smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(/C=C/c3ccccc3[N+](=O)[O-])ccc2c1 ZINC000007586279 170291620 /nfs/dbraw/zinc/29/16/20/170291620.db2.gz XFPAHIBDRIBARO-VQHVLOKHSA-N 0 0 290.322 4.622 20 5 CJBDRN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000007844514 170304928 /nfs/dbraw/zinc/30/49/28/170304928.db2.gz KTLFYRXBPGSSKX-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN Cc1ccc(-c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000007889382 170306416 /nfs/dbraw/zinc/30/64/16/170306416.db2.gz YXHCWTFVRBPBAV-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN CC(=O)c1ccc(Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000007980716 170311317 /nfs/dbraw/zinc/31/13/17/170311317.db2.gz VCDRMXIOEYMRHE-UHFFFAOYSA-N 0 0 299.326 4.713 20 5 CJBDRN O=[N+]([O-])c1ccccc1Oc1ccc2ccccc2c1 ZINC000008147615 170321466 /nfs/dbraw/zinc/32/14/66/170321466.db2.gz FSHUQSQHLICCRQ-UHFFFAOYSA-N 0 0 265.268 4.540 20 5 CJBDRN Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000008297471 170329474 /nfs/dbraw/zinc/32/94/74/170329474.db2.gz MRUSBOLLOSHIIY-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN Cc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000008297472 170329715 /nfs/dbraw/zinc/32/97/15/170329715.db2.gz JTIAAQHWKLGHNG-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN Cc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)s1 ZINC000008321803 170331069 /nfs/dbraw/zinc/33/10/69/170331069.db2.gz CUEYFIBCFLBBNE-RMKNXTFCSA-N 0 0 296.351 4.683 20 5 CJBDRN O=[N+]([O-])c1cccc(CNc2cc(Cl)cc(Cl)c2)c1 ZINC000019985992 170961049 /nfs/dbraw/zinc/96/10/49/170961049.db2.gz UHQLSUCCCLLLIN-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000019998402 170964897 /nfs/dbraw/zinc/96/48/97/170964897.db2.gz VAPDYPFXELHZAH-NSHDSACASA-N 0 0 290.750 4.730 20 5 CJBDRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000020358646 171157351 /nfs/dbraw/zinc/15/73/51/171157351.db2.gz OJOREQFBXRIBBD-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@H](Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000020358647 171157345 /nfs/dbraw/zinc/15/73/45/171157345.db2.gz OJOREQFBXRIBBD-VIFPVBQESA-N 0 0 294.713 4.560 20 5 CJBDRN Cc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000020525932 262244988 /nfs/dbraw/zinc/24/49/88/262244988.db2.gz OTPPMGMWHIACQD-LLVKDONJSA-N 0 0 290.750 4.730 20 5 CJBDRN Cc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000020525933 262244991 /nfs/dbraw/zinc/24/49/91/262244991.db2.gz OTPPMGMWHIACQD-NSHDSACASA-N 0 0 290.750 4.730 20 5 CJBDRN Cc1c(Cl)cccc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525962 262245028 /nfs/dbraw/zinc/24/50/28/262245028.db2.gz MIJWZJYADQGQPB-LLVKDONJSA-N 0 0 290.750 4.730 20 5 CJBDRN Cc1c(Cl)cccc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525963 262245048 /nfs/dbraw/zinc/24/50/48/262245048.db2.gz MIJWZJYADQGQPB-NSHDSACASA-N 0 0 290.750 4.730 20 5 CJBDRN CC(C)c1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000020526001 262245249 /nfs/dbraw/zinc/24/52/49/262245249.db2.gz URGLEVJJWPSTKQ-ZDUSSCGKSA-N 0 0 284.359 4.891 20 5 CJBDRN CC(C)c1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000020526002 262245000 /nfs/dbraw/zinc/24/50/00/262245000.db2.gz URGLEVJJWPSTKQ-CYBMUJFWSA-N 0 0 284.359 4.891 20 5 CJBDRN CC(C)(C)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000020545443 262249120 /nfs/dbraw/zinc/24/91/20/262249120.db2.gz NUPZQBOIDPHACK-UHFFFAOYSA-N 0 0 284.359 4.504 20 5 CJBDRN O=[N+]([O-])c1ccccc1CNc1cc(Cl)ccc1Cl ZINC000020562567 171252232 /nfs/dbraw/zinc/25/22/32/171252232.db2.gz NALKBDXIIODGED-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000021012092 171287516 /nfs/dbraw/zinc/28/75/16/171287516.db2.gz UUMPQTYWHXSCCF-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000021510130 171309633 /nfs/dbraw/zinc/30/96/33/171309633.db2.gz NPNYMPBEKNETCE-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000021510147 171309835 /nfs/dbraw/zinc/30/98/35/171309835.db2.gz HNMGDWDXVKXBLK-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1cccc(CNc2cccc(Cl)c2Cl)c1 ZINC000021517330 171313599 /nfs/dbraw/zinc/31/35/99/171313599.db2.gz PVOGMCOQXRRZGZ-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN CC(C)(C)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000021813312 171330591 /nfs/dbraw/zinc/33/05/91/171330591.db2.gz RCZCOXVVANJUQJ-UHFFFAOYSA-N 0 0 284.359 4.504 20 5 CJBDRN O=[N+]([O-])c1ccccc1CNc1cccc(Cl)c1Cl ZINC000021818828 171333549 /nfs/dbraw/zinc/33/35/49/171333549.db2.gz ZPKSDBKYOGOCGR-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000021819929 171334311 /nfs/dbraw/zinc/33/43/11/171334311.db2.gz UCKUNUSWEMCIQY-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN CCC[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000034990199 171916880 /nfs/dbraw/zinc/91/68/80/171916880.db2.gz WOXNGOAFHAOQES-CQSZACIVSA-N 0 0 270.332 4.548 20 5 CJBDRN O=[N+]([O-])c1cc(NCc2cccc(Cl)c2)ccc1Cl ZINC000035047084 171950928 /nfs/dbraw/zinc/95/09/28/171950928.db2.gz MTDBUDSAEAETSQ-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1cc(NCc2ccccc2Cl)ccc1Cl ZINC000035047085 171951208 /nfs/dbraw/zinc/95/12/08/171951208.db2.gz PSFWJDMHBZYGLG-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000035223871 172067991 /nfs/dbraw/zinc/06/79/91/172067991.db2.gz IBAQEWFWUZDRHU-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN Cc1cc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])c(C)s1 ZINC000035252127 330244273 /nfs/dbraw/zinc/24/42/73/330244273.db2.gz JFZMYEKHUYRAKS-SECBINFHSA-N 0 0 294.351 4.585 20 5 CJBDRN Cc1cc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])c(C)s1 ZINC000035252130 330244306 /nfs/dbraw/zinc/24/43/06/330244306.db2.gz JFZMYEKHUYRAKS-VIFPVBQESA-N 0 0 294.351 4.585 20 5 CJBDRN Cc1c(CNc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000035648674 330248245 /nfs/dbraw/zinc/24/82/45/330248245.db2.gz CDYAKFLJGGOJSA-UHFFFAOYSA-N 0 0 284.359 4.639 20 5 CJBDRN Cc1c(CNc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000035648696 330248205 /nfs/dbraw/zinc/24/82/05/330248205.db2.gz FXGLBYQYBAWNGV-UHFFFAOYSA-N 0 0 284.359 4.639 20 5 CJBDRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000036971210 333445642 /nfs/dbraw/zinc/44/56/42/333445642.db2.gz OCDFDKASYOXPME-SECBINFHSA-N 0 0 294.738 4.631 20 5 CJBDRN Cc1cc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000036971659 333445541 /nfs/dbraw/zinc/44/55/41/333445541.db2.gz UPGPRWWCRMNFMZ-SECBINFHSA-N 0 0 294.738 4.631 20 5 CJBDRN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000037061483 333468870 /nfs/dbraw/zinc/46/88/70/333468870.db2.gz BLFHWXXNAMNYLH-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000037177186 333507750 /nfs/dbraw/zinc/50/77/50/333507750.db2.gz IGGXAPGGWWDORD-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN CC(C)(C)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000037562425 333534926 /nfs/dbraw/zinc/53/49/26/333534926.db2.gz FFGLWDREXURVHE-UHFFFAOYSA-N 0 0 290.388 4.566 20 5 CJBDRN CC(C)(C)c1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000037562802 333534945 /nfs/dbraw/zinc/53/49/45/333534945.db2.gz LJYWGEHNUNZVRK-UHFFFAOYSA-N 0 0 290.388 4.566 20 5 CJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000047873267 327216267 /nfs/dbraw/zinc/21/62/67/327216267.db2.gz BCIWXWZKWYHUEX-VIFPVBQESA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000047873268 327216386 /nfs/dbraw/zinc/21/63/86/327216386.db2.gz BCIWXWZKWYHUEX-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000047873269 327216328 /nfs/dbraw/zinc/21/63/28/327216328.db2.gz LHIRIPVJQCEMNP-VIFPVBQESA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000047873270 327216359 /nfs/dbraw/zinc/21/63/59/327216359.db2.gz LHIRIPVJQCEMNP-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000047873291 327216377 /nfs/dbraw/zinc/21/63/77/327216377.db2.gz PPWCGYZMXYXXRX-INIZCTEOSA-N 0 0 288.322 4.543 20 5 CJBDRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000047873292 327216373 /nfs/dbraw/zinc/21/63/73/327216373.db2.gz PPWCGYZMXYXXRX-MRXNPFEDSA-N 0 0 288.322 4.543 20 5 CJBDRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)c(C)s1 ZINC000047873324 327216254 /nfs/dbraw/zinc/21/62/54/327216254.db2.gz QRSDYFCKZRJEBK-SECBINFHSA-N 0 0 294.351 4.585 20 5 CJBDRN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)c(C)s1 ZINC000047873325 327216295 /nfs/dbraw/zinc/21/62/95/327216295.db2.gz QRSDYFCKZRJEBK-VIFPVBQESA-N 0 0 294.351 4.585 20 5 CJBDRN Cc1cc(N[C@@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000048331298 328052286 /nfs/dbraw/zinc/05/22/86/328052286.db2.gz VHNUTNVEQKCTAL-NSHDSACASA-N 0 0 290.750 4.730 20 5 CJBDRN Cc1cc(N[C@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000048331299 328052161 /nfs/dbraw/zinc/05/21/61/328052161.db2.gz VHNUTNVEQKCTAL-LLVKDONJSA-N 0 0 290.750 4.730 20 5 CJBDRN Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c(C)s1 ZINC000048335258 328053344 /nfs/dbraw/zinc/05/33/44/328053344.db2.gz RYSPDKVHHBRUQO-NSHDSACASA-N 0 0 290.388 4.755 20 5 CJBDRN Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c(C)s1 ZINC000048335259 328053373 /nfs/dbraw/zinc/05/33/73/328053373.db2.gz RYSPDKVHHBRUQO-LLVKDONJSA-N 0 0 290.388 4.755 20 5 CJBDRN Cc1cc(NCc2csc3ccccc23)ccc1[N+](=O)[O-] ZINC000048337147 328053402 /nfs/dbraw/zinc/05/34/02/328053402.db2.gz PISQHSLEONTLDW-UHFFFAOYSA-N 0 0 298.367 4.730 20 5 CJBDRN Cc1cc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])c(C)s1 ZINC000048805635 260657236 /nfs/dbraw/zinc/65/72/36/260657236.db2.gz JBRMVNDIVFGYQX-SECBINFHSA-N 0 0 294.351 4.585 20 5 CJBDRN Cc1c(COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000070285349 333806036 /nfs/dbraw/zinc/80/60/36/333806036.db2.gz KFBOOEHECUUCJU-UHFFFAOYSA-N 0 0 285.343 4.606 20 5 CJBDRN Cc1ccc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000071805465 176267208 /nfs/dbraw/zinc/26/72/08/176267208.db2.gz ZPVNBHZIAZZHCN-LBPRGKRZSA-N 0 0 273.357 4.757 20 5 CJBDRN C[C@H](Sc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000071805548 176267203 /nfs/dbraw/zinc/26/72/03/176267203.db2.gz JRQMCWOXRFUKQL-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000071805549 333879445 /nfs/dbraw/zinc/87/94/45/333879445.db2.gz JRQMCWOXRFUKQL-SNVBAGLBSA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000071805775 333879484 /nfs/dbraw/zinc/87/94/84/333879484.db2.gz GQLSMZWKCVWUAB-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000071806653 333879443 /nfs/dbraw/zinc/87/94/43/333879443.db2.gz AXLIWJLEYDJDDK-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000071806654 333879456 /nfs/dbraw/zinc/87/94/56/333879456.db2.gz AXLIWJLEYDJDDK-SNVBAGLBSA-N 0 0 277.320 4.587 20 5 CJBDRN Cc1ccccc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000072013957 333895415 /nfs/dbraw/zinc/89/54/15/333895415.db2.gz KNFAQIFLBPKAJJ-LBPRGKRZSA-N 0 0 273.357 4.757 20 5 CJBDRN O=[N+]([O-])c1cccc(CSc2cccc(Cl)c2)c1 ZINC000072076706 333902815 /nfs/dbraw/zinc/90/28/15/333902815.db2.gz PRHSSGSRLCPMJS-UHFFFAOYSA-N 0 0 279.748 4.541 20 5 CJBDRN O=[N+]([O-])c1ccc(CSc2cccc(Cl)c2)cc1 ZINC000072076723 333902860 /nfs/dbraw/zinc/90/28/60/333902860.db2.gz HFCDRSPHDDKJAR-UHFFFAOYSA-N 0 0 279.748 4.541 20 5 CJBDRN Cc1ccc(SCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000072099332 176315523 /nfs/dbraw/zinc/31/55/23/176315523.db2.gz HUKAVUHCFOVEKQ-UHFFFAOYSA-N 0 0 273.357 4.504 20 5 CJBDRN Cc1c(CNc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000097335881 185587376 /nfs/dbraw/zinc/58/73/76/185587376.db2.gz FEZCGIMVNIOENB-UHFFFAOYSA-N 0 0 292.338 4.669 20 5 CJBDRN O=[N+]([O-])c1cccc(Cl)c1CNc1cccc(Cl)c1 ZINC000104321514 185968261 /nfs/dbraw/zinc/96/82/61/185968261.db2.gz OHKRGESKMZXULF-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN C[C@@H](Sc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000105090978 329406790 /nfs/dbraw/zinc/40/67/90/329406790.db2.gz OZYOPJBZAMEAHM-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN Cc1ccccc1Sc1ccc([N+](=O)[O-])c2cnccc12 ZINC000108721428 330356732 /nfs/dbraw/zinc/35/67/32/330356732.db2.gz XYBWBUIPAVSZFT-UHFFFAOYSA-N 0 0 296.351 4.603 20 5 CJBDRN O=[N+]([O-])c1cccc(Cl)c1CNc1ccc(Cl)cc1 ZINC000111333153 328346908 /nfs/dbraw/zinc/34/69/08/328346908.db2.gz NVQFOSNYGGTQGT-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN O=[N+]([O-])c1cccc(Cl)c1CNc1ccccc1Cl ZINC000111333166 328347013 /nfs/dbraw/zinc/34/70/13/328347013.db2.gz DWVYZDBJLOHJGG-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120369402 330387198 /nfs/dbraw/zinc/38/71/98/330387198.db2.gz IFBCTIHXOWSPMW-LSDHHAIUSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120369534 330387186 /nfs/dbraw/zinc/38/71/86/330387186.db2.gz IFBCTIHXOWSPMW-GJZGRUSLSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120369684 330387254 /nfs/dbraw/zinc/38/72/54/330387254.db2.gz IFBCTIHXOWSPMW-HUUCEWRRSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120369892 330387238 /nfs/dbraw/zinc/38/72/38/330387238.db2.gz IFBCTIHXOWSPMW-CABCVRRESA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173420334 335134189 /nfs/dbraw/zinc/13/41/89/335134189.db2.gz AIRPZMBPKILPAO-LSDHHAIUSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173420347 335134187 /nfs/dbraw/zinc/13/41/87/335134187.db2.gz AIRPZMBPKILPAO-GJZGRUSLSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173420362 335134179 /nfs/dbraw/zinc/13/41/79/335134179.db2.gz AIRPZMBPKILPAO-HUUCEWRRSA-N 0 0 298.386 4.623 20 5 CJBDRN Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000173420373 335134184 /nfs/dbraw/zinc/13/41/84/335134184.db2.gz AIRPZMBPKILPAO-CABCVRRESA-N 0 0 298.386 4.623 20 5 CJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000195541863 333255386 /nfs/dbraw/zinc/25/53/86/333255386.db2.gz OJKRJNOLXQXISB-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000195541865 333255525 /nfs/dbraw/zinc/25/55/25/333255525.db2.gz OJKRJNOLXQXISB-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN Cc1cccc(Sc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000195718666 333261389 /nfs/dbraw/zinc/26/13/89/333261389.db2.gz UDOVCDBPEGAKKT-UHFFFAOYSA-N 0 0 296.351 4.603 20 5 CJBDRN C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000226039041 265129459 /nfs/dbraw/zinc/12/94/59/265129459.db2.gz QCBQEEFUKUQEAF-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000226039052 265129391 /nfs/dbraw/zinc/12/93/91/265129391.db2.gz QCBQEEFUKUQEAF-VIFPVBQESA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@@H](Nc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000226039068 265131281 /nfs/dbraw/zinc/13/12/81/265131281.db2.gz NTQYKTLSMIJPNX-SECBINFHSA-N 0 0 294.713 4.560 20 5 CJBDRN C[C@H](Nc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000226039076 265131277 /nfs/dbraw/zinc/13/12/77/265131277.db2.gz NTQYKTLSMIJPNX-VIFPVBQESA-N 0 0 294.713 4.560 20 5 CJBDRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2Cl)c1 ZINC000230572281 333318983 /nfs/dbraw/zinc/31/89/83/333318983.db2.gz HHFZVDMJROYYKX-UHFFFAOYSA-N 0 0 297.141 4.514 20 5 CJBDRN Cc1ccc(CNc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000237807489 333381622 /nfs/dbraw/zinc/38/16/22/333381622.db2.gz PQJQPKFKRMGSOC-UHFFFAOYSA-N 0 0 292.338 4.669 20 5 CJBDRN Cc1ccc(SCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000247896840 334291206 /nfs/dbraw/zinc/29/12/06/334291206.db2.gz XRRZIRGWVUYTAM-UHFFFAOYSA-N 0 0 273.357 4.504 20 5 CJBDRN Cc1ccccc1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000303015404 333336941 /nfs/dbraw/zinc/33/69/41/333336941.db2.gz YDJIVBFKLCVWPT-GOSISDBHSA-N 0 0 296.370 4.553 20 5 CJBDRN Cc1ccccc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000303015405 333336769 /nfs/dbraw/zinc/33/67/69/333336769.db2.gz YDJIVBFKLCVWPT-SFHVURJKSA-N 0 0 296.370 4.553 20 5 CJBDRN CC[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000303096915 332905899 /nfs/dbraw/zinc/90/58/99/332905899.db2.gz FYJNPSNNXWANSQ-OAHLLOKOSA-N 0 0 273.357 4.838 20 5 CJBDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000386086438 336166048 /nfs/dbraw/zinc/16/60/48/336166048.db2.gz MLIVUKVZMYSJBK-GFCCVEGCSA-N 0 0 296.326 4.823 20 5 CJBDRN Cc1c2ccccc2oc1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000386086439 336165960 /nfs/dbraw/zinc/16/59/60/336165960.db2.gz MLIVUKVZMYSJBK-LBPRGKRZSA-N 0 0 296.326 4.823 20 5 CJBDRN C[C@@H](Nc1cccc2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC000386237562 336168730 /nfs/dbraw/zinc/16/87/30/336168730.db2.gz AFCBRIDQJSBJGO-LLVKDONJSA-N 0 0 298.367 4.983 20 5 CJBDRN C[C@H](Nc1cccc2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC000386237563 336168624 /nfs/dbraw/zinc/16/86/24/336168624.db2.gz AFCBRIDQJSBJGO-NSHDSACASA-N 0 0 298.367 4.983 20 5 CJBDRN Cc1ccc(CNc2cccc3ccsc32)cc1[N+](=O)[O-] ZINC000386333094 336170753 /nfs/dbraw/zinc/17/07/53/336170753.db2.gz QDUZFPBHCLYRCZ-UHFFFAOYSA-N 0 0 298.367 4.730 20 5 CJBDRN C[C@@H](Nc1cccc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000386466751 336175396 /nfs/dbraw/zinc/17/53/96/336175396.db2.gz XRQDCYUMCCUBCW-CYBMUJFWSA-N 0 0 296.370 4.647 20 5 CJBDRN C[C@H](Nc1cccc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000386466752 336175250 /nfs/dbraw/zinc/17/52/50/336175250.db2.gz XRQDCYUMCCUBCW-ZDUSSCGKSA-N 0 0 296.370 4.647 20 5 CJBDRN Cc1c(CNc2cccc3ccsc32)cccc1[N+](=O)[O-] ZINC000386485009 336175596 /nfs/dbraw/zinc/17/55/96/336175596.db2.gz XLKQGHZIAIHPET-UHFFFAOYSA-N 0 0 298.367 4.730 20 5 CJBDRN C[C@@H](Nc1cccc2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000395316196 329282359 /nfs/dbraw/zinc/28/23/59/329282359.db2.gz RDLUZLANYADBFJ-LLVKDONJSA-N 0 0 298.367 4.983 20 5 CJBDRN C[C@H](Nc1cccc2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000395316199 329282338 /nfs/dbraw/zinc/28/23/38/329282338.db2.gz RDLUZLANYADBFJ-NSHDSACASA-N 0 0 298.367 4.983 20 5 CJBDRN CC[C@@H](Nc1cscc1C)c1cccc([N+](=O)[O-])c1 ZINC000395710018 329300322 /nfs/dbraw/zinc/30/03/22/329300322.db2.gz GAFQHYZKYMMEAF-CYBMUJFWSA-N 0 0 276.361 4.528 20 5 CJBDRN CC[C@H](Nc1cscc1C)c1cccc([N+](=O)[O-])c1 ZINC000395710019 329300405 /nfs/dbraw/zinc/30/04/05/329300405.db2.gz GAFQHYZKYMMEAF-ZDUSSCGKSA-N 0 0 276.361 4.528 20 5 CJBDRN CCCCCS[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000437267775 330696439 /nfs/dbraw/zinc/69/64/39/330696439.db2.gz KGLVKJSAZOBGMM-LLVKDONJSA-N 0 0 253.367 4.579 20 5 CJBDRN C[C@@H](SCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000437276183 330696898 /nfs/dbraw/zinc/69/68/98/330696898.db2.gz MLFOCUVETOAWSC-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@H](SCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000437276184 330696899 /nfs/dbraw/zinc/69/68/99/330696899.db2.gz MLFOCUVETOAWSC-NSHDSACASA-N 0 0 291.347 4.728 20 5 CJBDRN Cc1cccc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000437434825 330699756 /nfs/dbraw/zinc/69/97/56/330699756.db2.gz WFBWWYGAEUNHGI-GFCCVEGCSA-N 0 0 273.357 4.757 20 5 CJBDRN C[C@H](Sc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000440852027 330757083 /nfs/dbraw/zinc/75/70/83/330757083.db2.gz XIZRIJNWVCXMCV-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN Cc1cccc(C(C)C)c1NCc1csc([N+](=O)[O-])c1 ZINC000443526131 330800880 /nfs/dbraw/zinc/80/08/80/330800880.db2.gz GGDVAHCEESPLPE-UHFFFAOYSA-N 0 0 290.388 4.700 20 5 CJBDRN O=[N+]([O-])c1cc(CNc2cccc(C3CCC3)c2)cs1 ZINC000461726315 331314137 /nfs/dbraw/zinc/31/41/37/331314137.db2.gz JXCDETFGOCLYBG-UHFFFAOYSA-N 0 0 288.372 4.536 20 5 CJBDRN Cc1cccc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])c1C ZINC000462864405 331333002 /nfs/dbraw/zinc/33/30/02/331333002.db2.gz XUPHZGSSUHQZDP-INIZCTEOSA-N 0 0 296.370 4.553 20 5 CJBDRN Cc1cccc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])c1C ZINC000462864406 331332991 /nfs/dbraw/zinc/33/29/91/331332991.db2.gz XUPHZGSSUHQZDP-MRXNPFEDSA-N 0 0 296.370 4.553 20 5 CJBDRN O=[N+]([O-])c1c(SC2CCCCC2)ccc2ncccc21 ZINC000462921209 331335233 /nfs/dbraw/zinc/33/52/33/331335233.db2.gz DASOEXUBSQNDJN-UHFFFAOYSA-N 0 0 288.372 4.568 20 5 CJBDRN C[C@@H](SC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463034675 331338042 /nfs/dbraw/zinc/33/80/42/331338042.db2.gz FPUZBHRUYNFCFV-LLVKDONJSA-N 0 0 265.378 4.722 20 5 CJBDRN C[C@H](SC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463034676 331338008 /nfs/dbraw/zinc/33/80/08/331338008.db2.gz FPUZBHRUYNFCFV-NSHDSACASA-N 0 0 265.378 4.722 20 5 CJBDRN Cc1ccc(S[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463035830 331337967 /nfs/dbraw/zinc/33/79/67/331337967.db2.gz PTBUKFHKDMEQHX-GFCCVEGCSA-N 0 0 273.357 4.757 20 5 CJBDRN Cc1ccc(S[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000463035837 331337997 /nfs/dbraw/zinc/33/79/97/331337997.db2.gz PTBUKFHKDMEQHX-LBPRGKRZSA-N 0 0 273.357 4.757 20 5 CJBDRN C[C@H](Sc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000463036786 331338062 /nfs/dbraw/zinc/33/80/62/331338062.db2.gz LFFMCIJXNUOOAX-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000463036787 331338152 /nfs/dbraw/zinc/33/81/52/331338152.db2.gz LFFMCIJXNUOOAX-SNVBAGLBSA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](SCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463040401 331338202 /nfs/dbraw/zinc/33/82/02/331338202.db2.gz VKLDSCDLRGAREG-GFCCVEGCSA-N 0 0 273.357 4.589 20 5 CJBDRN C[C@H](SCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463040402 331338220 /nfs/dbraw/zinc/33/82/20/331338220.db2.gz VKLDSCDLRGAREG-LBPRGKRZSA-N 0 0 273.357 4.589 20 5 CJBDRN C[C@H](Sc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000463040437 331338260 /nfs/dbraw/zinc/33/82/60/331338260.db2.gz VXODTDRCVMXAET-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000463040438 331338188 /nfs/dbraw/zinc/33/81/88/331338188.db2.gz VXODTDRCVMXAET-SNVBAGLBSA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000463044237 331338352 /nfs/dbraw/zinc/33/83/52/331338352.db2.gz QHNFWNLEHREWPM-SECBINFHSA-N 0 0 295.697 4.527 20 5 CJBDRN C[C@H](Oc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000463044238 331338476 /nfs/dbraw/zinc/33/84/76/331338476.db2.gz QHNFWNLEHREWPM-VIFPVBQESA-N 0 0 295.697 4.527 20 5 CJBDRN Cc1cnc(N[C@H](C)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000463048829 331338653 /nfs/dbraw/zinc/33/86/53/331338653.db2.gz OSITZBVEHAQTPL-CYBMUJFWSA-N 0 0 299.374 4.595 20 5 CJBDRN Cc1cnc(N[C@@H](C)c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000463048830 331338583 /nfs/dbraw/zinc/33/85/83/331338583.db2.gz OSITZBVEHAQTPL-ZDUSSCGKSA-N 0 0 299.374 4.595 20 5 CJBDRN Cc1cccc(S[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000463256130 331344460 /nfs/dbraw/zinc/34/44/60/331344460.db2.gz JOEWKDGSJPLQSP-GFCCVEGCSA-N 0 0 273.357 4.757 20 5 CJBDRN Cc1cccc(S[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000463256131 331344542 /nfs/dbraw/zinc/34/45/42/331344542.db2.gz JOEWKDGSJPLQSP-LBPRGKRZSA-N 0 0 273.357 4.757 20 5 CJBDRN CCC(CC)S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000463261834 331344615 /nfs/dbraw/zinc/34/46/15/331344615.db2.gz XSGSWAUEPNPOQE-JTQLQIEISA-N 0 0 253.367 4.578 20 5 CJBDRN CCC(CC)S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000463261835 331344642 /nfs/dbraw/zinc/34/46/42/331344642.db2.gz XSGSWAUEPNPOQE-SNVBAGLBSA-N 0 0 253.367 4.578 20 5 CJBDRN Cc1ccccc1S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000463262245 331344712 /nfs/dbraw/zinc/34/47/12/331344712.db2.gz YUBAQJJQXBCMNB-GFCCVEGCSA-N 0 0 273.357 4.757 20 5 CJBDRN Cc1ccccc1S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000463262247 331344706 /nfs/dbraw/zinc/34/47/06/331344706.db2.gz YUBAQJJQXBCMNB-LBPRGKRZSA-N 0 0 273.357 4.757 20 5 CJBDRN C[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000463266673 331344693 /nfs/dbraw/zinc/34/46/93/331344693.db2.gz OHDPTSIFULBDBY-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000463266674 331344747 /nfs/dbraw/zinc/34/47/47/331344747.db2.gz OHDPTSIFULBDBY-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@@H](Sc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000463267441 331344677 /nfs/dbraw/zinc/34/46/77/331344677.db2.gz QXQOBSDALIEASC-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000463267442 331344674 /nfs/dbraw/zinc/34/46/74/331344674.db2.gz QXQOBSDALIEASC-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@@H](Sc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000463267979 331344686 /nfs/dbraw/zinc/34/46/86/331344686.db2.gz SMIWHJUACVHGSQ-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000463267980 331344713 /nfs/dbraw/zinc/34/47/13/331344713.db2.gz SMIWHJUACVHGSQ-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN CCC[C@H](CC)SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000477076258 331675165 /nfs/dbraw/zinc/67/51/65/331675165.db2.gz JUOUXXAILFFABN-NSHDSACASA-N 0 0 294.376 4.548 20 5 CJBDRN Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C1CC1 ZINC000478417152 331705676 /nfs/dbraw/zinc/70/56/76/331705676.db2.gz PTOHKULZINMEBV-CYBMUJFWSA-N 0 0 296.370 4.954 20 5 CJBDRN Cc1ccc(C)c(Oc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000480350395 331769300 /nfs/dbraw/zinc/76/93/00/331769300.db2.gz UJOSOYAHDBVMCS-UHFFFAOYSA-N 0 0 294.310 4.552 20 5 CJBDRN Cc1cccc(Sc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000480457550 331773186 /nfs/dbraw/zinc/77/31/86/331773186.db2.gz BPYZWQUFGVSPOC-UHFFFAOYSA-N 0 0 296.351 4.603 20 5 CJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1cccs1 ZINC000484710943 331904364 /nfs/dbraw/zinc/90/43/64/331904364.db2.gz BUMYAZUXHWCJQP-JTQLQIEISA-N 0 0 279.386 4.818 20 5 CJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCC(F)(F)F ZINC000486145177 331932266 /nfs/dbraw/zinc/93/22/66/331932266.db2.gz HWAKDRRBSKNMPC-SECBINFHSA-N 0 0 293.310 4.650 20 5 CJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCC(F)(F)F ZINC000486145187 331932387 /nfs/dbraw/zinc/93/23/87/331932387.db2.gz HWAKDRRBSKNMPC-VIFPVBQESA-N 0 0 293.310 4.650 20 5 CJBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCOC(C)(C)C ZINC000486146316 331932585 /nfs/dbraw/zinc/93/25/85/331932585.db2.gz KADLIYKCYPLPKT-GFCCVEGCSA-N 0 0 297.420 4.513 20 5 CJBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCOC(C)(C)C ZINC000486146323 331932549 /nfs/dbraw/zinc/93/25/49/331932549.db2.gz KADLIYKCYPLPKT-LBPRGKRZSA-N 0 0 297.420 4.513 20 5 CJBDRN O=[N+]([O-])c1cccc(Cl)c1CSc1cccs1 ZINC000488724020 332022917 /nfs/dbraw/zinc/02/29/17/332022917.db2.gz BOGBBMXHSVPWAS-UHFFFAOYSA-N 0 0 285.777 4.602 20 5 CJBDRN C[C@@H](Nc1csc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000495410612 332517664 /nfs/dbraw/zinc/51/76/64/332517664.db2.gz XZTLDWTYBILKNJ-LLVKDONJSA-N 0 0 298.367 4.983 20 5 CJBDRN C[C@@H](Nc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000495419817 332518215 /nfs/dbraw/zinc/51/82/15/332518215.db2.gz CSIVCTONKMGICK-LLVKDONJSA-N 0 0 298.367 4.983 20 5 CJBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000498109891 329361038 /nfs/dbraw/zinc/36/10/38/329361038.db2.gz JGQHATGCOZQUAE-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000498109892 329361120 /nfs/dbraw/zinc/36/11/20/329361120.db2.gz JGQHATGCOZQUAE-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN O=[N+]([O-])c1cccc(F)c1CSc1ccccc1Cl ZINC000504524250 332714040 /nfs/dbraw/zinc/71/40/40/332714040.db2.gz NNBASPQSTOECAR-UHFFFAOYSA-N 0 0 297.738 4.680 20 5 CJBDRN Cc1cc(CSCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000507813405 332825655 /nfs/dbraw/zinc/82/56/55/332825655.db2.gz JSSBVGHMRNOISO-UHFFFAOYSA-N 0 0 293.413 4.707 20 5 CJBDRN C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000507816286 332825890 /nfs/dbraw/zinc/82/58/90/332825890.db2.gz VEEBNVNFBJFEIO-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN O=[N+]([O-])c1cccc(SCc2ccc(C(F)F)cc2)c1 ZINC000509707785 332880113 /nfs/dbraw/zinc/88/01/13/332880113.db2.gz JXTMROJVNKSCFM-UHFFFAOYSA-N 0 0 295.310 4.825 20 5 CJBDRN O=[N+]([O-])c1cccc(SCc2cccc(C(F)F)c2)c1 ZINC000509726286 332880407 /nfs/dbraw/zinc/88/04/07/332880407.db2.gz BOHCDMUDZRUJCA-UHFFFAOYSA-N 0 0 295.310 4.825 20 5 CJBDRN Cc1ccc2nc(/C=C\c3csc([N+](=O)[O-])c3)ccc2c1 ZINC000510314914 332900000 /nfs/dbraw/zinc/90/00/00/332900000.db2.gz XKWHWTXALLBFFA-HYXAFXHYSA-N 0 0 296.351 4.683 20 5 CJBDRN CC1CCC(c2nc3cc4ccccc4cc3c(=O)[nH]2)CC1 ZINC000510617722 332908117 /nfs/dbraw/zinc/90/81/17/332908117.db2.gz SHWDVLYNONXCAW-UHFFFAOYSA-N 0 0 292.382 4.782 20 5 CJBDRN Cc1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000513556147 333025118 /nfs/dbraw/zinc/02/51/18/333025118.db2.gz CZHYPGDQAJKPBP-UHFFFAOYSA-N 0 0 284.359 4.639 20 5 CJBDRN C[C@@H](Sc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513618552 333027087 /nfs/dbraw/zinc/02/70/87/333027087.db2.gz DVDSXMHKYLLPPK-SECBINFHSA-N 0 0 295.310 4.726 20 5 CJBDRN C[C@H](Sc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000513618553 333027013 /nfs/dbraw/zinc/02/70/13/333027013.db2.gz DVDSXMHKYLLPPK-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN O=[N+]([O-])c1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000513856704 333043402 /nfs/dbraw/zinc/04/34/02/333043402.db2.gz AGTAKGOQXHPGAF-UHFFFAOYSA-N 0 0 290.731 4.525 20 5 CJBDRN O=[N+]([O-])c1cc(-c2nc3cccc(Cl)c3s2)cs1 ZINC000513856713 333043460 /nfs/dbraw/zinc/04/34/60/333043460.db2.gz AMIGBQIAZUOGIB-UHFFFAOYSA-N 0 0 296.760 4.586 20 5 CJBDRN O=[N+]([O-])c1cccc(-c2nc3cccc(Cl)c3s2)c1 ZINC000513856752 333043408 /nfs/dbraw/zinc/04/34/08/333043408.db2.gz AXNKOVYGTUDMGA-UHFFFAOYSA-N 0 0 290.731 4.525 20 5 CJBDRN O=[N+]([O-])c1ccc(CSc2ccc(F)c(Cl)c2)cc1 ZINC000514315605 261649212 /nfs/dbraw/zinc/64/92/12/261649212.db2.gz FDQDPNNQPFFPNV-UHFFFAOYSA-N 0 0 297.738 4.680 20 5 CJBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000516372197 330492621 /nfs/dbraw/zinc/49/26/21/330492621.db2.gz WJORZTDXNWOPHH-UHFFFAOYSA-N 0 0 297.763 4.506 20 5 CJBDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000516381190 330492086 /nfs/dbraw/zinc/49/20/86/330492086.db2.gz BAFKHVIKYDHSTB-JTQLQIEISA-N 0 0 277.320 4.587 20 5 CJBDRN C[C@@H](Sc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000517623010 333104121 /nfs/dbraw/zinc/10/41/21/333104121.db2.gz ZJYYAYKULDVIQI-SECBINFHSA-N 0 0 265.359 4.510 20 5 CJBDRN C[C@H](Sc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000517623021 333104156 /nfs/dbraw/zinc/10/41/56/333104156.db2.gz ZJYYAYKULDVIQI-VIFPVBQESA-N 0 0 265.359 4.510 20 5 CJBDRN C[C@@H](SCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517962674 260327609 /nfs/dbraw/zinc/32/76/09/260327609.db2.gz XGQFSNXRRNWGGM-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@H](SCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000517962675 260327519 /nfs/dbraw/zinc/32/75/19/260327519.db2.gz XGQFSNXRRNWGGM-NSHDSACASA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000517972967 260330010 /nfs/dbraw/zinc/33/00/10/260330010.db2.gz CIFIZFUTEDZJQL-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN C/C=C\c1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000519846526 265621525 /nfs/dbraw/zinc/62/15/25/265621525.db2.gz LFZQNBGDGRCUFE-HYXAFXHYSA-N 0 0 282.343 4.548 20 5 CJBDRN C[C@H](Sc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520139205 328534024 /nfs/dbraw/zinc/53/40/24/328534024.db2.gz XRAPMPUGKUENOV-VIFPVBQESA-N 0 0 295.310 4.726 20 5 CJBDRN C/C=C\c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000521483521 333173557 /nfs/dbraw/zinc/17/35/57/333173557.db2.gz KDPPHBFELHEWTB-DXTPNHAXSA-N 0 0 282.343 4.801 20 5 CJBDRN C/C=C/c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000521483523 329646265 /nfs/dbraw/zinc/64/62/65/329646265.db2.gz KDPPHBFELHEWTB-LQPUYASZSA-N 0 0 282.343 4.801 20 5 CJBDRN C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000521611827 333179865 /nfs/dbraw/zinc/17/98/65/333179865.db2.gz HSIHNCCCVOJHDW-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000521612697 333179796 /nfs/dbraw/zinc/17/97/96/333179796.db2.gz QXODUYSEWXRJJW-NSHDSACASA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@@H](SCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000521613312 333179867 /nfs/dbraw/zinc/17/98/67/333179867.db2.gz ZLVZMPXHGLMZQU-SECBINFHSA-N 0 0 297.376 4.790 20 5 CJBDRN O=[N+]([O-])c1cc(CSCCCc2ccccc2)cs1 ZINC000521958590 333228045 /nfs/dbraw/zinc/22/80/45/333228045.db2.gz OOWZITFVIBIZTO-UHFFFAOYSA-N 0 0 293.413 4.522 20 5 CJBDRN O=[N+]([O-])c1ccccc1CSc1cccc(Cl)c1 ZINC000522393192 333285946 /nfs/dbraw/zinc/28/59/46/333285946.db2.gz XLLYZQKLQUHIEU-UHFFFAOYSA-N 0 0 279.748 4.541 20 5 CJBDRN O=[N+]([O-])c1cc(CSc2cccc(Cl)c2)cs1 ZINC000523184173 333312179 /nfs/dbraw/zinc/31/21/79/333312179.db2.gz NUUPNVVBEZIGAA-UHFFFAOYSA-N 0 0 285.777 4.602 20 5 CJBDRN CC(C)(C)C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000525128772 333400567 /nfs/dbraw/zinc/40/05/67/333400567.db2.gz FBVHRLIKIOVJGZ-AWEZNQCLSA-N 0 0 299.374 4.579 20 5 CJBDRN Cc1ccc(F)c(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537445587 330437012 /nfs/dbraw/zinc/43/70/12/330437012.db2.gz OXSXHYRVSKOAQS-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000537485339 330438079 /nfs/dbraw/zinc/43/80/79/330438079.db2.gz AFFIRYKZSNYRLY-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000538510502 330254227 /nfs/dbraw/zinc/25/42/27/330254227.db2.gz PPUFSJZJAAHOGL-AWEZNQCLSA-N 0 0 284.359 4.693 20 5 CJBDRN Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000538510503 330254129 /nfs/dbraw/zinc/25/41/29/330254129.db2.gz PPUFSJZJAAHOGL-CQSZACIVSA-N 0 0 284.359 4.693 20 5 CJBDRN Cc1cc(F)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000538639100 333610434 /nfs/dbraw/zinc/61/04/34/333610434.db2.gz CWJWIDFQFYTICL-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000539610563 333681051 /nfs/dbraw/zinc/68/10/51/333681051.db2.gz CFOVOXRBYQRBKU-LBPRGKRZSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1F ZINC000539678627 333684744 /nfs/dbraw/zinc/68/47/44/333684744.db2.gz KPFJTULFFOIJEI-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1F ZINC000539678629 327144670 /nfs/dbraw/zinc/14/46/70/327144670.db2.gz KPFJTULFFOIJEI-LBPRGKRZSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1c(F)cccc1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539741703 333688890 /nfs/dbraw/zinc/68/88/90/333688890.db2.gz QPAYGBJTTZVAEH-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1c(F)cccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539741704 327214047 /nfs/dbraw/zinc/21/40/47/327214047.db2.gz QPAYGBJTTZVAEH-LBPRGKRZSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cc(F)ccc1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540821556 333748567 /nfs/dbraw/zinc/74/85/67/333748567.db2.gz LWIGXMONEDEIRX-GFCCVEGCSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cc(F)ccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540821557 333748680 /nfs/dbraw/zinc/74/86/80/333748680.db2.gz LWIGXMONEDEIRX-LBPRGKRZSA-N 0 0 288.322 4.524 20 5 CJBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cccc2ccsc21 ZINC000543621053 333885052 /nfs/dbraw/zinc/88/50/52/333885052.db2.gz CFRANPMYHISCOY-UHFFFAOYSA-N 0 0 298.367 4.730 20 5 CJBDRN Cc1nc(-c2cccc([N+](=O)[O-])c2)sc1-c1ccccc1 ZINC000550963087 334234969 /nfs/dbraw/zinc/23/49/69/334234969.db2.gz VROBDXSCLYPUBP-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN C[C@@H](SCCCCCF)c1ccccc1[N+](=O)[O-] ZINC000551369350 334248062 /nfs/dbraw/zinc/24/80/62/334248062.db2.gz ZCWIMDOVOZCHOZ-LLVKDONJSA-N 0 0 271.357 4.529 20 5 CJBDRN C[C@H](SCCCCCF)c1ccccc1[N+](=O)[O-] ZINC000551369351 334248025 /nfs/dbraw/zinc/24/80/25/334248025.db2.gz ZCWIMDOVOZCHOZ-NSHDSACASA-N 0 0 271.357 4.529 20 5 CJBDRN C[C@@H](SCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552468779 334329818 /nfs/dbraw/zinc/32/98/18/334329818.db2.gz YCWGISNKYUTXRK-LLVKDONJSA-N 0 0 291.347 4.728 20 5 CJBDRN C[C@H](SCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552468781 334329700 /nfs/dbraw/zinc/32/97/00/334329700.db2.gz YCWGISNKYUTXRK-NSHDSACASA-N 0 0 291.347 4.728 20 5 CJBDRN CCC(CC)S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552836350 334347139 /nfs/dbraw/zinc/34/71/39/334347139.db2.gz XMAJBCLVCRNRBE-JTQLQIEISA-N 0 0 253.367 4.578 20 5 CJBDRN CCC(CC)S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552836351 334347288 /nfs/dbraw/zinc/34/72/88/334347288.db2.gz XMAJBCLVCRNRBE-SNVBAGLBSA-N 0 0 253.367 4.578 20 5 CJBDRN C/C=C/c1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000554085644 334410202 /nfs/dbraw/zinc/41/02/02/334410202.db2.gz FVOGNJIFNKKCTG-VUUYWXRKSA-N 0 0 282.343 4.801 20 5 CJBDRN Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1-c1ccccc1 ZINC000556027058 334493586 /nfs/dbraw/zinc/49/35/86/334493586.db2.gz XODPBMUBNPTIGM-UHFFFAOYSA-N 0 0 296.351 4.694 20 5 CJBDRN C[C@@H](SCCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000559952682 327273863 /nfs/dbraw/zinc/27/38/63/327273863.db2.gz MJORDXDDORFSOH-LLVKDONJSA-N 0 0 271.357 4.529 20 5 CJBDRN C[C@H](SCCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000559952683 327273779 /nfs/dbraw/zinc/27/37/79/327273779.db2.gz MJORDXDDORFSOH-NSHDSACASA-N 0 0 271.357 4.529 20 5 CJBDRN CCCCOc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000575758336 335112775 /nfs/dbraw/zinc/11/27/75/335112775.db2.gz YEXFIORSYQKIFX-UHFFFAOYSA-N 0 0 277.345 4.502 20 5 CJBDRN C/C=C\c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000582852811 329280250 /nfs/dbraw/zinc/28/02/50/329280250.db2.gz WLSWXMFOGVPNRJ-DHCBQETCSA-N 0 0 282.343 4.801 20 5 CJBDRN C/C=C/c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000582852813 329280056 /nfs/dbraw/zinc/28/00/56/329280056.db2.gz WLSWXMFOGVPNRJ-ITDFMYJTSA-N 0 0 282.343 4.801 20 5 CJBDRN C/C=C/c1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000582852814 329280133 /nfs/dbraw/zinc/28/01/33/329280133.db2.gz WLSWXMFOGVPNRJ-OOPCZODUSA-N 0 0 282.343 4.801 20 5 CJBDRN C/C=C\c1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000582852815 329280288 /nfs/dbraw/zinc/28/02/88/329280288.db2.gz WLSWXMFOGVPNRJ-SCOBNMCVSA-N 0 0 282.343 4.801 20 5 CJBDRN