smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000000028149 175173849 /nfs/dbraw/zinc/17/38/49/175173849.db2.gz FGSKHRBOXIIWTN-UHFFFAOYSA-N 0 0 245.234 3.396 40 5 BGBBRN O=[N+]([O-])c1ccc2cccc(Cl)c2c1 ZINC000000039953 344016295 /nfs/dbraw/zinc/01/62/95/344016295.db2.gz GGHRRMKLOHCQEP-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1ccc2c(c1)CCc1ccccc1-2 ZINC000000133349 363284745 /nfs/dbraw/zinc/28/47/45/363284745.db2.gz IMIZVPSPWHGFCM-UHFFFAOYSA-N 0 0 225.247 3.360 40 5 BGBBRN O=[N+]([O-])/C(=C/c1ccccc1)c1ccccc1 ZINC000000164479 182917780 /nfs/dbraw/zinc/91/77/80/182917780.db2.gz QIFBVYLHLLTNLI-SDNWHVSQSA-N 0 0 225.247 3.461 40 5 BGBBRN Cc1cn(-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000297752 344676723 /nfs/dbraw/zinc/67/67/23/344676723.db2.gz DYIRDMREVBPJLG-UHFFFAOYSA-N 0 0 216.240 3.002 40 5 BGBBRN Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000332370 187383932 /nfs/dbraw/zinc/38/39/32/187383932.db2.gz GTPDCZXPNKYFHC-UHFFFAOYSA-N 0 0 241.246 3.134 40 5 BGBBRN O=[N+]([O-])c1ccc(C[C@H]2CC2(Cl)Cl)cc1 ZINC000000375056 344733837 /nfs/dbraw/zinc/73/38/37/344733837.db2.gz JFLNCNPFYVDSCN-QMMMGPOBSA-N 0 0 246.093 3.331 40 5 BGBBRN O=[N+]([O-])c1ccc(C[C@@H]2CC2(Cl)Cl)cc1 ZINC000000375062 344734033 /nfs/dbraw/zinc/73/40/33/344734033.db2.gz JFLNCNPFYVDSCN-MRVPVSSYSA-N 0 0 246.093 3.331 40 5 BGBBRN CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001556467 172855904 /nfs/dbraw/zinc/85/59/04/172855904.db2.gz DVCSMFBQEXZMES-UHFFFAOYSA-N 0 0 242.278 3.231 40 5 BGBBRN CC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000001556592 387114196 /nfs/dbraw/zinc/11/41/96/387114196.db2.gz MTZQSMJVDMLVAV-UHFFFAOYSA-N 0 0 241.246 3.464 40 5 BGBBRN Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001558974 387115144 /nfs/dbraw/zinc/11/51/44/387115144.db2.gz OCEGGGPJZUQJSH-UHFFFAOYSA-N 0 0 243.262 3.482 40 5 BGBBRN Cc1cc([N+](=O)[O-])c(C)c(Br)c1C ZINC000001561131 178269852 /nfs/dbraw/zinc/26/98/52/178269852.db2.gz KPQBZJCFTJHRJU-UHFFFAOYSA-N 0 0 244.088 3.283 40 5 in-vitro BGBBRN COc1ccc2cc3cnccc3cc2c1OC ZINC000001561147 175226051 /nfs/dbraw/zinc/22/60/51/175226051.db2.gz ZDQCQWXDJLUPIP-UHFFFAOYSA-N 0 0 239.274 3.405 40 5 BGBBRN COc1ccc2cc3ccncc3cc2c1OC ZINC000001561336 175225789 /nfs/dbraw/zinc/22/57/89/175225789.db2.gz PENBNJPEHXNYHF-UHFFFAOYSA-N 0 0 239.274 3.405 40 5 BGBBRN c1ccc2c(c1)nn1c2ncc2ccccc21 ZINC000001566029 183455422 /nfs/dbraw/zinc/45/54/22/183455422.db2.gz YPXRRQGHFPSYRS-UHFFFAOYSA-N 0 0 219.247 3.036 40 5 BGBBRN CN(C)c1cc(=O)c2c(ccc3ccccc32)o1 ZINC000001566060 172543243 /nfs/dbraw/zinc/54/32/43/172543243.db2.gz GBBYIURNUUGRIA-UHFFFAOYSA-N 0 0 239.274 3.012 40 5 BGBBRN CN(C)c1cc(=O)c2ccc3ccccc3c2o1 ZINC000001566062 342703214 /nfs/dbraw/zinc/70/32/14/342703214.db2.gz NXOPTRFWHJTSOT-UHFFFAOYSA-N 0 0 239.274 3.012 40 5 BGBBRN Nc1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl ZINC000001569102 356955093 /nfs/dbraw/zinc/95/50/93/356955093.db2.gz NQWQPAOXALWZNO-UHFFFAOYSA-N 0 0 241.461 3.137 40 5 BGBBRN Nc1cc2ccc(O)cc2c2ccccc12 ZINC000001569678 397769686 /nfs/dbraw/zinc/76/96/86/397769686.db2.gz CCFSUVJCUMZGNO-UHFFFAOYSA-N 0 0 209.248 3.281 40 5 BGBBRN O=[N+]([O-])c1cc2c(ccc3ccccc23)o1 ZINC000001574573 356966098 /nfs/dbraw/zinc/96/60/98/356966098.db2.gz HXRMBVOCHDEAQH-UHFFFAOYSA-N 0 0 213.192 3.494 40 5 BGBBRN O=[N+]([O-])c1cc2c3ccoc3ccc2o1 ZINC000001574574 356966395 /nfs/dbraw/zinc/96/63/95/356966395.db2.gz CIZQUNGDZXJWAU-UHFFFAOYSA-N 0 0 203.153 3.087 40 5 BGBBRN O=[N+]([O-])c1cc2ccc3ccoc3c2o1 ZINC000001574575 356966212 /nfs/dbraw/zinc/96/62/12/356966212.db2.gz GSJMFAIJSAEECG-UHFFFAOYSA-N 0 0 203.153 3.087 40 5 BGBBRN OCc1cc2ccccc2c2ccccc12 ZINC000001577043 183161743 /nfs/dbraw/zinc/16/17/43/183161743.db2.gz YTBUBUXQLGFKKL-UHFFFAOYSA-N 0 0 208.260 3.485 40 5 BGBBRN NC(=O)c1cc2ccccc2c2ccccc12 ZINC000001577087 181292338 /nfs/dbraw/zinc/29/23/38/181292338.db2.gz RKCQJTTZAYJPKC-UHFFFAOYSA-N 0 0 221.259 3.092 40 5 BGBBRN Cc1c2ccccc2c2ccccc2c1C(N)=O ZINC000001578677 177574029 /nfs/dbraw/zinc/57/40/29/177574029.db2.gz QKHREYSTWBGFFS-UHFFFAOYSA-N 0 0 235.286 3.400 40 5 BGBBRN Cc1ccsc1C(=O)c1ccccc1[N+](=O)[O-] ZINC000001580200 356978527 /nfs/dbraw/zinc/97/85/27/356978527.db2.gz NYDMHDLMTWFNRD-UHFFFAOYSA-N 0 0 247.275 3.196 40 5 BGBBRN O=[N+]([O-])c1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC000001592340 356983610 /nfs/dbraw/zinc/98/36/10/356983610.db2.gz UUTBZRQFTBBPFY-UHFFFAOYSA-N 0 0 247.200 3.444 40 5 BGBBRN O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc21 ZINC000001640985 187926471 /nfs/dbraw/zinc/92/64/71/187926471.db2.gz BVDZJEJLGLITID-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN COc1ccc2ccc3oc(=O)c(C)cc3c2c1 ZINC000001646585 175225254 /nfs/dbraw/zinc/22/52/54/175225254.db2.gz GCMWRZRNFGLGQA-UHFFFAOYSA-N 0 0 240.258 3.263 40 5 BGBBRN O=[N+]([O-])c1ccc(-c2ccccc2)c([N+](=O)[O-])c1 ZINC000001648210 357045827 /nfs/dbraw/zinc/04/58/27/357045827.db2.gz DBTRHJMMJLOORC-UHFFFAOYSA-N 0 0 244.206 3.170 40 5 BGBBRN Nc1ccc2c(c1)[nH]c1cc3ccc(N)cc3nc12 ZINC000001648668 342707142 /nfs/dbraw/zinc/70/71/42/342707142.db2.gz VXJCEYHNPBHQOS-UHFFFAOYSA-N 0 0 248.289 3.034 40 5 BGBBRN O=c1c2cnccc2cc2c3ccccc3ccn21 ZINC000001648896 342707026 /nfs/dbraw/zinc/70/70/26/342707026.db2.gz MHAOLOCIMUJCIB-UHFFFAOYSA-N 0 0 246.269 3.001 40 5 BGBBRN Cc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000001656029 357067619 /nfs/dbraw/zinc/06/76/19/357067619.db2.gz WOVNZYUOPUALPT-UHFFFAOYSA-N 0 0 238.243 3.109 40 5 BGBBRN O=[N+]([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000001666537 182941547 /nfs/dbraw/zinc/94/15/47/182941547.db2.gz CKAGNBSBBQJLCI-UHFFFAOYSA-N 0 0 211.220 3.166 40 5 in-vitro BGBBRN NC(=O)c1ccc2ccc3ccccc3c2c1 ZINC000001666558 181302169 /nfs/dbraw/zinc/30/21/69/181302169.db2.gz VJLPGQYJETUIQE-UHFFFAOYSA-N 0 0 221.259 3.092 40 5 BGBBRN Cc1nc2ccccc2c2c(N)cccc12 ZINC000001683336 180101322 /nfs/dbraw/zinc/10/13/22/180101322.db2.gz VAPUUTKGROVHHN-UHFFFAOYSA-N 0 0 208.264 3.279 40 5 BGBBRN CC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000001683793 166445281 /nfs/dbraw/zinc/44/52/81/166445281.db2.gz FRVFMCRPKGKETG-UHFFFAOYSA-N 0 0 234.038 3.104 40 5 BGBBRN O=[N+]([O-])c1cc2c(cc1F)-c1ccc(F)cc1C2 ZINC000001688079 357134199 /nfs/dbraw/zinc/13/41/99/357134199.db2.gz JKNITGKNXVGUOQ-UHFFFAOYSA-N 0 0 247.200 3.444 40 5 BGBBRN NC(=O)c1ccc2c(ccc3ccccc32)c1 ZINC000001688636 181302433 /nfs/dbraw/zinc/30/24/33/181302433.db2.gz PTDNMMRRZVLGHU-UHFFFAOYSA-N 0 0 221.259 3.092 40 5 BGBBRN COc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2 ZINC000001690484 175026485 /nfs/dbraw/zinc/02/64/85/175026485.db2.gz NDCKSMOIMGZEBT-UHFFFAOYSA-N 0 0 241.246 3.175 40 5 BGBBRN O=[N+]([O-])c1ccc([C@H]2O[C@@H]2c2ccccc2)cc1 ZINC000001694075 357154374 /nfs/dbraw/zinc/15/43/74/357154374.db2.gz YUZKNYLREGXARL-ZIAGYGMSSA-N 0 0 241.246 3.407 40 5 BGBBRN c1ccc2c(c1)c1ncccc1c1nccnc21 ZINC000001705826 183454886 /nfs/dbraw/zinc/45/48/86/183454886.db2.gz JVIFQXVGBFXTSC-UHFFFAOYSA-N 0 0 231.258 3.331 40 5 BGBBRN O=[N+]([O-])c1cccc([C@@H]2ON2C2CCCCC2)c1 ZINC000001705852 357165096 /nfs/dbraw/zinc/16/50/96/357165096.db2.gz IOXPEEMDMAXKEF-LSLKUGRBSA-N 0 0 248.282 3.173 40 5 BGBBRN O=[N+]([O-])c1ccc([C@@H]2ON2C2CCCCC2)cc1 ZINC000001705857 357165258 /nfs/dbraw/zinc/16/52/58/357165258.db2.gz UWJWLMHGUVILAG-LSLKUGRBSA-N 0 0 248.282 3.173 40 5 BGBBRN C[N+]([O-])(Cc1ccccc1)c1ccccc1 ZINC000001708229 383928115 /nfs/dbraw/zinc/92/81/15/383928115.db2.gz WHLSOVHVOUNRFG-UHFFFAOYSA-N 0 0 213.280 3.322 40 5 BGBBRN O=[N+]([O-])c1ccc2c(c1)O[C@H](c1ccccc1)O2 ZINC000001717498 487724789 /nfs/dbraw/zinc/72/47/89/487724789.db2.gz QFNFYACVAFGVLP-CYBMUJFWSA-N 0 0 243.218 3.065 40 5 BGBBRN O=[N+]([O-])c1ccc([C@H]2ON2c2ccccc2)cc1 ZINC000001719096 187245603 /nfs/dbraw/zinc/24/56/03/187245603.db2.gz UXGNBGDQDYXLPU-KWCCSABGSA-N 0 0 242.234 3.045 40 5 BGBBRN O=[N+]([O-])c1ccc([C@@H]2ON2c2ccccc2)cc1 ZINC000001719098 357171846 /nfs/dbraw/zinc/17/18/46/357171846.db2.gz UXGNBGDQDYXLPU-LSLKUGRBSA-N 0 0 242.234 3.045 40 5 BGBBRN O=c1c2cccc3ccc4cccc1c4c23 ZINC000001719713 182987030 /nfs/dbraw/zinc/98/70/30/182987030.db2.gz IFCBMPOMNSORDG-UHFFFAOYSA-N 0 0 204.228 3.382 40 5 BGBBRN O=[N+]([O-])c1ccc(C2SCCCS2)cc1 ZINC000001719805 357171880 /nfs/dbraw/zinc/17/18/80/357171880.db2.gz LVGOSUIURNNECQ-UHFFFAOYSA-N 0 0 241.337 3.464 40 5 BGBBRN O=[N+]([O-])c1ccc(O[P@]2(=O)C=CCC2)cc1 ZINC000001719976 357172135 /nfs/dbraw/zinc/17/21/35/357172135.db2.gz MNAXXBUIBZRUSH-MRXNPFEDSA-N 0 0 239.167 3.169 40 5 BGBBRN Nc1ccccc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000001721159 357180571 /nfs/dbraw/zinc/18/05/71/357180571.db2.gz BQLSLQJKWOJPJV-UHFFFAOYSA-N 0 0 248.669 3.497 40 5 BGBBRN O=[N+]([O-])[C@H]1CC12c1ccccc1-c1ccccc12 ZINC000001722442 357180915 /nfs/dbraw/zinc/18/09/15/357180915.db2.gz UQJXUNBFXGVJRB-AWEZNQCLSA-N 0 0 237.258 3.002 40 5 BGBBRN O=[N+]([O-])c1ccc([C@H]2O[C@H]2c2ccccc2)cc1 ZINC000001728002 357182171 /nfs/dbraw/zinc/18/21/71/357182171.db2.gz YUZKNYLREGXARL-UONOGXRCSA-N 0 0 241.246 3.407 40 5 BGBBRN O=[N+]([O-])c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1 ZINC000001728003 188100281 /nfs/dbraw/zinc/10/02/81/188100281.db2.gz YUZKNYLREGXARL-KBPBESRZSA-N 0 0 241.246 3.407 40 5 in-vitro BGBBRN O=[N+]([O-])c1ccc([C@@H]2O[C@@H]2c2ccccc2)cc1 ZINC000001728004 357182308 /nfs/dbraw/zinc/18/23/08/357182308.db2.gz YUZKNYLREGXARL-KGLIPLIRSA-N 0 0 241.246 3.407 40 5 BGBBRN Nc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000001749018 358099683 /nfs/dbraw/zinc/09/96/83/358099683.db2.gz GQSCACVFRHCRBH-SNAWJCMRSA-N 0 0 240.262 3.347 40 5 BGBBRN Nc1cccc(/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000001749038 358099892 /nfs/dbraw/zinc/09/98/92/358099892.db2.gz FFBUZZYRZRFBFQ-BQYQJAHWSA-N 0 0 240.262 3.347 40 5 BGBBRN O=[N+]([O-])c1ccc2c(c1)[nH]c1ccccc12 ZINC000001767997 358441726 /nfs/dbraw/zinc/44/17/26/358441726.db2.gz RSSFRJAJZYDBDI-UHFFFAOYSA-N 0 0 212.208 3.229 40 5 BGBBRN O=[N+]([O-])c1cccc(SC(F)(F)F)c1 ZINC000001847504 188274077 /nfs/dbraw/zinc/27/40/77/188274077.db2.gz LCYLLPJRCOQTHG-UHFFFAOYSA-N 0 0 223.175 3.207 40 5 BGBBRN O=[N+]([O-])c1cc(Cl)cc2cc(Cl)cnc21 ZINC000001856927 358975314 /nfs/dbraw/zinc/97/53/14/358975314.db2.gz HZYKVJJNFZDQPX-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN Cc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002382348 388674752 /nfs/dbraw/zinc/67/47/52/388674752.db2.gz HMRYPTHOPWUPOB-UHFFFAOYSA-N 0 0 219.162 3.230 40 5 BGBBRN COc1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000002513834 363297673 /nfs/dbraw/zinc/29/76/73/363297673.db2.gz DFVBQSMLKLCRCB-UHFFFAOYSA-N 0 0 229.235 3.270 40 5 BGBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000002571661 358737695 /nfs/dbraw/zinc/73/76/95/358737695.db2.gz MUUCOWULQJLJNZ-UHFFFAOYSA-N 0 0 241.246 3.134 40 5 in-vitro BGBBRN CCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003079584 371863968 /nfs/dbraw/zinc/86/39/68/371863968.db2.gz LIIHMDAWTLFFJF-UHFFFAOYSA-N 0 0 240.309 3.317 40 5 BGBBRN COc1cc(O)cc2ccc3cccc(O)c3c21 ZINC000003647376 175006390 /nfs/dbraw/zinc/00/63/90/175006390.db2.gz LVOCAIKGDCMNNK-UHFFFAOYSA-N 0 0 240.258 3.413 40 5 biogenic,in-vitro BGBBRN O=C1Nc2ccc3cc4ccccc4cc3c2C1=O ZINC000003844872 384027790 /nfs/dbraw/zinc/02/77/90/384027790.db2.gz BPCBNZRHEBHNHF-UHFFFAOYSA-N 0 0 247.253 3.128 40 5 BGBBRN O=c1ccc2cc3ccccc3cc2cc1 ZINC000003847106 183001219 /nfs/dbraw/zinc/00/12/19/183001219.db2.gz KXGQRCFOUZULCD-UHFFFAOYSA-N 0 0 206.244 3.353 40 5 BGBBRN CSc1nc(N)c2c(ccc3ccccc32)n1 ZINC000004244991 175588124 /nfs/dbraw/zinc/58/81/24/175588124.db2.gz JQMCCQIIGTWVPJ-UHFFFAOYSA-N 0 0 241.319 3.087 40 5 BGBBRN CC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000004299141 388398500 /nfs/dbraw/zinc/39/85/00/388398500.db2.gz SRGQWUHXQVTLLA-UHFFFAOYSA-N 0 0 245.234 3.366 40 5 BGBBRN CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000004299142 388398159 /nfs/dbraw/zinc/39/81/59/388398159.db2.gz GYOQJILIWVAULF-UHFFFAOYSA-N 0 0 245.234 3.366 40 5 BGBBRN CC(=O)Nc1c(C)cc([N+](=O)[O-])c2ccccc21 ZINC000004748040 344154858 /nfs/dbraw/zinc/15/48/58/344154858.db2.gz CHVQNZWUGKWRHP-UHFFFAOYSA-N 0 0 244.250 3.015 40 5 BGBBRN Nc1cccc(/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000004773457 344205714 /nfs/dbraw/zinc/20/57/14/344205714.db2.gz GQSCACVFRHCRBH-PLNGDYQASA-N 0 0 240.262 3.347 40 5 BGBBRN Cc1noc(/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000004820282 180460567 /nfs/dbraw/zinc/46/05/67/180460567.db2.gz SDCPXLWJUGXAEK-FPLPWBNLSA-N 0 0 230.223 3.062 40 5 BGBBRN CNc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000004823075 384618248 /nfs/dbraw/zinc/61/82/48/384618248.db2.gz LTDSADSPDPDWRR-UHFFFAOYSA-N 0 0 228.251 3.304 40 5 BGBBRN CNc1ccc(Oc2ccccc2)cc1[N+](=O)[O-] ZINC000004823076 384617984 /nfs/dbraw/zinc/61/79/84/384617984.db2.gz YBZDGUKDRPGRLP-UHFFFAOYSA-N 0 0 244.250 3.429 40 5 BGBBRN CCn1c2ccccc2c(=O)c2ccccc21 ZINC000004824927 172149247 /nfs/dbraw/zinc/14/92/47/172149247.db2.gz XLUFPCKIXLAEED-UHFFFAOYSA-N 0 0 223.275 3.175 40 5 BGBBRN CN(C)c1ccc2oc(=O)c3ccccc3c2c1 ZINC000004826299 342752607 /nfs/dbraw/zinc/75/26/07/342752607.db2.gz FYVPPRKWSFDKOR-UHFFFAOYSA-N 0 0 239.274 3.012 40 5 BGBBRN O=[N+]([O-])c1ccccc1N1CCc2ccccc21 ZINC000004905580 344804418 /nfs/dbraw/zinc/80/44/18/344804418.db2.gz RVXUURHLLXMPET-UHFFFAOYSA-N 0 0 240.262 3.289 40 5 BGBBRN O=[N+]([O-])c1ccccc1Nc1cccc(F)c1 ZINC000004933963 182952105 /nfs/dbraw/zinc/95/21/05/182952105.db2.gz UVFHTYFDGVMEAP-UHFFFAOYSA-N 0 0 232.214 3.478 40 5 BGBBRN O=[N+]([O-])[C@@H]1CC12c1ccccc1-c1ccccc12 ZINC000004983017 344882206 /nfs/dbraw/zinc/88/22/06/344882206.db2.gz UQJXUNBFXGVJRB-CQSZACIVSA-N 0 0 237.258 3.002 40 5 BGBBRN O=[N+]([O-])/C=C\c1csc2ccccc12 ZINC000004990947 346608886 /nfs/dbraw/zinc/60/88/86/346608886.db2.gz QGDOPMZVTCUICZ-WAYWQWQTSA-N 0 0 205.238 3.149 40 5 BGBBRN O=[N+]([O-])c1cccc([C@H]2ON2C2CCCCC2)c1 ZINC000005004804 344895845 /nfs/dbraw/zinc/89/58/45/344895845.db2.gz IOXPEEMDMAXKEF-KWCCSABGSA-N 0 0 248.282 3.173 40 5 BGBBRN O=[N+]([O-])c1ccc([C@H]2ON2C2CCCCC2)cc1 ZINC000005004810 187757749 /nfs/dbraw/zinc/75/77/49/187757749.db2.gz UWJWLMHGUVILAG-KWCCSABGSA-N 0 0 248.282 3.173 40 5 BGBBRN Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000005010498 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/nfs/dbraw/zinc/94/76/03/182947603.db2.gz ALQUEFFIWUNSDY-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=c1cccc2[nH]c3cccc(Cl)c3nc1-2 ZINC000032255850 183298190 /nfs/dbraw/zinc/29/81/90/183298190.db2.gz KSFBTYYNYGJPAM-UHFFFAOYSA-N 0 0 230.654 3.142 40 5 BGBBRN O=[N+]([O-])c1ccc(/C=C\c2ccc(O)cc2)cc1 ZINC000033246164 343974481 /nfs/dbraw/zinc/97/44/81/343974481.db2.gz OETQWIHJPIESQB-UPHRSURJSA-N 0 0 241.246 3.471 40 5 BGBBRN Cc1noc(/C=C\c2cccs2)c1[N+](=O)[O-] ZINC000033745168 386397362 /nfs/dbraw/zinc/39/73/62/386397362.db2.gz HWGLLYJNZYAASW-PLNGDYQASA-N 0 0 236.252 3.123 40 5 BGBBRN Cc1noc(/C=C\c2ccccc2C)c1[N+](=O)[O-] ZINC000033854453 368322021 /nfs/dbraw/zinc/32/20/21/368322021.db2.gz UOWJICZOMCIKPE-FPLPWBNLSA-N 0 0 244.250 3.370 40 5 BGBBRN O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000034226824 346230092 /nfs/dbraw/zinc/23/00/92/346230092.db2.gz NWBQMKBXBNAKQN-UHFFFAOYSA-N 0 0 241.115 3.249 40 5 BGBBRN CC(C)(C)COc1ccc([N+](=O)[O-])cc1 ZINC000034258363 387847924 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GIFITRVWCNEJPG-UHFFFAOYSA-N 0 0 237.258 3.175 40 5 BGBBRN NNc1ccc2cc3ccccc3cc2c1 ZINC000034797556 357330490 /nfs/dbraw/zinc/33/04/90/357330490.db2.gz TXDKKDLVUVUMIJ-UHFFFAOYSA-N 0 0 208.264 3.279 40 5 BGBBRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000035122224 355835366 /nfs/dbraw/zinc/83/53/66/355835366.db2.gz VWOBCIWWXZVAQS-JTQLQIEISA-N 0 0 243.266 3.163 40 5 BGBBRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000035122225 355835445 /nfs/dbraw/zinc/83/54/45/355835445.db2.gz VWOBCIWWXZVAQS-SNVBAGLBSA-N 0 0 243.266 3.163 40 5 BGBBRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000035122257 355835763 /nfs/dbraw/zinc/83/57/63/355835763.db2.gz OHGKFFMVDATVRI-JTQLQIEISA-N 0 0 243.266 3.163 40 5 BGBBRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000035122258 355835532 /nfs/dbraw/zinc/83/55/32/355835532.db2.gz OHGKFFMVDATVRI-SNVBAGLBSA-N 0 0 243.266 3.163 40 5 BGBBRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000035122656 176936606 /nfs/dbraw/zinc/93/66/06/176936606.db2.gz OPCMFTWXZYFRQC-JTQLQIEISA-N 0 0 243.266 3.163 40 5 BGBBRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000035122658 355835656 /nfs/dbraw/zinc/83/56/56/355835656.db2.gz OPCMFTWXZYFRQC-SNVBAGLBSA-N 0 0 243.266 3.163 40 5 BGBBRN O=c1c2ccccc2oc2ccc(F)cc21 ZINC000035904781 343305188 /nfs/dbraw/zinc/30/51/88/343305188.db2.gz AWMISBKXHLTLHZ-UHFFFAOYSA-N 0 0 214.195 3.085 40 5 BGBBRN CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000036559051 170171488 /nfs/dbraw/zinc/17/14/88/170171488.db2.gz JDESJJDAFRFHGJ-UHFFFAOYSA-N 0 0 235.070 3.333 40 5 BGBBRN O=[N+]([O-])c1ccccc1OCCc1cccs1 ZINC000036617326 361181104 /nfs/dbraw/zinc/18/11/04/361181104.db2.gz RJQIVZSPGNPFNI-UHFFFAOYSA-N 0 0 249.291 3.278 40 5 BGBBRN CCOc1cccc2nc3c(C)cccc3nc21 ZINC000037637248 343350287 /nfs/dbraw/zinc/35/02/87/343350287.db2.gz VQYVZANAGPTCHS-UHFFFAOYSA-N 0 0 238.290 3.490 40 5 BGBBRN COC(=O)c1cc2cc3ccccc3cc2cn1 ZINC000038255039 521918131 /nfs/dbraw/zinc/91/81/31/521918131.db2.gz IQGQGMLXGBEYBC-UHFFFAOYSA-N 0 0 237.258 3.175 40 5 BGBBRN O=[N+]([O-])c1cnc2c(Cl)cccc2c1Cl ZINC000038954198 398329107 /nfs/dbraw/zinc/32/91/07/398329107.db2.gz RQECNHYTLTWCHW-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1Cl ZINC000039171172 345951668 /nfs/dbraw/zinc/95/16/68/345951668.db2.gz LSMIOKSCDLKEJW-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN CCOc1ccc2ccccc2c1[N+](=O)[O-] ZINC000039410771 360608856 /nfs/dbraw/zinc/60/88/56/360608856.db2.gz OLTPLWKHHZTLJB-UHFFFAOYSA-N 0 0 217.224 3.147 40 5 BGBBRN CCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000039642037 343391428 /nfs/dbraw/zinc/39/14/28/343391428.db2.gz FPMSZXHIZLTHHY-UHFFFAOYSA-N 0 0 217.224 3.147 40 5 BGBBRN Cc1ccc(COc2ccccc2[N+](=O)[O-])cc1 ZINC000039650955 350344928 /nfs/dbraw/zinc/34/49/28/350344928.db2.gz BYDZTJSNSRWKDD-UHFFFAOYSA-N 0 0 243.262 3.482 40 5 BGBBRN O=[N+]([O-])c1ccc(OC2CCCCC2)cc1 ZINC000040176419 373114198 /nfs/dbraw/zinc/11/41/98/373114198.db2.gz JZCYGTUBVIJZOJ-UHFFFAOYSA-N 0 0 221.256 3.306 40 5 BGBBRN CC(C)(C)c1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000042415202 324109954 /nfs/dbraw/zinc/10/99/54/324109954.db2.gz LEOXZHWMRRDMQK-UHFFFAOYSA-N 0 0 245.282 3.282 40 5 BGBBRN COc1ccc2cc3c(C)cc(=O)oc3cc2c1 ZINC000044069502 175225630 /nfs/dbraw/zinc/22/56/30/175225630.db2.gz GWFUYESISQUIHB-UHFFFAOYSA-N 0 0 240.258 3.263 40 5 BGBBRN O=[N+]([O-])c1ccc(COc2ccccc2)c(F)c1 ZINC000044136719 368332587 /nfs/dbraw/zinc/33/25/87/368332587.db2.gz GDXYMPLENYCKKC-UHFFFAOYSA-N 0 0 247.225 3.313 40 5 BGBBRN Cc1ccc(-c2cc(N)c([N+](=O)[O-])s2)cc1 ZINC000044138684 178321819 /nfs/dbraw/zinc/32/18/19/178321819.db2.gz YGTDFCIRFLHTMK-UHFFFAOYSA-N 0 0 234.280 3.214 40 5 BGBBRN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC1 ZINC000045886328 187232884 /nfs/dbraw/zinc/23/28/84/187232884.db2.gz OWWQWXIHAOPVBU-UHFFFAOYSA-N 0 0 240.690 3.157 40 5 BGBBRN Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1C ZINC000045886362 132298560 /nfs/dbraw/zinc/29/85/60/132298560.db2.gz GFAZDIGYHMRXSW-NSHDSACASA-N 0 0 234.299 3.282 40 5 BGBBRN Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1C ZINC000045886365 132298542 /nfs/dbraw/zinc/29/85/42/132298542.db2.gz GFAZDIGYHMRXSW-LLVKDONJSA-N 0 0 234.299 3.282 40 5 BGBBRN Cc1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000045886369 132298881 /nfs/dbraw/zinc/29/88/81/132298881.db2.gz NBHJAJNCAKRPTN-UHFFFAOYSA-N 0 0 234.299 3.140 40 5 BGBBRN CCc1cc([N+](=O)[O-])cc(C)c1Br ZINC000045889809 171775392 /nfs/dbraw/zinc/77/53/92/171775392.db2.gz ZXVSKKBASIKHCJ-UHFFFAOYSA-N 0 0 244.088 3.228 40 5 BGBBRN Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1C ZINC000045957771 132300112 /nfs/dbraw/zinc/30/01/12/132300112.db2.gz DYCXCRHKNDACMV-UHFFFAOYSA-N 0 0 234.299 3.202 40 5 BGBBRN Cc1cc([N+](=O)[O-])c(N2CCC(C)CC2)cc1C ZINC000045957779 132300088 /nfs/dbraw/zinc/30/00/88/132300088.db2.gz QQLTVPXXHVJXGF-UHFFFAOYSA-N 0 0 248.326 3.448 40 5 BGBBRN CCN(CC)c1c(C)cc([N+](=O)[O-])cc1Cl ZINC000045958912 388004238 /nfs/dbraw/zinc/00/42/38/388004238.db2.gz ONPCSKQRASMSAJ-UHFFFAOYSA-N 0 0 242.706 3.403 40 5 BGBBRN O=[N+]([O-])c1ccc(F)c(-c2ccccc2)c1 ZINC000047207682 343559087 /nfs/dbraw/zinc/55/90/87/343559087.db2.gz BLGDHUAUKNHHIV-UHFFFAOYSA-N 0 0 217.199 3.401 40 5 BGBBRN O=[N+]([O-])c1c(F)cccc1OC1CCCCC1 ZINC000054268888 187272439 /nfs/dbraw/zinc/27/24/39/187272439.db2.gz QHDCSADTLWRGPV-UHFFFAOYSA-N 0 0 239.246 3.445 40 5 BGBBRN O=[N+]([O-])c1c(F)cccc1OC1CCCC1 ZINC000054268889 205469898 /nfs/dbraw/zinc/46/98/98/205469898.db2.gz LCNXZOGSJJBYBU-UHFFFAOYSA-N 0 0 225.219 3.055 40 5 BGBBRN O=[N+]([O-])c1c(F)cccc1Nc1ccccc1 ZINC000054269327 187272458 /nfs/dbraw/zinc/27/24/58/187272458.db2.gz SCIYSKBYASCGGP-UHFFFAOYSA-N 0 0 232.214 3.478 40 5 BGBBRN CN(c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000057366626 172951962 /nfs/dbraw/zinc/95/19/62/172951962.db2.gz KWGKAWQYKVEIPN-UHFFFAOYSA-N 0 0 234.299 3.364 40 5 BGBBRN C[C@@H]1C[C@H](C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000057366729 132236809 /nfs/dbraw/zinc/23/68/09/132236809.db2.gz XIZLHMIKZBOXRQ-PHIMTYICSA-N 0 0 234.299 3.077 40 5 BGBBRN C[C@H]1C[C@H](C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000057366731 132237036 /nfs/dbraw/zinc/23/70/36/132237036.db2.gz XIZLHMIKZBOXRQ-QWRGUYRKSA-N 0 0 234.299 3.077 40 5 BGBBRN C[C@@H]1C[C@@H](C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000057366732 132237100 /nfs/dbraw/zinc/23/71/00/132237100.db2.gz XIZLHMIKZBOXRQ-GHMZBOCLSA-N 0 0 234.299 3.077 40 5 BGBBRN Cc1cc(N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000059537410 343709940 /nfs/dbraw/zinc/70/99/40/343709940.db2.gz NOHZVSWQVQOSHM-UHFFFAOYSA-N 0 0 234.299 3.284 40 5 BGBBRN O=[N+]([O-])c1ccccc1OCc1cccc(F)c1 ZINC000060383283 385145256 /nfs/dbraw/zinc/14/52/56/385145256.db2.gz CEDRMRFIMWXGQW-UHFFFAOYSA-N 0 0 247.225 3.313 40 5 BGBBRN O=C1CCCCC[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000062616091 385248912 /nfs/dbraw/zinc/24/89/12/385248912.db2.gz HUTOIIXRMMHYKV-LBPRGKRZSA-N 0 0 233.267 3.212 40 5 BGBBRN O=C1CCCCC[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000062616094 385246896 /nfs/dbraw/zinc/24/68/96/385246896.db2.gz HUTOIIXRMMHYKV-GFCCVEGCSA-N 0 0 233.267 3.212 40 5 BGBBRN Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000064220104 178060606 /nfs/dbraw/zinc/06/06/06/178060606.db2.gz HMWPBYDTIKHTEK-UHFFFAOYSA-N 0 0 206.028 3.210 40 5 BGBBRN CCCC[C@@H](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000067799516 343905619 /nfs/dbraw/zinc/90/56/19/343905619.db2.gz XNMQTGNDWSKDGU-SNVBAGLBSA-N 0 0 225.292 3.008 40 5 BGBBRN CCCC[C@H](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000067799517 370704768 /nfs/dbraw/zinc/70/47/68/370704768.db2.gz XNMQTGNDWSKDGU-JTQLQIEISA-N 0 0 225.292 3.008 40 5 BGBBRN CCCCCC[C@@H](C)n1ccc([N+](=O)[O-])n1 ZINC000067800374 388701357 /nfs/dbraw/zinc/70/13/57/388701357.db2.gz JXVXATOJMHBAAM-SNVBAGLBSA-N 0 0 225.292 3.323 40 5 BGBBRN CCCCCC[C@H](C)n1ccc([N+](=O)[O-])n1 ZINC000067800376 388701074 /nfs/dbraw/zinc/70/10/74/388701074.db2.gz JXVXATOJMHBAAM-JTQLQIEISA-N 0 0 225.292 3.323 40 5 BGBBRN O=[N+]([O-])c1cc(F)ccc1OC1CCCCC1 ZINC000067800512 388700741 /nfs/dbraw/zinc/70/07/41/388700741.db2.gz DTFNRAJZNWYCQS-UHFFFAOYSA-N 0 0 239.246 3.445 40 5 BGBBRN O=[N+]([O-])c1cc(F)ccc1OC1CCCC1 ZINC000067800513 388700672 /nfs/dbraw/zinc/70/06/72/388700672.db2.gz MITTZHZCUNBKQB-UHFFFAOYSA-N 0 0 225.219 3.055 40 5 BGBBRN CCC(CC)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000067800521 168395717 /nfs/dbraw/zinc/39/57/17/168395717.db2.gz VTFZQPSLPLOWDG-UHFFFAOYSA-N 0 0 227.235 3.301 40 5 BGBBRN CCC(CC)Oc1ccc([N+](=O)[O-])cc1 ZINC000067800527 168394920 /nfs/dbraw/zinc/39/49/20/168394920.db2.gz ZDBIVWYVBVQFLT-UHFFFAOYSA-N 0 0 209.245 3.162 40 5 BGBBRN O=[N+]([O-])c1ccc(OC2CCCC2)c(F)c1 ZINC000067800601 388700627 /nfs/dbraw/zinc/70/06/27/388700627.db2.gz LGEXQKXRIAOTBO-UHFFFAOYSA-N 0 0 225.219 3.055 40 5 BGBBRN O=[N+]([O-])c1cccc(F)c1OC1CCCCC1 ZINC000067800610 182946005 /nfs/dbraw/zinc/94/60/05/182946005.db2.gz NZHCBWYDHDNXSU-UHFFFAOYSA-N 0 0 239.246 3.445 40 5 BGBBRN CCC(CC)Oc1cccc(F)c1[N+](=O)[O-] ZINC000067800669 168394832 /nfs/dbraw/zinc/39/48/32/168394832.db2.gz SCGJAXYIUDKNRX-UHFFFAOYSA-N 0 0 227.235 3.301 40 5 BGBBRN CC(C)(C)COc1cccc(F)c1[N+](=O)[O-] ZINC000067800670 187274709 /nfs/dbraw/zinc/27/47/09/187274709.db2.gz MATFCRDOURIWIT-UHFFFAOYSA-N 0 0 227.235 3.159 40 5 BGBBRN O=[N+]([O-])c1cccc(F)c1OC1CCCC1 ZINC000067800679 182945207 /nfs/dbraw/zinc/94/52/07/182945207.db2.gz ITNISDUHPZFZSR-UHFFFAOYSA-N 0 0 225.219 3.055 40 5 BGBBRN CC(C)(C)COc1c(F)cccc1[N+](=O)[O-] ZINC000067800681 388700985 /nfs/dbraw/zinc/70/09/85/388700985.db2.gz YBIHLNHGCHEZNF-UHFFFAOYSA-N 0 0 227.235 3.159 40 5 BGBBRN CC(C)(C)COc1ccc([N+](=O)[O-])cc1F ZINC000067800727 384190275 /nfs/dbraw/zinc/19/02/75/384190275.db2.gz XPLRWPYIBVIVAE-UHFFFAOYSA-N 0 0 227.235 3.159 40 5 BGBBRN CCC(CC)Oc1ccccc1[N+](=O)[O-] ZINC000067800729 168395886 /nfs/dbraw/zinc/39/58/86/168395886.db2.gz AUTALUFKIARWSJ-UHFFFAOYSA-N 0 0 209.245 3.162 40 5 BGBBRN CC(=O)c1ccc(NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000067949501 388706708 /nfs/dbraw/zinc/70/67/08/388706708.db2.gz VBPULQNSAYQZNH-UHFFFAOYSA-N 0 0 236.271 3.008 40 5 BGBBRN CCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949512 388706391 /nfs/dbraw/zinc/70/63/91/388706391.db2.gz TXZDXIGBLYDYEC-UHFFFAOYSA-N 0 0 236.271 3.009 40 5 BGBBRN CC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000067949706 166465206 /nfs/dbraw/zinc/46/52/06/166465206.db2.gz IBISSNFWWOZJEL-UHFFFAOYSA-N 0 0 248.282 3.152 40 5 BGBBRN Cc1cc(C)n(-c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000070461246 177919381 /nfs/dbraw/zinc/91/93/81/177919381.db2.gz URQRZCXARRKJPB-UHFFFAOYSA-N 0 0 245.282 3.014 40 5 BGBBRN NC(=O)Cc1cc2ccccc2c2ccccc12 ZINC000070462091 181246015 /nfs/dbraw/zinc/24/60/15/181246015.db2.gz YSCORTBQUWQNRF-UHFFFAOYSA-N 0 0 235.286 3.021 40 5 BGBBRN CCOc1ccc2cccc([N+](=O)[O-])c2c1 ZINC000071255505 384746769 /nfs/dbraw/zinc/74/67/69/384746769.db2.gz HIUOEXSQVINKQF-UHFFFAOYSA-N 0 0 217.224 3.147 40 5 BGBBRN CC(C)(C)n1nccc1-c1ccc([N+](=O)[O-])cc1 ZINC000071256278 188130818 /nfs/dbraw/zinc/13/08/18/188130818.db2.gz CWSWRKZIOKUWSC-UHFFFAOYSA-N 0 0 245.282 3.213 40 5 BGBBRN CC(C)(C)n1ccc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071256280 188305515 /nfs/dbraw/zinc/30/55/15/188305515.db2.gz ZZJWRGJVRULGBO-UHFFFAOYSA-N 0 0 245.282 3.213 40 5 BGBBRN O=[N+]([O-])c1cc2ccccc2cc1Cl ZINC000071256654 384745743 /nfs/dbraw/zinc/74/57/43/384745743.db2.gz BUJHUYMLGZRWQZ-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1cc(Cl)c2ccccc2c1 ZINC000071256678 384746043 /nfs/dbraw/zinc/74/60/43/384746043.db2.gz LSACNADXSMNMJS-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1ccc2c(Cl)cccc2c1 ZINC000071256691 384745135 /nfs/dbraw/zinc/74/51/35/384745135.db2.gz ZROFLSNLBFQHLM-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1ccc2cc(Cl)ccc2c1 ZINC000071256693 182942287 /nfs/dbraw/zinc/94/22/87/182942287.db2.gz ZPFNCCOUGPMGHT-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1ccc2ccc(Cl)cc2c1 ZINC000071256694 182943169 /nfs/dbraw/zinc/94/31/69/182943169.db2.gz CECBPKQCQKJAAC-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN O=[N+]([O-])c1cc(Cl)cc2ccccc21 ZINC000071256696 384747589 /nfs/dbraw/zinc/74/75/89/384747589.db2.gz FDBCEJTXDLBXOX-UHFFFAOYSA-N 0 0 207.616 3.401 40 5 BGBBRN Clc1cc2ccc3ccccc3c2nn1 ZINC000071976787 180576360 /nfs/dbraw/zinc/57/63/60/180576360.db2.gz INQXDILRAIKVDU-UHFFFAOYSA-N 0 0 214.655 3.436 40 5 BGBBRN CCCC[C@@H](CC)Cn1ccc([N+](=O)[O-])n1 ZINC000071978419 344474190 /nfs/dbraw/zinc/47/41/90/344474190.db2.gz VNEMCWKPMYCDPV-SNVBAGLBSA-N 0 0 225.292 3.008 40 5 BGBBRN CCCC[C@H](CC)Cn1ccc([N+](=O)[O-])n1 ZINC000071978420 168999941 /nfs/dbraw/zinc/99/99/41/168999941.db2.gz VNEMCWKPMYCDPV-JTQLQIEISA-N 0 0 225.292 3.008 40 5 BGBBRN CCCCCC[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000071978652 384908267 /nfs/dbraw/zinc/90/82/67/384908267.db2.gz VUVAOCFXXMTLFY-SNVBAGLBSA-N 0 0 225.292 3.323 40 5 BGBBRN CCCCCC[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000071978653 398327436 /nfs/dbraw/zinc/32/74/36/398327436.db2.gz VUVAOCFXXMTLFY-JTQLQIEISA-N 0 0 225.292 3.323 40 5 BGBBRN Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=O)o1 ZINC000072228408 385128822 /nfs/dbraw/zinc/12/88/22/385128822.db2.gz AMMFEVXMEYSIIK-UHFFFAOYSA-N 0 0 247.206 3.101 40 5 BGBBRN Cc1cc(Oc2ccc(C=O)o2)ccc1[N+](=O)[O-] ZINC000072228410 385127966 /nfs/dbraw/zinc/12/79/66/385127966.db2.gz VQYZYOWXAHXKIG-UHFFFAOYSA-N 0 0 247.206 3.101 40 5 BGBBRN CC(C)(C)COc1ccccc1[N+](=O)[O-] ZINC000072482118 187276261 /nfs/dbraw/zinc/27/62/61/187276261.db2.gz NHGTVPMHHZFTLV-UHFFFAOYSA-N 0 0 209.245 3.020 40 5 BGBBRN O=c1cccc2[nH]c3c(Cl)cccc3nc1-2 ZINC000076494929 183298170 /nfs/dbraw/zinc/29/81/70/183298170.db2.gz OSXZWEGELZCGAI-UHFFFAOYSA-N 0 0 230.654 3.142 40 5 BGBBRN CCOc1cccc2nc3cccc(C)c3nc21 ZINC000076495101 188309251 /nfs/dbraw/zinc/30/92/51/188309251.db2.gz VLKZIBAAQCVHAX-UHFFFAOYSA-N 0 0 238.290 3.490 40 5 BGBBRN COc1cccc2nc3cccc(Cl)c3nc21 ZINC000076495128 175307855 /nfs/dbraw/zinc/30/78/55/175307855.db2.gz AZJDDAPKWRVAFO-UHFFFAOYSA-N 0 0 244.681 3.445 40 5 BGBBRN O=c1cccc2[nH]c3ccc(Cl)cc3nc1-2 ZINC000076495132 183298327 /nfs/dbraw/zinc/29/83/27/183298327.db2.gz WABDLXTYWDAQTO-UHFFFAOYSA-N 0 0 230.654 3.142 40 5 BGBBRN CCCc1cccc2nc3cccc(O)c3nc12 ZINC000076495135 398242090 /nfs/dbraw/zinc/24/20/90/398242090.db2.gz IXEALPIVOCSVPB-UHFFFAOYSA-N 0 0 238.290 3.441 40 5 BGBBRN CC(C)(C)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000079387410 388694880 /nfs/dbraw/zinc/69/48/80/388694880.db2.gz NMPRUOCXHYMXLG-UHFFFAOYSA-N 0 0 228.679 3.128 40 5 BGBBRN Cc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000079387502 178269825 /nfs/dbraw/zinc/26/98/25/178269825.db2.gz JHEPYEXKEPQPAZ-UHFFFAOYSA-N 0 0 223.125 3.061 40 5 BGBBRN CC(C)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000080450242 188312401 /nfs/dbraw/zinc/31/24/01/188312401.db2.gz OGFXLLXRXBRDEN-UHFFFAOYSA-N 0 0 244.088 3.481 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000080479924 171775703 /nfs/dbraw/zinc/77/57/03/171775703.db2.gz GMIRREVKDHJFQR-UHFFFAOYSA-N 0 0 222.288 3.003 40 5 BGBBRN O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)cc21 ZINC000082046520 388723449 /nfs/dbraw/zinc/72/34/49/388723449.db2.gz CRGDGLITXHGILQ-UHFFFAOYSA-N 0 0 230.145 3.095 40 5 BGBBRN CC(C)(C)c1cc(Cl)c([N+](=O)[O-])cc1O ZINC000082048733 388723487 /nfs/dbraw/zinc/72/34/87/388723487.db2.gz JVJXUPCXKPFSRW-UHFFFAOYSA-N 0 0 229.663 3.251 40 5 BGBBRN O=[N+]([O-])c1cc(O)ccc1Nc1ccccc1 ZINC000085210055 182924726 /nfs/dbraw/zinc/92/47/26/182924726.db2.gz QADVBTSLVBVJGR-UHFFFAOYSA-N 0 0 230.223 3.044 40 5 BGBBRN O=[N+]([O-])c1cc2[nH]ccc2cc1C(F)(F)F ZINC000085221326 191008490 /nfs/dbraw/zinc/00/84/90/191008490.db2.gz OCDTXCCAODLGHT-UHFFFAOYSA-N 0 0 230.145 3.095 40 5 BGBBRN O=[N+]([O-])c1cccc2c(Cl)nc(Cl)cc21 ZINC000085386145 385152671 /nfs/dbraw/zinc/15/26/71/385152671.db2.gz RCRDYTXSRVCIHW-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN Cc1ccc2ccc(Cl)c([N+](=O)[O-])c2n1 ZINC000085391194 385150923 /nfs/dbraw/zinc/15/09/23/385150923.db2.gz JUDPZNLUOSHIRU-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN Cc1cc(-c2ccccc2N)ccc1[N+](=O)[O-] ZINC000090600800 388423926 /nfs/dbraw/zinc/42/39/26/388423926.db2.gz KYFIROOYVYYUAL-UHFFFAOYSA-N 0 0 228.251 3.152 40 5 BGBBRN NNc1cccc2cc3ccccc3cc21 ZINC000090613201 398106567 /nfs/dbraw/zinc/10/65/67/398106567.db2.gz DTSQOQPBSLQNAV-UHFFFAOYSA-N 0 0 208.264 3.279 40 5 BGBBRN Cc1c2ccccc2c(CNN)c2ccccc12 ZINC000090613270 525974646 /nfs/dbraw/zinc/97/46/46/525974646.db2.gz IZONICWYCLAFRT-UHFFFAOYSA-N 0 0 236.318 3.265 40 5 BGBBRN CC(C)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000094568757 387305338 /nfs/dbraw/zinc/30/53/38/387305338.db2.gz PZJWPHFXCLKQAH-UHFFFAOYSA-N 0 0 244.088 3.481 40 5 BGBBRN Cc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000095221094 385700693 /nfs/dbraw/zinc/70/06/93/385700693.db2.gz AEVHCQGUOFFWAC-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1 ZINC000095221106 388760997 /nfs/dbraw/zinc/76/09/97/388760997.db2.gz FQWCHXWBGPCGOD-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2C(F)(F)F)c1 ZINC000095628899 187325470 /nfs/dbraw/zinc/32/54/70/187325470.db2.gz DHBWUJBSDNVHTQ-IUCAKERBSA-N 0 0 231.173 3.261 40 5 BGBBRN O=[N+]([O-])c1cccc([C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000095628900 388781529 /nfs/dbraw/zinc/78/15/29/388781529.db2.gz DHBWUJBSDNVHTQ-DTWKUNHWSA-N 0 0 231.173 3.261 40 5 BGBBRN Cc1ccc([N+](=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000095635224 384385342 /nfs/dbraw/zinc/38/53/42/384385342.db2.gz QKHIFDDYVCCJOL-UHFFFAOYSA-N 0 0 241.246 3.134 40 5 BGBBRN O=c1c2ccccc2oc2cc(F)ccc21 ZINC000095891411 384405165 /nfs/dbraw/zinc/40/51/65/384405165.db2.gz MSFHIUILMUEXBD-UHFFFAOYSA-N 0 0 214.195 3.085 40 5 BGBBRN NNc1cc2ccccc2c2ccccc12 ZINC000096125931 385908348 /nfs/dbraw/zinc/90/83/48/385908348.db2.gz SEGLYKRUFIRSMS-UHFFFAOYSA-N 0 0 208.264 3.279 40 5 BGBBRN O=[N+]([O-])c1ccc(Br)cc1Cl ZINC000096191028 182929448 /nfs/dbraw/zinc/92/94/48/182929448.db2.gz QWRNVDWDFCINEY-UHFFFAOYSA-N 0 0 236.452 3.011 40 5 BGBBRN O=[N+]([O-])c1cccc([C@H]2C[C@@H]2C(F)(F)F)c1 ZINC000096308270 388814792 /nfs/dbraw/zinc/81/47/92/388814792.db2.gz DHBWUJBSDNVHTQ-BDAKNGLRSA-N 0 0 231.173 3.261 40 5 BGBBRN O=[N+]([O-])c1cnc2cc(Cl)ccc2c1Cl ZINC000096328248 388816400 /nfs/dbraw/zinc/81/64/00/388816400.db2.gz YVAUZCISBSMGIW-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN O=[N+]([O-])c1ccccc1OCc1ccccc1F ZINC000097526696 384227786 /nfs/dbraw/zinc/22/77/86/384227786.db2.gz MFHHYGZMFVBMQK-UHFFFAOYSA-N 0 0 247.225 3.313 40 5 BGBBRN O=[N+]([O-])c1ccccc1OCc1ccc(F)cc1 ZINC000097526697 182952472 /nfs/dbraw/zinc/95/24/72/182952472.db2.gz IRALQNOXWKHNNJ-UHFFFAOYSA-N 0 0 247.225 3.313 40 5 BGBBRN O=[N+]([O-])c1c(C(F)(F)F)ccc2cccnc21 ZINC000098181688 188191082 /nfs/dbraw/zinc/19/10/82/188191082.db2.gz YAOXZMKMCOASNE-UHFFFAOYSA-N 0 0 242.156 3.162 40 5 BGBBRN Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1 ZINC000100090070 178197090 /nfs/dbraw/zinc/19/70/90/178197090.db2.gz JBGKVNQFVAJOGC-UHFFFAOYSA-N 0 0 240.258 3.418 40 5 biogenic,in-vitro BGBBRN CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1 ZINC000104143557 168137391 /nfs/dbraw/zinc/13/73/91/168137391.db2.gz XGWOKQYGEIQKMO-UHFFFAOYSA-N 0 0 217.228 3.183 40 5 BGBBRN O=[N+]([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1ccccc1Cl ZINC000104282196 182920685 /nfs/dbraw/zinc/92/06/85/182920685.db2.gz GNXJLTPKYBBZTK-DTVLGXAZSA-N 0 0 249.697 3.275 40 5 BGBBRN Cc1noc(/C=C\c2ccccc2F)c1[N+](=O)[O-] ZINC000109016074 368339619 /nfs/dbraw/zinc/33/96/19/368339619.db2.gz DNFBGRQHUFIPDA-SREVYHEPSA-N 0 0 248.213 3.201 40 5 BGBBRN Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111506788 178325894 /nfs/dbraw/zinc/32/58/94/178325894.db2.gz ISBHZHQARAFLGY-UHFFFAOYSA-N 0 0 203.197 3.163 40 5 BGBBRN Cc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000113466024 370414526 /nfs/dbraw/zinc/41/45/26/370414526.db2.gz ZIZYIDMRRKTXEE-UHFFFAOYSA-N 0 0 206.028 3.210 40 5 BGBBRN CCc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000118421388 345546662 /nfs/dbraw/zinc/54/66/62/345546662.db2.gz KWFWJUMXKUINAY-UHFFFAOYSA-N 0 0 236.658 3.359 40 5 BGBBRN O=[N+]([O-])c1c(Cl)nc2c(c1Cl)CCCC2 ZINC000141063157 527318328 /nfs/dbraw/zinc/31/83/28/527318328.db2.gz IHPCVVSDFZVBPF-UHFFFAOYSA-N 0 0 247.081 3.175 40 5 BGBBRN O=[N+]([O-])c1cccc(C(F)(F)C(F)(F)F)c1 ZINC000141933973 388257801 /nfs/dbraw/zinc/25/78/01/388257801.db2.gz PTNKXRHFXJJVLK-UHFFFAOYSA-N 0 0 241.115 3.249 40 5 BGBBRN CSc1ccc([N+](=O)[O-])cc1Br ZINC000142102640 259345066 /nfs/dbraw/zinc/34/50/66/259345066.db2.gz PEIKFCQVYMNYBA-UHFFFAOYSA-N 0 0 248.101 3.079 40 5 BGBBRN Cc1cc([N+](=O)[O-])c(Cl)nc1C(C)C ZINC000146445760 259359086 /nfs/dbraw/zinc/35/90/86/259359086.db2.gz ODHYOJGMEZYYQE-UHFFFAOYSA-N 0 0 214.652 3.075 40 5 BGBBRN O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000148979776 360615926 /nfs/dbraw/zinc/61/59/26/360615926.db2.gz BNNVFSBJALUBAL-UHFFFAOYSA-N 0 0 246.247 3.465 40 5 BGBBRN CC(C)n1ccc2cc([N+](=O)[O-])ccc21 ZINC000149884417 259324816 /nfs/dbraw/zinc/32/48/16/259324816.db2.gz SZFIPUYXMKNLCR-UHFFFAOYSA-N 0 0 204.229 3.130 40 5 BGBBRN CC(C)(C)c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000165175099 386903962 /nfs/dbraw/zinc/90/39/62/386903962.db2.gz RPICUSMTUODABD-UHFFFAOYSA-N 0 0 220.228 3.034 40 5 BGBBRN Cc1cccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165857887 384685571 /nfs/dbraw/zinc/68/55/71/384685571.db2.gz HSIHPRHIBLGDGE-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN Cc1cc(C)c2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000165861447 343076187 /nfs/dbraw/zinc/07/61/87/343076187.db2.gz ZWMUJOJYSUECHE-UHFFFAOYSA-N 0 0 236.658 3.413 40 5 BGBBRN CCc1cccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165863449 343076074 /nfs/dbraw/zinc/07/60/74/343076074.db2.gz PHLAJUSFLJZWFI-UHFFFAOYSA-N 0 0 236.658 3.359 40 5 BGBBRN Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1C ZINC000165873535 343076032 /nfs/dbraw/zinc/07/60/32/343076032.db2.gz LHLNNPZAPGQFNH-UHFFFAOYSA-N 0 0 236.658 3.413 40 5 BGBBRN O=[N+]([O-])c1ccccc1C(F)(F)C(F)(F)F ZINC000169801350 387868357 /nfs/dbraw/zinc/86/83/57/387868357.db2.gz OIICZKWDOWBHOS-UHFFFAOYSA-N 0 0 241.115 3.249 40 5 BGBBRN Cc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000205221595 387062941 /nfs/dbraw/zinc/06/29/41/387062941.db2.gz QPHYRIWTOGRGTG-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN CCCCOc1ccc([N+](=O)[O-])c2cccnc12 ZINC000212141243 387016682 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Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000216767232 132250733 /nfs/dbraw/zinc/25/07/33/132250733.db2.gz OIRYPGJAQWXTFS-QWRGUYRKSA-N 0 0 248.326 3.386 40 5 BGBBRN C[C@@H]1CCCc2cc([N+](=O)[O-])c(Cl)nc21 ZINC000217546076 176152799 /nfs/dbraw/zinc/15/27/99/176152799.db2.gz BCMZCCDOYRUQST-ZCFIWIBFSA-N 0 0 226.663 3.083 40 5 BGBBRN C[C@H]1CCCc2cc([N+](=O)[O-])c(Cl)nc21 ZINC000217546159 177144127 /nfs/dbraw/zinc/14/41/27/177144127.db2.gz BCMZCCDOYRUQST-LURJTMIESA-N 0 0 226.663 3.083 40 5 BGBBRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC000225394233 388678653 /nfs/dbraw/zinc/67/86/53/388678653.db2.gz WHHNTQDQDPKMNP-SECBINFHSA-N 0 0 246.266 3.320 40 5 BGBBRN CC[C@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC000225394271 171356260 /nfs/dbraw/zinc/35/62/60/171356260.db2.gz WHHNTQDQDPKMNP-VIFPVBQESA-N 0 0 246.266 3.320 40 5 BGBBRN CC(C)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000225394332 188181974 /nfs/dbraw/zinc/18/19/74/188181974.db2.gz IPJNEVTVOHLUJI-UHFFFAOYSA-N 0 0 246.266 3.178 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1 ZINC000226314809 384971725 /nfs/dbraw/zinc/97/17/25/384971725.db2.gz ORSCCNCIZJLFRA-UHFFFAOYSA-N 0 0 245.234 3.230 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000226315175 132440048 /nfs/dbraw/zinc/44/00/48/132440048.db2.gz WZMOJZONFJPPGY-UHFFFAOYSA-N 0 0 234.299 3.148 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000226315200 132439770 /nfs/dbraw/zinc/43/97/70/132439770.db2.gz BOUPIXAQQFCKKY-UHFFFAOYSA-N 0 0 248.326 3.394 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000226315566 132439748 /nfs/dbraw/zinc/43/97/48/132439748.db2.gz NWZMCVGTRJDULN-LLVKDONJSA-N 0 0 248.326 3.394 40 5 BGBBRN CCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000226315575 388349561 /nfs/dbraw/zinc/34/95/61/388349561.db2.gz NWZMCVGTRJDULN-NSHDSACASA-N 0 0 248.326 3.394 40 5 BGBBRN COc1ccc([N+](=O)[O-])c2scc(Cl)c21 ZINC000228967115 525453703 /nfs/dbraw/zinc/45/37/03/525453703.db2.gz XPRDANYMPVNLNK-UHFFFAOYSA-N 0 0 243.671 3.472 40 5 BGBBRN Cc1cccc(COc2ccccc2[N+](=O)[O-])c1 ZINC000255930475 322943725 /nfs/dbraw/zinc/94/37/25/322943725.db2.gz AAXAVUWBYIKAGI-UHFFFAOYSA-N 0 0 243.262 3.482 40 5 BGBBRN Cc1ccccc1COc1ccccc1[N+](=O)[O-] ZINC000255930940 388692871 /nfs/dbraw/zinc/69/28/71/388692871.db2.gz ORLZQBWNSCZNLE-UHFFFAOYSA-N 0 0 243.262 3.482 40 5 BGBBRN Cc1c2ccc(Cl)cc2ncc1[N+](=O)[O-] ZINC000256051323 370636166 /nfs/dbraw/zinc/63/61/66/370636166.db2.gz IRIWGEJZELFMTK-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN CCCn1c(Cl)nc2cc([N+](=O)[O-])ccc21 ZINC000256051581 344145004 /nfs/dbraw/zinc/14/50/04/344145004.db2.gz JTAUQVHXNDRUJW-UHFFFAOYSA-N 0 0 239.662 3.008 40 5 BGBBRN CC(C)n1c(Cl)nc2cc([N+](=O)[O-])ccc21 ZINC000256052718 370636719 /nfs/dbraw/zinc/63/67/19/370636719.db2.gz OJRPVCBSKBFCRH-UHFFFAOYSA-N 0 0 239.662 3.179 40 5 BGBBRN Cc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000256052871 370636658 /nfs/dbraw/zinc/63/66/58/370636658.db2.gz OZTFMGCLUKBNBE-UHFFFAOYSA-N 0 0 222.631 3.105 40 5 BGBBRN CC1(C)C=Cc2c1c(F)ccc2[N+](=O)[O-] ZINC000261507461 398208879 /nfs/dbraw/zinc/20/88/79/398208879.db2.gz IVZDLYGCHGWCLM-UHFFFAOYSA-N 0 0 207.204 3.038 40 5 BGBBRN Cc1nc(Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000261508988 180028955 /nfs/dbraw/zinc/02/89/55/180028955.db2.gz YVBSKZKMHJBACA-UHFFFAOYSA-N 0 0 230.223 3.091 40 5 BGBBRN Cc1c(C(F)(F)F)ccc(F)c1[N+](=O)[O-] ZINC000396125465 344609864 /nfs/dbraw/zinc/60/98/64/344609864.db2.gz IOLOADBJLBCMMF-UHFFFAOYSA-N 0 0 223.125 3.061 40 5 BGBBRN CCN(c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000408547191 535419678 /nfs/dbraw/zinc/41/96/78/535419678.db2.gz UKNMMHOUMMKUJL-UHFFFAOYSA-N 0 0 243.266 3.148 40 5 BGBBRN O=[N+]([O-])c1cccc2c(C(F)F)c[nH]c21 ZINC000575628815 387822016 /nfs/dbraw/zinc/82/20/16/387822016.db2.gz AIYMMBLYTYASPR-UHFFFAOYSA-N 0 0 212.155 3.014 40 5 BGBBRN COc1ccc2[nH]cc(C(F)F)c2c1[N+](=O)[O-] ZINC000575628825 387825719 /nfs/dbraw/zinc/82/57/19/387825719.db2.gz BDIBRCQSJMIBBR-UHFFFAOYSA-N 0 0 242.181 3.022 40 5 BGBBRN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(F)F ZINC000575629132 387822469 /nfs/dbraw/zinc/82/24/69/387822469.db2.gz KBSBNMJXJDEFPM-UHFFFAOYSA-N 0 0 226.182 3.322 40 5 BGBBRN O=[N+]([O-])c1ccc2[nH]cc(C(F)F)c2c1 ZINC000575629149 387827477 /nfs/dbraw/zinc/82/74/77/387827477.db2.gz KQIPAQPOHXDAOL-UHFFFAOYSA-N 0 0 212.155 3.014 40 5 BGBBRN O=[N+]([O-])c1cccc2cnc(C(F)F)cc21 ZINC000575629160 387827294 /nfs/dbraw/zinc/82/72/94/387827294.db2.gz KXKRQCAYFJPDEU-UHFFFAOYSA-N 0 0 224.166 3.081 40 5 BGBBRN O=[N+]([O-])c1ccc(F)cc1SC(F)(F)F ZINC000604221513 371961962 /nfs/dbraw/zinc/96/19/62/371961962.db2.gz GAEJBTOJWKVVQX-UHFFFAOYSA-N 0 0 241.165 3.346 40 5 BGBBRN O=[N+]([O-])c1c(F)cccc1SC(F)F ZINC000604221515 371962063 /nfs/dbraw/zinc/96/20/63/371962063.db2.gz GUAXKOJVMLETSL-UHFFFAOYSA-N 0 0 223.175 3.049 40 5 BGBBRN O=[N+]([O-])c1cc(F)ccc1SC(F)F ZINC000604221519 371962303 /nfs/dbraw/zinc/96/23/03/371962303.db2.gz HFQSTMNVYXQPJR-UHFFFAOYSA-N 0 0 223.175 3.049 40 5 BGBBRN O=[N+]([O-])c1c(F)cccc1SC(F)(F)F ZINC000604221540 371961937 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VNTUNWJAGKGILR-UHFFFAOYSA-N 0 0 223.175 3.049 40 5 BGBBRN O=[N+]([O-])c1cccc(SC(F)(F)F)c1F ZINC000604221693 371961944 /nfs/dbraw/zinc/96/19/44/371961944.db2.gz WDFSXXVMYROWGL-UHFFFAOYSA-N 0 0 241.165 3.346 40 5 BGBBRN O=[N+]([O-])c1ccc(SC(F)F)cc1F ZINC000604221710 371962203 /nfs/dbraw/zinc/96/22/03/371962203.db2.gz YTGRSLDUOBIVDH-UHFFFAOYSA-N 0 0 223.175 3.049 40 5 BGBBRN CC(C)(C)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000685937237 538759260 /nfs/dbraw/zinc/75/92/60/538759260.db2.gz CXSUFOLBMHDUDN-UHFFFAOYSA-N 0 0 246.266 3.146 40 5 BGBBRN O=[N+]([O-])c1cc(Cl)c2nc(Cl)ccc2c1 ZINC000685937883 538761042 /nfs/dbraw/zinc/76/10/42/538761042.db2.gz YRQKASDBTSQQAS-UHFFFAOYSA-N 0 0 243.049 3.450 40 5 BGBBRN