db2.gz XVHHULXENKRJAH-NOZJJQNGSA-N 0 0 382.218 2.818 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000508344079 564261847 /nfs/dbraw/zinc/26/18/47/564261847.db2.gz QIUJYEUKDZJTEI-UHFFFAOYSA-N 0 0 377.260 2.984 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 ZINC000451011477 564263325 /nfs/dbraw/zinc/26/33/25/564263325.db2.gz XFTDBYOUZYQAIB-LBPRGKRZSA-N 0 0 377.413 2.752 20 5 GFBDRN COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000474161657 564267535 /nfs/dbraw/zinc/26/75/35/564267535.db2.gz YFWVPGJIUTZSOV-CYBMUJFWSA-N 0 0 384.841 2.784 20 5 GFBDRN C[C@@H](SCC(=O)N(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451075281 564270991 /nfs/dbraw/zinc/27/09/91/564270991.db2.gz AKJGDGFPURCNOR-MRVPVSSYSA-N 0 0 379.360 2.762 20 5 GFBDRN Cc1c(Br)c(N[C@H](C)C(=O)NCc2ccco2)ncc1[N+](=O)[O-] ZINC000541576104 564284377 /nfs/dbraw/zinc/28/43/77/564284377.db2.gz WCRCTZQXAOJFRW-SECBINFHSA-N 0 0 383.202 2.771 20 5 GFBDRN Cc1c(Br)c(NC2CCN(C(=O)C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000541577589 564284422 /nfs/dbraw/zinc/28/44/22/564284422.db2.gz DDZBJYBCXNFRSU-UHFFFAOYSA-N 0 0 383.246 2.874 20 5 GFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000541658577 564286356 /nfs/dbraw/zinc/28/63/56/564286356.db2.gz MGUKBOXBNBJADQ-UHFFFAOYSA-N 0 0 386.788 2.591 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCOc2ccc(Cl)cn2)c1 ZINC000541818924 564290736 /nfs/dbraw/zinc/29/07/36/564290736.db2.gz FROJPYQKVHYEOK-UHFFFAOYSA-N 0 0 385.829 2.617 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)Nc2ncc(C(F)(F)F)s2)cc([N+](=O)[O-])c1 ZINC000475857948 564322616 /nfs/dbraw/zinc/32/26/16/564322616.db2.gz RTOOMGZLZOGDHU-UHFFFAOYSA-N 0 0 395.340 2.726 20 5 GFBDRN Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])nn3C)s2)cs1 ZINC000476072963 564327239 /nfs/dbraw/zinc/32/72/39/564327239.db2.gz QDEAOXBFLWTNAV-UHFFFAOYSA-N 0 0 377.451 2.794 20 5 GFBDRN CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434311 564332762 /nfs/dbraw/zinc/33/27/62/564332762.db2.gz CWKHBYAQMMXQPB-CMPLNLGQSA-N 0 0 387.483 2.965 20 5 GFBDRN CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000510434316 564333032 /nfs/dbraw/zinc/33/30/32/564333032.db2.gz CWKHBYAQMMXQPB-PWSUYJOCSA-N 0 0 387.483 2.965 20 5 GFBDRN Cc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000543119231 564338402 /nfs/dbraw/zinc/33/84/02/564338402.db2.gz QLYMSDQJJZUUDH-LBPRGKRZSA-N 0 0 397.225 2.576 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000451716049 564343424 /nfs/dbraw/zinc/34/34/24/564343424.db2.gz LTMNUZDMIBJIEU-GFCCVEGCSA-N 0 0 375.244 2.839 20 5 GFBDRN CC1(F)CC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000566838062 564345507 /nfs/dbraw/zinc/34/55/07/564345507.db2.gz PCOVTWIEAAEFDJ-UHFFFAOYSA-N 0 0 378.141 2.820 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000451761038 564348664 /nfs/dbraw/zinc/34/86/64/564348664.db2.gz OCLQZGGOTVEFBF-MRXNPFEDSA-N 0 0 384.841 2.911 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000543668344 564358361 /nfs/dbraw/zinc/35/83/61/564358361.db2.gz BWHJGTLTYPDUQG-UHFFFAOYSA-N 0 0 394.229 2.602 20 5 GFBDRN O=C(Nc1cc(Cl)ccn1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000511172288 564361290 /nfs/dbraw/zinc/36/12/90/564361290.db2.gz NBFMBDFLWIXZBZ-SNVBAGLBSA-N 0 0 380.813 2.948 20 5 GFBDRN Cc1nc2sccn2c1CN(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000477110436 564365478 /nfs/dbraw/zinc/36/54/78/564365478.db2.gz CSXMDCYRMMWMHZ-UHFFFAOYSA-N 0 0 380.451 2.742 20 5 GFBDRN Cn1c(C(=O)N[C@H](CCO)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000543838337 564365860 /nfs/dbraw/zinc/36/58/60/564365860.db2.gz MWALCPKXRKJTAZ-GFCCVEGCSA-N 0 0 382.214 2.549 20 5 GFBDRN CN(C)c1ccnc(NCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000567319071 564366192 /nfs/dbraw/zinc/36/61/92/564366192.db2.gz KFURZZQGMHIPGH-UHFFFAOYSA-N 0 0 399.192 2.668 20 5 GFBDRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000543899204 564368115 /nfs/dbraw/zinc/36/81/15/564368115.db2.gz SHDFRJMLRNJQBA-LBPRGKRZSA-N 0 0 381.841 2.890 20 5 GFBDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000477217281 564369672 /nfs/dbraw/zinc/36/96/72/564369672.db2.gz BXRYOWKXZABBBQ-UHFFFAOYSA-N 0 0 386.495 2.794 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000511398887 564371058 /nfs/dbraw/zinc/37/10/58/564371058.db2.gz QHQSYBFULLSEAD-VIFPVBQESA-N 0 0 384.788 2.806 20 5 GFBDRN COc1cc(S(=O)(=O)NCc2ccc(CSC)cc2)ccc1[N+](=O)[O-] ZINC000511413771 564372064 /nfs/dbraw/zinc/37/20/64/564372064.db2.gz JEEBMTONUSREGH-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000451970418 564373943 /nfs/dbraw/zinc/37/39/43/564373943.db2.gz YCJOYPNCCDGRNK-ZFWWWQNUSA-N 0 0 382.463 2.996 20 5 GFBDRN COC(=O)c1ccc(Oc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000477699239 564383875 /nfs/dbraw/zinc/38/38/75/564383875.db2.gz HLGUBMJATWRORP-UHFFFAOYSA-N 0 0 387.391 2.647 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000452038485 564385686 /nfs/dbraw/zinc/38/56/86/564385686.db2.gz CYYVDONYOPYVDK-HNNXBMFYSA-N 0 0 390.458 2.650 20 5 GFBDRN COC(=O)C[C@H]1CSCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000477936246 564391083 /nfs/dbraw/zinc/39/10/83/564391083.db2.gz PASBIZZDHARCLK-YPMHNXCESA-N 0 0 384.479 2.583 20 5 GFBDRN COc1ccc(CSCC(=O)N[C@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000544706467 564395632 /nfs/dbraw/zinc/39/56/32/564395632.db2.gz ZEZSKYQDYGPRLI-SECBINFHSA-N 0 0 382.467 2.874 20 5 GFBDRN CC(C)c1ccc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000544851032 564402143 /nfs/dbraw/zinc/40/21/43/564402143.db2.gz SRIGGCPZLWWRIC-UHFFFAOYSA-N 0 0 382.463 2.983 20 5 GFBDRN CC(C)(C)OC(=O)C1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000452626137 564424166 /nfs/dbraw/zinc/42/41/66/564424166.db2.gz IFCDAPSKRTWBPT-UHFFFAOYSA-N 0 0 385.214 2.771 20 5 GFBDRN COCCCOC1(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000479092915 564425037 /nfs/dbraw/zinc/42/50/37/564425037.db2.gz APKIANQLVDZQDS-UHFFFAOYSA-N 0 0 389.246 2.885 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](C2CC2)C1 ZINC000479342782 564436365 /nfs/dbraw/zinc/43/63/65/564436365.db2.gz LGIQDPTUZWFAGF-SNVBAGLBSA-N 0 0 375.244 2.778 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000545933453 564438241 /nfs/dbraw/zinc/43/82/41/564438241.db2.gz SAPHAHNWEPKRCI-UHFFFAOYSA-N 0 0 381.435 2.527 20 5 GFBDRN O=C1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CN1C1CC1 ZINC000479442171 564440563 /nfs/dbraw/zinc/44/05/63/564440563.db2.gz VLZCONHARIOPJI-JTQLQIEISA-N 0 0 391.225 2.503 20 5 GFBDRN Cc1c(Br)c(=O)n(C[C@@H](O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000453009413 564442219 /nfs/dbraw/zinc/44/22/19/564442219.db2.gz MOAARNOLOPDFNV-IINYFYTJSA-N 0 0 381.226 2.992 20 5 GFBDRN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000479614082 564445422 /nfs/dbraw/zinc/44/54/22/564445422.db2.gz OKKIIEYEHJVGJV-RNCFNFMXSA-N 0 0 385.214 2.771 20 5 GFBDRN Cn1cc(Br)c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312652 564453128 /nfs/dbraw/zinc/45/31/28/564453128.db2.gz VPVBEIMWSBMIKV-WCQYABFASA-N 0 0 383.250 2.561 20 5 GFBDRN CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000479952341 564456127 /nfs/dbraw/zinc/45/61/27/564456127.db2.gz WPUIELBYDJSYBA-UHFFFAOYSA-N 0 0 382.825 2.972 20 5 GFBDRN Cc1c(Br)cc(-c2nc([C@@H]3CN(C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505459 564457516 /nfs/dbraw/zinc/45/75/16/564457516.db2.gz YJMJFLROCSOFBU-ZDUSSCGKSA-N 0 0 396.245 2.634 20 5 GFBDRN O=[N+]([O-])c1ccc(CNc2ncc(I)cn2)c(Cl)c1 ZINC000546636304 564463056 /nfs/dbraw/zinc/46/30/56/564463056.db2.gz SIKZXDDOMOHHJM-UHFFFAOYSA-N 0 0 390.568 2.677 20 5 GFBDRN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000480299775 564467931 /nfs/dbraw/zinc/46/79/31/564467931.db2.gz FNYWJQXJMULKQV-MWLCHTKSSA-N 0 0 381.376 2.670 20 5 GFBDRN Cc1nnc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000546765542 564468246 /nfs/dbraw/zinc/46/82/46/564468246.db2.gz ONTWKXGUKKAHLH-SSDOTTSWSA-N 0 0 385.243 2.937 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)Oc1ccc(Br)cc1 ZINC000546796155 564468819 /nfs/dbraw/zinc/46/88/19/564468819.db2.gz QOUAHFUNLGEWEK-VIFPVBQESA-N 0 0 395.213 2.532 20 5 GFBDRN Cc1c(NC(=O)C(=O)NC2CC(C)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000453786076 564472023 /nfs/dbraw/zinc/47/20/23/564472023.db2.gz DAQQIFMEPCTPOW-UHFFFAOYSA-N 0 0 388.193 2.611 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1-c1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000547084518 564478075 /nfs/dbraw/zinc/47/80/75/564478075.db2.gz XMFLMULRFYWKOU-UHFFFAOYSA-N 0 0 382.149 2.871 20 5 GFBDRN CC(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000515441039 564479439 /nfs/dbraw/zinc/47/94/39/564479439.db2.gz MGSGIXVLDYUJII-JTQLQIEISA-N 0 0 384.230 2.800 20 5 GFBDRN COC(=O)[C@@H](C)N(C1CCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000480898574 564494763 /nfs/dbraw/zinc/49/47/63/564494763.db2.gz MXWOYBQVXAXQRR-SNVBAGLBSA-N 0 0 390.845 2.661 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000480917054 564495737 /nfs/dbraw/zinc/49/57/37/564495737.db2.gz XBVNOBSPHUBOLN-JTQLQIEISA-N 0 0 383.813 2.554 20 5 GFBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000570951545 564528665 /nfs/dbraw/zinc/52/86/65/564528665.db2.gz BVAGNUBASJVOKT-LLVKDONJSA-N 0 0 385.442 2.918 20 5 GFBDRN O=[N+]([O-])c1cnn(C[C@H](O)COc2cnc3ccc(Br)cc3c2)c1 ZINC000548141151 564532780 /nfs/dbraw/zinc/53/27/80/564532780.db2.gz QMXRFBTWBYRBLV-ZDUSSCGKSA-N 0 0 393.197 2.542 20 5 GFBDRN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000571187279 564540122 /nfs/dbraw/zinc/54/01/22/564540122.db2.gz WIFIVMZCVFKCNY-NOZJJQNGSA-N 0 0 384.230 2.991 20 5 GFBDRN COc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-] ZINC000483076212 564557880 /nfs/dbraw/zinc/55/78/80/564557880.db2.gz RDNVHJVYMSOICB-UHFFFAOYSA-N 0 0 384.797 2.913 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2I)c1 ZINC000483364203 564565429 /nfs/dbraw/zinc/56/54/29/564565429.db2.gz KDAFWZNIMFFRNX-UHFFFAOYSA-N 0 0 383.145 2.577 20 5 GFBDRN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000484034794 564580741 /nfs/dbraw/zinc/58/07/41/564580741.db2.gz GDPGKQTYRALJSG-UHFFFAOYSA-N 0 0 397.185 2.520 20 5 GFBDRN CNS(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000484092902 564581951 /nfs/dbraw/zinc/58/19/51/564581951.db2.gz BTQJONXZAYXCOB-UHFFFAOYSA-N 0 0 398.447 2.766 20 5 GFBDRN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000456100799 564587452 /nfs/dbraw/zinc/58/74/52/564587452.db2.gz BPRMVAOKVWEAQW-GFCCVEGCSA-N 0 0 399.197 2.765 20 5 GFBDRN COc1cc(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000549559024 564598457 /nfs/dbraw/zinc/59/84/57/564598457.db2.gz DBLWVQKCDIUTGQ-UHFFFAOYSA-N 0 0 384.841 2.919 20 5 GFBDRN CCOc1cc(Br)c(F)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000485158467 564609366 /nfs/dbraw/zinc/60/93/66/564609366.db2.gz CXFOUOCBABQGFA-UHFFFAOYSA-N 0 0 387.165 2.730 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000550316125 564619889 /nfs/dbraw/zinc/61/98/89/564619889.db2.gz BSSVKBUAPYOULO-CYBMUJFWSA-N 0 0 393.237 2.999 20 5 GFBDRN CCn1cc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000456699753 564625306 /nfs/dbraw/zinc/62/53/06/564625306.db2.gz UWZKKSITQAFRBN-JTQLQIEISA-N 0 0 381.230 2.994 20 5 GFBDRN O=[N+]([O-])c1cnc(N2CCC(Oc3cnccn3)CC2)c(Br)c1 ZINC000486015031 564635109 /nfs/dbraw/zinc/63/51/09/564635109.db2.gz HXSIVMGUYQUBKW-UHFFFAOYSA-N 0 0 380.202 2.590 20 5 GFBDRN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551329624 564646132 /nfs/dbraw/zinc/64/61/32/564646132.db2.gz RWGKFZMAGFMTQZ-MRVPVSSYSA-N 0 0 382.170 2.707 20 5 GFBDRN Cc1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000457184130 564651500 /nfs/dbraw/zinc/65/15/00/564651500.db2.gz QSCNZXYWBNFCPS-UHFFFAOYSA-N 0 0 378.226 2.962 20 5 GFBDRN C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1ccsc1 ZINC000523121815 564662110 /nfs/dbraw/zinc/66/21/10/564662110.db2.gz WLYQWZWZGHZLBJ-NSHDSACASA-N 0 0 379.463 2.806 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000574429060 564673276 /nfs/dbraw/zinc/67/32/76/564673276.db2.gz DWHZLGBKOIGGEX-CQSZACIVSA-N 0 0 394.229 2.703 20 5 GFBDRN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000524649320 564684405 /nfs/dbraw/zinc/68/44/05/564684405.db2.gz ZYEXPXSODSSTQT-UHFFFAOYSA-N 0 0 386.227 2.573 20 5 GFBDRN CO[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000524681249 564685293 /nfs/dbraw/zinc/68/52/93/564685293.db2.gz JYIRMCZYBDUROS-CQSZACIVSA-N 0 0 385.829 2.695 20 5 GFBDRN COc1cccc(C[C@@H](O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000552398796 564690017 /nfs/dbraw/zinc/69/00/17/564690017.db2.gz WYHTXLOYKHPWHR-OAHLLOKOSA-N 0 0 395.209 2.908 20 5 GFBDRN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCS(=O)CC1 ZINC000487633770 564692799 /nfs/dbraw/zinc/69/27/99/564692799.db2.gz DJMPBRBINRWHKS-UHFFFAOYSA-N 0 0 376.459 2.951 20 5 GFBDRN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)Oc1ccccc1Cl ZINC000525191726 564695187 /nfs/dbraw/zinc/69/51/87/564695187.db2.gz YVLMINRUIPMARJ-JTQLQIEISA-N 0 0 385.829 2.775 20 5 GFBDRN Cc1nc(SCCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 ZINC000552743521 564700239 /nfs/dbraw/zinc/70/02/39/564700239.db2.gz OTKZMCANUVIBAC-UHFFFAOYSA-N 0 0 386.231 2.905 20 5 GFBDRN O=C(N[C@@H]1CC[S@](=O)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487963132 564700774 /nfs/dbraw/zinc/70/07/74/564700774.db2.gz PUYFRPBTWJUVPT-SHZVTRLKSA-N 0 0 376.459 2.997 20 5 GFBDRN O=C(N[C@H]1CC[S@@](=O)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487963134 564700932 /nfs/dbraw/zinc/70/09/32/564700932.db2.gz PUYFRPBTWJUVPT-ZJWNCGCPSA-N 0 0 376.459 2.997 20 5 GFBDRN Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000576055361 564705567 /nfs/dbraw/zinc/70/55/67/564705567.db2.gz QRMHJWZCBFRUSH-UHFFFAOYSA-N 0 0 381.179 2.793 20 5 GFBDRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Oc1cccc(Br)c1 ZINC000525729408 564707021 /nfs/dbraw/zinc/70/70/21/564707021.db2.gz BJJPXVUQUVEGBK-JTQLQIEISA-N 0 0 382.214 2.893 20 5 GFBDRN CC1(C)CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[S@]1=O ZINC000458630221 564708787 /nfs/dbraw/zinc/70/87/87/564708787.db2.gz LTJNWZMSRZTNHE-RUZDIDTESA-N 0 0 387.889 2.733 20 5 GFBDRN CS(=O)(=O)c1cc(CNc2ncc([N+](=O)[O-])s2)cc(C(F)(F)F)c1 ZINC000553251192 564714092 /nfs/dbraw/zinc/71/40/92/564714092.db2.gz HWKSOHWZTMFVPA-UHFFFAOYSA-N 0 0 381.357 2.508 20 5 GFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCn1cc(Br)cn1 ZINC000553568815 564726749 /nfs/dbraw/zinc/72/67/49/564726749.db2.gz QCLOCYFFKPNVIE-UHFFFAOYSA-N 0 0 387.621 2.946 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N(CCO)Cc1cccc(Br)c1 ZINC000489097882 564728673 /nfs/dbraw/zinc/72/86/73/564728673.db2.gz GTVPIABGDAFBNI-UHFFFAOYSA-N 0 0 393.237 2.921 20 5 GFBDRN CC(C)n1cnnc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553971037 564746857 /nfs/dbraw/zinc/74/68/57/564746857.db2.gz NTEMYASPCAFGCV-UHFFFAOYSA-N 0 0 396.245 2.731 20 5 GFBDRN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000554149198 564751914 /nfs/dbraw/zinc/75/19/14/564751914.db2.gz OOUJIOICZPEENB-CQSZACIVSA-N 0 0 383.173 2.960 20 5 GFBDRN COc1ccc(CC(=O)N[C@@H](C)c2ncc(Br)cn2)cc1[N+](=O)[O-] ZINC000554398383 564759428 /nfs/dbraw/zinc/75/94/28/564759428.db2.gz HTQPPAGFRBCBPE-VIFPVBQESA-N 0 0 395.213 2.576 20 5 GFBDRN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490087071 564762971 /nfs/dbraw/zinc/76/29/71/564762971.db2.gz DNEAPYBQWZTWQG-AWEZNQCLSA-N 0 0 376.862 2.714 20 5 GFBDRN CCCCN(CC(F)(F)F)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000459994580 564768167 /nfs/dbraw/zinc/76/81/67/564768167.db2.gz WQDSKAWZWAHNFC-UHFFFAOYSA-N 0 0 382.360 2.803 20 5 GFBDRN CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1Br ZINC000554776351 564773664 /nfs/dbraw/zinc/77/36/64/564773664.db2.gz WBGVTGSVAVZDLT-UHFFFAOYSA-N 0 0 393.197 2.673 20 5 GFBDRN COC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000490507360 564774263 /nfs/dbraw/zinc/77/42/63/564774263.db2.gz JVDQNAANLMJVHV-AWEZNQCLSA-N 0 0 392.861 2.765 20 5 GFBDRN CS[C@H](C)CNC(=O)c1cc(C(=O)NC[C@@H](C)SC)cc([N+](=O)[O-])c1 ZINC000461030110 564788050 /nfs/dbraw/zinc/78/80/50/564788050.db2.gz VTACNVHISRZFBE-GHMZBOCLSA-N 0 0 385.511 2.557 20 5 GFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[nH]cc1Br ZINC000581348940 564798183 /nfs/dbraw/zinc/79/81/83/564798183.db2.gz HPXKZXNTQAEULR-UHFFFAOYSA-N 0 0 384.190 2.801 20 5 GFBDRN COc1c(S(=O)(=O)N2CC[C@H](C)C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000493037266 564805227 /nfs/dbraw/zinc/80/52/27/564805227.db2.gz XVSDGDSGUOOXJC-QMMMGPOBSA-N 0 0 393.259 2.705 20 5 GFBDRN CN(CCc1cccc(Br)c1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000462096307 564818755 /nfs/dbraw/zinc/81/87/55/564818755.db2.gz HJORYDJXFOCVHE-UHFFFAOYSA-N 0 0 379.214 2.530 20 5 GFBDRN CC[C@]1(C)CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556528220 564829219 /nfs/dbraw/zinc/82/92/19/564829219.db2.gz HEUBVCHXEFDPFC-OAHLLOKOSA-N 0 0 384.230 2.944 20 5 GFBDRN COc1ccccc1C(=O)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000556554237 564830463 /nfs/dbraw/zinc/83/04/63/564830463.db2.gz FPUJNBABAOKPLT-UHFFFAOYSA-N 0 0 393.193 2.979 20 5 GFBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462373910 564836529 /nfs/dbraw/zinc/83/65/29/564836529.db2.gz ZEBOKJCFAAXVJL-UMSPYCQHSA-N 0 0 379.214 2.767 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462523662 564845261 /nfs/dbraw/zinc/84/52/61/564845261.db2.gz FJVPYWAXWPEOKC-NWDGAFQWSA-N 0 0 394.280 2.807 20 5 GFBDRN CCOC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CC ZINC000462568327 564848442 /nfs/dbraw/zinc/84/84/42/564848442.db2.gz XXMBDGDEITWKML-NOZJJQNGSA-N 0 0 378.834 2.504 20 5 GFBDRN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000557416954 564862851 /nfs/dbraw/zinc/86/28/51/564862851.db2.gz FFNVBJGTACJOGW-CYBMUJFWSA-N 0 0 386.495 2.503 20 5 GFBDRN O=[N+]([O-])c1cnn(CCNc2ccc(Br)c(C(F)(F)F)n2)c1 ZINC000557624380 564869457 /nfs/dbraw/zinc/86/94/57/564869457.db2.gz FIROHCHVHAKKHL-UHFFFAOYSA-N 0 0 380.124 2.502 20 5 GFBDRN CCc1n[nH]c(C(=O)NCc2cc(F)c(F)cc2Br)c1[N+](=O)[O-] ZINC000557685091 564872270 /nfs/dbraw/zinc/87/22/70/564872270.db2.gz QWRHQPNSZSHJQV-UHFFFAOYSA-N 0 0 389.156 2.851 20 5 GFBDRN CCc1nn(C)c(N2CCN(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000557688055 564872533 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2.718 20 5 GFBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000498583416 564903429 /nfs/dbraw/zinc/90/34/29/564903429.db2.gz JXKHZXXLMOQYGY-CQSZACIVSA-N 0 0 392.213 2.842 20 5 GFBDRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000498581805 564903445 /nfs/dbraw/zinc/90/34/45/564903445.db2.gz BIVYMIZRAFQOLQ-QOSJWCAFSA-N 0 0 384.738 2.834 20 5 GFBDRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000498581804 564903555 /nfs/dbraw/zinc/90/35/55/564903555.db2.gz BIVYMIZRAFQOLQ-FDOIEUKUSA-N 0 0 384.738 2.834 20 5 GFBDRN NS(=O)(=O)c1cccc(Sc2ccc3c(c2)OCCCO3)c1[N+](=O)[O-] ZINC000498875604 564911434 /nfs/dbraw/zinc/91/14/34/564911434.db2.gz NJCOOXJFVQIEKA-UHFFFAOYSA-N 0 0 382.419 2.555 20 5 GFBDRN Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000583967802 564914138 /nfs/dbraw/zinc/91/41/38/564914138.db2.gz VIERXJRKSWZILE-UWVGGRQHSA-N 0 0 377.260 2.678 20 5 GFBDRN CSCc1cc(F)ccc1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000531786035 564920325 /nfs/dbraw/zinc/92/03/25/564920325.db2.gz IWYNGNZPTDALIZ-UHFFFAOYSA-N 0 0 385.442 2.856 20 5 GFBDRN CC(C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000465302969 564926232 /nfs/dbraw/zinc/92/62/32/564926232.db2.gz BTNGJPLVNCGNOW-UHFFFAOYSA-N 0 0 377.348 2.708 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)n1 ZINC000466397892 564939962 /nfs/dbraw/zinc/93/99/62/564939962.db2.gz HJMIAELPMGYPJK-UHFFFAOYSA-N 0 0 378.186 2.502 20 5 GFBDRN Cn1cc(Br)c(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)n1 ZINC000559951125 564942373 /nfs/dbraw/zinc/94/23/73/564942373.db2.gz JJAWBIAZQUFCKS-UHFFFAOYSA-N 0 0 393.201 2.795 20 5 GFBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560078185 564948359 /nfs/dbraw/zinc/94/83/59/564948359.db2.gz ODXFIBSROQAATL-LBPRGKRZSA-N 0 0 383.447 2.674 20 5 GFBDRN CO[C@H](CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000466885460 564949315 /nfs/dbraw/zinc/94/93/15/564949315.db2.gz UFZQVRIRTQPORK-CYBMUJFWSA-N 0 0 395.275 2.615 20 5 GFBDRN CC(C)(C)c1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000560128492 564951036 /nfs/dbraw/zinc/95/10/36/564951036.db2.gz MQDHXTDDJHAWHH-UHFFFAOYSA-N 0 0 383.451 2.854 20 5 GFBDRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000500805154 564963006 /nfs/dbraw/zinc/96/30/06/564963006.db2.gz YNLWEXUOPOFSQZ-UHFFFAOYSA-N 0 0 388.398 2.554 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000467421620 564963136 /nfs/dbraw/zinc/96/31/36/564963136.db2.gz WHJNUNQQTWPBID-CQSZACIVSA-N 0 0 386.426 2.866 20 5 GFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccc(Br)cc21 ZINC000501019581 564967852 /nfs/dbraw/zinc/96/78/52/564967852.db2.gz QXTXTENDMVMPEO-UHFFFAOYSA-N 0 0 390.193 2.885 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([S@](C)=O)cc1 ZINC000533701939 564971070 /nfs/dbraw/zinc/97/10/70/564971070.db2.gz PLIFOUAHFMMTRV-ZZDSUILFSA-N 0 0 386.426 2.511 20 5 GFBDRN NC(=O)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501119704 564971683 /nfs/dbraw/zinc/97/16/83/564971683.db2.gz LOXYGBFXZWMMKI-NWDGAFQWSA-N 0 0 385.218 2.523 20 5 GFBDRN C[C@H]1Cc2ccc(Br)cc2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501438163 564979738 /nfs/dbraw/zinc/97/97/38/564979738.db2.gz YLYVEITXTJIPEX-LBPRGKRZSA-N 0 0 392.253 2.966 20 5 GFBDRN CS(=O)(=O)c1cc(C(=O)N(CC(F)F)CC2CCC2)cc([N+](=O)[O-])c1 ZINC000534159150 564981350 /nfs/dbraw/zinc/98/13/50/564981350.db2.gz MKWYLSNCNWYJEK-UHFFFAOYSA-N 0 0 376.381 2.506 20 5 GFBDRN C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000468349297 564982742 /nfs/dbraw/zinc/98/27/42/564982742.db2.gz APBMCHAQUJCGEE-JTQLQIEISA-N 0 0 383.451 2.620 20 5 GFBDRN O=C(C[NH+]1CCCC1)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561175703 564986373 /nfs/dbraw/zinc/98/63/73/564986373.db2.gz FLSIGROSDAXEMX-UHFFFAOYSA-N 0 0 387.267 2.646 20 5 GFBDRN NC(=O)c1ccc(SCC(=O)Nc2scnc2C2CC2)c([N+](=O)[O-])c1 ZINC000534956467 565000432 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C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503766543 565027996 /nfs/dbraw/zinc/02/79/96/565027996.db2.gz SZCJKGORNRISMC-VHSXEESVSA-N 0 0 382.360 2.707 20 5 GFBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000504883341 565045526 /nfs/dbraw/zinc/04/55/26/565045526.db2.gz UCHFIETWUCRDSG-JTQLQIEISA-N 0 0 384.219 2.811 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000537731414 565062103 /nfs/dbraw/zinc/06/21/03/565062103.db2.gz XTRRUFFZTXCHRA-JTQLQIEISA-N 0 0 384.219 2.878 20 5 GFBDRN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1Cc2cccc(Br)c2C1 ZINC000613704936 565078432 /nfs/dbraw/zinc/07/84/32/565078432.db2.gz YPTGFWUUQDAPPB-UHFFFAOYSA-N 0 0 398.238 2.525 20 5 GFBDRN O=[N+]([O-])c1cc2c(ncnc2NCCCS(=O)(=O)c2ccccc2)s1 ZINC000584845368 565101075 /nfs/dbraw/zinc/10/10/75/565101075.db2.gz UNHWRTUTFWIXRG-UHFFFAOYSA-N 0 0 378.435 2.875 20 5 GFBDRN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000586772163 565116098 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GFBDRN CNC(=O)CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000593434651 565330831 /nfs/dbraw/zinc/33/08/31/565330831.db2.gz OKSLYUQRFSBQIL-QMMMGPOBSA-N 0 0 379.360 2.810 20 5 GFBDRN Cc1c(Br)c(N2CCC(Cn3cnnc3)CC2)ncc1[N+](=O)[O-] ZINC000593500054 565336282 /nfs/dbraw/zinc/33/62/82/565336282.db2.gz KCWZVLWLQOFSFB-UHFFFAOYSA-N 0 0 381.234 2.569 20 5 GFBDRN CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c[nH]1 ZINC000619448633 565340912 /nfs/dbraw/zinc/34/09/12/565340912.db2.gz YZUKWVAUNJUWKH-UHFFFAOYSA-N 0 0 383.158 2.509 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000619499021 565344879 /nfs/dbraw/zinc/34/48/79/565344879.db2.gz APKTZDGMTSHWIG-NSHDSACASA-N 0 0 382.360 2.955 20 5 GFBDRN CCn1cc(S(=O)(=O)NC2(c3ccccc3Cl)CCC2)c([N+](=O)[O-])n1 ZINC000593616969 565347045 /nfs/dbraw/zinc/34/70/45/565347045.db2.gz GNARYVHPCFLXBR-UHFFFAOYSA-N 0 0 384.845 2.822 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC3(F)F)C2)c(Br)c1 ZINC000593665161 565354753 /nfs/dbraw/zinc/35/47/53/565354753.db2.gz CPTXUMYLYRJINY-NSHDSACASA-N 0 0 397.197 2.777 20 5 GFBDRN CSCCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000619743846 565357929 /nfs/dbraw/zinc/35/79/29/565357929.db2.gz NYOPMRIEFMOSFM-UHFFFAOYSA-N 0 0 380.207 2.601 20 5 GFBDRN CNc1nccc(C(=O)NCCCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000594285131 565380963 /nfs/dbraw/zinc/38/09/63/565380963.db2.gz RQCBGUAISZOWOT-UHFFFAOYSA-N 0 0 393.241 2.579 20 5 GFBDRN CO[C@@H](CS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000594770794 565419204 /nfs/dbraw/zinc/41/92/04/565419204.db2.gz IJRFZFVBSJHSFS-INIZCTEOSA-N 0 0 390.889 2.915 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000594835929 565427469 /nfs/dbraw/zinc/42/74/69/565427469.db2.gz FQKFQJZRWDQVGO-HTQZYQBOSA-N 0 0 381.237 2.747 20 5 GFBDRN C[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973721 565438285 /nfs/dbraw/zinc/43/82/85/565438285.db2.gz DNZWMVDFEJTNQZ-WCQYABFASA-N 0 0 381.479 2.774 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CC[C@@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000595362705 565468388 /nfs/dbraw/zinc/46/83/88/565468388.db2.gz PDYNRQRDHQRRBF-CQSZACIVSA-N 0 0 381.479 2.864 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000595359295 565468506 /nfs/dbraw/zinc/46/85/06/565468506.db2.gz LBYGQCJSEFOWQS-UHFFFAOYSA-N 0 0 386.857 2.828 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000595395773 565472637 /nfs/dbraw/zinc/47/26/37/565472637.db2.gz NUIPYZVCBAIBCE-LLVKDONJSA-N 0 0 382.360 2.554 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c(C)cc1[N+](=O)[O-] ZINC000595414076 565475792 /nfs/dbraw/zinc/47/57/92/565475792.db2.gz AHNYEJITFQHZPL-XHDPSFHLSA-N 0 0 378.397 2.645 20 5 GFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@@](C)(C(F)F)C1 ZINC000595914750 565498751 /nfs/dbraw/zinc/49/87/51/565498751.db2.gz FWOYVTFJVHWMHJ-RFAUZJTJSA-N 0 0 377.775 2.931 20 5 GFBDRN O=c1[nH]ccc(NC[C@H](CO)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000596210160 565515615 /nfs/dbraw/zinc/51/56/15/565515615.db2.gz KSVFNVVFBBFLBC-LLVKDONJSA-N 0 0 382.214 2.721 20 5 GFBDRN Nc1c(NC(=O)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091521 565551579 /nfs/dbraw/zinc/55/15/79/565551579.db2.gz BYAUHFARDCTYJJ-JMCQJSRRSA-N 0 0 382.726 2.798 20 5 GFBDRN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CC1(F)F ZINC000598218585 565602429 /nfs/dbraw/zinc/60/24/29/565602429.db2.gz MFXQQQUHVFUDJT-NSHDSACASA-N 0 0 396.131 2.975 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000598423430 565616186 /nfs/dbraw/zinc/61/61/86/565616186.db2.gz LCYGJPZEUQAKIB-CQSZACIVSA-N 0 0 379.214 2.918 20 5 GFBDRN CCc1n[nH]c(C(=O)N2CCOc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000598476302 565620927 /nfs/dbraw/zinc/62/09/27/565620927.db2.gz FUXCXMKIGGHJQJ-UHFFFAOYSA-N 0 0 395.213 2.678 20 5 GFBDRN Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000598604389 565629072 /nfs/dbraw/zinc/62/90/72/565629072.db2.gz MPNFOPUYCGXHRA-CABZTGNLSA-N 0 0 382.360 2.552 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC2(F)F)c(Br)c1 ZINC000598622565 565630458 /nfs/dbraw/zinc/63/04/58/565630458.db2.gz PPXVLPJPQQDUAE-ZETCQYMHSA-N 0 0 385.186 2.681 20 5 GFBDRN CN(C)S(=O)(=O)c1ccc(N2CC(Cc3ccsc3)C2)c([N+](=O)[O-])c1 ZINC000598643075 565631966 /nfs/dbraw/zinc/63/19/66/565631966.db2.gz IQXRLRGHMNKEGN-UHFFFAOYSA-N 0 0 381.479 2.586 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000598957800 565651804 /nfs/dbraw/zinc/65/18/04/565651804.db2.gz CTKSFNYKDAOJQE-UHFFFAOYSA-N 0 0 391.225 2.715 20 5 GFBDRN O=C(NCc1nnc2n1CCCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000598997113 565652646 /nfs/dbraw/zinc/65/26/46/565652646.db2.gz WHEYVGRNNNNQLE-UHFFFAOYSA-N 0 0 394.229 2.605 20 5 GFBDRN COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000599162471 565658561 /nfs/dbraw/zinc/65/85/61/565658561.db2.gz HCAOGKVQQCKRQQ-JOYOIKCWSA-N 0 0 388.218 2.523 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000599370868 565672569 /nfs/dbraw/zinc/67/25/69/565672569.db2.gz AAMOMYCHUYJWMO-NSHDSACASA-N 0 0 398.750 2.527 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599377000 565673689 /nfs/dbraw/zinc/67/36/89/565673689.db2.gz FWNRFSLXRHCMBW-IUCAKERBSA-N 0 0 382.360 2.654 20 5 GFBDRN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000599838817 565704838 /nfs/dbraw/zinc/70/48/38/565704838.db2.gz BLIGXPZXUSJBGQ-RYUDHWBXSA-N 0 0 386.221 2.616 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599861669 565704887 /nfs/dbraw/zinc/70/48/87/565704887.db2.gz QIYPSBHOGPXNIZ-BDJLRTHQSA-N 0 0 399.241 2.767 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000599930981 565707013 /nfs/dbraw/zinc/70/70/13/565707013.db2.gz QVYGQFBTZILDCN-VUHZHCFISA-N 0 0 389.271 2.729 20 5 GFBDRN CC(C)(C)OC(=O)C1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599983247 565708663 /nfs/dbraw/zinc/70/86/63/565708663.db2.gz UYWBYLFOYMNANP-UHFFFAOYSA-N 0 0 385.214 2.771 20 5 GFBDRN Cc1sc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000600303947 565722422 /nfs/dbraw/zinc/72/24/22/565722422.db2.gz ZFKUJMTYGYHQOH-UHFFFAOYSA-N 0 0 378.397 2.652 20 5 GFBDRN CC(C)(C(=O)NCC(=O)c1cccc(Cl)c1Cl)n1cc([N+](=O)[O-])cn1 ZINC000600486212 565732581 /nfs/dbraw/zinc/73/25/81/565732581.db2.gz IYIWOFBIOWNGNI-UHFFFAOYSA-N 0 0 385.207 2.832 20 5 GFBDRN O=C(CSCCOc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccs1 ZINC000600568670 565737470 /nfs/dbraw/zinc/73/74/70/565737470.db2.gz JRCWSGIQIYXACF-UHFFFAOYSA-N 0 0 380.447 2.767 20 5 GFBDRN Cc1cc(S(=O)(=O)N[C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])s1 ZINC000601374542 565778724 /nfs/dbraw/zinc/77/87/24/565778724.db2.gz VITZBPKZZOSPLW-NSHDSACASA-N 0 0 392.524 2.688 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C(F)F ZINC000601605432 565794488 /nfs/dbraw/zinc/79/44/88/565794488.db2.gz QQSNZWXLBYXMTM-SNVBAGLBSA-N 0 0 396.131 2.987 20 5 GFBDRN CC1(F)CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000602069558 565820854 /nfs/dbraw/zinc/82/08/54/565820854.db2.gz IITWIIZEXPBZKL-UHFFFAOYSA-N 0 0 388.193 2.646 20 5 GFBDRN CC(C)(C)N1CC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1=O ZINC000602701348 565863977 /nfs/dbraw/zinc/86/39/77/565863977.db2.gz JOSQBYKYKVWDNS-SNVBAGLBSA-N 0 0 376.276 2.908 20 5 GFBDRN O=[N+]([O-])c1sc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Br ZINC000602723271 565865267 /nfs/dbraw/zinc/86/52/67/565865267.db2.gz DPVCWKUOPVDBQT-ZJNREGCTSA-N 0 0 379.301 2.904 20 5 GFBDRN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC000604070607 565923447 /nfs/dbraw/zinc/92/34/47/565923447.db2.gz ZLOLSLXVOWARGM-GFCCVEGCSA-N 0 0 396.197 2.720 20 5 GFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1cccc(Cl)c1 ZINC000609391498 566039170 /nfs/dbraw/zinc/03/91/70/566039170.db2.gz SSVRLDRNEIMTAA-UHFFFAOYSA-N 0 0 382.203 2.948 20 5 GFBDRN NS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000609964727 566060368 /nfs/dbraw/zinc/06/03/68/566060368.db2.gz YYPBRSAAQDWTPU-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C(F)(F)F)O1 ZINC000610409281 566079750 /nfs/dbraw/zinc/07/97/50/566079750.db2.gz QPKYKJUFJNEVEF-WRWORJQWSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000610409110 566079808 /nfs/dbraw/zinc/07/98/08/566079808.db2.gz GNQCKLNPZIMWPC-XCBNKYQSSA-N 0 0 388.751 2.589 20 5 GFBDRN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000610413546 566080914 /nfs/dbraw/zinc/08/09/14/566080914.db2.gz XHTSCHOUNSIYSG-PRHODGIISA-N 0 0 381.738 2.838 20 5 GFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1csc(N(C)C)n1 ZINC000610467849 566081804 /nfs/dbraw/zinc/08/18/04/566081804.db2.gz DHRBQDUOFCFUMZ-SECBINFHSA-N 0 0 384.845 2.854 20 5 GFBDRN O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)CCN1C1CCOCC1 ZINC000610479752 566082620 /nfs/dbraw/zinc/08/26/20/566082620.db2.gz ZHMURYIHXXHDJV-AWEZNQCLSA-N 0 0 384.230 2.549 20 5 GFBDRN COC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570763 566087480 /nfs/dbraw/zinc/08/74/80/566087480.db2.gz KUBLKRPSSXJMQT-NSHDSACASA-N 0 0 385.214 2.915 20 5 GFBDRN COC(=O)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000610618236 566089928 /nfs/dbraw/zinc/08/99/28/566089928.db2.gz SZPPMLWIKRFXIE-UHFFFAOYSA-N 0 0 385.214 2.821 20 5 GFBDRN COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(OC)n1 ZINC000610666717 566092781 /nfs/dbraw/zinc/09/27/81/566092781.db2.gz XUNDHIZCOXEHBT-UHFFFAOYSA-N 0 0 396.197 2.951 20 5 GFBDRN C[C@H]1C[C@@H]1c1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH][nH]1 ZINC000610673562 566092880 /nfs/dbraw/zinc/09/28/80/566092880.db2.gz DTHVPDLBBHVADU-KWQFWETISA-N 0 0 379.214 2.807 20 5 GFBDRN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC(F)(F)C1 ZINC000610785448 566099449 /nfs/dbraw/zinc/09/94/49/566099449.db2.gz UPYLQRWXOSNQNQ-MRVPVSSYSA-N 0 0 385.186 2.823 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1C 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660107353 /nfs/dbraw/zinc/10/73/53/660107353.db2.gz ZZSPAQPCMKGMMM-NSHDSACASA-N 0 0 392.836 2.825 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2c(Br)nnn2C)c1 ZINC000816146221 660146529 /nfs/dbraw/zinc/14/65/29/660146529.db2.gz TZEJJFGOMFTUSY-UHFFFAOYSA-N 0 0 387.215 2.565 20 5 GFBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1Cc2ccncc2C1 ZINC000816580967 660161593 /nfs/dbraw/zinc/16/15/93/660161593.db2.gz BRTRAJQQTKYZKK-UHFFFAOYSA-N 0 0 395.156 2.750 20 5 GFBDRN CCCc1nc(C)c(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)o1 ZINC000817045490 660177898 /nfs/dbraw/zinc/17/78/98/660177898.db2.gz CDZSONHNNVACEH-UHFFFAOYSA-N 0 0 383.202 2.931 20 5 GFBDRN Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)cc1[N+](=O)[O-] ZINC000817066363 660178283 /nfs/dbraw/zinc/17/82/83/660178283.db2.gz AGPSWPIUCVKUPC-GFCCVEGCSA-N 0 0 385.214 2.832 20 5 GFBDRN CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000841536594 661293467 /nfs/dbraw/zinc/29/34/67/661293467.db2.gz GXWOEZSNOJPKNI-JGZJWPJOSA-N 0 0 393.259 2.592 20 5 GFBDRN C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CS1 ZINC000841558129 661300111 /nfs/dbraw/zinc/30/01/11/661300111.db2.gz HCOSKLDOWXZRMI-YUMQZZPRSA-N 0 0 381.273 2.530 20 5 GFBDRN CC(=O)N1CCC[C@@H]1COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000842864088 661357765 /nfs/dbraw/zinc/35/77/65/661357765.db2.gz FOXUHKXKLUAQQY-GFCCVEGCSA-N 0 0 385.214 2.833 20 5 GFBDRN Cc1sc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000844057020 661402313 /nfs/dbraw/zinc/40/23/13/661402313.db2.gz SSAVOGVLGUWKET-VIFPVBQESA-N 0 0 379.360 2.638 20 5 GFBDRN CO[C@@H](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000845343699 661467552 /nfs/dbraw/zinc/46/75/52/661467552.db2.gz RIWZSHFCBUEMHO-JTQLQIEISA-N 0 0 384.694 2.697 20 5 GFBDRN C[C@H]([C@@H](OC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1F)[N+](=O)[O-] ZINC000845873174 661502523 /nfs/dbraw/zinc/50/25/23/661502523.db2.gz BQPCTDHHOWNVIB-YMTOWFKASA-N 0 0 387.410 2.854 20 5 GFBDRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000845975851 661515054 /nfs/dbraw/zinc/51/50/54/661515054.db2.gz CEKYVVQIJYAIOG-BZNIZROVSA-N 0 0 384.841 2.823 20 5 GFBDRN C[C@H](Oc1ccccc1Br)C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847783297 661610450 /nfs/dbraw/zinc/61/04/50/661610450.db2.gz ZXCVPTNOGCWHIK-VIFPVBQESA-N 0 0 384.186 2.602 20 5 GFBDRN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000848018878 661620821 /nfs/dbraw/zinc/62/08/21/661620821.db2.gz COWDTQZBWGWUQQ-JTQLQIEISA-N 0 0 384.219 2.878 20 5 GFBDRN COC(=O)c1ccc(OS(=O)(=O)C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000849386341 661713771 /nfs/dbraw/zinc/71/37/71/661713771.db2.gz HUUGITSCUQTRBA-QMMMGPOBSA-N 0 0 385.316 2.679 20 5 GFBDRN COCCN(CCF)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849442305 661725248 /nfs/dbraw/zinc/72/52/48/661725248.db2.gz CBMAOWDCGIKCAV-UHFFFAOYSA-N 0 0 375.205 2.508 20 5 GFBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCO[C@H]2CC2(F)F)c1Cl ZINC000849444140 661725852 /nfs/dbraw/zinc/72/58/52/661725852.db2.gz RDEWHRMXSJZESA-QMMMGPOBSA-N 0 0 391.179 2.604 20 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563559484 /nfs/dbraw/zinc/55/94/84/563559484.db2.gz PLDAFBZGOXFCEC-CYBMUJFWSA-N 0 0 380.706 2.816 20 5 GFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000286423980 563559824 /nfs/dbraw/zinc/55/98/24/563559824.db2.gz PLDAFBZGOXFCEC-ZDUSSCGKSA-N 0 0 380.706 2.816 20 5 GFBDRN COC(=O)c1ccnc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000431950975 563572327 /nfs/dbraw/zinc/57/23/27/563572327.db2.gz MXJMZZQNBMAMFM-UHFFFAOYSA-N 0 0 380.154 2.791 20 5 GFBDRN Cc1c(Br)cc(C(=O)NCC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000410057252 563579557 /nfs/dbraw/zinc/57/95/57/563579557.db2.gz DMMZCYREAZJMOY-JTQLQIEISA-N 0 0 385.136 2.709 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332177931 563581319 /nfs/dbraw/zinc/58/13/19/563581319.db2.gz VUMNUHQDGNMEME-CQSZACIVSA-N 0 0 376.862 2.632 20 5 GFBDRN C[C@@H]1CSCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000332223901 563584572 /nfs/dbraw/zinc/58/45/72/563584572.db2.gz LHCPMAWEVSAYCV-VIFPVBQESA-N 0 0 395.300 2.731 20 5 GFBDRN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)S1(=O)=O ZINC000287038811 563584761 /nfs/dbraw/zinc/58/47/61/563584761.db2.gz RYTPBCCLVDQJRX-ONGXEEELSA-N 0 0 375.834 2.678 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ncc(Br)cn1 ZINC000432989101 563599758 /nfs/dbraw/zinc/59/97/58/563599758.db2.gz NZWQETSDCRXNED-JTQLQIEISA-N 0 0 394.229 2.745 20 5 GFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000287568925 563607779 /nfs/dbraw/zinc/60/77/79/563607779.db2.gz WRWSQWOQBDUIJW-OAHLLOKOSA-N 0 0 384.841 2.791 20 5 GFBDRN CCC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000433465948 563614008 /nfs/dbraw/zinc/61/40/08/563614008.db2.gz JYQSZYJZQQGYEY-JTQLQIEISA-N 0 0 378.834 2.506 20 5 GFBDRN COCCCONC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000287751588 563616409 /nfs/dbraw/zinc/61/64/09/563616409.db2.gz IPFAMDUSTLEOSB-UHFFFAOYSA-N 0 0 389.195 2.785 20 5 GFBDRN CC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000287777858 563617314 /nfs/dbraw/zinc/61/73/14/563617314.db2.gz IHKQNUJVHXDBOZ-RLBYVTRPSA-N 0 0 376.837 2.688 20 5 GFBDRN Cc1cc(Br)ccc1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000433926634 563623123 /nfs/dbraw/zinc/62/31/23/563623123.db2.gz LSMZSMIKLAXHGZ-UHFFFAOYSA-N 0 0 396.245 2.704 20 5 GFBDRN CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000288134059 563630256 /nfs/dbraw/zinc/63/02/56/563630256.db2.gz YOLBUSUBRGTOJO-DZVKWRGASA-N 0 0 378.372 2.985 20 5 GFBDRN C[C@H]1CC(C)(C)CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000411840254 563637191 /nfs/dbraw/zinc/63/71/91/563637191.db2.gz FZMUPHQVKGADLR-VIFPVBQESA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1nn(C)c(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000288326399 563638213 /nfs/dbraw/zinc/63/82/13/563638213.db2.gz JFBDOWIVAQOKCT-GFCCVEGCSA-N 0 0 387.223 2.797 20 5 GFBDRN CCOC(=O)N1CCC(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000288425336 563642966 /nfs/dbraw/zinc/64/29/66/563642966.db2.gz OURPMLQHBUCSMU-UHFFFAOYSA-N 0 0 392.817 2.578 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)N2CCSC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000412449550 563658285 /nfs/dbraw/zinc/65/82/85/563658285.db2.gz CBVBGHVQDHFXPR-UHFFFAOYSA-N 0 0 384.479 2.500 20 5 GFBDRN CCC1(CC)CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCS1(=O)=O ZINC000436327532 563668927 /nfs/dbraw/zinc/66/89/27/563668927.db2.gz SOBPWNMJNIAYGN-UHFFFAOYSA-N 0 0 381.376 2.802 20 5 GFBDRN CN1C[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000436470926 563671154 /nfs/dbraw/zinc/67/11/54/563671154.db2.gz SSOMFIOEONRCTL-LLVKDONJSA-N 0 0 381.479 2.780 20 5 GFBDRN COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000412935430 563675534 /nfs/dbraw/zinc/67/55/34/563675534.db2.gz PZKYUISSNYMZPD-HNNXBMFYSA-N 0 0 385.214 2.773 20 5 GFBDRN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1O ZINC000436740204 563678452 /nfs/dbraw/zinc/67/84/52/563678452.db2.gz RGRVSERWFUGDOR-UHFFFAOYSA-N 0 0 380.198 2.905 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289664311 563681872 /nfs/dbraw/zinc/68/18/72/563681872.db2.gz ULRFIMKRDIEZLA-DZGCQCFKSA-N 0 0 386.857 2.970 20 5 GFBDRN CC(C)(CO)[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000289761749 563686023 /nfs/dbraw/zinc/68/60/23/563686023.db2.gz HCMLWZCXVPVGOT-CQSZACIVSA-N 0 0 388.442 2.834 20 5 GFBDRN Cc1cc(Br)cnc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000413325915 563689325 /nfs/dbraw/zinc/68/93/25/563689325.db2.gz GNAFNGOLFUDAOP-UHFFFAOYSA-N 0 0 378.230 2.782 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccn(-c2ccccc2F)n1 ZINC000438304840 563703149 /nfs/dbraw/zinc/70/31/49/563703149.db2.gz MKPZKXKYGGCIME-UHFFFAOYSA-N 0 0 393.172 2.892 20 5 GFBDRN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000438974056 563714787 /nfs/dbraw/zinc/71/47/87/563714787.db2.gz LPCSQXMLJZXZES-UHFFFAOYSA-N 0 0 379.291 2.973 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000414040147 563715756 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GFBDRN CCC1(CO)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290882458 563724790 /nfs/dbraw/zinc/72/47/90/563724790.db2.gz YXRSCOZVHLEIFS-UHFFFAOYSA-N 0 0 380.825 2.561 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000363595306 563727446 /nfs/dbraw/zinc/72/74/46/563727446.db2.gz NKBIPKDVRRLWDF-DZGCQCFKSA-N 0 0 381.523 2.725 20 5 GFBDRN CC(C)(CCc1noc(-c2nccn3c(Br)cnc23)n1)[N+](=O)[O-] ZINC000291137125 563732345 /nfs/dbraw/zinc/73/23/45/563732345.db2.gz XEUZSRVZLXOBHG-UHFFFAOYSA-N 0 0 381.190 2.530 20 5 GFBDRN CCN(C[C@@H](C)OC)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000291225760 563735415 /nfs/dbraw/zinc/73/54/15/563735415.db2.gz JUXZZDOSLJWBSE-SECBINFHSA-N 0 0 392.193 2.696 20 5 GFBDRN CCc1nc(C(C)(C)NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000441724435 563763570 /nfs/dbraw/zinc/76/35/70/563763570.db2.gz DBSFBTIQNBAJMA-UHFFFAOYSA-N 0 0 383.202 2.968 20 5 GFBDRN O=C(NCCc1cn2c(n1)CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000365202918 563777010 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GFBDRN Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)c(C)cc1[N+](=O)[O-] ZINC000416366968 563818320 /nfs/dbraw/zinc/81/83/20/563818320.db2.gz DYCPIWKXXPKJSA-OAHLLOKOSA-N 0 0 383.495 2.854 20 5 GFBDRN CCC1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416407936 563823862 /nfs/dbraw/zinc/82/38/62/563823862.db2.gz NAFMJMJIASTATO-UHFFFAOYSA-N 0 0 382.360 2.539 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000416429356 563827793 /nfs/dbraw/zinc/82/77/93/563827793.db2.gz VSWBESXFMFGLLM-VIFPVBQESA-N 0 0 382.360 2.707 20 5 GFBDRN CCC1(CC)CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[S@]1=O ZINC000416465422 563832934 /nfs/dbraw/zinc/83/29/34/563832934.db2.gz LVTWTXYHBBTNFE-XMMPIXPASA-N 0 0 388.511 2.523 20 5 GFBDRN Cc1nn(C)c(C)c1CCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000444851858 563838397 /nfs/dbraw/zinc/83/83/97/563838397.db2.gz BZYHIGXOESZWLE-UHFFFAOYSA-N 0 0 387.259 2.742 20 5 GFBDRN Cn1cnnc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000367388845 563843162 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GFBDRN COC1([C@@H](C)NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000416614963 563853812 /nfs/dbraw/zinc/85/38/12/563853812.db2.gz IZTJMCGSYHKMGO-SECBINFHSA-N 0 0 393.259 2.593 20 5 GFBDRN O=C(Nc1cccnc1Br)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368416297 563870543 /nfs/dbraw/zinc/87/05/43/563870543.db2.gz JBKZMXSFMJWVLK-SNVBAGLBSA-N 0 0 395.217 2.818 20 5 GFBDRN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000368679815 563877061 /nfs/dbraw/zinc/87/70/61/563877061.db2.gz GTBNJKAQGCXSHK-NSHDSACASA-N 0 0 395.213 2.687 20 5 GFBDRN CC(C)(COc1ncccc1Br)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000448454057 563897279 /nfs/dbraw/zinc/89/72/79/563897279.db2.gz GNZFEXQITBQBHF-UHFFFAOYSA-N 0 0 383.202 2.668 20 5 GFBDRN Cc1ccc(CNCc2nn(C)cc2I)cc1[N+](=O)[O-] ZINC000449604406 564191966 /nfs/dbraw/zinc/19/19/66/564191966.db2.gz KJNGVXKFAQBJPJ-UHFFFAOYSA-N 0 0 386.193 2.531 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)F ZINC000506917246 564214772 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Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1 ZINC000509424279 564298806 /nfs/dbraw/zinc/29/88/06/564298806.db2.gz PTIKCHMDYVJASN-CYBMUJFWSA-N 0 0 395.213 2.915 20 5 GFBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000542229472 564305496 /nfs/dbraw/zinc/30/54/96/564305496.db2.gz BZSGZXUZPWWDGG-CYBMUJFWSA-N 0 0 386.495 2.794 20 5 GFBDRN COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509632287 564307274 /nfs/dbraw/zinc/30/72/74/564307274.db2.gz IVMRLNRHEDUKKU-GFCCVEGCSA-N 0 0 387.230 2.983 20 5 GFBDRN Cc1c(Br)c(Nc2ccc3c(c2)n(C)c(=O)n3C)ncc1[N+](=O)[O-] ZINC000542505458 564316021 /nfs/dbraw/zinc/31/60/21/564316021.db2.gz BAAZHNCVBAKDQP-UHFFFAOYSA-N 0 0 392.213 2.995 20 5 GFBDRN O=[N+]([O-])c1cnc(NCCOc2ccc(I)cc2)s1 ZINC000509903906 564317477 /nfs/dbraw/zinc/31/74/77/564317477.db2.gz FEJSOPNMOWSWER-UHFFFAOYSA-N 0 0 391.190 2.569 20 5 GFBDRN COc1ccc(I)c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000509970269 564319855 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GFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[S@@](=O)C(C)(C)CC1 ZINC000451758761 564348601 /nfs/dbraw/zinc/34/86/01/564348601.db2.gz QGHQSIOVIUPGPU-JPQMIFPKSA-N 0 0 387.889 2.808 20 5 GFBDRN COc1ncc(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000451791923 564352559 /nfs/dbraw/zinc/35/25/59/564352559.db2.gz RSAQBFQORGQMQT-UHFFFAOYSA-N 0 0 385.829 2.747 20 5 GFBDRN CC(C)[C@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000451815916 564354964 /nfs/dbraw/zinc/35/49/64/564354964.db2.gz INFGVWROPLLPSS-BXUZGUMPSA-N 0 0 376.862 2.978 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CO)c1cccc(Cl)c1F ZINC000543621505 564356271 /nfs/dbraw/zinc/35/62/71/564356271.db2.gz RAPKZRYTUQOQDJ-GFCCVEGCSA-N 0 0 388.804 2.708 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC(CCCO)CC1 ZINC000543953103 564369523 /nfs/dbraw/zinc/36/95/23/564369523.db2.gz WPOPVSHVMAUSGI-UHFFFAOYSA-N 0 0 385.258 2.911 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CSC)cc1 ZINC000511396112 564370861 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2.657 20 5 GFBDRN CNC(=O)C1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544467063 564387063 /nfs/dbraw/zinc/38/70/63/564387063.db2.gz RIJDPICALGKKCY-UHFFFAOYSA-N 0 0 385.873 2.761 20 5 GFBDRN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(Br)cn1 ZINC000477806161 564389164 /nfs/dbraw/zinc/38/91/64/564389164.db2.gz KIJKBEXMGIFYED-VIFPVBQESA-N 0 0 382.218 2.561 20 5 GFBDRN CS(=O)(=O)c1ccc(NC[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000567894083 564394730 /nfs/dbraw/zinc/39/47/30/564394730.db2.gz KNEDTNQCIJJAFW-NSHDSACASA-N 0 0 380.447 2.964 20 5 GFBDRN CS(=O)(=O)c1ccc(NC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000567894082 564394840 /nfs/dbraw/zinc/39/48/40/564394840.db2.gz KNEDTNQCIJJAFW-LLVKDONJSA-N 0 0 380.447 2.964 20 5 GFBDRN COc1ccc(CSCC(=O)N[C@@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000544706468 564395460 /nfs/dbraw/zinc/39/54/60/564395460.db2.gz ZEZSKYQDYGPRLI-VIFPVBQESA-N 0 0 382.467 2.874 20 5 GFBDRN NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000512306117 564397592 /nfs/dbraw/zinc/39/75/92/564397592.db2.gz YIOFPJOVBBHUHL-CQSZACIVSA-N 0 0 392.209 2.704 20 5 GFBDRN O=[N+]([O-])c1ccc(Sc2nnnn2C[C@H]2CCCO2)c(Br)c1 ZINC000478351844 564400301 /nfs/dbraw/zinc/40/03/01/564400301.db2.gz GJDXRDQIUCATKA-SECBINFHSA-N 0 0 386.231 2.674 20 5 GFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000478422469 564401472 /nfs/dbraw/zinc/40/14/72/564401472.db2.gz UTIXPIKMJZCTRW-UHFFFAOYSA-N 0 0 378.431 2.899 20 5 GFBDRN CC(C)(C)OC(=O)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452622848 564423044 /nfs/dbraw/zinc/42/30/44/564423044.db2.gz AWSHUFZBHKFABW-UHFFFAOYSA-N 0 0 399.241 2.700 20 5 GFBDRN Cc1csc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000452744869 564428742 /nfs/dbraw/zinc/42/87/42/564428742.db2.gz MWIIZHAEAUSQGV-LBPRGKRZSA-N 0 0 379.463 2.947 20 5 GFBDRN NC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cn1 ZINC000545693803 564430668 /nfs/dbraw/zinc/43/06/68/564430668.db2.gz IFCCLIMJIVBRRB-UHFFFAOYSA-N 0 0 390.153 2.568 20 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/nfs/dbraw/zinc/45/26/83/564452683.db2.gz WVZJYHPMATYPBQ-UHFFFAOYSA-N 0 0 396.176 2.909 20 5 GFBDRN CC(C)(NC(=O)NCc1n[nH]cc1Br)c1ccccc1[N+](=O)[O-] ZINC000514703787 564454395 /nfs/dbraw/zinc/45/43/95/564454395.db2.gz MIPVLYVXNMMDLK-UHFFFAOYSA-N 0 0 382.218 2.815 20 5 GFBDRN Cc1sc(S(=O)(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000546644260 564464004 /nfs/dbraw/zinc/46/40/04/564464004.db2.gz NRQHZAVDIHWFDN-VIFPVBQESA-N 0 0 388.389 2.697 20 5 GFBDRN Cc1sc(S(=O)(=O)NCc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000546644421 564464103 /nfs/dbraw/zinc/46/41/03/564464103.db2.gz ZEEXVYQGMFPDAN-UHFFFAOYSA-N 0 0 378.435 2.695 20 5 GFBDRN CCN(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000569510082 564466433 /nfs/dbraw/zinc/46/64/33/564466433.db2.gz LZHHOBHGSFDSQN-UHFFFAOYSA-N 0 0 379.214 2.997 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000546790908 564468627 /nfs/dbraw/zinc/46/86/27/564468627.db2.gz QHAUGUXDVFVSAR-YPMHNXCESA-N 0 0 377.198 2.620 20 5 GFBDRN COC(=O)c1cc(F)c(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000569645475 564472106 /nfs/dbraw/zinc/47/21/06/564472106.db2.gz CHWADAGBZQOMBG-UHFFFAOYSA-N 0 0 398.144 2.930 20 5 GFBDRN Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)c(Br)c1 ZINC000547109754 564478048 /nfs/dbraw/zinc/47/80/48/564478048.db2.gz NYTFLDQQSGTOQX-UHFFFAOYSA-N 0 0 391.181 2.926 20 5 GFBDRN CC[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000453899647 564480346 /nfs/dbraw/zinc/48/03/46/564480346.db2.gz PIYISXHEVVPHCU-ZJUUUORDSA-N 0 0 384.230 2.767 20 5 GFBDRN Cc1cc(I)cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC000515509791 564480992 /nfs/dbraw/zinc/48/09/92/564480992.db2.gz WEBDJFCHYGTNRR-UHFFFAOYSA-N 0 0 398.160 2.745 20 5 GFBDRN COc1cccc(Cl)c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000480738244 564485788 /nfs/dbraw/zinc/48/57/88/564485788.db2.gz KSDUWCSLQQTGAC-UHFFFAOYSA-N 0 0 386.813 2.744 20 5 GFBDRN CCS[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000481084139 564503222 /nfs/dbraw/zinc/50/32/22/564503222.db2.gz UEGDOOACVVAJGT-QMMMGPOBSA-N 0 0 392.484 2.674 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000481503328 564514843 /nfs/dbraw/zinc/51/48/43/564514843.db2.gz CJZBCWBYHVJGJA-AULYBMBSSA-N 0 0 384.845 2.689 20 5 GFBDRN CNc1nccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000517040598 564522597 /nfs/dbraw/zinc/52/25/97/564522597.db2.gz SRRMHGPNJUZUKL-QWHCGFSZSA-N 0 0 391.225 2.502 20 5 GFBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccncc1Br ZINC000481926793 564527674 /nfs/dbraw/zinc/52/76/74/564527674.db2.gz VKIYVGPQYUTURH-UHFFFAOYSA-N 0 0 386.227 2.592 20 5 GFBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000548054382 564529319 /nfs/dbraw/zinc/52/93/19/564529319.db2.gz KNGMVKFMTVFKDX-UHFFFAOYSA-N 0 0 375.328 2.530 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1(CF)CCOCC1 ZINC000455402032 564552662 /nfs/dbraw/zinc/55/26/62/564552662.db2.gz NPHYJAWGLLXYAU-UHFFFAOYSA-N 0 0 376.182 2.998 20 5 GFBDRN Cc1ccc(Sc2nsc(NC(=O)c3cc([N+](=O)[O-])nn3C)n2)cc1 ZINC000483141182 564559555 /nfs/dbraw/zinc/55/95/55/564559555.db2.gz GLONYMHXQBVGBJ-UHFFFAOYSA-N 0 0 376.423 2.892 20 5 GFBDRN CCS[C@@H]1CCCCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455621910 564560403 /nfs/dbraw/zinc/56/04/03/564560403.db2.gz RTPSEKGJSSPMAM-GFCCVEGCSA-N 0 0 386.495 2.746 20 5 GFBDRN C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1cccs1 ZINC000455769574 564570673 /nfs/dbraw/zinc/57/06/73/564570673.db2.gz ZWOKHKZSCNRRRN-LLVKDONJSA-N 0 0 382.463 2.668 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nn(C)cc2Br)c1 ZINC000519155723 564571563 /nfs/dbraw/zinc/57/15/63/564571563.db2.gz ONXVZIVOFFKDHM-UHFFFAOYSA-N 0 0 389.231 2.508 20 5 GFBDRN CNc1nc(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000456033110 564584251 /nfs/dbraw/zinc/58/42/51/564584251.db2.gz OUAUOAOSPGIBRV-VIFPVBQESA-N 0 0 375.332 2.830 20 5 GFBDRN CS(=O)(=O)c1ccc(C(=O)NCC2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000456071577 564587124 /nfs/dbraw/zinc/58/71/24/564587124.db2.gz RJWAWPSURLAUCK-UHFFFAOYSA-N 0 0 376.381 2.554 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CSC1(C)C ZINC000549331071 564592011 /nfs/dbraw/zinc/59/20/11/564592011.db2.gz XPSXMJNKNAMXAD-ZDUSSCGKSA-N 0 0 384.479 2.874 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000456184600 564592466 /nfs/dbraw/zinc/59/24/66/564592466.db2.gz FNOIYJLRBOZMBQ-OCCSQVGLSA-N 0 0 386.495 2.501 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000456184595 564592758 /nfs/dbraw/zinc/59/27/58/564592758.db2.gz FNOIYJLRBOZMBQ-GXTWGEPZSA-N 0 0 386.495 2.501 20 5 GFBDRN O=C1NCCC[C@H]1SCc1cc(I)cc([N+](=O)[O-])c1 ZINC000520299197 564600801 /nfs/dbraw/zinc/60/08/01/564600801.db2.gz IEWGSJFFXOSOOK-LLVKDONJSA-N 0 0 392.218 2.711 20 5 GFBDRN O=C1[C@H](Nc2ncc([N+](=O)[O-])cc2Br)CCN1Cc1ccccc1 ZINC000485181314 564609185 /nfs/dbraw/zinc/60/91/85/564609185.db2.gz MDOKTCUHQNBTBK-CQSZACIVSA-N 0 0 391.225 2.965 20 5 GFBDRN COCCCN(CCOC)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550188144 564617451 /nfs/dbraw/zinc/61/74/51/564617451.db2.gz OUMNKVHZNNOTMJ-UHFFFAOYSA-N 0 0 389.246 2.791 20 5 GFBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000485594138 564621421 /nfs/dbraw/zinc/62/14/21/564621421.db2.gz OZUWJOQTTYAAFG-SECBINFHSA-N 0 0 386.246 2.733 20 5 GFBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485753581 564625221 /nfs/dbraw/zinc/62/52/21/564625221.db2.gz VQNOLOGRLULFTO-ZETCQYMHSA-N 0 0 392.275 2.794 20 5 GFBDRN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000456740762 564632583 /nfs/dbraw/zinc/63/25/83/564632583.db2.gz ZWILOKKWAXENKH-NSHDSACASA-N 0 0 397.225 2.840 20 5 GFBDRN CS(=O)(=O)c1cccc(NC[C@H](CO)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000521936413 564639487 /nfs/dbraw/zinc/63/94/87/564639487.db2.gz MRJVCODQGLSPIL-LLVKDONJSA-N 0 0 384.841 2.840 20 5 GFBDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486243709 564645674 /nfs/dbraw/zinc/64/56/74/564645674.db2.gz ZTBLFFVMYXHRRJ-ZYHUDNBSSA-N 0 0 383.495 2.747 20 5 GFBDRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000486242330 564645679 /nfs/dbraw/zinc/64/56/79/564645679.db2.gz NGPQMFUBPVERBR-LBPRGKRZSA-N 0 0 383.495 2.700 20 5 GFBDRN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1c(Cl)cccc1Cl ZINC000522386563 564651231 /nfs/dbraw/zinc/65/12/31/564651231.db2.gz ZAEHYQKBHKOMCK-JTQLQIEISA-N 0 0 384.219 2.983 20 5 GFBDRN Cc1cc(OCC(=O)N[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000486507708 564654897 /nfs/dbraw/zinc/65/48/97/564654897.db2.gz QPLFIOFTBBNFHB-SNVBAGLBSA-N 0 0 395.213 2.712 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cscn2)CC1 ZINC000522744918 564656050 /nfs/dbraw/zinc/65/60/50/564656050.db2.gz VOEQNCZSYSEANV-UHFFFAOYSA-N 0 0 380.857 2.592 20 5 GFBDRN CCC(CC)(CC(=O)OC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487122836 564676078 /nfs/dbraw/zinc/67/60/78/564676078.db2.gz GVOQRJAGTFSTBK-UHFFFAOYSA-N 0 0 378.834 2.648 20 5 GFBDRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000487109627 564676117 /nfs/dbraw/zinc/67/61/17/564676117.db2.gz AYIDMWDPGOAWOW-JTQLQIEISA-N 0 0 384.435 2.791 20 5 GFBDRN COCCN(Cc1scnc1C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000487361590 564684019 /nfs/dbraw/zinc/68/40/19/564684019.db2.gz DFJNAWGDHVZTPR-UHFFFAOYSA-N 0 0 391.496 2.567 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000487637974 564693152 /nfs/dbraw/zinc/69/31/52/564693152.db2.gz JROFQDLKJKKCMO-UHFFFAOYSA-N 0 0 384.223 2.731 20 5 GFBDRN O=C(N[C@H]1CC[S@](=O)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487963131 564700672 /nfs/dbraw/zinc/70/06/72/564700672.db2.gz PUYFRPBTWJUVPT-CANCMXDXSA-N 0 0 376.459 2.997 20 5 GFBDRN C[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488766735 564720116 /nfs/dbraw/zinc/72/01/16/564720116.db2.gz XRWLZKSFBJKPPB-GXSJLCMTSA-N 0 0 393.259 2.593 20 5 GFBDRN Cc1cc(S(=O)(=O)NC[C@H](CO)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000553571114 564727735 /nfs/dbraw/zinc/72/77/35/564727735.db2.gz FGVASHCXNPUXSU-GFCCVEGCSA-N 0 0 384.841 2.611 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCn1cc(Br)cn1 ZINC000553583766 564728407 /nfs/dbraw/zinc/72/84/07/564728407.db2.gz OXMZEMYYJLOQAW-UHFFFAOYSA-N 0 0 381.230 2.909 20 5 GFBDRN CC(C)SCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553892263 564743517 /nfs/dbraw/zinc/74/35/17/564743517.db2.gz WPNXYMAYTPQXNB-UHFFFAOYSA-N 0 0 383.289 2.777 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000553903159 564744526 /nfs/dbraw/zinc/74/45/26/564744526.db2.gz ZVTMJLITMFGURD-OAHLLOKOSA-N 0 0 384.841 2.959 20 5 GFBDRN C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[S@]1=O ZINC000459551755 564750705 /nfs/dbraw/zinc/75/07/05/564750705.db2.gz OXOFQDDKNHJJKS-PVBMHHQDSA-N 0 0 390.259 2.732 20 5 GFBDRN Cc1c(Br)c(N2CCC(Cn3cncn3)CC2)ncc1[N+](=O)[O-] ZINC000489945483 564758191 /nfs/dbraw/zinc/75/81/91/564758191.db2.gz JFRBPYYKQCXWJE-UHFFFAOYSA-N 0 0 381.234 2.569 20 5 GFBDRN Cc1sc(S(=O)(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000490460951 564772531 /nfs/dbraw/zinc/77/25/31/564772531.db2.gz MWJGYVJZZNOBRO-SECBINFHSA-N 0 0 388.389 2.695 20 5 GFBDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1OCCc2sccc21 ZINC000490510329 564775091 /nfs/dbraw/zinc/77/50/91/564775091.db2.gz RYRKIDHRVURECV-BJOHPYRUSA-N 0 0 386.426 2.776 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000490580456 564777318 /nfs/dbraw/zinc/77/73/18/564777318.db2.gz PIPSKCZXMXARTE-ZBEGNZNMSA-N 0 0 382.463 2.946 20 5 GFBDRN C[C@@H](C(=O)N(C)CCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000580975467 564782444 /nfs/dbraw/zinc/78/24/44/564782444.db2.gz VOCVVVPYYJKCEE-LLVKDONJSA-N 0 0 381.230 2.816 20 5 GFBDRN C[C@@H](Cc1ccc(Br)cc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000581104143 564787480 /nfs/dbraw/zinc/78/74/80/564787480.db2.gz JLOMTBPILUTZFM-JTQLQIEISA-N 0 0 376.214 2.865 20 5 GFBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Br)ccc2n1 ZINC000460983999 564787491 /nfs/dbraw/zinc/78/74/91/564787491.db2.gz VVGKVRIUTKBSDV-UHFFFAOYSA-N 0 0 389.209 2.864 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)[nH]c1 ZINC000461412092 564795977 /nfs/dbraw/zinc/79/59/77/564795977.db2.gz XZHYKDRNPASAMF-UHFFFAOYSA-N 0 0 399.144 2.861 20 5 GFBDRN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000555530230 564796892 /nfs/dbraw/zinc/79/68/92/564796892.db2.gz WQDKUQPXLQFZBF-UHFFFAOYSA-N 0 0 385.829 2.594 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000461629340 564801484 /nfs/dbraw/zinc/80/14/84/564801484.db2.gz RHQWRFINROUJKT-UHFFFAOYSA-N 0 0 390.197 2.867 20 5 GFBDRN C[C@H](Sc1nncn1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556480752 564827917 /nfs/dbraw/zinc/82/79/17/564827917.db2.gz OTMSVHGAUGOESF-ZETCQYMHSA-N 0 0 386.231 2.605 20 5 GFBDRN CC(C)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556512534 564829152 /nfs/dbraw/zinc/82/91/52/564829152.db2.gz JJOMZOALBVWXNH-CYBMUJFWSA-N 0 0 384.230 2.943 20 5 GFBDRN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494053 564843610 /nfs/dbraw/zinc/84/36/10/564843610.db2.gz XEBMJTSKESYLCR-PSASIEDQSA-N 0 0 382.269 2.663 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462523664 564845441 /nfs/dbraw/zinc/84/54/41/564845441.db2.gz FJVPYWAXWPEOKC-VXGBXAGGSA-N 0 0 394.280 2.807 20 5 GFBDRN CC[C@]1(O)CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694576 564857236 /nfs/dbraw/zinc/85/72/36/564857236.db2.gz XGNVUPIMCAPLMA-ZDUSSCGKSA-N 0 0 376.194 2.546 20 5 GFBDRN Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1I ZINC000557480887 564864249 /nfs/dbraw/zinc/86/42/49/564864249.db2.gz GEKJSRQOXINLTE-UHFFFAOYSA-N 0 0 398.160 2.568 20 5 GFBDRN O=C1CN(c2ccc(Nc3c(Cl)cc(Cl)cc3[N+](=O)[O-])cn2)CCN1 ZINC000557588535 564868747 /nfs/dbraw/zinc/86/87/47/564868747.db2.gz MSIYEWYRAGKAQX-UHFFFAOYSA-N 0 0 382.207 2.976 20 5 GFBDRN COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000463090228 564870190 /nfs/dbraw/zinc/87/01/90/564870190.db2.gz GPQYWLIOBQLLTI-GZMMTYOYSA-N 0 0 380.344 2.686 20 5 GFBDRN Cc1c(Br)c(NC[C@@](C)(O)C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC000463567087 564884320 /nfs/dbraw/zinc/88/43/20/564884320.db2.gz KUZLADKASVQEKF-CQSZACIVSA-N 0 0 390.234 2.565 20 5 GFBDRN CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498583773 564903712 /nfs/dbraw/zinc/90/37/12/564903712.db2.gz MMFNAZLNYMFZNT-ZJUUUORDSA-N 0 0 385.136 2.789 20 5 GFBDRN Cc1c(Br)cc(C(=O)N=c2cc(C3CC3)n(C)[nH]2)cc1[N+](=O)[O-] ZINC000558585946 564907806 /nfs/dbraw/zinc/90/78/06/564907806.db2.gz ADROVJBSUVAYLP-UHFFFAOYSA-N 0 0 379.214 2.951 20 5 GFBDRN O=C(NC[C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC000532128111 564929885 /nfs/dbraw/zinc/92/98/85/564929885.db2.gz ZRACXBBUPGVOLT-CYBMUJFWSA-N 0 0 393.237 2.938 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)NC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000532113008 564930094 /nfs/dbraw/zinc/93/00/94/564930094.db2.gz LYHWVDCOPLZSHT-UHFFFAOYSA-N 0 0 375.244 2.887 20 5 GFBDRN CC[C@@H](C)CS(=O)(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000500063215 564943936 /nfs/dbraw/zinc/94/39/36/564943936.db2.gz YNDKXGVBLVFHMS-SNVBAGLBSA-N 0 0 383.392 2.991 20 5 GFBDRN Cc1c(Br)cc(C(=O)NC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532799293 564946509 /nfs/dbraw/zinc/94/65/09/564946509.db2.gz ZRWFVOCBRYIAQU-NSHDSACASA-N 0 0 397.225 2.840 20 5 GFBDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000500169200 564947919 /nfs/dbraw/zinc/94/79/19/564947919.db2.gz QOUYKBQSXKLLQU-SNVBAGLBSA-N 0 0 379.214 2.527 20 5 GFBDRN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000500249501 564949310 /nfs/dbraw/zinc/94/93/10/564949310.db2.gz GKRAWOQYMFRWKJ-UHFFFAOYSA-N 0 0 395.213 2.752 20 5 GFBDRN CC(C)(C)OC(=O)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466930286 564950021 /nfs/dbraw/zinc/95/00/21/564950021.db2.gz XPNWLRXTVLUGHE-UHFFFAOYSA-N 0 0 378.834 2.648 20 5 GFBDRN C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000533092626 564954500 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C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501282225 564975199 /nfs/dbraw/zinc/97/51/99/564975199.db2.gz HCZKGSMRJDTXII-SECBINFHSA-N 0 0 384.230 2.991 20 5 GFBDRN CC(C)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nncn1C ZINC000561056014 564982550 /nfs/dbraw/zinc/98/25/50/564982550.db2.gz LVGAJANANZCNQC-AWEZNQCLSA-N 0 0 396.245 2.542 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1F ZINC000468548679 564985940 /nfs/dbraw/zinc/98/59/40/564985940.db2.gz PVEJHJNDZTVORF-UHFFFAOYSA-N 0 0 388.760 2.975 20 5 GFBDRN COc1ccnc(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000502019123 564990243 /nfs/dbraw/zinc/99/02/43/564990243.db2.gz SIEUJFPSECSVGG-UHFFFAOYSA-N 0 0 380.198 2.999 20 5 GFBDRN Cc1cc(F)c(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1F ZINC000502135532 564992588 /nfs/dbraw/zinc/99/25/88/564992588.db2.gz LCRBMMWIBPTKGZ-UHFFFAOYSA-N 0 0 387.136 2.989 20 5 GFBDRN CCOC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000502365396 564996659 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C[C@@H](NS(=O)(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505040650 565047764 /nfs/dbraw/zinc/04/77/64/565047764.db2.gz WFECOKIRFFZRLY-SECBINFHSA-N 0 0 380.407 2.746 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000470725400 565054430 /nfs/dbraw/zinc/05/44/30/565054430.db2.gz GKMQTMZYOHRIPK-UHFFFAOYSA-N 0 0 382.463 2.915 20 5 GFBDRN Cc1cc(I)cn(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000537347617 565057178 /nfs/dbraw/zinc/05/71/78/565057178.db2.gz NHMCISURGZTFLR-UHFFFAOYSA-N 0 0 398.156 2.552 20 5 GFBDRN COc1ccc(OCCn2cc(Br)cc(F)c2=O)c([N+](=O)[O-])c1 ZINC000584773341 565096151 /nfs/dbraw/zinc/09/61/51/565096151.db2.gz XBXGLOBUJXGESX-UHFFFAOYSA-N 0 0 387.161 2.746 20 5 GFBDRN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H](n2cncn2)C1 ZINC000614413973 565112439 /nfs/dbraw/zinc/11/24/39/565112439.db2.gz SGIZLSSJUHHJIG-NSHDSACASA-N 0 0 389.213 2.948 20 5 GFBDRN CC(C)NS(=O)(=O)[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000588003506 565122009 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ZINC000592109455 565258031 /nfs/dbraw/zinc/25/80/31/565258031.db2.gz BGYKFTOXVZAOID-GZMMTYOYSA-N 0 0 395.300 2.838 20 5 GFBDRN CCN(CCSC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000592317586 565268180 /nfs/dbraw/zinc/26/81/80/565268180.db2.gz BUURZPDVSONWAK-UHFFFAOYSA-N 0 0 390.259 2.507 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592808304 565298460 /nfs/dbraw/zinc/29/84/60/565298460.db2.gz HBHOZOSICGYPPV-JTQLQIEISA-N 0 0 390.184 2.523 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000618701114 565311904 /nfs/dbraw/zinc/31/19/04/565311904.db2.gz FKSCODDFVNRRCX-UHFFFAOYSA-N 0 0 388.808 2.610 20 5 GFBDRN CCN1C[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1=O ZINC000593208825 565320701 /nfs/dbraw/zinc/32/07/01/565320701.db2.gz ZJMUOBIYNGURNZ-JTQLQIEISA-N 0 0 399.245 2.656 20 5 GFBDRN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593533821 565338131 /nfs/dbraw/zinc/33/81/31/565338131.db2.gz WJMCCVDQKTULRB-UHFFFAOYSA-N 0 0 385.829 2.733 20 5 GFBDRN Cc1c(NCC(=O)N2CCOC[C@@H]2C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000619526296 565347091 /nfs/dbraw/zinc/34/70/91/565347091.db2.gz SBOAKJRBDGAKEJ-OAHLLOKOSA-N 0 0 398.257 2.715 20 5 GFBDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000619587440 565350413 /nfs/dbraw/zinc/35/04/13/565350413.db2.gz DQRRSEQANQZLQD-OLZOCXBDSA-N 0 0 392.275 2.630 20 5 GFBDRN O=[N+]([O-])c1ncccc1Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000619590503 565350584 /nfs/dbraw/zinc/35/05/84/565350584.db2.gz GLUFQTSHARSFIK-UHFFFAOYSA-N 0 0 380.202 2.728 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593643645 565351757 /nfs/dbraw/zinc/35/17/57/565351757.db2.gz YGXUBIZVCIIBLG-MWLCHTKSSA-N 0 0 393.259 2.545 20 5 GFBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000619729978 565356746 /nfs/dbraw/zinc/35/67/46/565356746.db2.gz JLFUCAXPBJJPDL-LLVKDONJSA-N 0 0 377.388 2.782 20 5 GFBDRN COC1CC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594788490 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383.364 2.708 20 5 GFBDRN Cc1ccnc(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000737435791 599054972 /nfs/dbraw/zinc/05/49/72/599054972.db2.gz CREGDDUNNRIEIU-UHFFFAOYSA-N 0 0 381.396 2.526 20 5 GFBDRN O=C(CSc1ccc(-c2nn[nH]n2)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000737948270 599067132 /nfs/dbraw/zinc/06/71/32/599067132.db2.gz RORMXMAUQXNCLM-UHFFFAOYSA-N 0 0 392.347 2.784 20 5 GFBDRN CN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821618108 599077546 /nfs/dbraw/zinc/07/75/46/599077546.db2.gz QLRNXTZZLGDHOF-UHFFFAOYSA-N 0 0 390.407 2.656 20 5 GFBDRN CC(C)Oc1cccc([C@@H](O)CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000735912891 599205339 /nfs/dbraw/zinc/20/53/39/599205339.db2.gz JAUDNMFVHNRPQI-KRWDZBQOSA-N 0 0 384.396 2.708 20 5 GFBDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000735660745 598489325 /nfs/dbraw/zinc/48/93/25/598489325.db2.gz OTDXRHHZDVUYCV-UHFFFAOYSA-N 0 0 399.411 2.739 20 5 GFBDRN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Oc1cc(F)cc([N+](=O)[O-])c1 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BJPIXHAWBWKCEX-JTQLQIEISA-N 0 0 386.799 2.848 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822271110 599623827 /nfs/dbraw/zinc/62/38/27/599623827.db2.gz MVPGZFTWOAHYDT-GFCCVEGCSA-N 0 0 383.364 2.708 20 5 GFBDRN Cc1sc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000822557357 599628624 /nfs/dbraw/zinc/62/86/24/599628624.db2.gz HVYDXECCPDYFMA-UHFFFAOYSA-N 0 0 387.425 2.528 20 5 GFBDRN CO[C@@]1(C)C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821678617 599688412 /nfs/dbraw/zinc/68/84/12/599688412.db2.gz QCKJZRMJLBKTKB-KSSFIOAISA-N 0 0 383.412 2.939 20 5 GFBDRN CC(C)Oc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000820165970 607402148 /nfs/dbraw/zinc/40/21/48/607402148.db2.gz TVWJXWDAFCXDRA-UHFFFAOYSA-N 0 0 382.380 2.743 20 5 GFBDRN COc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000821703122 607407276 /nfs/dbraw/zinc/40/72/76/607407276.db2.gz PPUDEMFKTZWYJV-UHFFFAOYSA-N 0 0 398.379 2.823 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826253321 607413379 /nfs/dbraw/zinc/41/33/79/607413379.db2.gz MDFNDSRHDZGPMM-UHFFFAOYSA-N 0 0 383.364 2.596 20 5 GFBDRN COc1ccc(-n2ccc(CNc3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)n2)cc1 ZINC000826186585 607451541 /nfs/dbraw/zinc/45/15/41/607451541.db2.gz AOXOTFDCHHKHIM-UHFFFAOYSA-N 0 0 392.379 2.581 20 5 GFBDRN O=[N+]([O-])c1ccc(NCc2cccc(Cn3cccn3)c2)cc1-c1nn[nH]n1 ZINC000826499056 607453250 /nfs/dbraw/zinc/45/32/50/607453250.db2.gz UDLXLXQUJPDUKB-UHFFFAOYSA-N 0 0 376.380 2.632 20 5 GFBDRN C[C@@H]1C[NH+](CCCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000828451623 601591773 /nfs/dbraw/zinc/59/17/73/601591773.db2.gz VCZYANRNKRVAJS-JHSOUAKNSA-N 0 0 377.441 2.994 20 5 GFBDRN CC(C)CCO[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000824249485 607524310 /nfs/dbraw/zinc/52/43/10/607524310.db2.gz ONOXMEAMEXBRBN-VIFPVBQESA-N 0 0 382.808 2.818 20 5 GFBDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826408128 607594956 /nfs/dbraw/zinc/59/49/56/607594956.db2.gz QUOKQVITCRZACZ-UHFFFAOYSA-N 0 0 392.419 2.899 20 5 GFBDRN CCc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000825704430 607610584 /nfs/dbraw/zinc/61/05/84/607610584.db2.gz HXYQOEWROFUINJ-UHFFFAOYSA-N 0 0 383.364 2.703 20 5 GFBDRN CCOCC[N@@H+]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000830011786 604263173 /nfs/dbraw/zinc/26/31/73/604263173.db2.gz NZAAUECGYSHHED-GFCCVEGCSA-N 0 0 385.848 2.884 20 5 GFBDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826244186 607711906 /nfs/dbraw/zinc/71/19/06/607711906.db2.gz JMGSKTRVFGZUJW-UHFFFAOYSA-N 0 0 378.392 2.888 20 5 GFBDRN C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833614914 605020010 /nfs/dbraw/zinc/02/00/10/605020010.db2.gz XJCXBVNNHNNEGM-ZDUSSCGKSA-N 0 0 395.481 2.623 20 5 GFBDRN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000834177081 605440060 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IUBHIQCDVZGPIH-UHFFFAOYSA-N 0 0 397.395 2.719 20 5 GFBDRN COc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccc1Br ZINC000821723485 606715376 /nfs/dbraw/zinc/71/53/76/606715376.db2.gz AYPKFVVPWJMQSJ-UHFFFAOYSA-N 0 0 392.173 2.685 20 5 GFBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c(OCC2CC2)c1 ZINC000822238737 606725032 /nfs/dbraw/zinc/72/50/32/606725032.db2.gz SEMSTMPPULVGGC-UHFFFAOYSA-N 0 0 381.396 2.879 20 5 GFBDRN C[C@H](COc1cccc(-c2nn[nH]n2)c1)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000820294414 606748878 /nfs/dbraw/zinc/74/88/78/606748878.db2.gz SGWFKHPRHRJHGV-CYBMUJFWSA-N 0 0 397.391 2.718 20 5 GFBDRN CCOC(=O)c1ccnc(Oc2cc(Cl)ccc2-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821342454 606788988 /nfs/dbraw/zinc/78/89/88/606788988.db2.gz CLYGBWPYNJCESI-UHFFFAOYSA-N 0 0 390.743 2.792 20 5 GFBDRN O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000823417696 607079721 /nfs/dbraw/zinc/07/97/21/607079721.db2.gz FQERKLOSZZLEBR-UHFFFAOYSA-N 0 0 382.311 2.752 20 5 GFBDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC2(CC1)OCc1ccccc12 ZINC000823629567 607120325 /nfs/dbraw/zinc/12/03/25/607120325.db2.gz ADLNKAMWGKIUNS-UHFFFAOYSA-N 0 0 378.392 2.801 20 5 GFBDRN COc1cc(-c2nn[nH]n2)ccc1OCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000821702252 607158434 /nfs/dbraw/zinc/15/84/34/607158434.db2.gz NEPVFYJYTLFJRP-UHFFFAOYSA-N 0 0 391.771 2.895 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Sc1nnc2sc3ccccc3n12 ZINC000823629897 607166568 /nfs/dbraw/zinc/16/65/68/607166568.db2.gz LEJPPOHFWRSTPN-UHFFFAOYSA-N 0 0 397.405 2.579 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826272525 607863489 /nfs/dbraw/zinc/86/34/89/607863489.db2.gz OIJMIHGNXVEBRT-UHFFFAOYSA-N 0 0 388.771 2.754 20 5 GFBDRN Cc1ccc(OCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)cc1[N+](=O)[O-] ZINC000826292225 607863675 /nfs/dbraw/zinc/86/36/75/607863675.db2.gz LYCRAJFKAFBVCJ-UHFFFAOYSA-N 0 0 379.336 2.712 20 5 GFBDRN CC(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC000823972726 607937193 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376.380 2.847 20 5 GFBDRN C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824489652 608422563 /nfs/dbraw/zinc/42/25/63/608422563.db2.gz MOSRAAQJTXMFBC-GFCCVEGCSA-N 0 0 381.396 2.678 20 5 GFBDRN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625413 608489780 /nfs/dbraw/zinc/48/97/80/608489780.db2.gz HLGSOCVEWZDKPM-LLVKDONJSA-N 0 0 392.379 2.676 20 5 GFBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1cnccc1-c1nn[nH]n1 ZINC000826497677 608770625 /nfs/dbraw/zinc/77/06/25/608770625.db2.gz PSSITFXSWQHPAR-UHFFFAOYSA-N 0 0 394.317 2.713 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000826272508 609163604 /nfs/dbraw/zinc/16/36/04/609163604.db2.gz NJICKJTYLGSKIF-TWGQIWQCSA-N 0 0 395.375 2.719 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826185201 609317023 /nfs/dbraw/zinc/31/70/23/609317023.db2.gz BTYHPOXTUULEPO-UHFFFAOYSA-N 0 0 390.306 2.514 20 5 GFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826263934 609384769 /nfs/dbraw/zinc/38/47/69/609384769.db2.gz WKHLHGPHTXVNAL-UHFFFAOYSA-N 0 0 395.423 2.835 20 5 GFBDRN C[C@H]1C[C@H](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884634 609596663 /nfs/dbraw/zinc/59/66/63/609596663.db2.gz OTRAOCQWJCMQAI-NWDGAFQWSA-N 0 0 383.412 2.940 20 5 GFBDRN CCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000541438329 650876166 /nfs/dbraw/zinc/87/61/66/650876166.db2.gz AAULWRURTZFURX-UHFFFAOYSA-N 0 0 384.801 2.879 20 5 GFBDRN Cc1c(Br)c(NC[C@H](O)COc2ccccc2)ncc1[N+](=O)[O-] ZINC000541591447 650878559 /nfs/dbraw/zinc/87/85/59/650878559.db2.gz DQPMWSNBBIRRJT-NSHDSACASA-N 0 0 382.214 2.913 20 5 GFBDRN O=C(NC[C@H]1CC12CCSCC2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817392353 660193210 /nfs/dbraw/zinc/19/32/10/660193210.db2.gz ONDUBLUVXNWBKW-SNVBAGLBSA-N 0 0 383.857 2.836 20 5 GFBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(OC)OC ZINC000819504411 660260655 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CCCCn1nnnc1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000750616021 655815755 /nfs/dbraw/zinc/81/57/55/655815755.db2.gz MUKXDUDONCMIDW-UHFFFAOYSA-N 0 0 395.261 2.702 20 5 GFBDRN C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750965918 655819254 /nfs/dbraw/zinc/81/92/54/655819254.db2.gz SMYBIBUPMSOZGM-JTQLQIEISA-N 0 0 385.214 2.915 20 5 GFBDRN NC(=O)c1cccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000750966177 655819405 /nfs/dbraw/zinc/81/94/05/655819405.db2.gz QUHUMSHSCXWROS-UHFFFAOYSA-N 0 0 379.166 2.813 20 5 GFBDRN COC(=O)c1nc(Cl)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000751022019 655820441 /nfs/dbraw/zinc/82/04/41/655820441.db2.gz XMXYYTVZBDCEHF-UHFFFAOYSA-N 0 0 386.769 2.506 20 5 GFBDRN COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)oc1C ZINC000751119728 655821768 /nfs/dbraw/zinc/82/17/68/655821768.db2.gz GSZZRANHVOFBGT-UHFFFAOYSA-N 0 0 375.742 2.704 20 5 GFBDRN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751489058 655829790 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Cc1cc(Br)ccc1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000438996135 563715267 /nfs/dbraw/zinc/71/52/67/563715267.db2.gz DDJWDFKSAUBYMN-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN CNS(=O)(=O)c1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000439126036 563717425 /nfs/dbraw/zinc/71/74/25/563717425.db2.gz YYCPPZYCGDOKKI-UHFFFAOYSA-N 0 0 383.813 2.717 20 5 GFBDRN Cn1cnc([N+](=O)[O-])c1CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000363311433 563718787 /nfs/dbraw/zinc/71/87/87/563718787.db2.gz WTXJFHNBQPLUAV-CQSZACIVSA-N 0 0 381.230 2.664 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000439234934 563720736 /nfs/dbraw/zinc/72/07/36/563720736.db2.gz JNHZVTQUSWMWOW-UHFFFAOYSA-N 0 0 391.165 2.978 20 5 GFBDRN Cc1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)n1 ZINC000363434409 563722949 /nfs/dbraw/zinc/72/29/49/563722949.db2.gz BWZKFXQMFKABOS-JTQLQIEISA-N 0 0 380.451 2.912 20 5 GFBDRN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nnc[nH]2)CC1 ZINC000363724621 563731804 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384.410 2.832 20 5 GFBDRN COC(=O)[C@@H]1CSCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414569843 563747170 /nfs/dbraw/zinc/74/71/70/563747170.db2.gz PXMIVTWVZWKFTF-NSHDSACASA-N 0 0 376.381 2.534 20 5 GFBDRN O=C(c1ccc(Br)cc1O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364325534 563749904 /nfs/dbraw/zinc/74/99/04/563749904.db2.gz QNAFAHDJEXGQGR-LLVKDONJSA-N 0 0 395.213 2.737 20 5 GFBDRN O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364358005 563750753 /nfs/dbraw/zinc/75/07/53/563750753.db2.gz HPNYATQYBQORQY-CQSZACIVSA-N 0 0 393.241 2.960 20 5 GFBDRN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000291993103 563768271 /nfs/dbraw/zinc/76/82/71/563768271.db2.gz UBPIRKGXZQPSTN-MEDUHNTESA-N 0 0 382.463 2.778 20 5 GFBDRN COC(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292191666 563777715 /nfs/dbraw/zinc/77/77/15/563777715.db2.gz HACJKIJMNIXYGT-UHFFFAOYSA-N 0 0 376.196 2.862 20 5 GFBDRN O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365614703 563788941 /nfs/dbraw/zinc/78/89/41/563788941.db2.gz HXVNPWUMBDTCJW-PELKAZGASA-N 0 0 399.222 2.643 20 5 GFBDRN O=C(NC[C@]1(O)CCc2ccccc21)c1sc(Br)cc1[N+](=O)[O-] ZINC000365769397 563793068 /nfs/dbraw/zinc/79/30/68/563793068.db2.gz MKMFJSVLOCWRCO-OAHLLOKOSA-N 0 0 397.250 2.983 20 5 GFBDRN C[C@H]1OCC[C@@]12CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C[C@@H](C)O2 ZINC000365766011 563793201 /nfs/dbraw/zinc/79/32/01/563793201.db2.gz OAZQLIDHDQERIF-GLKRBJQHSA-N 0 0 399.241 2.766 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000443302488 563799712 /nfs/dbraw/zinc/79/97/12/563799712.db2.gz DNCMUZOMDDASKW-CQSZACIVSA-N 0 0 376.862 2.858 20 5 GFBDRN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000366327234 563805308 /nfs/dbraw/zinc/80/53/08/563805308.db2.gz YIZSOXRYWCPLSP-ZETCQYMHSA-N 0 0 383.177 2.507 20 5 GFBDRN CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416418776 563826664 /nfs/dbraw/zinc/82/66/64/563826664.db2.gz SDHWLDPIASAKTC-XACMVJRISA-N 0 0 388.511 2.570 20 5 GFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Br)cc1C(F)(F)F ZINC000444414826 563831079 /nfs/dbraw/zinc/83/10/79/563831079.db2.gz ROHMUSYJVBJVRR-UHFFFAOYSA-N 0 0 394.107 2.606 20 5 GFBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000367128725 563831751 /nfs/dbraw/zinc/83/17/51/563831751.db2.gz GBWHREPUBZADEL-UHFFFAOYSA-N 0 0 376.166 2.956 20 5 GFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Br)ccc1O ZINC000444636954 563834777 /nfs/dbraw/zinc/83/47/77/563834777.db2.gz OUAFMFLIWPMLAV-UHFFFAOYSA-N 0 0 391.181 2.869 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCO[C@H](c3ccco3)C2)c1 ZINC000367226636 563836830 /nfs/dbraw/zinc/83/68/30/563836830.db2.gz XGSNQLDUIQXXRC-LBPRGKRZSA-N 0 0 390.776 2.743 20 5 GFBDRN Cc1c(Br)c(N[C@@H]2CCCN(c3ccnn3C)C2)ncc1[N+](=O)[O-] ZINC000444867280 563838475 /nfs/dbraw/zinc/83/84/75/563838475.db2.gz BXEORFJEMHCITO-LLVKDONJSA-N 0 0 395.261 2.875 20 5 GFBDRN CN1C(=S)N=NC1CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294357842 563839634 /nfs/dbraw/zinc/83/96/34/563839634.db2.gz YTPCAKMEQKRLCF-UHFFFAOYSA-N 0 0 390.252 2.681 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000367396923 563842785 /nfs/dbraw/zinc/84/27/85/563842785.db2.gz OOZQYXXJNZJIPL-CYBMUJFWSA-N 0 0 393.241 2.938 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000416535521 563844301 /nfs/dbraw/zinc/84/43/01/563844301.db2.gz JGOAZWLBHXDHHX-VIFPVBQESA-N 0 0 383.451 2.588 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(CSC)c1 ZINC000445760897 563854273 /nfs/dbraw/zinc/85/42/73/563854273.db2.gz VSHSVMMTBGPNPD-UHFFFAOYSA-N 0 0 382.463 2.945 20 5 GFBDRN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000416634271 563856041 /nfs/dbraw/zinc/85/60/41/563856041.db2.gz YSLPRJLJTZUKJC-ZWNOBZJWSA-N 0 0 384.376 2.687 20 5 GFBDRN C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1cccc([N+](=O)[O-])c1 ZINC000446027458 563856819 /nfs/dbraw/zinc/85/68/19/563856819.db2.gz XMFCLMUGJZXRCA-SECBINFHSA-N 0 0 380.198 2.878 20 5 GFBDRN O=[N+]([O-])c1ccccc1CSCc1nnnn1CCOCC(F)(F)F ZINC000446691918 563867601 /nfs/dbraw/zinc/86/76/01/563867601.db2.gz DWYVTZFITKSDBP-UHFFFAOYSA-N 0 0 377.348 2.594 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccsc2)c(Br)c1 ZINC000447029177 563872632 /nfs/dbraw/zinc/87/26/32/563872632.db2.gz QAPFBYNKAOIPSO-UHFFFAOYSA-N 0 0 377.241 2.897 20 5 GFBDRN C[C@]1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)OCCc2sccc21 ZINC000368682472 563877088 /nfs/dbraw/zinc/87/70/88/563877088.db2.gz JHAVRRXEBBHVIA-MRXNPFEDSA-N 0 0 382.463 2.564 20 5 GFBDRN Cn1c(Cl)cnc1CN1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000369224835 563890067 /nfs/dbraw/zinc/89/00/67/563890067.db2.gz HBWMMPSFLYGRHZ-UHFFFAOYSA-N 0 0 385.255 2.742 20 5 GFBDRN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447935135 563891260 /nfs/dbraw/zinc/89/12/60/563891260.db2.gz DPQZVNBHHYUHIS-CYBMUJFWSA-N 0 0 375.878 2.647 20 5 GFBDRN C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000448103859 563893774 /nfs/dbraw/zinc/89/37/74/563893774.db2.gz XWEIZNIIUYWYSG-JTQLQIEISA-N 0 0 381.435 2.725 20 5 GFBDRN C[C@]1(O)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000471077717 564184576 /nfs/dbraw/zinc/18/45/76/564184576.db2.gz GPQBYCISQPVUPR-HNNXBMFYSA-N 0 0 386.246 2.533 20 5 GFBDRN COc1ccc(C(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)cc1Br ZINC000471494789 564195522 /nfs/dbraw/zinc/19/55/22/564195522.db2.gz DRGZSBWLZAAUDR-UHFFFAOYSA-N 0 0 381.182 2.719 20 5 GFBDRN O=C(Cn1ccc(C(F)(F)F)n1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538695953 564196958 /nfs/dbraw/zinc/19/69/58/564196958.db2.gz OCMUKSJWMGZWPO-UHFFFAOYSA-N 0 0 376.722 2.822 20 5 GFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(=O)[nH]1 ZINC000471625255 564200750 /nfs/dbraw/zinc/20/07/50/564200750.db2.gz BOSDFLSLPXLIFW-UHFFFAOYSA-N 0 0 376.316 2.618 20 5 GFBDRN CC(C)S(=O)(=O)CC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000539353443 564216882 /nfs/dbraw/zinc/21/68/82/564216882.db2.gz KNZTZJVFKOQODX-UHFFFAOYSA-N 0 0 383.451 2.504 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(CCO)c1ccc(F)cc1F ZINC000539943354 564233375 /nfs/dbraw/zinc/23/33/75/564233375.db2.gz MNSTUVNRBBKZMQ-UHFFFAOYSA-N 0 0 392.767 2.714 20 5 GFBDRN NS(=O)(=O)c1cc(N[C@H]2CCO[C@@H](c3cccs3)C2)cc([N+](=O)[O-])c1 ZINC000450870035 564251985 /nfs/dbraw/zinc/25/19/85/564251985.db2.gz YQFOMDQIFMRBPZ-IINYFYTJSA-N 0 0 383.451 2.636 20 5 GFBDRN COc1c(S(=O)(=O)NC(C)(C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000508109171 564254850 /nfs/dbraw/zinc/25/48/50/564254850.db2.gz IMJYNKDMGYTKDT-UHFFFAOYSA-N 0 0 381.248 2.751 20 5 GFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000540897238 564259142 /nfs/dbraw/zinc/25/91/42/564259142.db2.gz ZFPIDUXBTYPNNS-HNNXBMFYSA-N 0 0 395.209 2.586 20 5 GFBDRN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000450993643 564261314 /nfs/dbraw/zinc/26/13/14/564261314.db2.gz ATAUNYZWZFGFGV-GFCCVEGCSA-N 0 0 377.413 2.752 20 5 GFBDRN C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000565116589 564266498 /nfs/dbraw/zinc/26/64/98/564266498.db2.gz GGKQNAKUFPSIGB-NXEZZACHSA-N 0 0 384.230 2.943 20 5 GFBDRN Cc1ccccc1OC[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000541261493 564271700 /nfs/dbraw/zinc/27/17/00/564271700.db2.gz WESLHLHEZBSQCQ-GFCCVEGCSA-N 0 0 397.225 2.576 20 5 GFBDRN Cc1c(Br)c(=O)n(CC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000541291286 564273547 /nfs/dbraw/zinc/27/35/47/564273547.db2.gz UYMCEMXORUCJTC-UHFFFAOYSA-N 0 0 384.161 2.605 20 5 GFBDRN CCOC(=O)[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000541311082 564273904 /nfs/dbraw/zinc/27/39/04/564273904.db2.gz HLAOEGPQWMBXCI-JTQLQIEISA-N 0 0 378.472 2.693 20 5 GFBDRN COc1ccc(S(=O)(=O)N[C@H]2COc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474305941 564274269 /nfs/dbraw/zinc/27/42/69/564274269.db2.gz OJMJBFWZTOOBSB-LBPRGKRZSA-N 0 0 384.797 2.669 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1noc(-c2cccs2)n1 ZINC000474360612 564276365 /nfs/dbraw/zinc/27/63/65/564276365.db2.gz XJQKVXVXDGIWEB-UHFFFAOYSA-N 0 0 383.183 2.679 20 5 GFBDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CCCS(=O)(=O)C1 ZINC000565357089 564277045 /nfs/dbraw/zinc/27/70/45/564277045.db2.gz PYAKJRIBGNKWBJ-ZETCQYMHSA-N 0 0 389.302 2.633 20 5 GFBDRN CN(Cc1ccc(Cl)s1)C(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509145789 564283596 /nfs/dbraw/zinc/28/35/96/564283596.db2.gz DAPDCKJGARYACF-UHFFFAOYSA-N 0 0 388.854 2.742 20 5 GFBDRN CCOC(=O)C1([S@@](C)=O)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451206041 564286246 /nfs/dbraw/zinc/28/62/46/564286246.db2.gz BXGGUDGTCTYIHC-RUZDIDTESA-N 0 0 388.873 2.524 20 5 GFBDRN O=C(NCCC1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000565649306 564290353 /nfs/dbraw/zinc/29/03/53/564290353.db2.gz BTZMEDYBTUIUFZ-UHFFFAOYSA-N 0 0 384.230 2.992 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000541829536 564291634 /nfs/dbraw/zinc/29/16/34/564291634.db2.gz HMLTTXLJZUUVID-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN NC(=O)c1ccnc(Sc2nnc(-c3cccc(Cl)c3)o2)c1[N+](=O)[O-] ZINC000565748296 564293542 /nfs/dbraw/zinc/29/35/42/564293542.db2.gz HRSQWPHHWGUKGO-UHFFFAOYSA-N 0 0 377.769 2.943 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c(F)cccc2N2CCCC2)s1 ZINC000509641528 564306934 /nfs/dbraw/zinc/30/69/34/564306934.db2.gz IBSYXQUPUHKIJF-UHFFFAOYSA-N 0 0 385.442 2.874 20 5 GFBDRN Cn1cc(Br)c(=O)c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000542737860 564323103 /nfs/dbraw/zinc/32/31/03/564323103.db2.gz JPYLVXFYBQGXPH-UHFFFAOYSA-N 0 0 391.181 2.790 20 5 GFBDRN Cc1c(NC(=O)C(=O)N2CCC[C@H](F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000566353657 564325067 /nfs/dbraw/zinc/32/50/67/564325067.db2.gz KRLOCVMRHSXOKG-JTQLQIEISA-N 0 0 388.193 2.565 20 5 GFBDRN Cc1nnc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)s1 ZINC000542797549 564326597 /nfs/dbraw/zinc/32/65/97/564326597.db2.gz KJDKUKHVOXLQOM-UHFFFAOYSA-N 0 0 378.801 2.566 20 5 GFBDRN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000542837594 564328736 /nfs/dbraw/zinc/32/87/36/564328736.db2.gz RKMGXOLEXLSAMW-SNVBAGLBSA-N 0 0 395.213 2.763 20 5 GFBDRN CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000543118590 564338352 /nfs/dbraw/zinc/33/83/52/564338352.db2.gz ZQWWKGLXIAMSKA-HIFRSBDPSA-N 0 0 386.495 2.501 20 5 GFBDRN COc1ccc(OC)c(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)c1 ZINC000543147190 564339357 /nfs/dbraw/zinc/33/93/57/564339357.db2.gz HTYHHRHWMWDVBI-UHFFFAOYSA-N 0 0 383.198 2.893 20 5 GFBDRN CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ncccc1Br ZINC000543176912 564341991 /nfs/dbraw/zinc/34/19/91/564341991.db2.gz AXLHMEDQBRSXCX-UHFFFAOYSA-N 0 0 394.181 2.800 20 5 GFBDRN Cc1cccc(OC[C@H](O)CNc2ncc([N+](=O)[O-])c(C)c2Br)c1 ZINC000543449934 564351659 /nfs/dbraw/zinc/35/16/59/564351659.db2.gz WLMPXBKMGXZUCI-GFCCVEGCSA-N 0 0 396.241 2.643 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCN(c3ccccc3F)CC2)s1 ZINC000510999562 564353046 /nfs/dbraw/zinc/35/30/46/564353046.db2.gz QNZJLTDDAUYVFW-UHFFFAOYSA-N 0 0 385.442 2.696 20 5 GFBDRN CC1(C)C(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1(C)C ZINC000567098195 564357543 /nfs/dbraw/zinc/35/75/43/564357543.db2.gz QUYQHZJCSXOKPZ-UHFFFAOYSA-N 0 0 384.230 2.847 20 5 GFBDRN COc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ncc1Br ZINC000477025311 564362046 /nfs/dbraw/zinc/36/20/46/564362046.db2.gz COBTUMNTUDRDLF-UHFFFAOYSA-N 0 0 382.170 2.778 20 5 GFBDRN O=C(Cc1ccc(Br)cc1)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477035799 564362723 /nfs/dbraw/zinc/36/27/23/564362723.db2.gz KXRJUOGGMCNLKR-UHFFFAOYSA-N 0 0 398.234 2.943 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000451905019 564364714 /nfs/dbraw/zinc/36/47/14/564364714.db2.gz SPGANALDSHVASX-JSGCOSHPSA-N 0 0 383.451 2.558 20 5 GFBDRN CCN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511297406 564366458 /nfs/dbraw/zinc/36/64/58/564366458.db2.gz VDZOAAKNNIXUNS-VIFPVBQESA-N 0 0 382.269 2.616 20 5 GFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cc(Br)ccc1=O ZINC000477132023 564366524 /nfs/dbraw/zinc/36/65/24/564366524.db2.gz AFEGQUBXBBQVIR-UHFFFAOYSA-N 0 0 396.197 2.556 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCN1CCCCC1=O ZINC000567372698 564369045 /nfs/dbraw/zinc/36/90/45/564369045.db2.gz QJCWFRNLWQKQSO-UHFFFAOYSA-N 0 0 398.257 2.798 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000451964086 564373484 /nfs/dbraw/zinc/37/34/84/564373484.db2.gz JHYHVHMGJUQNFY-DZGCQCFKSA-N 0 0 382.463 2.996 20 5 GFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000451968888 564374092 /nfs/dbraw/zinc/37/40/92/564374092.db2.gz VAWXWJCCWGZENY-GXFFZTMASA-N 0 0 386.426 2.994 20 5 GFBDRN O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1I ZINC000511591418 564376577 /nfs/dbraw/zinc/37/65/77/564376577.db2.gz HKIMZUGAWWSAFR-UHFFFAOYSA-N 0 0 375.147 2.908 20 5 GFBDRN O=C1NCCc2ccc(CNc3ncc(Br)cc3[N+](=O)[O-])cc21 ZINC000544446930 564386874 /nfs/dbraw/zinc/38/68/74/564386874.db2.gz YZPVCYOKSMQZKT-UHFFFAOYSA-N 0 0 377.198 2.650 20 5 GFBDRN Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000544476894 564387118 /nfs/dbraw/zinc/38/71/18/564387118.db2.gz AUSPWOIRFJKCNC-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(Br)cn1 ZINC000477803366 564388296 /nfs/dbraw/zinc/38/82/96/564388296.db2.gz VJUDMQAVQUUKCG-SSDOTTSWSA-N 0 0 383.177 2.965 20 5 GFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000477994369 564392399 /nfs/dbraw/zinc/39/23/99/564392399.db2.gz CWUIAKRLZDJYLU-HTQZYQBOSA-N 0 0 384.211 2.805 20 5 GFBDRN CC(C)N(Cc1cccc(Br)c1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000512229162 564395572 /nfs/dbraw/zinc/39/55/72/564395572.db2.gz QGDMFIFPSUHFEE-UHFFFAOYSA-N 0 0 381.230 2.991 20 5 GFBDRN CCN1C[C@@H](C)N(C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000567958474 564397657 /nfs/dbraw/zinc/39/76/57/564397657.db2.gz MQZYVVSAPKMEGJ-DTORHVGOSA-N 0 0 376.276 2.974 20 5 GFBDRN CO[C@H](c1noc(Cn2cc([N+](=O)[O-])cn2)n1)c1ccc(Br)cc1 ZINC000545105348 564409245 /nfs/dbraw/zinc/40/92/45/564409245.db2.gz ZWZDWSDDSDYINT-ZDUSSCGKSA-N 0 0 394.185 2.721 20 5 GFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000478900109 564418300 /nfs/dbraw/zinc/41/83/00/564418300.db2.gz TUHSAIRMGLBQPZ-MWLCHTKSSA-N 0 0 382.360 2.955 20 5 GFBDRN CS(=O)(=O)c1ccc(N[C@@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000513064258 564418758 /nfs/dbraw/zinc/41/87/58/564418758.db2.gz LDTXZNICVAUSSG-ZDUSSCGKSA-N 0 0 388.804 2.936 20 5 GFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](CO)c2cccc(Cl)c2F)s1 ZINC000513055669 564419000 /nfs/dbraw/zinc/41/90/00/564419000.db2.gz BIAZSHMGCQMKNS-SECBINFHSA-N 0 0 394.833 2.998 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H](C3CC3)C2)c1 ZINC000479393526 564439189 /nfs/dbraw/zinc/43/91/89/564439189.db2.gz RAOJIPATRAVQKF-JTQLQIEISA-N 0 0 375.244 2.778 20 5 GFBDRN CCCC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000546177446 564449178 /nfs/dbraw/zinc/44/91/78/564449178.db2.gz PMOFISUGHBGJLD-GFCCVEGCSA-N 0 0 378.834 2.567 20 5 GFBDRN CC(C)Cn1cnc(S(=O)(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000480001399 564458025 /nfs/dbraw/zinc/45/80/25/564458025.db2.gz YHZBSYQYRVXQET-UHFFFAOYSA-N 0 0 386.861 2.622 20 5 GFBDRN Cc1cc(Oc2ccc(I)cc2[N+](=O)[O-])n2ncnc2n1 ZINC000480314262 564468462 /nfs/dbraw/zinc/46/84/62/564468462.db2.gz KZZNQHPECLINPP-UHFFFAOYSA-N 0 0 397.132 2.738 20 5 GFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(Br)cnc2N)c1 ZINC000569598124 564470839 /nfs/dbraw/zinc/47/08/39/564470839.db2.gz WGAYSVVGNJPWLS-UHFFFAOYSA-N 0 0 381.186 2.564 20 5 GFBDRN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480409445 564472010 /nfs/dbraw/zinc/47/20/10/564472010.db2.gz IQNYAXITCFREAF-DZGCQCFKSA-N 0 0 384.219 2.970 20 5 GFBDRN Cc1cccnc1N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480610405 564479091 /nfs/dbraw/zinc/47/90/91/564479091.db2.gz MMISPVIJOXREDX-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN Cc1cccnc1N(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480608229 564479123 /nfs/dbraw/zinc/47/91/23/564479123.db2.gz BZIFMCHJLKPWKA-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN Cc1nccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC000547232954 564480755 /nfs/dbraw/zinc/48/07/55/564480755.db2.gz FARFKXIVJACDHU-UHFFFAOYSA-N 0 0 384.133 2.550 20 5 GFBDRN CCCN([C@@H](CC)C(=O)OCC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480849291 564490884 /nfs/dbraw/zinc/49/08/84/564490884.db2.gz FNGKDSBAAFIXCO-LBPRGKRZSA-N 0 0 392.861 2.991 20 5 GFBDRN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000481113624 564503980 /nfs/dbraw/zinc/50/39/80/564503980.db2.gz QVGKBQALLAEINE-JTQLQIEISA-N 0 0 390.483 2.667 20 5 GFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC(C)(F)F ZINC000570424083 564505668 /nfs/dbraw/zinc/50/56/68/564505668.db2.gz UDXZVRNOPKGCDT-UHFFFAOYSA-N 0 0 384.120 2.893 20 5 GFBDRN COc1cc(CSC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000571083844 564535205 /nfs/dbraw/zinc/53/52/05/564535205.db2.gz VPNYWZPPMLOCFI-NSHDSACASA-N 0 0 378.397 2.769 20 5 GFBDRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000517577589 564536628 /nfs/dbraw/zinc/53/66/28/564536628.db2.gz GUNCOPKCXONECF-CQSZACIVSA-N 0 0 383.495 2.748 20 5 GFBDRN NC(=O)c1ccc(CN[C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000483224538 564560614 /nfs/dbraw/zinc/56/06/14/564560614.db2.gz GGACYKXGJRBYPV-ZDUSSCGKSA-N 0 0 384.219 2.824 20 5 GFBDRN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000455932110 564581277 /nfs/dbraw/zinc/58/12/77/564581277.db2.gz TULDLEXZEXEWML-VXGBXAGGSA-N 0 0 386.495 2.792 20 5 GFBDRN NS(=O)(=O)c1c(NCc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000519887286 564595378 /nfs/dbraw/zinc/59/53/78/564595378.db2.gz DVHVNPDNQBVFTN-UHFFFAOYSA-N 0 0 386.227 2.617 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC000456261386 564597376 /nfs/dbraw/zinc/59/73/76/564597376.db2.gz CUTCUQIFLUFDFA-SNVBAGLBSA-N 0 0 383.177 2.647 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456273720 564598207 /nfs/dbraw/zinc/59/82/07/564598207.db2.gz IHNZWOYERZYABZ-GFCCVEGCSA-N 0 0 397.204 2.805 20 5 GFBDRN CC(C)[C@]1(CO)CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000549556137 564598646 /nfs/dbraw/zinc/59/86/46/564598646.db2.gz XKQYRBNLRVOPAX-OAHLLOKOSA-N 0 0 376.862 2.667 20 5 GFBDRN CN(C)S(=O)(=O)CCCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000485291642 564611984 /nfs/dbraw/zinc/61/19/84/564611984.db2.gz LPIHGSZPBDSZHT-UHFFFAOYSA-N 0 0 383.289 2.731 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC=CCC2)c1 ZINC000520894894 564615731 /nfs/dbraw/zinc/61/57/31/564615731.db2.gz VHVJPCLNPKGOQE-SNVBAGLBSA-N 0 0 375.244 2.992 20 5 GFBDRN C[C@@H](CN1CCCC1=O)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000521346561 564624796 /nfs/dbraw/zinc/62/47/96/564624796.db2.gz AIJNURBLKBXLIC-JTQLQIEISA-N 0 0 393.241 2.750 20 5 GFBDRN O=C(CN1CCCC[C@@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573302537 564632280 /nfs/dbraw/zinc/63/22/80/564632280.db2.gz ADFXVIDTXOCRSR-CQSZACIVSA-N 0 0 398.257 2.675 20 5 GFBDRN CC(C)CN1C[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000486009350 564635348 /nfs/dbraw/zinc/63/53/48/564635348.db2.gz WWDIJQRTOOKQCH-CYBMUJFWSA-N 0 0 397.273 2.940 20 5 GFBDRN Cc1c(Cl)cccc1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000486114291 564639815 /nfs/dbraw/zinc/63/98/15/564639815.db2.gz AGVORQWIDUTBCU-UHFFFAOYSA-N 0 0 382.825 2.760 20 5 GFBDRN CC1=C[C@H](C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551478139 564651933 /nfs/dbraw/zinc/65/19/33/564651933.db2.gz FSKNFXMQWXWQFF-VIFPVBQESA-N 0 0 382.214 2.720 20 5 GFBDRN CC(=O)N1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000486468451 564652915 /nfs/dbraw/zinc/65/29/15/564652915.db2.gz LYLZNBLWQCWKGC-UHFFFAOYSA-N 0 0 390.259 2.502 20 5 GFBDRN COCC1(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000551576562 564655882 /nfs/dbraw/zinc/65/58/82/564655882.db2.gz XCQHJESYPXQHRW-UHFFFAOYSA-N 0 0 393.259 2.513 20 5 GFBDRN Cc1cnc(N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000522870321 564658545 /nfs/dbraw/zinc/65/85/45/564658545.db2.gz DAXJKTSOUSDMTC-UHFFFAOYSA-N 0 0 378.479 2.801 20 5 GFBDRN O=C(CNC(=O)c1ccccc1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551668407 564659805 /nfs/dbraw/zinc/65/98/05/564659805.db2.gz OWSFUEQHRRIANV-UHFFFAOYSA-N 0 0 378.182 2.726 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000523496499 564668139 /nfs/dbraw/zinc/66/81/39/564668139.db2.gz CGVFMYLIZKLERI-UHFFFAOYSA-N 0 0 382.825 2.970 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000486833110 564668425 /nfs/dbraw/zinc/66/84/25/564668425.db2.gz JQGVBSGYUVNDOS-DDFAGTSDSA-N 0 0 375.244 2.743 20 5 GFBDRN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000487291050 564681523 /nfs/dbraw/zinc/68/15/23/564681523.db2.gz KWQVDFYFZRKMNH-NSHDSACASA-N 0 0 379.214 2.694 20 5 GFBDRN O=C(NCc1cn2ccsc2n1)c1ccc([N+](=O)[O-])cc1Br ZINC000524606922 564683191 /nfs/dbraw/zinc/68/31/91/564683191.db2.gz RMYXDDQTERPEIP-UHFFFAOYSA-N 0 0 381.211 2.997 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000574665138 564683234 /nfs/dbraw/zinc/68/32/34/564683234.db2.gz QPQTXRYUASMLMZ-IUODEOHRSA-N 0 0 386.857 2.746 20 5 GFBDRN C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)Oc1cccc(Cl)c1 ZINC000524685807 564685221 /nfs/dbraw/zinc/68/52/21/564685221.db2.gz AHBJMHSGNBGJHT-JTQLQIEISA-N 0 0 385.829 2.775 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1(N2CCOCC2)CCC1 ZINC000575345026 564696545 /nfs/dbraw/zinc/69/65/45/564696545.db2.gz UPDXNWIUMPIHLK-UHFFFAOYSA-N 0 0 384.230 2.551 20 5 GFBDRN O=C(N[C@@H]1CC[S@@](=O)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487963133 564700620 /nfs/dbraw/zinc/70/06/20/564700620.db2.gz PUYFRPBTWJUVPT-YMXBGEKHSA-N 0 0 376.459 2.997 20 5 GFBDRN O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000488142544 564704442 /nfs/dbraw/zinc/70/44/42/564704442.db2.gz MONOBQJSSYKPFP-LBPRGKRZSA-N 0 0 381.410 2.949 20 5 GFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000488182830 564706234 /nfs/dbraw/zinc/70/62/34/564706234.db2.gz MRRQJRNRQRVMQD-IVCQMTBJSA-N 0 0 382.873 2.770 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000576193710 564706547 /nfs/dbraw/zinc/70/65/47/564706547.db2.gz XWMNNFRERDVHLL-TZMCWYRMSA-N 0 0 381.479 2.908 20 5 GFBDRN C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000576188200 564706799 /nfs/dbraw/zinc/70/67/99/564706799.db2.gz UMPJIGFUPOPSCH-IUCAKERBSA-N 0 0 383.253 2.683 20 5 GFBDRN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000576193707 564706857 /nfs/dbraw/zinc/70/68/57/564706857.db2.gz XWMNNFRERDVHLL-GXTWGEPZSA-N 0 0 381.479 2.908 20 5 GFBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000488716456 564718468 /nfs/dbraw/zinc/71/84/68/564718468.db2.gz CCZKKFWUVBMLHQ-LBPRGKRZSA-N 0 0 394.229 2.709 20 5 GFBDRN CC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000553704277 564732824 /nfs/dbraw/zinc/73/28/24/564732824.db2.gz OHPFDCDPFDGNSX-ONGXEEELSA-N 0 0 377.260 2.759 20 5 GFBDRN COC(=O)c1cc(C(=O)Nc2ccnc(C)c2Br)cc([N+](=O)[O-])c1 ZINC000527342240 564741115 /nfs/dbraw/zinc/74/11/15/564741115.db2.gz UPJKNPVYJBLVND-UHFFFAOYSA-N 0 0 394.181 2.522 20 5 GFBDRN CCS(=O)(=O)N1CCC([C@H](C)N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000579875281 564752819 /nfs/dbraw/zinc/75/28/19/564752819.db2.gz IBSLUURTVFIAFS-NSHDSACASA-N 0 0 390.893 2.530 20 5 GFBDRN CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000490139796 564764901 /nfs/dbraw/zinc/76/49/01/564764901.db2.gz OIJQOKRFYSZOKH-CQSZACIVSA-N 0 0 376.862 2.714 20 5 GFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(O)cc(Br)cc1Cl ZINC000580672676 564768644 /nfs/dbraw/zinc/76/86/44/564768644.db2.gz QXKZYCJKMSHWQL-UHFFFAOYSA-N 0 0 375.566 2.552 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000490410323 564770112 /nfs/dbraw/zinc/77/01/12/564770112.db2.gz GRSZFZRRNIMVKU-GFCCVEGCSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1nc(S(=O)(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000554709808 564770768 /nfs/dbraw/zinc/77/07/68/564770768.db2.gz NDCNVQKHYXHZNA-UHFFFAOYSA-N 0 0 380.451 2.670 20 5 GFBDRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493386361 564807576 /nfs/dbraw/zinc/80/75/76/564807576.db2.gz NTUUXALRSLIBKM-SNVBAGLBSA-N 0 0 381.841 2.847 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2Br)CCN1CC(F)(F)F ZINC000493997900 564816196 /nfs/dbraw/zinc/81/61/96/564816196.db2.gz YMQSGDLPSNTULE-SNVBAGLBSA-N 0 0 382.136 2.932 20 5 GFBDRN COC(=O)CCN(C(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462137071 564823122 /nfs/dbraw/zinc/82/31/22/564823122.db2.gz DRWZYBQCZAUZAA-UHFFFAOYSA-N 0 0 399.252 2.864 20 5 GFBDRN CCN(CCN1CCCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000581961392 564824533 /nfs/dbraw/zinc/82/45/33/564824533.db2.gz WYPGUHPVIPWKTD-UHFFFAOYSA-N 0 0 375.516 2.762 20 5 GFBDRN CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000462401114 564837267 /nfs/dbraw/zinc/83/72/67/564837267.db2.gz OVJUJYINYGORBE-NSHDSACASA-N 0 0 376.843 2.976 20 5 GFBDRN CN(Cc1nnc2n1CCC2)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556739905 564838308 /nfs/dbraw/zinc/83/83/08/564838308.db2.gz SAYYWYWCURYFFQ-UHFFFAOYSA-N 0 0 395.217 2.559 20 5 GFBDRN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494054 564843770 /nfs/dbraw/zinc/84/37/70/564843770.db2.gz XEBMJTSKESYLCR-SCZZXKLOSA-N 0 0 382.269 2.663 20 5 GFBDRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462514598 564845520 /nfs/dbraw/zinc/84/55/20/564845520.db2.gz ZRDURKMYBQETQH-UHFFFAOYSA-N 0 0 393.252 2.846 20 5 GFBDRN C[C@@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000557734277 564874351 /nfs/dbraw/zinc/87/43/51/564874351.db2.gz LTIUVCXXTQSIMZ-IUODEOHRSA-N 0 0 385.511 2.933 20 5 GFBDRN CS(=O)(=O)N1CCCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000557762863 564875062 /nfs/dbraw/zinc/87/50/62/564875062.db2.gz QQHCLXLNNUOYEQ-LLVKDONJSA-N 0 0 392.275 2.583 20 5 GFBDRN COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)nn1C ZINC000558334944 564897929 /nfs/dbraw/zinc/89/79/29/564897929.db2.gz XUESLAJGBWROTD-UHFFFAOYSA-N 0 0 394.185 2.740 20 5 GFBDRN NS(=O)(=O)c1c(NC[C@@H]2SCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000531153235 564902571 /nfs/dbraw/zinc/90/25/71/564902571.db2.gz QVFHUFAGYYIHLR-HNNXBMFYSA-N 0 0 379.463 2.685 20 5 GFBDRN CC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000498585426 564903441 /nfs/dbraw/zinc/90/34/41/564903441.db2.gz UPPYTCGCDSNOHV-TVQRCGJNSA-N 0 0 384.738 2.835 20 5 GFBDRN CC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000498585427 564903746 /nfs/dbraw/zinc/90/37/46/564903746.db2.gz UPPYTCGCDSNOHV-ZANVPECISA-N 0 0 384.738 2.835 20 5 GFBDRN CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000583714780 564904166 /nfs/dbraw/zinc/90/41/66/564904166.db2.gz FCDZLOVWVLGUDR-DRZSPHRISA-N 0 0 383.246 2.811 20 5 GFBDRN CCn1cccc(CNc2ccc(I)cc2[N+](=O)[O-])c1=O ZINC000558944731 564918629 /nfs/dbraw/zinc/91/86/29/564918629.db2.gz WLXIADIVRINLFL-UHFFFAOYSA-N 0 0 399.188 2.993 20 5 GFBDRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc2c(c(Cl)c1)OCO2 ZINC000531884198 564922658 /nfs/dbraw/zinc/92/26/58/564922658.db2.gz GWBNTXRYALCEKN-UHFFFAOYSA-N 0 0 387.573 2.949 20 5 GFBDRN CC(C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000499462252 564928121 /nfs/dbraw/zinc/92/81/21/564928121.db2.gz YYMFZXNDQCUAFQ-UHFFFAOYSA-N 0 0 394.225 2.571 20 5 GFBDRN CCn1cc(S(=O)(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000499675929 564933710 /nfs/dbraw/zinc/93/37/10/564933710.db2.gz LMYCSOYKBOCIKN-BONVTDFDSA-N 0 0 384.845 2.678 20 5 GFBDRN O=C(CSCC(=O)N1CCCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466310687 564937784 /nfs/dbraw/zinc/93/77/84/564937784.db2.gz YVVCKFZXINJTJC-UHFFFAOYSA-N 0 0 385.873 2.610 20 5 GFBDRN CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000532422273 564938070 /nfs/dbraw/zinc/93/80/70/564938070.db2.gz ZLDJSOKKHGSJED-LLVKDONJSA-N 0 0 382.467 2.707 20 5 GFBDRN C[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000532768325 564945134 /nfs/dbraw/zinc/94/51/34/564945134.db2.gz BUPNXPNEJKOKJU-SNVBAGLBSA-N 0 0 387.410 2.672 20 5 GFBDRN Cc1ccsc1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560180430 564952287 /nfs/dbraw/zinc/95/22/87/564952287.db2.gz OLUOHSJIPMEECL-UHFFFAOYSA-N 0 0 398.238 2.982 20 5 GFBDRN COc1ccc(OCCN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467257695 564959288 /nfs/dbraw/zinc/95/92/88/564959288.db2.gz QHNZCGMAONYYEY-UHFFFAOYSA-N 0 0 386.451 2.673 20 5 GFBDRN COc1ccccc1C1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467403199 564962298 /nfs/dbraw/zinc/96/22/98/564962298.db2.gz JHDCDIYKQVRKPE-UHFFFAOYSA-N 0 0 382.463 2.983 20 5 GFBDRN Cc1sc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000467401994 564962547 /nfs/dbraw/zinc/96/25/47/564962547.db2.gz FHDDSXDTLHOKAJ-NWDGAFQWSA-N 0 0 392.524 2.640 20 5 GFBDRN Cc1sc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000467415753 564962651 /nfs/dbraw/zinc/96/26/51/564962651.db2.gz CLZVVDGMXVVSAC-NSHDSACASA-N 0 0 378.472 2.609 20 5 GFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000500853378 564964574 /nfs/dbraw/zinc/96/45/74/564964574.db2.gz ULSFFMBOXQVYSU-UHFFFAOYSA-N 0 0 379.214 2.668 20 5 GFBDRN CC(=O)NC[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501109189 564970828 /nfs/dbraw/zinc/97/08/28/564970828.db2.gz VJPDUDCDCDJWOS-LLVKDONJSA-N 0 0 399.245 2.737 20 5 GFBDRN O=C(NCc1nncn1C1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501121097 564971484 /nfs/dbraw/zinc/97/14/84/564971484.db2.gz SWAZTWLURUFNRU-UHFFFAOYSA-N 0 0 381.190 2.605 20 5 GFBDRN C[S@@](=O)C1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000501127082 564971587 /nfs/dbraw/zinc/97/15/87/564971587.db2.gz ZTACVVSDNUQAED-JOCHJYFZSA-N 0 0 390.259 2.780 20 5 GFBDRN CS(=O)(=O)C1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000501289088 564975911 /nfs/dbraw/zinc/97/59/11/564975911.db2.gz YEPKIHFEUDEMDU-UHFFFAOYSA-N 0 0 391.243 2.653 20 5 GFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Br)ccc1NC1CC1 ZINC000501495925 564981084 /nfs/dbraw/zinc/98/10/84/564981084.db2.gz LIDLRJZJZLLLRM-UHFFFAOYSA-N 0 0 380.202 2.917 20 5 GFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCSCC1 ZINC000534221560 564982766 /nfs/dbraw/zinc/98/27/66/564982766.db2.gz BFXQXBIDFZQCLJ-UHFFFAOYSA-N 0 0 384.479 2.829 20 5 GFBDRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])o1 ZINC000468604838 564988019 /nfs/dbraw/zinc/98/80/19/564988019.db2.gz CKDVMFOJFOREAF-UHFFFAOYSA-N 0 0 393.153 2.930 20 5 GFBDRN Cc1cc(I)cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000561394758 564993695 /nfs/dbraw/zinc/99/36/95/564993695.db2.gz JHMTVSOSEKMBGP-UHFFFAOYSA-N 0 0 398.160 2.745 20 5 GFBDRN CCOC(=O)CN(CC(F)(F)F)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000502538169 565001269 /nfs/dbraw/zinc/00/12/69/565001269.db2.gz DIHUGSWLSYQORQ-UHFFFAOYSA-N 0 0 380.344 2.641 20 5 GFBDRN O=C(NCc1ccc(O)cc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535029105 565002961 /nfs/dbraw/zinc/00/29/61/565002961.db2.gz MLHLBHXRDRZHPB-UHFFFAOYSA-N 0 0 398.156 2.835 20 5 GFBDRN COC(=O)C1(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000536138142 565030485 /nfs/dbraw/zinc/03/04/85/565030485.db2.gz ZTMWPPIOVKFIGD-UHFFFAOYSA-N 0 0 390.845 2.745 20 5 GFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000504297254 565037105 /nfs/dbraw/zinc/03/71/05/565037105.db2.gz XYSPILHBNDAXKK-LBPRGKRZSA-N 0 0 393.197 2.588 20 5 GFBDRN O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000504333383 565038220 /nfs/dbraw/zinc/03/82/20/565038220.db2.gz ZUNRGUMLIYDTRH-NSHDSACASA-N 0 0 394.181 2.712 20 5 GFBDRN Cc1c(Br)cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(=O)n1C ZINC000470707993 565053725 /nfs/dbraw/zinc/05/37/25/565053725.db2.gz QUQSLOXHAOIYJH-UHFFFAOYSA-N 0 0 384.161 2.756 20 5 GFBDRN COC(=O)[C@H](CC(F)F)NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585701360 565105586 /nfs/dbraw/zinc/10/55/86/565105586.db2.gz YWHYUCJHGJEOQT-JTQLQIEISA-N 0 0 395.156 2.592 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000586770736 565116071 /nfs/dbraw/zinc/11/60/71/565116071.db2.gz KHDLLGUOTIWHBM-TVQRCGJNSA-N 0 0 375.244 2.839 20 5 GFBDRN Cc1c(CNC(=O)N(C)CCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000588891157 565142808 /nfs/dbraw/zinc/14/28/08/565142808.db2.gz WXVKBEVXKOCCIX-UHFFFAOYSA-N 0 0 396.245 2.704 20 5 GFBDRN CNS(=O)(=O)c1ccc(CNc2ccnc3c2cccc3[N+](=O)[O-])s1 ZINC000590079648 565177311 /nfs/dbraw/zinc/17/73/11/565177311.db2.gz PCKDJISIJOHTRV-UHFFFAOYSA-N 0 0 378.435 2.725 20 5 GFBDRN COC(=O)c1ccnc(NCCc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000590583014 565193235 /nfs/dbraw/zinc/19/32/35/565193235.db2.gz BMHMTUKHUJZXBC-UHFFFAOYSA-N 0 0 376.316 2.906 20 5 GFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000590761484 565201845 /nfs/dbraw/zinc/20/18/45/565201845.db2.gz CORUKWCPGFVQCZ-VHSXEESVSA-N 0 0 382.360 2.955 20 5 GFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000590914564 565209840 /nfs/dbraw/zinc/20/98/40/565209840.db2.gz SZFUMYNTMGUQIZ-KGLIPLIRSA-N 0 0 381.226 2.998 20 5 GFBDRN CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591324487 565223584 /nfs/dbraw/zinc/22/35/84/565223584.db2.gz BKHMNVAIBUKKLF-JTQLQIEISA-N 0 0 382.360 2.661 20 5 GFBDRN Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000591328907 565225033 /nfs/dbraw/zinc/22/50/33/565225033.db2.gz ZJHNXFXZUMDMLC-GWCFXTLKSA-N 0 0 382.360 2.552 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000617239503 565228190 /nfs/dbraw/zinc/22/81/90/565228190.db2.gz AWTLHKUQWAOGRA-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN COc1ccc(CNC(=O)C[C@@H](C)n2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000592584130 565283350 /nfs/dbraw/zinc/28/33/50/565283350.db2.gz OHQPWSWJYNPWTR-SNVBAGLBSA-N 0 0 397.229 2.830 20 5 GFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000592629414 565285975 /nfs/dbraw/zinc/28/59/75/565285975.db2.gz LXHZAGJEFZVRBJ-ZDUSSCGKSA-N 0 0 382.214 2.697 20 5 GFBDRN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC000592671247 565287760 /nfs/dbraw/zinc/28/77/60/565287760.db2.gz PSPITHKRINCOKK-CQSZACIVSA-N 0 0 376.356 2.962 20 5 GFBDRN O=[N+]([O-])c1ccn(C2CCN(c3ncccc3I)CC2)n1 ZINC000618682574 565310729 /nfs/dbraw/zinc/31/07/29/565310729.db2.gz QQEOLZBYNYJIRC-UHFFFAOYSA-N 0 0 399.192 2.632 20 5 GFBDRN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593533481 565338320 /nfs/dbraw/zinc/33/83/20/565338320.db2.gz OFJHDDDCKHYGLA-UHFFFAOYSA-N 0 0 385.829 2.733 20 5 GFBDRN CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c[nH]1 ZINC000619447483 565341570 /nfs/dbraw/zinc/34/15/70/565341570.db2.gz BUALEKKFTMSXOK-UHFFFAOYSA-N 0 0 383.158 2.509 20 5 GFBDRN CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)CO1 ZINC000593641147 565350622 /nfs/dbraw/zinc/35/06/22/565350622.db2.gz FLEOHZKZOSDOAS-GXSJLCMTSA-N 0 0 382.360 2.802 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593643575 565351925 /nfs/dbraw/zinc/35/19/25/565351925.db2.gz XPISAZYVRPEEDP-KOLCDFICSA-N 0 0 382.360 2.802 20 5 GFBDRN COc1c(F)cc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000593648154 565351932 /nfs/dbraw/zinc/35/19/32/565351932.db2.gz FTXKDGKJBKOXGZ-UHFFFAOYSA-N 0 0 380.344 2.552 20 5 GFBDRN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)CO1 ZINC000593641148 565352008 /nfs/dbraw/zinc/35/20/08/565352008.db2.gz FLEOHZKZOSDOAS-KOLCDFICSA-N 0 0 382.360 2.802 20 5 GFBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H](CO)CCF)cc2[N+](=O)[O-])n1 ZINC000593861572 565363754 /nfs/dbraw/zinc/36/37/54/565363754.db2.gz HNNKYSRJRYQWOR-LLVKDONJSA-N 0 0 385.442 2.961 20 5 GFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594485573 565394334 /nfs/dbraw/zinc/39/43/34/565394334.db2.gz ABACQBLBGWFDII-GXFFZTMASA-N 0 0 382.360 2.682 20 5 GFBDRN Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594488675 565395645 /nfs/dbraw/zinc/39/56/45/565395645.db2.gz UDRXNRCHFSXPRR-MFKMUULPSA-N 0 0 382.360 2.682 20 5 GFBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCCSCC(F)(F)F ZINC000594767705 565417860 /nfs/dbraw/zinc/41/78/60/565417860.db2.gz MQYXIDRFWCROAU-UHFFFAOYSA-N 0 0 395.384 2.717 20 5 GFBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594793276 565421549 /nfs/dbraw/zinc/42/15/49/565421549.db2.gz BHGIPROPNDAHRB-VIFPVBQESA-N 0 0 393.259 2.512 20 5 GFBDRN Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000594869523 565432946 /nfs/dbraw/zinc/43/29/46/565432946.db2.gz CURFEPTVVNRKOR-ZWNOBZJWSA-N 0 0 382.360 2.552 20 5 GFBDRN C[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000594957720 565438969 /nfs/dbraw/zinc/43/89/69/565438969.db2.gz ULFCNGGMAWERMJ-UFBFGSQYSA-N 0 0 399.192 2.587 20 5 GFBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000595393261 565473104 /nfs/dbraw/zinc/47/31/04/565473104.db2.gz AGUQVFKPOYZYQH-MRVPVSSYSA-N 0 0 388.751 2.590 20 5 GFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000595399806 565473679 /nfs/dbraw/zinc/47/36/79/565473679.db2.gz XULNEYHSXQORSG-ZYHUDNBSSA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000595398225 565474065 /nfs/dbraw/zinc/47/40/65/565474065.db2.gz NWIWKBJBEFCAAI-MNOVXSKESA-N 0 0 382.360 2.634 20 5 GFBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)c1C ZINC000595416537 565475462 /nfs/dbraw/zinc/47/54/62/565475462.db2.gz QSJFLQHXKJCWPZ-BMIGLBTASA-N 0 0 378.397 2.645 20 5 GFBDRN COc1ncc(Br)cc1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425643 565476426 /nfs/dbraw/zinc/47/64/26/565476426.db2.gz UWXJJSMKADOJLD-UHFFFAOYSA-N 0 0 379.214 2.714 20 5 GFBDRN C[C@@]1(C(F)F)CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595584394 565483418 /nfs/dbraw/zinc/48/34/18/565483418.db2.gz DJXJULPRDBPVFR-HNNXBMFYSA-N 0 0 377.775 2.856 20 5 GFBDRN COC(=O)c1ccc(N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)s1 ZINC000596265878 565517941 /nfs/dbraw/zinc/51/79/41/565517941.db2.gz OLKSRSMYCBOFDX-UHFFFAOYSA-N 0 0 382.829 2.818 20 5 GFBDRN Cc1noc(CSCc2ccc(S(=O)(=O)NC3CC3)cc2)c1[N+](=O)[O-] ZINC000596375934 565521792 /nfs/dbraw/zinc/52/17/92/565521792.db2.gz SKNHQQGGGUBVSU-UHFFFAOYSA-N 0 0 383.451 2.765 20 5 GFBDRN O=[N+]([O-])c1cc(I)cc(CN2CCCc3n[nH]cc3C2)c1 ZINC000596594189 565528267 /nfs/dbraw/zinc/52/82/67/565528267.db2.gz QEGWIBMKCBXQCY-UHFFFAOYSA-N 0 0 398.204 2.871 20 5 GFBDRN CCc1n[nH]c(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000597748353 565573875 /nfs/dbraw/zinc/57/38/75/565573875.db2.gz NFZUWMDUIHJVHB-OAHLLOKOSA-N 0 0 387.223 2.825 20 5 GFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000597963948 565585774 /nfs/dbraw/zinc/58/57/74/565585774.db2.gz RPMIFPNBCVYNRR-UHFFFAOYSA-N 0 0 382.203 2.648 20 5 GFBDRN Cc1nn(C)c(C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000598190450 565600037 /nfs/dbraw/zinc/60/00/37/565600037.db2.gz IDEXEPITSNZGHA-LLVKDONJSA-N 0 0 387.223 2.749 20 5 GFBDRN O=C(N=c1ccn(C2CCOCC2)[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000598235212 565604848 /nfs/dbraw/zinc/60/48/48/565604848.db2.gz DCJCGZPQLORTDV-UHFFFAOYSA-N 0 0 395.213 2.580 20 5 GFBDRN NC(=O)CC1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000598471436 565619739 /nfs/dbraw/zinc/61/97/39/565619739.db2.gz LWDTZMOBUZGPJB-UHFFFAOYSA-N 0 0 398.257 2.913 20 5 GFBDRN C[C@]1(C(F)F)CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000598569653 565627481 /nfs/dbraw/zinc/62/74/81/565627481.db2.gz BWPOCTPIHKWSDS-CYBMUJFWSA-N 0 0 379.157 2.854 20 5 GFBDRN CCOC(=O)c1sc(Sc2nccc(C(=O)OC)c2[N+](=O)[O-])nc1C ZINC000598628946 565630343 /nfs/dbraw/zinc/63/03/43/565630343.db2.gz VGYVQJVSYQANEQ-UHFFFAOYSA-N 0 0 383.407 2.869 20 5 GFBDRN C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598753448 565640139 /nfs/dbraw/zinc/64/01/39/565640139.db2.gz IPDZUINCSKZBHR-PDISFODASA-N 0 0 376.381 2.616 20 5 GFBDRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598758089 565640568 /nfs/dbraw/zinc/64/05/68/565640568.db2.gz QUNZHBYXEHTIPY-OZGSTZEOSA-N 0 0 376.381 2.616 20 5 GFBDRN CCc1cc(Br)c(C)nc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000598863073 565647004 /nfs/dbraw/zinc/64/70/04/565647004.db2.gz JMORQRDFMKWBQL-UHFFFAOYSA-N 0 0 382.218 2.767 20 5 GFBDRN Cc1cccnc1NC(=O)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000599086878 565654869 /nfs/dbraw/zinc/65/48/69/565654869.db2.gz WHWLZGRQQLFVLW-UHFFFAOYSA-N 0 0 394.229 2.627 20 5 GFBDRN Cn1cc([C@@H]2C[C@@H](Nc3ncc(Br)cc3[N+](=O)[O-])CCO2)cn1 ZINC000599107415 565657272 /nfs/dbraw/zinc/65/72/72/565657272.db2.gz JJFUAQXXGMCRBT-AAEUAGOBSA-N 0 0 382.218 2.818 20 5 GFBDRN C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599248572 565665107 /nfs/dbraw/zinc/66/51/07/565665107.db2.gz OHVWUXRYSWPZDS-LQJRIPTKSA-N 0 0 384.845 2.657 20 5 GFBDRN CS(=O)(=O)c1ccc([C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)cc1 ZINC000599518076 565687251 /nfs/dbraw/zinc/68/72/51/565687251.db2.gz CSQMSTWQFZLQLV-HNNXBMFYSA-N 0 0 382.463 2.633 20 5 GFBDRN COC(=O)[C@@](C)(NCc1ccncc1Br)c1cccc([N+](=O)[O-])c1 ZINC000599646472 565695206 /nfs/dbraw/zinc/69/52/06/565695206.db2.gz KXQKVSLEPHZJRR-INIZCTEOSA-N 0 0 394.225 2.930 20 5 GFBDRN O=C(c1cc(O)cc(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599843093 565704726 /nfs/dbraw/zinc/70/47/26/565704726.db2.gz BFQKRJDWYHICNP-UHFFFAOYSA-N 0 0 395.213 2.737 20 5 GFBDRN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599987825 565708895 /nfs/dbraw/zinc/70/88/95/565708895.db2.gz RKCIZBRFKSZRNW-NHYWBVRUSA-N 0 0 383.242 2.884 20 5 GFBDRN COc1ncc(Br)cc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000600346279 565724795 /nfs/dbraw/zinc/72/47/95/565724795.db2.gz SXLYNOHSDXFHHC-UHFFFAOYSA-N 0 0 394.225 2.928 20 5 GFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCF)C1 ZINC000600497285 565733070 /nfs/dbraw/zinc/73/30/70/565733070.db2.gz RIOGCQYNXFMHQQ-NSHDSACASA-N 0 0 375.194 2.866 20 5 GFBDRN COC(=O)CCCCOc1ccc(I)cc1[N+](=O)[O-] ZINC000600531127 565735863 /nfs/dbraw/zinc/73/58/63/565735863.db2.gz DKKFDJHRBXYPGG-UHFFFAOYSA-N 0 0 379.150 2.922 20 5 GFBDRN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(CC(F)(F)F)CC1 ZINC000601109480 565767407 /nfs/dbraw/zinc/76/74/07/565767407.db2.gz URAKDPOILKPMPF-UHFFFAOYSA-N 0 0 375.273 2.786 20 5 GFBDRN COC(=O)Cc1sccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601414018 565783040 /nfs/dbraw/zinc/78/30/40/565783040.db2.gz OHVNUKCQRNYFCG-UHFFFAOYSA-N 0 0 382.825 2.998 20 5 GFBDRN Cc1cc(Br)c2c(c1)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000601694911 565798623 /nfs/dbraw/zinc/79/86/23/565798623.db2.gz AAVQQNZSSHRRGA-UHFFFAOYSA-N 0 0 393.241 2.837 20 5 GFBDRN CSC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601697486 565798749 /nfs/dbraw/zinc/79/87/49/565798749.db2.gz ZQGMWHZBZXKWKH-LBPRGKRZSA-N 0 0 383.495 2.615 20 5 GFBDRN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601835325 565806213 /nfs/dbraw/zinc/80/62/13/565806213.db2.gz HYMRFNGHIPSPFN-OIBJUYFYSA-N 0 0 397.147 2.600 20 5 GFBDRN CC(=O)NCC1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602449763 565848478 /nfs/dbraw/zinc/84/84/78/565848478.db2.gz RXGQPEOFQAMXBV-UHFFFAOYSA-N 0 0 376.276 2.767 20 5 GFBDRN Cn1cc(CN2CCO[C@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])n1 ZINC000602448360 565848620 /nfs/dbraw/zinc/84/86/20/565848620.db2.gz JKBWXRJZQOWLRJ-AWEZNQCLSA-N 0 0 381.230 2.664 20 5 GFBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602663213 565860505 /nfs/dbraw/zinc/86/05/05/565860505.db2.gz QUZYYEYJYMLBNY-MNOVXSKESA-N 0 0 390.303 2.714 20 5 GFBDRN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000602803030 565868748 /nfs/dbraw/zinc/86/87/48/565868748.db2.gz VEIJHZHDZQYXTM-SECBINFHSA-N 0 0 397.229 2.713 20 5 GFBDRN COCCOc1ccc(CNc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000603403233 565903743 /nfs/dbraw/zinc/90/37/43/565903743.db2.gz SQOMPJGADSLECM-UHFFFAOYSA-N 0 0 383.202 2.785 20 5 GFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000603584238 565911251 /nfs/dbraw/zinc/91/12/51/565911251.db2.gz NMSJRKVECCLGIG-LSDHHAIUSA-N 0 0 386.495 2.578 20 5 GFBDRN COc1cc(Br)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1OC ZINC000608905413 566026368 /nfs/dbraw/zinc/02/63/68/566026368.db2.gz YBRWIYYFRZQDPC-UHFFFAOYSA-N 0 0 384.186 2.633 20 5 GFBDRN O=[N+]([O-])c1cnccc1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000608973345 566028759 /nfs/dbraw/zinc/02/87/59/566028759.db2.gz KMSKCTPWYUNBPU-UHFFFAOYSA-N 0 0 375.186 2.571 20 5 GFBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2C2CC2)c1 ZINC000609419185 566039333 /nfs/dbraw/zinc/03/93/33/566039333.db2.gz JDQOCHYVMOESHN-ZDUSSCGKSA-N 0 0 375.244 2.920 20 5 GFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000609498930 566041910 /nfs/dbraw/zinc/04/19/10/566041910.db2.gz XHJSDYVOIDCNLO-UHFFFAOYSA-N 0 0 383.813 2.550 20 5 GFBDRN CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000609856795 566055762 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Cc1c(Br)c(NCc2nnnn2-c2ccccc2)ncc1[N+](=O)[O-] ZINC000612444378 566162559 /nfs/dbraw/zinc/16/25/59/566162559.db2.gz QCLGIKNKMGGNSM-UHFFFAOYSA-N 0 0 390.201 2.649 20 5 GFBDRN Cn1c(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000612867096 566178345 /nfs/dbraw/zinc/17/83/45/566178345.db2.gz CXTMZYJOOQXAFS-UHFFFAOYSA-N 0 0 382.785 2.611 20 5 GFBDRN Cc1ccncc1N(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000613346830 566195644 /nfs/dbraw/zinc/19/56/44/566195644.db2.gz JMUASYMZPYLROB-UHFFFAOYSA-N 0 0 386.227 2.886 20 5 GFBDRN O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCN1c1ccc(Cl)cc1 ZINC000738294221 598855846 /nfs/dbraw/zinc/85/58/46/598855846.db2.gz ACCRAMJSJSYFTM-OAHLLOKOSA-N 0 0 399.798 2.646 20 5 GFBDRN Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000737315553 598888548 /nfs/dbraw/zinc/88/85/48/598888548.db2.gz NZGRWUNTIUGLFP-LBPRGKRZSA-N 0 0 383.364 2.708 20 5 GFBDRN CCOC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000821321156 599050474 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383.299 2.543 20 5 GFBDRN COc1cccc(N2CC[C@H](CNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)c1 ZINC000737140536 598354312 /nfs/dbraw/zinc/35/43/12/598354312.db2.gz QBXORMJVDWFKCT-CYBMUJFWSA-N 0 0 395.423 2.722 20 5 GFBDRN O=C1OC(c2ccc(-c3nn[nH]n3)cc2)=NC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000738318584 598380888 /nfs/dbraw/zinc/38/08/88/598380888.db2.gz KVKXZNBPRRRHIP-PVZSTHCMSA-N 0 0 388.343 2.676 20 5 GFBDRN COC(=O)[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000736891789 598386657 /nfs/dbraw/zinc/38/66/57/598386657.db2.gz LSGSIZKEORVOIV-HNNXBMFYSA-N 0 0 396.407 2.527 20 5 GFBDRN COc1ccc(COCCCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000737097458 598456665 /nfs/dbraw/zinc/45/66/65/598456665.db2.gz KFVOXAJFLLBAJS-UHFFFAOYSA-N 0 0 384.396 2.802 20 5 GFBDRN O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738320156 598493795 /nfs/dbraw/zinc/49/37/95/598493795.db2.gz RRRQGZVCXZJZQD-XYOKQWHBSA-N 0 0 396.750 2.773 20 5 GFBDRN O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1cccc(-c2nn[nH]n2)c1 ZINC000738318015 598493822 /nfs/dbraw/zinc/49/38/22/598493822.db2.gz HKGLAIYVDDXSNK-WQLSENKSSA-N 0 0 396.750 2.773 20 5 GFBDRN Cc1nc(COc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)no1 ZINC000737476292 598503692 /nfs/dbraw/zinc/50/36/92/598503692.db2.gz AROJJKYLZMOQDR-UHFFFAOYSA-N 0 0 394.351 2.789 20 5 GFBDRN O=C1[C@@H](Sc2ccc(-c3nn[nH]n3)cc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000738295620 598582941 /nfs/dbraw/zinc/58/29/41/598582941.db2.gz IYOJHMCPIBBHAK-HNNXBMFYSA-N 0 0 382.405 2.673 20 5 GFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nn[nH]n2)c1 ZINC000738370923 598613803 /nfs/dbraw/zinc/61/38/03/598613803.db2.gz SNVOQJJENCHPEL-AWEZNQCLSA-N 0 0 380.364 2.845 20 5 GFBDRN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000737833578 598653762 /nfs/dbraw/zinc/65/37/62/598653762.db2.gz WPQWMTHOXMOULT-UHFFFAOYSA-N 0 0 396.407 2.640 20 5 GFBDRN CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736638155 598704278 /nfs/dbraw/zinc/70/42/78/598704278.db2.gz VNIXALAONQNURN-UHFFFAOYSA-N 0 0 387.327 2.670 20 5 GFBDRN O=[N+]([O-])c1cc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000738358187 598765683 /nfs/dbraw/zinc/76/56/83/598765683.db2.gz ANKAMCKZOJGFQR-UHFFFAOYSA-N 0 0 386.437 2.880 20 5 GFBDRN O=C(CSc1ccc(-c2nn[nH]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737949021 598779868 /nfs/dbraw/zinc/77/98/68/598779868.db2.gz VNUGLXIOAARNBG-UHFFFAOYSA-N 0 0 389.368 2.750 20 5 GFBDRN Cc1nn(-c2ccccc2)c(C)c1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000822486346 599316279 /nfs/dbraw/zinc/31/62/79/599316279.db2.gz HDNUIWYDFDXDJG-UHFFFAOYSA-N 0 0 391.395 2.585 20 5 GFBDRN O=[N+]([O-])c1cccc(N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)c1 ZINC000738367996 599410665 /nfs/dbraw/zinc/41/06/65/599410665.db2.gz AZVOBZQOZKXBRA-UHFFFAOYSA-N 0 0 385.815 2.755 20 5 GFBDRN COc1ccc(-c2nn[nH]n2)cc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821741988 607410447 /nfs/dbraw/zinc/41/04/47/607410447.db2.gz WNVWRAODAURSCX-WTKPLQERSA-N 0 0 381.348 2.540 20 5 GFBDRN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000477832840 600316560 /nfs/dbraw/zinc/31/65/60/600316560.db2.gz DYUIQGCKWHMAQD-XPKDYRNWSA-N 0 0 389.408 2.611 20 5 GFBDRN CC[C@@]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000736919449 600318554 /nfs/dbraw/zinc/31/85/54/600318554.db2.gz ZBVNKIIMNQSDOK-FQEVSTJZSA-N 0 0 399.403 2.873 20 5 GFBDRN C[C@H]([NH2+][C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC000827727404 600692573 /nfs/dbraw/zinc/69/25/73/600692573.db2.gz JKXFCMNBPMXOPX-HZMBPMFUSA-N 0 0 375.406 2.811 20 5 GFBDRN O=C(Nc1ncc2cc(-c3nn[nH]n3)ccc2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826460611 607468622 /nfs/dbraw/zinc/46/86/22/607468622.db2.gz KEPYMGDDFCONSB-UHFFFAOYSA-N 0 0 396.754 2.624 20 5 GFBDRN COc1cc2c(cc1CNc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000821727970 607469867 /nfs/dbraw/zinc/46/98/67/607469867.db2.gz QBKUXBJJIOSMKQ-JTQLQIEISA-N 0 0 382.380 2.719 20 5 GFBDRN 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CCNc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000825480748 607595075 /nfs/dbraw/zinc/59/50/75/607595075.db2.gz IZDQDQGHGZMLMF-UHFFFAOYSA-N 0 0 398.379 2.572 20 5 GFBDRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000825649975 603627728 /nfs/dbraw/zinc/62/77/28/603627728.db2.gz ASVOPCQMGGFLBA-LLVKDONJSA-N 0 0 377.401 2.931 20 5 GFBDRN CN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833685442 605182138 /nfs/dbraw/zinc/18/21/38/605182138.db2.gz HVEQDROKWUOPFF-GOSISDBHSA-N 0 0 385.420 2.999 20 5 GFBDRN O=C([O-])NC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000834205697 605666343 /nfs/dbraw/zinc/66/63/43/605666343.db2.gz GKBNNVHSZDWDBB-HNNXBMFYSA-N 0 0 389.412 2.951 20 5 GFBDRN COc1ccc(CNc2nc3ccccc3cc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821825376 606054546 /nfs/dbraw/zinc/05/45/46/606054546.db2.gz YYWMXSZDAZBZQW-UHFFFAOYSA-N 0 0 377.364 2.944 20 5 GFBDRN Nc1nc(Oc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)ncc1[N+](=O)[O-] ZINC000822907607 606242302 /nfs/dbraw/zinc/24/23/02/606242302.db2.gz VEKNRCUVNKYYDD-UHFFFAOYSA-N 0 0 392.335 2.732 20 5 GFBDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000821123130 606280159 /nfs/dbraw/zinc/28/01/59/606280159.db2.gz KODKHZWUUKTLQT-UHFFFAOYSA-N 0 0 397.395 2.858 20 5 GFBDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1cc(-c2nn[nH]n2)ccc1F ZINC000823082607 606374651 /nfs/dbraw/zinc/37/46/51/606374651.db2.gz LRZWQKXMEQHLOG-UHFFFAOYSA-N 0 0 391.746 2.853 20 5 GFBDRN CC(C)(NC(=S)Nc1ccccc1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819987595 606415241 /nfs/dbraw/zinc/41/52/41/606415241.db2.gz AZNSPMNZTAWCDO-UHFFFAOYSA-N 0 0 383.437 2.997 20 5 GFBDRN O=[N+]([O-])c1cnc(NCc2cccc(-c3nn[nH]n3)c2)c(Br)c1 ZINC000823651934 606431522 /nfs/dbraw/zinc/43/15/22/606431522.db2.gz RZWDHVLHURBSMC-UHFFFAOYSA-N 0 0 376.174 2.545 20 5 GFBDRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822228598 606543326 /nfs/dbraw/zinc/54/33/26/606543326.db2.gz ACNWYTRRDQEJBW-OLZOCXBDSA-N 0 0 396.407 2.728 20 5 GFBDRN CC(C)(NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987824 606545184 /nfs/dbraw/zinc/54/51/84/606545184.db2.gz NEHPHVVALKGTBQ-UHFFFAOYSA-N 0 0 398.448 2.919 20 5 GFBDRN O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[nH]n3)cc2OC(F)F)c1 ZINC000823557346 606591677 /nfs/dbraw/zinc/59/16/77/606591677.db2.gz KDCPWRPGGDEDJF-UHFFFAOYSA-N 0 0 391.290 2.768 20 5 GFBDRN Cc1nc(C2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)sc1C ZINC000822436268 606705180 /nfs/dbraw/zinc/70/51/80/606705180.db2.gz KFJOMBGMYOONBJ-UHFFFAOYSA-N 0 0 386.441 2.627 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000823620053 606705517 /nfs/dbraw/zinc/70/55/17/606705517.db2.gz HKARFLLJYWYENR-UHFFFAOYSA-N 0 0 383.387 2.768 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(OC2CCCCC2)nc1 ZINC000823624537 606706152 /nfs/dbraw/zinc/70/61/52/606706152.db2.gz BYHQJNXKAFKZTL-UHFFFAOYSA-N 0 0 396.411 2.889 20 5 GFBDRN CC(C)(C)OC(=O)c1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000819945863 606713063 /nfs/dbraw/zinc/71/30/63/606713063.db2.gz HAYRMFYEDHVFIZ-UHFFFAOYSA-N 0 0 397.395 2.737 20 5 GFBDRN Cc1nc(NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)ccc1[N+](=O)[O-] ZINC000822449681 606813230 /nfs/dbraw/zinc/81/32/30/606813230.db2.gz JZQADYOLECSNCX-INIZCTEOSA-N 0 0 397.395 2.520 20 5 GFBDRN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000823123206 606997133 /nfs/dbraw/zinc/99/71/33/606997133.db2.gz RXKSJGDSEWHKPC-UHFFFAOYSA-N 0 0 396.338 2.612 20 5 GFBDRN CSc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821977330 607072160 /nfs/dbraw/zinc/07/21/60/607072160.db2.gz FPLWHISAPNYEFL-UHFFFAOYSA-N 0 0 389.368 2.993 20 5 GFBDRN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1ccc(OCC(F)(F)F)cc1 ZINC000823624749 607166878 /nfs/dbraw/zinc/16/68/78/607166878.db2.gz ICONCDJLNSQOEI-UHFFFAOYSA-N 0 0 381.274 2.855 20 5 GFBDRN Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000799792597 607866398 /nfs/dbraw/zinc/86/63/98/607866398.db2.gz BHRUBPRXLHXKAW-UHFFFAOYSA-N 0 0 395.784 2.504 20 5 GFBDRN CC(=O)c1ccc2c(c1)CCN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC000824029707 607903659 /nfs/dbraw/zinc/90/36/59/607903659.db2.gz PWSDCYPZRSZSRZ-UHFFFAOYSA-N 0 0 378.392 2.583 20 5 GFBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c(-c2nn[nH]n2)c1 ZINC000826498649 607969083 /nfs/dbraw/zinc/96/90/83/607969083.db2.gz DLJJEJPXSKRTRA-AWEZNQCLSA-N 0 0 394.313 2.939 20 5 GFBDRN Cc1c(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cccc1[N+](=O)[O-] ZINC000826236223 608068982 /nfs/dbraw/zinc/06/89/82/608068982.db2.gz CTVITVRXCKWHBO-GOSISDBHSA-N 0 0 380.408 2.657 20 5 GFBDRN Cc1c(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000826243135 608101275 /nfs/dbraw/zinc/10/12/75/608101275.db2.gz WAFJFXRXJCJXTM-UHFFFAOYSA-N 0 0 394.800 2.538 20 5 GFBDRN COc1ccccc1OC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 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379.214 2.827 20 5 GFBDRN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCS(=O)(=O)C1CCOCC1 ZINC000824903872 660404675 /nfs/dbraw/zinc/40/46/75/660404675.db2.gz OKTZBRGKNZDNMU-UHFFFAOYSA-N 0 0 397.280 2.585 20 5 GFBDRN COCCC1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000827007742 660475498 /nfs/dbraw/zinc/47/54/98/660475498.db2.gz NZWLEKKUHQIQJW-UHFFFAOYSA-N 0 0 386.246 2.828 20 5 GFBDRN Cn1nc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br ZINC000827081609 660478186 /nfs/dbraw/zinc/47/81/86/660478186.db2.gz NBBMQWOXKMVXCN-UHFFFAOYSA-N 0 0 379.214 2.896 20 5 GFBDRN O=[N+]([O-])c1ccc(OS(=O)(=O)CCOCC2CCC2)c(Br)c1 ZINC000827184010 660482720 /nfs/dbraw/zinc/48/27/20/660482720.db2.gz VJHDQPYEPNSCOJ-UHFFFAOYSA-N 0 0 394.243 2.883 20 5 GFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000828203236 660539121 /nfs/dbraw/zinc/53/91/21/660539121.db2.gz BGRVPSBFTAVCDH-DVVUODLYSA-N 0 0 375.244 2.824 20 5 GFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC([C@@H]2CCOC2)CC1 ZINC000828273611 660541768 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NC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000756524196 655901234 /nfs/dbraw/zinc/90/12/34/655901234.db2.gz CWFQNKRDWSQKEP-UHFFFAOYSA-N 0 0 393.193 2.742 20 5 GFBDRN COc1c(Br)c([N+](=O)[O-])c(NCc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000756950706 655907811 /nfs/dbraw/zinc/90/78/11/655907811.db2.gz XFWKZDQTKBLNLK-UHFFFAOYSA-N 0 0 398.173 2.985 20 5 GFBDRN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000758439363 655932782 /nfs/dbraw/zinc/93/27/82/655932782.db2.gz UMHBBTTYVUYVJK-SECBINFHSA-N 0 0 382.916 2.684 20 5 GFBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000758438407 655932788 /nfs/dbraw/zinc/93/27/88/655932788.db2.gz NFAGHJKMLGDYBC-VIFPVBQESA-N 0 0 382.916 2.684 20 5 GFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000758493104 655934183 /nfs/dbraw/zinc/93/41/83/655934183.db2.gz GMVRWOIOQOIVBE-ZLDLUXBVSA-N 0 0 388.536 2.870 20 5 GFBDRN CC(C)S(=O)(=O)CCCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000758908282 655943210 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C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(Cl)(Cl)Cl ZINC000761163113 656001296 /nfs/dbraw/zinc/00/12/96/656001296.db2.gz OMCDPTKRUDRGON-ZETCQYMHSA-N 0 0 397.598 2.622 20 5 GFBDRN COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000761981894 656027119 /nfs/dbraw/zinc/02/71/19/656027119.db2.gz TYTAMFLHBCNAQW-UHFFFAOYSA-N 0 0 395.165 2.801 20 5 GFBDRN Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)c(Br)c1 ZINC000761981541 656027182 /nfs/dbraw/zinc/02/71/82/656027182.db2.gz GJCYTAGBWIJOPC-UHFFFAOYSA-N 0 0 394.181 2.856 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762521187 656045611 /nfs/dbraw/zinc/04/56/11/656045611.db2.gz CMSOTNLEZKFZSL-SUZMYJTESA-N 0 0 394.927 2.906 20 5 GFBDRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762521185 656045747 /nfs/dbraw/zinc/04/57/47/656045747.db2.gz CMSOTNLEZKFZSL-IRUJWGPZSA-N 0 0 394.927 2.906 20 5 GFBDRN O=C(OCC(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000763017780 656068493 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385.214 2.773 20 5 GFBDRN CC(C)CCC(=O)NCC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773416484 656445269 /nfs/dbraw/zinc/44/52/69/656445269.db2.gz RGXYRCJNFHSZIQ-UHFFFAOYSA-N 0 0 387.230 2.953 20 5 GFBDRN CC(=O)N1CC[C@@](C)(C(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000773441176 656447577 /nfs/dbraw/zinc/44/75/77/656447577.db2.gz TYKFILRVONURFP-OAHLLOKOSA-N 0 0 385.214 2.659 20 5 GFBDRN CN(CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000773462435 656450138 /nfs/dbraw/zinc/45/01/38/656450138.db2.gz XKTHPSPANWLJPH-LLVKDONJSA-N 0 0 389.271 2.838 20 5 GFBDRN CO[C@H](C)c1noc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000773604529 656461615 /nfs/dbraw/zinc/46/16/15/656461615.db2.gz VQHXCOMERBPKRS-RXMQYKEDSA-N 0 0 392.187 2.866 20 5 GFBDRN Cn1cc([N+](=O)[O-])c(C(=O)Oc2cnc3ccc(Br)cc3c2)n1 ZINC000774894297 656566973 /nfs/dbraw/zinc/56/69/73/656566973.db2.gz KTWSDSLPSPLJOA-UHFFFAOYSA-N 0 0 377.154 2.858 20 5 GFBDRN C[C@@H]1CCCc2nc(S(=O)(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cn21 ZINC000841503155 661276646 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663680357 /nfs/dbraw/zinc/68/03/57/663680357.db2.gz DCXXGUVOACTASJ-QMMMGPOBSA-N 0 0 390.198 2.781 20 5 GFBDRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900492180 663715611 /nfs/dbraw/zinc/71/56/11/663715611.db2.gz MHPXQUQRQKCDHB-LLVKDONJSA-N 0 0 389.836 2.817 20 5 GFBDRN O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1Br ZINC000900689766 663719753 /nfs/dbraw/zinc/71/97/53/663719753.db2.gz DEHXIIBESGDPQP-NSHDSACASA-N 0 0 399.241 2.815 20 5 GFBDRN O=C([O-])[C@@H]1CSCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901888892 663749434 /nfs/dbraw/zinc/74/94/34/663749434.db2.gz FOELEUFWQFYKFI-LBPRGKRZSA-N 0 0 379.463 2.968 20 5 GFBDRN Cn1cc(CSCc2ccc(S(=O)(=O)C(F)F)cc2)c([N+](=O)[O-])n1 ZINC000902310029 663758889 /nfs/dbraw/zinc/75/88/89/663758889.db2.gz HIXSQPBZZRYEEF-UHFFFAOYSA-N 0 0 377.394 2.758 20 5 GFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000904909576 663847329 /nfs/dbraw/zinc/84/73/29/663847329.db2.gz SECGXXKTCDJVPM-UHFFFAOYSA-N 0 0 379.214 2.990 20 5 GFBDRN Cc1cc(S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)c(F)cc1[N+](=O)[O-] ZINC000908132644 664086688 /nfs/dbraw/zinc/08/66/88/664086688.db2.gz SLJNGPVTQXZWSG-LLVKDONJSA-N 0 0 385.442 2.752 20 5 GFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCCCC[C@H]1CO ZINC000911953762 664263552 /nfs/dbraw/zinc/26/35/52/664263552.db2.gz UYRBWSNHFYHEAH-JTQLQIEISA-N 0 0 375.194 2.874 20 5 GFBDRN O=C(/C=C\c1ccsc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000915600064 664434938 /nfs/dbraw/zinc/43/49/38/664434938.db2.gz AYQBFCDDCYRPLL-IWQZZHSRSA-N 0 0 377.447 2.716 20 5 GFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000917855685 664490941 /nfs/dbraw/zinc/49/09/41/664490941.db2.gz ATOINXWHQCIBCM-UHFFFAOYSA-N 0 0 389.744 2.942 20 5 GFBDRN C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@@H](c2ccccc2)O1 ZINC000920305177 664525009 /nfs/dbraw/zinc/52/50/09/664525009.db2.gz BLYSWWAWNRGLLB-RISCZKNCSA-N 0 0 381.230 2.973 20 5 GFBDRN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC000921374128 664544921 /nfs/dbraw/zinc/54/49/21/664544921.db2.gz ASAXMQRYCPSDFA-LLVKDONJSA-N 0 0 385.442 2.834 20 5 GFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H](Cc2nccs2)C1 ZINC000921374356 664545030 /nfs/dbraw/zinc/54/50/30/664545030.db2.gz JLIKPXNXQYWBQQ-LLVKDONJSA-N 0 0 385.442 2.834 20 5 GFBDRN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000921374801 664545067 /nfs/dbraw/zinc/54/50/67/664545067.db2.gz XZHXMSDTOZRVHK-AWEZNQCLSA-N 0 0 381.479 2.836 20 5 GFBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1CC2(CCC2)CO1 ZINC000924113170 664647516 /nfs/dbraw/zinc/64/75/16/664647516.db2.gz QYHAHBUKYRTLQL-LBPRGKRZSA-N 0 0 383.242 2.975 20 5 GFBDRN COc1ccc(COC(=O)C2(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000924217510 664651283 /nfs/dbraw/zinc/65/12/83/664651283.db2.gz PTLJHJMSMAVJGB-UHFFFAOYSA-N 0 0 396.197 2.795 20 5 GFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC000928352687 664728282 /nfs/dbraw/zinc/72/82/82/664728282.db2.gz AYPYYXBWWKBOLE-GFCCVEGCSA-N 0 0 394.229 2.946 20 5 GFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928365045 664731578 /nfs/dbraw/zinc/73/15/78/664731578.db2.gz UMUBGQRMHPWLAG-AWEZNQCLSA-N 0 0 394.229 2.703 20 5 GFBDRN Cn1nccc1[C@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000928366788 664731728 /nfs/dbraw/zinc/73/17/28/664731728.db2.gz QOHXEFCMCXXEJX-CQSZACIVSA-N 0 0 393.241 2.997 20 5 GFBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)CC1 ZINC000929591881 664754747 /nfs/dbraw/zinc/75/47/47/664754747.db2.gz NKNMAJVZASCHDE-UHFFFAOYSA-N 0 0 379.766 2.887 20 5 GFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](C2OCCO2)C1 ZINC000930547278 664772809 /nfs/dbraw/zinc/77/28/09/664772809.db2.gz WJFKZFHIIYQASI-VIFPVBQESA-N 0 0 386.202 2.584 20 5 GFBDRN O=C1CCCN1C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931059734 664784231 /nfs/dbraw/zinc/78/42/31/664784231.db2.gz PTSOIIXSLICOCF-GFCCVEGCSA-N 0 0 382.258 2.802 20 5 GFBDRN O=C(CN[C@@H]([C@H]1CCOC1)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933006949 664846921 /nfs/dbraw/zinc/84/69/21/664846921.db2.gz DIZLKGPVCUNNTG-SDBXPKJASA-N 0 0 381.738 2.744 20 5 GFBDRN O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934785105 664921744 /nfs/dbraw/zinc/92/17/44/664921744.db2.gz DYRGEFZTXXTOHQ-ZIAGYGMSSA-N 0 0 378.372 2.536 20 5 GFBDRN Nc1c(Br)cc(C(=O)N2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000935263507 664949178 /nfs/dbraw/zinc/94/91/78/664949178.db2.gz OYIIISDWZQOBGG-ZDUSSCGKSA-N 0 0 398.257 2.971 20 5 GFBDRN CCS(=O)(=O)C1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000935677598 664980504 /nfs/dbraw/zinc/98/05/04/664980504.db2.gz ODSQXMNZPUUBGV-UHFFFAOYSA-N 0 0 388.873 2.607 20 5 GFBDRN