smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCc1ncccc1[O-] ZINC001169731438 1081645341 /nfs/dbraw/zinc/64/53/41/1081645341.db2.gz FPFUGAIKOWGRGD-UHFFFAOYSA-N -1 3 322.324 3.370 20 5 DGBDHM Nc1ccc(Nc2cccc([O-])c2Br)cc1[N+](=O)[O-] ZINC001209940138 1092990651 /nfs/dbraw/zinc/99/06/51/1092990651.db2.gz ZWGJSNATRNGYHD-UHFFFAOYSA-N -1 3 324.134 3.389 20 5 DGBDHM COC(=O)c1ccc([O-])c(Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001213667439 1093638063 /nfs/dbraw/zinc/63/80/63/1093638063.db2.gz RITBYWDECGMZJH-UHFFFAOYSA-N -1 3 302.286 3.139 20 5 DGBDHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])c([N+](=O)[O-])cc1F ZINC001135745411 1094659386 /nfs/dbraw/zinc/65/93/86/1094659386.db2.gz SNWVFARUTOKWGB-UHFFFAOYSA-N -1 3 320.276 3.009 20 5 DGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001118315276 1095981721 /nfs/dbraw/zinc/98/17/21/1095981721.db2.gz ONWIXYNMKLXZEF-OCCSQVGLSA-N -1 3 318.373 3.305 20 5 DGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCc2c(Cl)ccnc21 ZINC001225664316 1096498165 /nfs/dbraw/zinc/49/81/65/1096498165.db2.gz NAGHWCOSGQNMNN-NSHDSACASA-N -1 3 321.720 3.200 20 5 DGBDHM CC(C)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227743936 1096980361 /nfs/dbraw/zinc/98/03/61/1096980361.db2.gz CFJVMLAJOAEDDI-JTQLQIEISA-N -1 3 303.240 3.437 20 5 DGBDHM CC(C)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227743936 1096980367 /nfs/dbraw/zinc/98/03/67/1096980367.db2.gz CFJVMLAJOAEDDI-JTQLQIEISA-N -1 3 303.240 3.437 20 5 DGBDHM Cc1cc2[n-]c(O[C@@H](C)c3ncccc3F)nc2cc1[N+](=O)[O-] ZINC001228676301 1097165425 /nfs/dbraw/zinc/16/54/25/1097165425.db2.gz ZCVVXPQMJWUZMD-VIFPVBQESA-N -1 3 316.292 3.454 20 5 DGBDHM Cc1cccc(OC[C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c1 ZINC001228690081 1097169170 /nfs/dbraw/zinc/16/91/70/1097169170.db2.gz ZEFYGWYPAHWKGX-LLVKDONJSA-N -1 3 318.329 3.159 20 5 DGBDHM O=C1CCCC[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505864 1098355984 /nfs/dbraw/zinc/35/59/84/1098355984.db2.gz IOKMXXJPZGLLBO-GFCCVEGCSA-N -1 3 309.709 3.015 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2OC(F)(F)F)c1 ZINC001199828241 1102227471 /nfs/dbraw/zinc/22/74/71/1102227471.db2.gz DDWLRQOKBVJFGC-UHFFFAOYSA-N -1 3 315.207 3.338 20 5 DGBDHM COC(=O)c1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221524 1102532670 /nfs/dbraw/zinc/53/26/70/1102532670.db2.gz ACYOMGKENFRWOT-UHFFFAOYSA-N -1 3 302.286 3.139 20 5 DGBDHM COc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC001201221824 1102532756 /nfs/dbraw/zinc/53/27/56/1102532756.db2.gz IJMQNHLMXCJNRQ-UHFFFAOYSA-N -1 3 304.302 3.370 20 5 DGBDHM COC(=O)c1cccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222393 1102533055 /nfs/dbraw/zinc/53/30/55/1102533055.db2.gz NCWXOGFLNYGPLG-UHFFFAOYSA-N -1 3 302.286 3.139 20 5 DGBDHM Cc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1C ZINC001212844347 1104273905 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Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2[O-])c1 ZINC000344402629 254267200 /nfs/dbraw/zinc/26/72/00/254267200.db2.gz AGXJGOGVDRQOCV-UHFFFAOYSA-N -1 3 316.313 3.016 20 5 DGBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOCCC(F)(F)F ZINC000289734002 221189092 /nfs/dbraw/zinc/18/90/92/221189092.db2.gz JCBYNSDLNDQLNH-UHFFFAOYSA-N -1 3 321.255 3.163 20 5 DGBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCCC(F)(F)F ZINC000289734002 221189094 /nfs/dbraw/zinc/18/90/94/221189094.db2.gz JCBYNSDLNDQLNH-UHFFFAOYSA-N -1 3 321.255 3.163 20 5 DGBDHM Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000010891050 400137260 /nfs/dbraw/zinc/13/72/60/400137260.db2.gz OFRRZBWPTOIZKP-UHFFFAOYSA-N -1 3 315.329 3.050 20 5 DGBDHM CC(C)c1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600800498 400158781 /nfs/dbraw/zinc/15/87/81/400158781.db2.gz MFTVPWBOJPUDFE-DOMZBBRYSA-N -1 3 320.389 3.261 20 5 DGBDHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000016147241 400171501 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CC(C)c1cnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000269526423 432182428 /nfs/dbraw/zinc/18/24/28/432182428.db2.gz RIENTMWDGIKJQH-UHFFFAOYSA-N -1 3 323.378 3.274 20 5 DGBDHM Cc1cc(=O)[n-]c([C@@H](C)SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000131225817 196151153 /nfs/dbraw/zinc/15/11/53/196151153.db2.gz OGGKPMLOUNITCY-SNVBAGLBSA-N -1 3 305.359 3.393 20 5 DGBDHM Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000008378806 431395772 /nfs/dbraw/zinc/39/57/72/431395772.db2.gz NIHIKLMWMVRUJB-UHFFFAOYSA-N -1 3 318.354 3.340 20 5 DGBDHM O=[N+]([O-])c1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112627 431545689 /nfs/dbraw/zinc/54/56/89/431545689.db2.gz GNFFCYJZHXALQO-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM CC(C)c1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263076482 432518848 /nfs/dbraw/zinc/51/88/48/432518848.db2.gz QTQHKRNXPNSJCP-TZMCWYRMSA-N -1 3 320.389 3.261 20 5 DGBDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000297427816 432995074 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321.377 3.024 20 5 DGBDHM O=[N+]([O-])c1ccsc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826500548 628852785 /nfs/dbraw/zinc/85/27/85/628852785.db2.gz BSQAYPFYZCNJLY-UHFFFAOYSA-N -1 3 323.721 3.282 20 5 DGBDHM O=[N+]([O-])c1ccsc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826500548 628852789 /nfs/dbraw/zinc/85/27/89/628852789.db2.gz BSQAYPFYZCNJLY-UHFFFAOYSA-N -1 3 323.721 3.282 20 5 DGBDHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(N)c([N+](=O)[O-])c1 ZINC000104861838 630560192 /nfs/dbraw/zinc/56/01/92/630560192.db2.gz TUQHEPPSFFOMHT-UHFFFAOYSA-N -1 3 321.720 3.097 20 5 DGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(CCCC3)C2)c1 ZINC000846244952 631216404 /nfs/dbraw/zinc/21/64/04/631216404.db2.gz RAPXNKISGXVNHW-UHFFFAOYSA-N -1 3 304.346 3.059 20 5 DGBDHM O=C(Oc1ccc2oc3ccccc3c2c1)c1cc([N+](=O)[O-])n[n-]1 ZINC000794821575 661107333 /nfs/dbraw/zinc/10/73/33/661107333.db2.gz COFODKYRALKAJU-UHFFFAOYSA-N -1 3 323.264 3.437 20 5 DGBDHM CCC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001576533772 1191840144 /nfs/dbraw/zinc/84/01/44/1191840144.db2.gz GXWYRKPOYOHTNW-SECBINFHSA-N -1 3 304.354 3.012 20 5 DGBDHM CCC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001576533772 1191840152 /nfs/dbraw/zinc/84/01/52/1191840152.db2.gz GXWYRKPOYOHTNW-SECBINFHSA-N -1 3 304.354 3.012 20 5 DGBDHM CCCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001577506786 1191905981 /nfs/dbraw/zinc/90/59/81/1191905981.db2.gz YNJZFGPPZGYBJH-UHFFFAOYSA-N -1 3 304.354 3.076 20 5 DGBDHM CCCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001577506786 1191905984 /nfs/dbraw/zinc/90/59/84/1191905984.db2.gz YNJZFGPPZGYBJH-UHFFFAOYSA-N -1 3 304.354 3.076 20 5 DGBDHM CC(C)(C)CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589122853 1192458576 /nfs/dbraw/zinc/45/85/76/1192458576.db2.gz GMZRMUVTDKDXCB-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CC(C)(C)CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589122853 1192458578 /nfs/dbraw/zinc/45/85/78/1192458578.db2.gz GMZRMUVTDKDXCB-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589588023 1192469130 /nfs/dbraw/zinc/46/91/30/1192469130.db2.gz HIFCVFAGHLHKGV-SNVBAGLBSA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589588023 1192469132 /nfs/dbraw/zinc/46/91/32/1192469132.db2.gz HIFCVFAGHLHKGV-SNVBAGLBSA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)CCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589593530 1192470286 /nfs/dbraw/zinc/47/02/86/1192470286.db2.gz OCSNHZAKIZEZHY-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)CCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589593530 1192470290 /nfs/dbraw/zinc/47/02/90/1192470290.db2.gz OCSNHZAKIZEZHY-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC1(C)CCC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590093851 1192488211 /nfs/dbraw/zinc/48/82/11/1192488211.db2.gz NPQZOBUMGVJGTH-NSHDSACASA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590093851 1192488213 /nfs/dbraw/zinc/48/82/13/1192488213.db2.gz NPQZOBUMGVJGTH-NSHDSACASA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001590134225 1192490445 /nfs/dbraw/zinc/49/04/45/1192490445.db2.gz QUFNHPLUALSMLN-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001590134225 1192490448 /nfs/dbraw/zinc/49/04/48/1192490448.db2.gz QUFNHPLUALSMLN-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CCc1cccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001590895918 1192556429 /nfs/dbraw/zinc/55/64/29/1192556429.db2.gz PZQVDOBQEVELBN-UHFFFAOYSA-N -1 3 310.317 3.081 20 5 DGBDHM CCc1cccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001590895918 1192556430 /nfs/dbraw/zinc/55/64/30/1192556430.db2.gz PZQVDOBQEVELBN-UHFFFAOYSA-N -1 3 310.317 3.081 20 5 DGBDHM Cc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001592235057 1192605024 /nfs/dbraw/zinc/60/50/24/1192605024.db2.gz GHXZTZJESPGHQW-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001592235057 1192605026 /nfs/dbraw/zinc/60/50/26/1192605026.db2.gz GHXZTZJESPGHQW-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM O=C([N-]Oc1ccccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001594746951 1192648479 /nfs/dbraw/zinc/64/84/79/1192648479.db2.gz NRZWYNRLTFTKGB-UHFFFAOYSA-N -1 3 310.668 3.111 20 5 DGBDHM CCC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001604086995 1193049274 /nfs/dbraw/zinc/04/92/74/1193049274.db2.gz UMJFWMDXBVLGIX-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001604086995 1193049277 /nfs/dbraw/zinc/04/92/77/1193049277.db2.gz UMJFWMDXBVLGIX-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC1 ZINC001604144815 1193055702 /nfs/dbraw/zinc/05/57/02/1193055702.db2.gz MCHHJGWEZKNKIN-CYBMUJFWSA-N -1 3 316.365 3.156 20 5 DGBDHM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCC1 ZINC001604144815 1193055705 /nfs/dbraw/zinc/05/57/05/1193055705.db2.gz MCHHJGWEZKNKIN-CYBMUJFWSA-N -1 3 316.365 3.156 20 5 DGBDHM CC(C)c1cc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])no1 ZINC001463520611 1183029691 /nfs/dbraw/zinc/02/96/91/1183029691.db2.gz WTLPBCRPZKHYHY-UHFFFAOYSA-N -1 3 311.244 3.237 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1ccc(F)cc1 ZINC001607079697 1193211252 /nfs/dbraw/zinc/21/12/52/1193211252.db2.gz CTPVHNFOZZEKCJ-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1ccc(F)cc1 ZINC001607079697 1193211254 /nfs/dbraw/zinc/21/12/54/1193211254.db2.gz CTPVHNFOZZEKCJ-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=c1[n-]ccc(N[C@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001472851806 1183690259 /nfs/dbraw/zinc/69/02/59/1183690259.db2.gz NMIKCIYYBNMOMM-NSHDSACASA-N -1 3 305.721 3.448 20 5 DGBDHM CCC[C@H](C)CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561879262 1189463654 /nfs/dbraw/zinc/46/36/54/1189463654.db2.gz SYTLOMNNIBLLSV-VIFPVBQESA-N -1 3 320.436 3.069 20 5 DGBDHM CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1[O-] ZINC001638893030 1194742215 /nfs/dbraw/zinc/74/22/15/1194742215.db2.gz SYCBLJYIGBCOCL-UHFFFAOYSA-N -1 3 315.329 3.157 20 5 DGBDHM CCc1nnc(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)s1 ZINC001640139739 1194798322 /nfs/dbraw/zinc/79/83/22/1194798322.db2.gz KZXCEAVSEXVRAW-UHFFFAOYSA-N -1 3 307.360 3.036 20 5 DGBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C(F)F)c2)c(C(F)(F)F)c1 ZINC001655357138 1195907911 /nfs/dbraw/zinc/90/79/11/1195907911.db2.gz RMJHVQHNEHEUDJ-UHFFFAOYSA-N -1 3 323.181 3.344 20 5 DGBDHM C=COc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001573352106 947624916 /nfs/dbraw/zinc/62/49/16/947624916.db2.gz ZPZSFRJJUZWFJO-UHFFFAOYSA-N -1 3 324.300 3.041 20 5 DGBDHM C=COc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001573352106 947624923 /nfs/dbraw/zinc/62/49/23/947624923.db2.gz ZPZSFRJJUZWFJO-UHFFFAOYSA-N -1 3 324.300 3.041 20 5 DGBDHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC001183345876 1083933452 /nfs/dbraw/zinc/93/34/52/1083933452.db2.gz QYHUEZMXFSOPKY-UHFFFAOYSA-N -1 3 308.284 3.177 20 5 DGBDHM O=c1[n-]ccc(NCc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001184515976 1084209453 /nfs/dbraw/zinc/20/94/53/1084209453.db2.gz ITLLWOBEWGVEAQ-UHFFFAOYSA-N -1 3 313.235 3.326 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001160502835 1088840819 /nfs/dbraw/zinc/84/08/19/1088840819.db2.gz VZVODGGQMJRUGH-UHFFFAOYSA-N -1 3 318.304 3.238 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])cc2F)c1C ZINC001295478371 1091578935 /nfs/dbraw/zinc/57/89/35/1091578935.db2.gz CLEPUGSEKUEDRB-UHFFFAOYSA-N -1 3 304.277 3.309 20 5 DGBDHM O=c1cc(Nc2ccc(F)cc2[N+](=O)[O-])[n-]n1-c1ccccc1 ZINC001210952791 1093333698 /nfs/dbraw/zinc/33/36/98/1093333698.db2.gz QHOZOFDEFRRRPK-UHFFFAOYSA-N -1 3 314.276 3.369 20 5 DGBDHM O=c1cc(Nc2ccc(F)c([N+](=O)[O-])c2)n(C2CCCC2)[n-]1 ZINC001211190035 1093410008 /nfs/dbraw/zinc/41/00/08/1093410008.db2.gz IAQKTPBVIPAVIM-UHFFFAOYSA-N -1 3 306.297 3.495 20 5 DGBDHM Cc1ccc(Nc2cccc(C(=O)N(C)C)c2[O-])c([N+](=O)[O-])c1 ZINC001214176224 1093727624 /nfs/dbraw/zinc/72/76/24/1093727624.db2.gz YICSVXOMXJSUGO-UHFFFAOYSA-N -1 3 315.329 3.054 20 5 DGBDHM CCc1c(C)sc2[n-]c(-c3cc([N+](=O)[O-])ccn3)nc(=O)c12 ZINC001338401343 1095291266 /nfs/dbraw/zinc/29/12/66/1095291266.db2.gz FXUPFCDVUMRRLT-UHFFFAOYSA-N -1 3 316.342 3.238 20 5 DGBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1c(F)cccc1[N+](=O)[O-] ZINC001124396829 1095587036 /nfs/dbraw/zinc/58/70/36/1095587036.db2.gz RQMBTRIEKDEIQC-UHFFFAOYSA-N -1 3 323.211 3.034 20 5 DGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCc2c1cc(F)cc2F ZINC001225664537 1096499420 /nfs/dbraw/zinc/49/94/20/1096499420.db2.gz QJZULMARFRXQHE-LBPRGKRZSA-N -1 3 308.240 3.040 20 5 DGBDHM C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001226299468 1096656547 /nfs/dbraw/zinc/65/65/47/1096656547.db2.gz AYDSSHRRXGHVTR-SECBINFHSA-N -1 3 317.370 3.302 20 5 DGBDHM CC(C)C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(=O)OC(C)C ZINC001226334095 1096663691 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DGBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC001228688657 1097168100 /nfs/dbraw/zinc/16/81/00/1097168100.db2.gz MGAHHYSPURCLMJ-SECBINFHSA-N -1 3 319.273 3.052 20 5 DGBDHM O=[N+]([O-])c1cc2[n-]c(OC3CC(F)(F)C3)nc2cc1Cl ZINC001233496788 1098352267 /nfs/dbraw/zinc/35/22/67/1098352267.db2.gz AKBWYPMPPRUAJL-UHFFFAOYSA-N -1 3 303.652 3.301 20 5 DGBDHM O=C1CCCC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505865 1098355770 /nfs/dbraw/zinc/35/57/70/1098355770.db2.gz IOKMXXJPZGLLBO-LBPRGKRZSA-N -1 3 309.709 3.015 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)nnc2Cl)c1 ZINC001199801278 1102217757 /nfs/dbraw/zinc/21/77/57/1102217757.db2.gz CMXOUUXKFQGYIS-UHFFFAOYSA-N -1 3 301.089 3.141 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnn(Cc3ccccc3)c2)c1 ZINC001199802067 1102217188 /nfs/dbraw/zinc/21/71/88/1102217188.db2.gz KPPIEPPEGQOFSG-UHFFFAOYSA-N -1 3 310.313 3.289 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2Br)c1 ZINC001199801376 1102217851 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CC(C)c1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600800509 400158621 /nfs/dbraw/zinc/15/86/21/400158621.db2.gz MFTVPWBOJPUDFE-SWLSCSKDSA-N -1 3 320.389 3.261 20 5 DGBDHM Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1[N+](=O)[O-] ZINC000028266829 400286941 /nfs/dbraw/zinc/28/69/41/400286941.db2.gz OUPVKOPOULWFIU-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000028266829 400286946 /nfs/dbraw/zinc/28/69/46/400286946.db2.gz OUPVKOPOULWFIU-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM O=c1[n-]ccc(NCCCCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000596064046 400307671 /nfs/dbraw/zinc/30/76/71/400307671.db2.gz AUDFWKCZEMQHHI-UHFFFAOYSA-N -1 3 321.308 3.106 20 5 DGBDHM CCCCO[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596149866 400331338 /nfs/dbraw/zinc/33/13/38/400331338.db2.gz BFLKFRJUYKROPJ-NEPJUHHUSA-N -1 3 309.366 3.091 20 5 DGBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000596187193 400344165 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Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1nnc(C(C)C)s1 ZINC000597668779 400658607 /nfs/dbraw/zinc/65/86/07/400658607.db2.gz ZNGRKZAAWLKYTE-UHFFFAOYSA-N -1 3 320.374 3.439 20 5 DGBDHM C[C@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000077216225 400696870 /nfs/dbraw/zinc/69/68/70/400696870.db2.gz PUUQHXNMDIFNTO-JTQLQIEISA-N -1 3 322.324 3.235 20 5 DGBDHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000055464902 400871045 /nfs/dbraw/zinc/87/10/45/400871045.db2.gz DJNXTIMJODDIMQ-NSHDSACASA-N -1 3 300.314 3.100 20 5 DGBDHM CCSc1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000358896135 286180278 /nfs/dbraw/zinc/18/02/78/286180278.db2.gz MWBAUXAZKLSYDI-UHFFFAOYSA-N -1 3 324.387 3.119 20 5 DGBDHM O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000317448188 263895806 /nfs/dbraw/zinc/89/58/06/263895806.db2.gz VKECNWPJVWUGEF-UHFFFAOYSA-N -1 3 301.233 3.157 20 5 DGBDHM O=C([N-]c1c(F)cccc1N1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000068339651 431122008 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Cc1c(CNC(=O)c2cc([O-])ccc2Cl)cccc1[N+](=O)[O-] ZINC000349679688 432990346 /nfs/dbraw/zinc/99/03/46/432990346.db2.gz MVKDWWNPSSDWDT-UHFFFAOYSA-N -1 3 320.732 3.192 20 5 DGBDHM CCc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000412990258 433255477 /nfs/dbraw/zinc/25/54/77/433255477.db2.gz FGPZMUQVNQFANE-UHFFFAOYSA-N -1 3 315.329 3.109 20 5 DGBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000507516187 294302628 /nfs/dbraw/zinc/30/26/28/294302628.db2.gz RXFNWZPHAIBFCH-GFCCVEGCSA-N -1 3 314.407 3.006 20 5 DGBDHM COc1c(C(=O)Nc2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000476449752 435236894 /nfs/dbraw/zinc/23/68/94/435236894.db2.gz AAOKWEYVFDHMJL-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM CC(=O)c1cccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1[O-] ZINC000561709883 314979104 /nfs/dbraw/zinc/97/91/04/314979104.db2.gz WNLCKDKGAAXFMD-UHFFFAOYSA-N -1 3 314.297 3.064 20 5 DGBDHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000563930769 315147757 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DGBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])cc1O ZINC000746059700 575429767 /nfs/dbraw/zinc/42/97/67/575429767.db2.gz RHABHRUWCZOHQR-UHFFFAOYSA-N -1 3 323.688 3.016 20 5 DGBDHM O=[N+]([O-])c1ccccc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000738368069 576078583 /nfs/dbraw/zinc/07/85/83/576078583.db2.gz CTCPZZBMSSJQDU-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1ccccc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000738368069 576078586 /nfs/dbraw/zinc/07/85/86/576078586.db2.gz CTCPZZBMSSJQDU-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000916853709 620648473 /nfs/dbraw/zinc/64/84/73/620648473.db2.gz AFYJLUMINZAGFA-UHFFFAOYSA-N -1 3 311.297 3.307 20 5 DGBDHM COc1cccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c1C ZINC000895584372 618802161 /nfs/dbraw/zinc/80/21/61/618802161.db2.gz LEJOHOKENBBUGZ-UHFFFAOYSA-N -1 3 318.329 3.238 20 5 DGBDHM O=C([O-])C1(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000903701567 619801431 /nfs/dbraw/zinc/80/14/31/619801431.db2.gz QSEGGTHQLOETGG-UHFFFAOYSA-N -1 3 318.373 3.204 20 5 DGBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000756333419 621628351 /nfs/dbraw/zinc/62/83/51/621628351.db2.gz RBGXMZKROUVRDQ-AWEZNQCLSA-N -1 3 320.732 3.164 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777963789 623591772 /nfs/dbraw/zinc/59/17/72/623591772.db2.gz LHEUXNPQSJFQRV-UHFFFAOYSA-N -1 3 322.361 3.053 20 5 DGBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1 ZINC000782285929 624233153 /nfs/dbraw/zinc/23/31/53/624233153.db2.gz SFZAEVKQGLOBIF-UHFFFAOYSA-N -1 3 307.689 3.311 20 5 DGBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000928789020 628188487 /nfs/dbraw/zinc/18/84/87/628188487.db2.gz YDZHHJYPLKIKKA-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000822254335 628433491 /nfs/dbraw/zinc/43/34/91/628433491.db2.gz HGPKUSCUHICHDH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822254335 628433494 /nfs/dbraw/zinc/43/34/94/628433494.db2.gz HGPKUSCUHICHDH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM C[C@@H](Nc1sccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824671443 628682455 /nfs/dbraw/zinc/68/24/55/628682455.db2.gz ZGMTYJXUWVEFLC-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@@H](Nc1sccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824671443 628682456 /nfs/dbraw/zinc/68/24/56/628682456.db2.gz ZGMTYJXUWVEFLC-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM O=C([O-])[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000840995811 630392513 /nfs/dbraw/zinc/39/25/13/630392513.db2.gz ZQNXESWFJOLHAK-LJQANCHMSA-N -1 3 321.376 3.278 20 5 DGBDHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844935940 630992428 /nfs/dbraw/zinc/99/24/28/630992428.db2.gz FYEDKJAMVBMVNT-SNVBAGLBSA-N -1 3 321.160 3.197 20 5 DGBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C ZINC000014256448 657979749 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DGBDHM Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592250897 1192604352 /nfs/dbraw/zinc/60/43/52/1192604352.db2.gz YNFRJRCCMVBWRV-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC001600374480 1192839420 /nfs/dbraw/zinc/83/94/20/1192839420.db2.gz XUQBPNTUIKFYSW-IINYFYTJSA-N -1 3 320.370 3.441 20 5 DGBDHM O=C([O-])C1(N(Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)CCC1 ZINC001601719663 1192942840 /nfs/dbraw/zinc/94/28/40/1192942840.db2.gz QHIAJRJRQGACRQ-UHFFFAOYSA-N -1 3 324.764 3.220 20 5 DGBDHM CC(C)C(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001603223531 1193011500 /nfs/dbraw/zinc/01/15/00/1193011500.db2.gz NLYQTFHNZUVBDN-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC(C)C(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001603223531 1193011503 /nfs/dbraw/zinc/01/15/03/1193011503.db2.gz NLYQTFHNZUVBDN-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604000899 1193042862 /nfs/dbraw/zinc/04/28/62/1193042862.db2.gz PARJLSORIFIWGS-MWLCHTKSSA-N -1 3 318.381 3.320 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604000899 1193042867 /nfs/dbraw/zinc/04/28/67/1193042867.db2.gz PARJLSORIFIWGS-MWLCHTKSSA-N -1 3 318.381 3.320 20 5 DGBDHM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604001410 1193043521 /nfs/dbraw/zinc/04/35/21/1193043521.db2.gz UDTGKHAKUSAEQA-VHSXEESVSA-N -1 3 304.354 3.012 20 5 DGBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1F ZINC001446243469 1182165003 /nfs/dbraw/zinc/16/50/03/1182165003.db2.gz YULPSKQONUPHOO-UHFFFAOYSA-N -1 3 320.276 3.091 20 5 DGBDHM Cc1cccc(C2=CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001472743371 1183676012 /nfs/dbraw/zinc/67/60/12/1183676012.db2.gz MFAUHXUSLSSTIB-UHFFFAOYSA-N -1 3 311.341 3.298 20 5 DGBDHM Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001607784047 1193256931 /nfs/dbraw/zinc/25/69/31/1193256931.db2.gz KGRRMFRHULXJRQ-GFCCVEGCSA-N -1 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1189183761 /nfs/dbraw/zinc/18/37/61/1189183761.db2.gz RNVXRULWNGSAKD-UHFFFAOYSA-N -1 3 319.321 3.428 20 5 DGBDHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001624630683 1194007148 /nfs/dbraw/zinc/00/71/48/1194007148.db2.gz AGPHKMBGOOZOCE-UHFFFAOYSA-N -1 3 314.194 3.404 20 5 DGBDHM O=C(Nc1ccc2sccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001641093175 1194838963 /nfs/dbraw/zinc/83/89/63/1194838963.db2.gz QIOIISRLMSOEIF-UHFFFAOYSA-N -1 3 315.310 3.162 20 5 DGBDHM CCO[C@@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819047 1194942933 /nfs/dbraw/zinc/94/29/33/1194942933.db2.gz MERFZRMQKUMKDN-JKSUJKDBSA-N -1 3 322.405 3.374 20 5 DGBDHM COc1cc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1OC ZINC001650781309 1195381543 /nfs/dbraw/zinc/38/15/43/1195381543.db2.gz GKOHTUNJWAIOPU-UHFFFAOYSA-N -1 3 322.292 3.069 20 5 DGBDHM O=c1[n-]ccc(S[C@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001650851181 1195388900 /nfs/dbraw/zinc/38/89/00/1195388900.db2.gz CPBOWPZKHZZUKH-NSHDSACASA-N -1 3 304.327 3.311 20 5 DGBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001655182405 1195886749 /nfs/dbraw/zinc/88/67/49/1195886749.db2.gz YLIOFUWRCRQKKS-GFCCVEGCSA-N -1 3 323.736 3.148 20 5 DGBDHM Cc1cc(S(=O)(=O)[N-]CCCCC(C)C)c([N+](=O)[O-])s1 ZINC001662297523 1196704233 /nfs/dbraw/zinc/70/42/33/1196704233.db2.gz VBAMFIJASXBAEW-UHFFFAOYSA-N -1 3 320.436 3.069 20 5 DGBDHM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccc([N+](=O)[O-])cc1 ZINC001599901239 984831160 /nfs/dbraw/zinc/83/11/60/984831160.db2.gz BMTCFRJOGNCJKW-VIFPVBQESA-N -1 3 306.343 3.205 20 5 DGBDHM CC[C@H](C)CO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001159862676 1088525114 /nfs/dbraw/zinc/52/51/14/1088525114.db2.gz ZRVIKFPLZPTTQT-JTQLQIEISA-N -1 3 314.769 3.275 20 5 DGBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1F ZINC001151092774 1092865029 /nfs/dbraw/zinc/86/50/29/1092865029.db2.gz NNYJYUAAYSFPER-UHFFFAOYSA-N -1 3 308.240 3.139 20 5 DGBDHM O=c1cc(Nc2cccc([N+](=O)[O-])c2F)n(C2CCCC2)[n-]1 ZINC001210378376 1093147139 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DGBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])cc1 ZINC000735524070 574705110 /nfs/dbraw/zinc/70/51/10/574705110.db2.gz XBPXBSQLXZCPFM-UHFFFAOYSA-N -1 3 307.689 3.311 20 5 DGBDHM CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735603364 574708149 /nfs/dbraw/zinc/70/81/49/574708149.db2.gz ZSLAXPLIZGVXFW-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735603364 574708151 /nfs/dbraw/zinc/70/81/51/574708151.db2.gz ZSLAXPLIZGVXFW-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM O=C([O-])C1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000739514531 574906273 /nfs/dbraw/zinc/90/62/73/574906273.db2.gz SVEKRRFZDAFTNF-UHFFFAOYSA-N -1 3 312.753 3.125 20 5 DGBDHM CCOC(=O)[C@@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000749322211 575644601 /nfs/dbraw/zinc/64/46/01/575644601.db2.gz WZMAYTUFDHIENB-GFCCVEGCSA-N -1 3 316.304 3.263 20 5 DGBDHM Cc1cc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000742489945 575842102 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CCC[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001577301214 1191892274 /nfs/dbraw/zinc/89/22/74/1191892274.db2.gz QXNHADLZSBQDAX-SNVBAGLBSA-N -1 3 304.354 3.013 20 5 DGBDHM CC1(C)CCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590095907 1192489780 /nfs/dbraw/zinc/48/97/80/1192489780.db2.gz NNKIFSIKIKKPLB-SNVBAGLBSA-N -1 3 316.365 3.013 20 5 DGBDHM CC1(C)CCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590095907 1192489783 /nfs/dbraw/zinc/48/97/83/1192489783.db2.gz NNKIFSIKIKKPLB-SNVBAGLBSA-N -1 3 316.365 3.013 20 5 DGBDHM CCC(CC)CN(CC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590433948 1192508447 /nfs/dbraw/zinc/50/84/47/1192508447.db2.gz RMUJXRNHMQMEFY-UHFFFAOYSA-N -1 3 318.381 3.037 20 5 DGBDHM CCC(CC)CN(CC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590433948 1192508448 /nfs/dbraw/zinc/50/84/48/1192508448.db2.gz RMUJXRNHMQMEFY-UHFFFAOYSA-N -1 3 318.381 3.037 20 5 DGBDHM Cc1ccc(Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001592196315 1192599754 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCC1CCCC1 ZINC001593468805 1192632597 /nfs/dbraw/zinc/63/25/97/1192632597.db2.gz SBUYMANZHMQCHN-UHFFFAOYSA-N -1 3 319.390 3.198 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCC1CCCC1 ZINC001593468805 1192632599 /nfs/dbraw/zinc/63/25/99/1192632599.db2.gz SBUYMANZHMQCHN-UHFFFAOYSA-N -1 3 319.390 3.198 20 5 DGBDHM O=[N+]([O-])c1cccc(F)c1Sc1cccc(-c2nnn[n-]2)c1 ZINC001593484437 1192632639 /nfs/dbraw/zinc/63/26/39/1192632639.db2.gz ZHDLUZMAXHKMHL-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cccc(F)c1Sc1cccc(-c2nn[n-]n2)c1 ZINC001593484437 1192632644 /nfs/dbraw/zinc/63/26/44/1192632644.db2.gz ZHDLUZMAXHKMHL-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM Cc1cc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])s1 ZINC001640462151 1194814768 /nfs/dbraw/zinc/81/47/68/1194814768.db2.gz RHMRHNUJLOAIHK-RXMQYKEDSA-N -1 3 321.284 3.275 20 5 DGBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c2ccccc21 ZINC001603938388 1193039637 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O=[N+]([O-])c1ccsc1NCCc1c(F)cc([O-])cc1F ZINC001458643782 1182545819 /nfs/dbraw/zinc/54/58/19/1182545819.db2.gz IFLDRNMQWDQBEO-UHFFFAOYSA-N -1 3 300.286 3.295 20 5 DGBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC001605876039 1193181813 /nfs/dbraw/zinc/18/18/13/1193181813.db2.gz ZXZLQFNVWZIILK-UHFFFAOYSA-N -1 3 310.317 3.135 20 5 DGBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC001605876039 1193181814 /nfs/dbraw/zinc/18/18/14/1193181814.db2.gz ZXZLQFNVWZIILK-UHFFFAOYSA-N -1 3 310.317 3.135 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001466119476 1183188716 /nfs/dbraw/zinc/18/87/16/1183188716.db2.gz ZZBRATGKLAARNU-NEPJUHHUSA-N -1 3 316.288 3.182 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1ccc(C2CC2)cc1 ZINC001607084407 1193211016 /nfs/dbraw/zinc/21/10/16/1193211016.db2.gz DCCJEQUGCIIHSH-UHFFFAOYSA-N -1 3 322.328 3.396 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1ccc(C2CC2)cc1 ZINC001607084407 1193211020 /nfs/dbraw/zinc/21/10/20/1193211020.db2.gz DCCJEQUGCIIHSH-UHFFFAOYSA-N -1 3 322.328 3.396 20 5 DGBDHM Cc1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609424927 1193338104 /nfs/dbraw/zinc/33/81/04/1193338104.db2.gz OUSQLKRQKSWQEY-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM Cc1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609424927 1193338108 /nfs/dbraw/zinc/33/81/08/1193338108.db2.gz OUSQLKRQKSWQEY-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM O=C([N-]c1nocc1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC001533968615 1187864623 /nfs/dbraw/zinc/86/46/23/1187864623.db2.gz ANKUPUGRMRLBSA-UHFFFAOYSA-N -1 3 307.693 3.366 20 5 DGBDHM CCc1cccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c1[O-] ZINC001558636179 1189139189 /nfs/dbraw/zinc/13/91/89/1189139189.db2.gz VHCMRUMOJWVZLT-UHFFFAOYSA-N -1 3 316.313 3.124 20 5 DGBDHM CSCc1cc(F)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559131624 1189173962 /nfs/dbraw/zinc/17/39/62/1189173962.db2.gz DWLOPPSASBTRNY-UHFFFAOYSA-N -1 3 323.349 3.310 20 5 DGBDHM O=c1[n-]ccc(N[C@H]2CCSc3c(F)cccc32)c1[N+](=O)[O-] ZINC001639256934 1194757832 /nfs/dbraw/zinc/75/78/32/1194757832.db2.gz MUHURMLJICBBFR-JTQLQIEISA-N -1 3 321.333 3.484 20 5 DGBDHM O=c1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001640407129 1194811568 /nfs/dbraw/zinc/81/15/68/1194811568.db2.gz FBCIWVJOJGREKC-UHFFFAOYSA-N -1 3 320.736 3.233 20 5 DGBDHM O=c1[n-]ccc(S[C@@H]2CCOc3ccccc32)c1[N+](=O)[O-] ZINC001650851180 1195388421 /nfs/dbraw/zinc/38/84/21/1195388421.db2.gz CPBOWPZKHZZUKH-LLVKDONJSA-N -1 3 304.327 3.311 20 5 DGBDHM C[C@H](Cc1ccccc1Cl)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651384650 1195453424 /nfs/dbraw/zinc/45/34/24/1195453424.db2.gz NSINBWGWTQBAFV-SECBINFHSA-N -1 3 307.737 3.392 20 5 DGBDHM COc1c([O-])ccc(CN2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001657904209 1196192066 /nfs/dbraw/zinc/19/20/66/1196192066.db2.gz ACSZMCQDSCNSSO-UHFFFAOYSA-N -1 3 318.304 3.011 20 5 DGBDHM CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001603747488 974191258 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O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1nccc2occc21 ZINC001124680894 1095617906 /nfs/dbraw/zinc/61/79/06/1095617906.db2.gz IIPYAYIDXWGASC-UHFFFAOYSA-N -1 3 319.223 3.267 20 5 DGBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1F ZINC001137761970 1095735216 /nfs/dbraw/zinc/73/52/16/1095735216.db2.gz KEUAQKXDSLHHQR-UHFFFAOYSA-N -1 3 320.276 3.091 20 5 DGBDHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC001226481515 1096699930 /nfs/dbraw/zinc/69/99/30/1096699930.db2.gz GLAOZTLUCDQNCI-SNVBAGLBSA-N -1 3 317.297 3.349 20 5 DGBDHM CCc1cnc(=S)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227060464 1096856505 /nfs/dbraw/zinc/85/65/05/1096856505.db2.gz BLIBCFBGKMZPPP-SECBINFHSA-N -1 3 305.359 3.376 20 5 DGBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1F ZINC001227693104 1096970658 /nfs/dbraw/zinc/97/06/58/1096970658.db2.gz LBCPGNKMABAYAS-QMMMGPOBSA-N -1 3 302.265 3.145 20 5 DGBDHM Cc1ccc2c(c1)CC[C@H]2Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693892 1096971040 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COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cccc(F)c2F)c1 ZINC000067089406 432026698 /nfs/dbraw/zinc/02/66/98/432026698.db2.gz NOAJEYVSZZBWJQ-UHFFFAOYSA-N -1 3 308.240 3.134 20 5 DGBDHM CCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1C ZINC000487231290 245037990 /nfs/dbraw/zinc/03/79/90/245037990.db2.gz MYJVSRLJLVITOA-UHFFFAOYSA-N -1 3 324.340 3.446 20 5 DGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000339005702 253387828 /nfs/dbraw/zinc/38/78/28/253387828.db2.gz YSTBLUDMALXMHM-HNNXBMFYSA-N -1 3 312.369 3.365 20 5 DGBDHM O=C([N-]c1ncc(C2CCCCC2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000272938091 210325498 /nfs/dbraw/zinc/32/54/98/210325498.db2.gz OTMQGEGSUMBSRL-UHFFFAOYSA-N -1 3 321.362 3.074 20 5 DGBDHM COc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000340318228 253601456 /nfs/dbraw/zinc/60/14/56/253601456.db2.gz WPLTZWRTUKYNNN-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342514528 254001136 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CC(C)COc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088534 400313896 /nfs/dbraw/zinc/31/38/96/400313896.db2.gz TXJIDHHAPCZMEL-UHFFFAOYSA-N -1 3 317.345 3.342 20 5 DGBDHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596134653 400326551 /nfs/dbraw/zinc/32/65/51/400326551.db2.gz OVSBZHKMZXDLPR-QWHCGFSZSA-N -1 3 313.357 3.386 20 5 DGBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000596138201 400327446 /nfs/dbraw/zinc/32/74/46/400327446.db2.gz RJSWKINWFZXQQG-OCCSQVGLSA-N -1 3 313.357 3.325 20 5 DGBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(CC)CC ZINC000596154347 400333488 /nfs/dbraw/zinc/33/34/88/400333488.db2.gz LLXHBKJJUZGZSK-VXGBXAGGSA-N -1 3 309.366 3.091 20 5 DGBDHM CCO[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(CC)CC ZINC000596154346 400333721 /nfs/dbraw/zinc/33/37/21/400333721.db2.gz LLXHBKJJUZGZSK-RYUDHWBXSA-N -1 3 309.366 3.091 20 5 DGBDHM O=c1[n-]ccc(NC[C@H]2CC[C@H](c3ccccc3)O2)c1[N+](=O)[O-] ZINC000596234486 400356377 /nfs/dbraw/zinc/35/63/77/400356377.db2.gz KRILGHQBLUOPSO-TZMCWYRMSA-N -1 3 315.329 3.028 20 5 DGBDHM CC(C)(C)c1ccncc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596273621 400367986 /nfs/dbraw/zinc/36/79/86/400367986.db2.gz SJEPCZVRPFPGBN-UHFFFAOYSA-N -1 3 302.334 3.000 20 5 DGBDHM O=C([N-]c1ccc(F)c(F)c1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000158688716 400726385 /nfs/dbraw/zinc/72/63/85/400726385.db2.gz CHKYLOXQCLGKGT-UHFFFAOYSA-N -1 3 314.194 3.404 20 5 DGBDHM CC(C)c1ccc(CNC2([C@@H](C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000593011360 400733804 /nfs/dbraw/zinc/73/38/04/400733804.db2.gz PWSGNCUBEJRWIM-NSHDSACASA-N -1 3 306.362 3.061 20 5 DGBDHM Cc1ccc([O-])c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000054141263 400811862 /nfs/dbraw/zinc/81/18/62/400811862.db2.gz KITCBQTUPSJHQH-UHFFFAOYSA-N -1 3 311.297 3.342 20 5 DGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(C2)CCCCC3)c1 ZINC000593738376 400901424 /nfs/dbraw/zinc/90/14/24/400901424.db2.gz PSFNKNQTDPCCPH-UHFFFAOYSA-N -1 3 318.373 3.449 20 5 DGBDHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000593740960 400901876 /nfs/dbraw/zinc/90/18/76/400901876.db2.gz FZSZWIXPLBCVIX-NSHDSACASA-N -1 3 306.362 3.161 20 5 DGBDHM C[C@@H]1CC2(CCC2)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742345 400903018 /nfs/dbraw/zinc/90/30/18/400903018.db2.gz ZHKZRNPURNPJMG-LLVKDONJSA-N -1 3 304.346 3.058 20 5 DGBDHM Cc1cccc([O-])c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000183039192 164946007 /nfs/dbraw/zinc/94/60/07/164946007.db2.gz LWEPMALMQYDZGW-UHFFFAOYSA-N -1 3 300.314 3.098 20 5 DGBDHM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346653130 264073690 /nfs/dbraw/zinc/07/36/90/264073690.db2.gz ITQFPXXKYPKYKB-UHFFFAOYSA-N -1 3 312.285 3.000 20 5 DGBDHM CCC[C@H](NCc1cnc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346803172 264100056 /nfs/dbraw/zinc/10/00/56/264100056.db2.gz FEFMOIYAXURVML-HNNXBMFYSA-N -1 3 316.361 3.030 20 5 DGBDHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000352021959 264898326 /nfs/dbraw/zinc/89/83/26/264898326.db2.gz UDCVBKNPFQGTEC-KXFIGUGUSA-N -1 3 313.313 3.147 20 5 DGBDHM COc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1[O-] ZINC000352907418 265224129 /nfs/dbraw/zinc/22/41/29/265224129.db2.gz FSDJUEBCGABPML-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM CC(C)C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000263486477 279163400 /nfs/dbraw/zinc/16/34/00/279163400.db2.gz MVDILZVIYZBREF-LLVKDONJSA-N -1 3 314.769 3.085 20 5 DGBDHM COc1cc(-c2nc3cc(F)ccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000075919739 431508886 /nfs/dbraw/zinc/50/88/86/431508886.db2.gz SKRPFZLQJGTCNR-UHFFFAOYSA-N -1 3 317.276 3.002 20 5 DGBDHM Cc1cc(C)cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000028027509 431701208 /nfs/dbraw/zinc/70/12/08/431701208.db2.gz HLZBTEQLSBNYDF-UHFFFAOYSA-N -1 3 310.313 3.340 20 5 DGBDHM Cc1c(NC(=O)c2cc(-c3ccco3)[n-]n2)cccc1[N+](=O)[O-] ZINC000028276952 431703849 /nfs/dbraw/zinc/70/38/49/431703849.db2.gz JKHHHAAAQGPNPM-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM Cc1c(NC(=O)c2cc(-c3ccco3)n[n-]2)cccc1[N+](=O)[O-] ZINC000028276952 431703853 /nfs/dbraw/zinc/70/38/53/431703853.db2.gz JKHHHAAAQGPNPM-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM Cc1cccc(C)c1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000174414574 281211331 /nfs/dbraw/zinc/21/13/31/281211331.db2.gz LPRPZQLTYFCTER-UHFFFAOYSA-N -1 3 310.313 3.340 20 5 DGBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])cc1F ZINC000183274061 432276534 /nfs/dbraw/zinc/27/65/34/432276534.db2.gz DMMPGDMUIYCKSW-UHFFFAOYSA-N -1 3 304.277 3.011 20 5 DGBDHM CCc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000174881532 432376148 /nfs/dbraw/zinc/37/61/48/432376148.db2.gz FWDVHCFGZIFOBV-UHFFFAOYSA-N -1 3 304.277 3.254 20 5 DGBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc([N+](=O)[O-])cc2F)n1 ZINC000185147631 432472199 /nfs/dbraw/zinc/47/21/99/432472199.db2.gz DYSWLPQNSOVXRA-QMMMGPOBSA-N -1 3 309.322 3.391 20 5 DGBDHM CCc1onc(C)c1[N-]C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000154044163 432466490 /nfs/dbraw/zinc/46/64/90/432466490.db2.gz DHTSOLQXNQDQER-UHFFFAOYSA-N -1 3 321.358 3.428 20 5 DGBDHM CC(C)c1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263369242 432538035 /nfs/dbraw/zinc/53/80/35/432538035.db2.gz UWBANNVQRCIWLZ-GXTWGEPZSA-N -1 3 320.389 3.403 20 5 DGBDHM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2c([O-])cccc21 ZINC000186323091 432580700 /nfs/dbraw/zinc/58/07/00/432580700.db2.gz FEWFYYYTKDXEFQ-LLVKDONJSA-N -1 3 312.325 3.454 20 5 DGBDHM Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000319941033 292896699 /nfs/dbraw/zinc/89/66/99/292896699.db2.gz WGNASXZLACKFIQ-LLVKDONJSA-N -1 3 300.314 3.351 20 5 DGBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(F)ccc([O-])c1F ZINC000353359985 434076614 /nfs/dbraw/zinc/07/66/14/434076614.db2.gz DRAPYFVCHHVXSY-UHFFFAOYSA-N -1 3 322.311 3.253 20 5 DGBDHM Cc1cc(Cl)cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1[O-] ZINC000295386260 434340289 /nfs/dbraw/zinc/34/02/89/434340289.db2.gz XZCFNEMIYBSUPX-UHFFFAOYSA-N -1 3 300.742 3.128 20 5 DGBDHM C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)C(=O)[O-] ZINC000417612782 434464683 /nfs/dbraw/zinc/46/46/83/434464683.db2.gz PMBQFHDYXRUSSB-WDEREUQCSA-N -1 3 318.329 3.054 20 5 DGBDHM Cc1ccc([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466280397 435069412 /nfs/dbraw/zinc/06/94/12/435069412.db2.gz KRTVBDVOFZOTHD-UHFFFAOYSA-N -1 3 320.732 3.192 20 5 DGBDHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC000534211566 435270089 /nfs/dbraw/zinc/27/00/89/435270089.db2.gz WBXPMQXYHLZBTL-UHFFFAOYSA-N -1 3 318.304 3.356 20 5 DGBDHM CCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[O-] ZINC000485427056 435567486 /nfs/dbraw/zinc/56/74/86/435567486.db2.gz SNHWXVUWJNWXJF-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518183721 435627333 /nfs/dbraw/zinc/62/73/33/435627333.db2.gz LBKYZPWBSWTYNR-XUJVJEKNSA-N -1 3 306.362 3.007 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000518183718 435627798 /nfs/dbraw/zinc/62/77/98/435627798.db2.gz LBKYZPWBSWTYNR-HUBLWGQQSA-N -1 3 306.362 3.007 20 5 DGBDHM Cc1cc(Cl)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000179802543 312817347 /nfs/dbraw/zinc/81/73/47/312817347.db2.gz MXNZHOPPACHPGZ-UHFFFAOYSA-N -1 3 320.732 3.443 20 5 DGBDHM CCCn1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000413319830 528885588 /nfs/dbraw/zinc/88/55/88/528885588.db2.gz UPDCJZLWMBWTOM-UHFFFAOYSA-N -1 3 305.313 3.356 20 5 DGBDHM CCc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1[O-] ZINC000487558142 536133035 /nfs/dbraw/zinc/13/30/35/536133035.db2.gz IURNLEZIOPEHED-UHFFFAOYSA-N -1 3 304.277 3.254 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736244079 574738313 /nfs/dbraw/zinc/73/83/13/574738313.db2.gz DUYGMZOVJQSJHX-SCVCMEIPSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000736244079 574738314 /nfs/dbraw/zinc/73/83/14/574738314.db2.gz DUYGMZOVJQSJHX-SCVCMEIPSA-N -1 3 316.365 3.012 20 5 DGBDHM CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736398473 574747651 /nfs/dbraw/zinc/74/76/51/574747651.db2.gz AKIFQIGHZZKTCQ-GHMZBOCLSA-N -1 3 316.365 3.156 20 5 DGBDHM CC[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736398473 574747652 /nfs/dbraw/zinc/74/76/52/574747652.db2.gz AKIFQIGHZZKTCQ-GHMZBOCLSA-N -1 3 316.365 3.156 20 5 DGBDHM Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737412069 574841795 /nfs/dbraw/zinc/84/17/95/574841795.db2.gz SETIMHKUNFGVMH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737412069 574841796 /nfs/dbraw/zinc/84/17/96/574841796.db2.gz SETIMHKUNFGVMH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM O=C(Oc1cccc(Cl)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916851651 620646523 /nfs/dbraw/zinc/64/65/23/620646523.db2.gz DFBKPAHLFFTWAY-UHFFFAOYSA-N -1 3 317.688 3.344 20 5 DGBDHM O=c1[n-]ccc(NCCC[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000853715993 620728371 /nfs/dbraw/zinc/72/83/71/620728371.db2.gz KFTKUCXFSAAZCG-ZETCQYMHSA-N -1 3 306.149 3.081 20 5 DGBDHM C[C@H](N[C@H](c1ccccn1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903335332 619759578 /nfs/dbraw/zinc/75/95/78/619759578.db2.gz NYXABBBKVLYHFJ-GTNSWQLSSA-N -1 3 313.357 3.497 20 5 DGBDHM Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000789656796 625544456 /nfs/dbraw/zinc/54/44/56/625544456.db2.gz UYWKZRRHUZDMQN-UHFFFAOYSA-N -1 3 315.260 3.138 20 5 DGBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1[O-] ZINC000775934318 623354041 /nfs/dbraw/zinc/35/40/41/623354041.db2.gz VJSWUKSHVUEYRE-UHFFFAOYSA-N -1 3 307.689 3.311 20 5 DGBDHM O=c1cc(COc2cc([N+](=O)[O-])ccc2Cl)nc(C2CC2)[n-]1 ZINC000840201864 627004378 /nfs/dbraw/zinc/00/43/78/627004378.db2.gz QGWCLQFJZVEGHF-UHFFFAOYSA-N -1 3 321.720 3.200 20 5 DGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1ocnc1C1CC1 ZINC000813245504 627472045 /nfs/dbraw/zinc/47/20/45/627472045.db2.gz SYKLYDXHIWCVDU-UHFFFAOYSA-N -1 3 307.693 3.366 20 5 DGBDHM Cc1c([C@@H](C)NCc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000820944792 628317770 /nfs/dbraw/zinc/31/77/70/628317770.db2.gz MJEONNMSQGLLTF-GFCCVEGCSA-N -1 3 314.341 3.452 20 5 DGBDHM Cc1c([C@H](C)NCc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000820944795 628317906 /nfs/dbraw/zinc/31/79/06/628317906.db2.gz MJEONNMSQGLLTF-LBPRGKRZSA-N -1 3 314.341 3.452 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826499793 628852762 /nfs/dbraw/zinc/85/27/62/628852762.db2.gz XOWAUUSQDMTQBH-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826499793 628852764 /nfs/dbraw/zinc/85/27/64/628852764.db2.gz XOWAUUSQDMTQBH-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000935120480 661761714 /nfs/dbraw/zinc/76/17/14/661761714.db2.gz IWZYAPWVFLYFGB-UHFFFAOYSA-N -1 3 321.358 3.428 20 5 DGBDHM CCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001576545774 1191843553 /nfs/dbraw/zinc/84/35/53/1191843553.db2.gz MZOIZYXOQAMSCD-UHFFFAOYSA-N -1 3 318.381 3.322 20 5 DGBDHM CCC(C)(C)CCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001576545774 1191843556 /nfs/dbraw/zinc/84/35/56/1191843556.db2.gz MZOIZYXOQAMSCD-UHFFFAOYSA-N -1 3 318.381 3.322 20 5 DGBDHM Cc1ccccc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581260823 1192060060 /nfs/dbraw/zinc/06/00/60/1192060060.db2.gz FZDOWUWFBBVVJC-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581260823 1192060062 /nfs/dbraw/zinc/06/00/62/1192060062.db2.gz FZDOWUWFBBVVJC-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Sc1ccccc1F ZINC001582804439 1192109817 /nfs/dbraw/zinc/10/98/17/1192109817.db2.gz SUSKVOICKANVHS-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Sc1ccccc1F ZINC001582804439 1192109820 /nfs/dbraw/zinc/10/98/20/1192109820.db2.gz SUSKVOICKANVHS-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM CSc1cc(F)ccc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001584624072 1192209293 /nfs/dbraw/zinc/20/92/93/1192209293.db2.gz VUUBXMCAAHNNAB-UHFFFAOYSA-N -1 3 321.333 3.412 20 5 DGBDHM CC(C)c1ccc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001588090287 1192432711 /nfs/dbraw/zinc/43/27/11/1192432711.db2.gz NQFOIFOHVQXTBY-UHFFFAOYSA-N -1 3 315.329 3.095 20 5 DGBDHM CC(C)(C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589125341 1192458780 /nfs/dbraw/zinc/45/87/80/1192458780.db2.gz VBBFRXMAAYGJGF-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)(C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589125341 1192458783 /nfs/dbraw/zinc/45/87/83/1192458783.db2.gz VBBFRXMAAYGJGF-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001590239373 1192496075 /nfs/dbraw/zinc/49/60/75/1192496075.db2.gz ZPFZTKZTYJHYMO-SCVCMEIPSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001590239373 1192496079 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316.365 3.157 20 5 DGBDHM CCCC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001590564892 1192522626 /nfs/dbraw/zinc/52/26/26/1192522626.db2.gz BPJAOSFWOILIEE-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM Cc1ccc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1C ZINC001592185794 1192599915 /nfs/dbraw/zinc/59/99/15/1192599915.db2.gz CBHSSIRNLZWULF-UHFFFAOYSA-N -1 3 310.317 3.135 20 5 DGBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001593473298 1192631473 /nfs/dbraw/zinc/63/14/73/1192631473.db2.gz VMCSMVRDPREGRD-UHFFFAOYSA-N -1 3 319.371 3.129 20 5 DGBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001593473298 1192631477 /nfs/dbraw/zinc/63/14/77/1192631477.db2.gz VMCSMVRDPREGRD-UHFFFAOYSA-N -1 3 319.371 3.129 20 5 DGBDHM O=[N+]([O-])c1ccc(Nc2ccc(C3CC3)cc2)c(-c2nnn[n-]2)c1 ZINC001593482433 1192632468 /nfs/dbraw/zinc/63/24/68/1192632468.db2.gz SWOXYGSPHLDSFZ-UHFFFAOYSA-N -1 3 322.328 3.396 20 5 DGBDHM O=[N+]([O-])c1ccc(Nc2ccc(C3CC3)cc2)c(-c2nn[n-]n2)c1 ZINC001593482433 1192632470 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Cc1cccc([O-])c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001137530964 1082606869 /nfs/dbraw/zinc/60/68/69/1082606869.db2.gz NQNRVCJRJHHBSR-UHFFFAOYSA-N -1 3 320.732 3.192 20 5 DGBDHM O=c1[n-]ccc(N[C@@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001162250336 1089635097 /nfs/dbraw/zinc/63/50/97/1089635097.db2.gz BRVBYEBCJAPIQY-LLVKDONJSA-N -1 3 305.721 3.448 20 5 DGBDHM O=c1ccnc([C@H]2CC[C@H](Nc3sccc3[N+](=O)[O-])CC2)[n-]1 ZINC001164351165 1090409381 /nfs/dbraw/zinc/40/93/81/1090409381.db2.gz ODDDSDJHIIQJMB-MGCOHNPYSA-N -1 3 320.374 3.290 20 5 DGBDHM Cc1c(Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211294999 1093448076 /nfs/dbraw/zinc/44/80/76/1093448076.db2.gz HLMMNKURDMDHPT-UHFFFAOYSA-N -1 3 307.237 3.400 20 5 DGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCc2c(Cl)ccnc21 ZINC001225664315 1096498328 /nfs/dbraw/zinc/49/83/28/1096498328.db2.gz NAGHWCOSGQNMNN-LLVKDONJSA-N -1 3 321.720 3.200 20 5 DGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCc2c1cc(F)cc2F ZINC001225664536 1096499124 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C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C(=O)[O-])o1 ZINC000756285584 621624908 /nfs/dbraw/zinc/62/49/08/621624908.db2.gz JLPSWWHHXGMFFX-YRNVUSSQSA-N -1 3 316.313 3.079 20 5 DGBDHM COc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000759720089 621885849 /nfs/dbraw/zinc/88/58/49/621885849.db2.gz TUCZXZACJAJVNT-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C)ccc1[O-] ZINC000790072310 625601329 /nfs/dbraw/zinc/60/13/29/625601329.db2.gz KLSUYGCRKLPERT-KTKRTIGZSA-N -1 3 313.313 3.046 20 5 DGBDHM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])S1 ZINC000874928553 623393152 /nfs/dbraw/zinc/39/31/52/623393152.db2.gz PHVIORZAQCZQEA-UQCOIBPSSA-N -1 3 319.125 3.226 20 5 DGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nonc1C ZINC000779896717 623829381 /nfs/dbraw/zinc/82/93/81/623829381.db2.gz ZLBSLLALZGRMIP-UHFFFAOYSA-N -1 3 322.346 3.041 20 5 DGBDHM Cc1noc(C2CC2)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000783757922 624392000 /nfs/dbraw/zinc/39/20/00/624392000.db2.gz XYHXNJNVRUWPGH-UHFFFAOYSA-N -1 3 305.265 3.160 20 5 DGBDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000800052096 626799411 /nfs/dbraw/zinc/79/94/11/626799411.db2.gz GDMIBSRNCHBNIS-UHFFFAOYSA-N -1 3 324.333 3.152 20 5 DGBDHM Cc1c([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000818772706 628053690 /nfs/dbraw/zinc/05/36/90/628053690.db2.gz KPBGZEQGATUJKP-GFCCVEGCSA-N -1 3 314.341 3.452 20 5 DGBDHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000820148553 628229501 /nfs/dbraw/zinc/22/95/01/628229501.db2.gz OXFYGUCRCGSUPR-LLVKDONJSA-N -1 3 300.314 3.144 20 5 DGBDHM CC(C)(C)CC(=O)[N-]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842062984 630485314 /nfs/dbraw/zinc/48/53/14/630485314.db2.gz GIEKQHVQKDYSGE-UHFFFAOYSA-N -1 3 300.742 3.232 20 5 DGBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCc2cccc([O-])c21 ZINC000255031100 655566363 /nfs/dbraw/zinc/56/63/63/655566363.db2.gz NMVIKEAYGFBEDU-FLIBITNWSA-N -1 3 324.336 3.293 20 5 DGBDHM CCC(CC)(CC)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576718517 1191866337 /nfs/dbraw/zinc/86/63/37/1191866337.db2.gz OGMNNWWDGODZSR-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CCC(CC)(CC)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576718517 1191866340 /nfs/dbraw/zinc/86/63/40/1191866340.db2.gz OGMNNWWDGODZSR-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CC(C)CCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589597279 1192470114 /nfs/dbraw/zinc/47/01/14/1192470114.db2.gz FUKUUJINOWVOHY-UHFFFAOYSA-N -1 3 321.406 3.444 20 5 DGBDHM CC(C)CCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589597279 1192470126 /nfs/dbraw/zinc/47/01/26/1192470126.db2.gz FUKUUJINOWVOHY-UHFFFAOYSA-N -1 3 321.406 3.444 20 5 DGBDHM CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCCC1 ZINC001590134065 1192491329 /nfs/dbraw/zinc/49/13/29/1192491329.db2.gz MDUMWHKPLLOJHK-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCCC1 ZINC001590134065 1192491332 /nfs/dbraw/zinc/49/13/32/1192491332.db2.gz MDUMWHKPLLOJHK-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC001590237867 1192495546 /nfs/dbraw/zinc/49/55/46/1192495546.db2.gz CVSZYYYHGSGLIA-MXWKQRLJSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC001590237867 1192495549 /nfs/dbraw/zinc/49/55/49/1192495549.db2.gz CVSZYYYHGSGLIA-MXWKQRLJSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590250744 1192497458 /nfs/dbraw/zinc/49/74/58/1192497458.db2.gz FKDUZLUHNIXUNE-JFGNBEQYSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590250744 1192497461 /nfs/dbraw/zinc/49/74/61/1192497461.db2.gz FKDUZLUHNIXUNE-JFGNBEQYSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590250990 1192497600 /nfs/dbraw/zinc/49/76/00/1192497600.db2.gz HCAONKRFSGOPJJ-ZYHUDNBSSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590250990 1192497608 /nfs/dbraw/zinc/49/76/08/1192497608.db2.gz HCAONKRFSGOPJJ-ZYHUDNBSSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001590254857 1192499412 /nfs/dbraw/zinc/49/94/12/1192499412.db2.gz SKMVBDQUBMZSDC-FOGDFJRCSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001590254857 1192499413 /nfs/dbraw/zinc/49/94/13/1192499413.db2.gz SKMVBDQUBMZSDC-FOGDFJRCSA-N -1 3 316.365 3.012 20 5 DGBDHM Cc1cccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592230872 1192603560 /nfs/dbraw/zinc/60/35/60/1192603560.db2.gz RNVDQWFQGNBYKD-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1cccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592230872 1192603563 /nfs/dbraw/zinc/60/35/63/1192603563.db2.gz RNVDQWFQGNBYKD-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1ccc2c(c1)CCC2 ZINC001593476044 1192631521 /nfs/dbraw/zinc/63/15/21/1192631521.db2.gz UMIODZXACNCPPQ-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1ccc2c(c1)CCC2 ZINC001593476044 1192631524 /nfs/dbraw/zinc/63/15/24/1192631524.db2.gz UMIODZXACNCPPQ-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1SCC1CCCC1 ZINC001593476096 1192631994 /nfs/dbraw/zinc/63/19/94/1192631994.db2.gz VIRFDOBKPVGMHJ-UHFFFAOYSA-N -1 3 305.363 3.057 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1SCC1CCCC1 ZINC001593476096 1192631997 /nfs/dbraw/zinc/63/19/97/1192631997.db2.gz VIRFDOBKPVGMHJ-UHFFFAOYSA-N -1 3 305.363 3.057 20 5 DGBDHM CCOc1cccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c1 ZINC001334139691 1178727286 /nfs/dbraw/zinc/72/72/86/1178727286.db2.gz FHKKCTLJOOZQIY-UHFFFAOYSA-N -1 3 318.329 3.320 20 5 DGBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C(F)F ZINC001352648500 1180375124 /nfs/dbraw/zinc/37/51/24/1180375124.db2.gz QSJBFMIMSFGUJE-UHFFFAOYSA-N -1 3 311.244 3.390 20 5 DGBDHM CC(C)[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001603752887 1193029780 /nfs/dbraw/zinc/02/97/80/1193029780.db2.gz FMJZLLAJJIFGMJ-CYBMUJFWSA-N -1 3 306.362 3.161 20 5 DGBDHM CC[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604001412 1193042749 /nfs/dbraw/zinc/04/27/49/1193042749.db2.gz UDTGKHAKUSAEQA-ZJUUUORDSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604001406 1193042843 /nfs/dbraw/zinc/04/28/43/1193042843.db2.gz UDTGKHAKUSAEQA-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM CCc1ccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001441760606 1182069294 /nfs/dbraw/zinc/06/92/94/1182069294.db2.gz DKNDRJATCSPSIA-NSHDSACASA-N -1 3 314.341 3.354 20 5 DGBDHM COc1c([O-])ccc(CN2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC001462184192 1182920015 /nfs/dbraw/zinc/92/00/15/1182920015.db2.gz PTSXSVQNJUBADO-UHFFFAOYSA-N -1 3 314.341 3.180 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1SCc1ccccc1 ZINC001607081624 1193211164 /nfs/dbraw/zinc/21/11/64/1193211164.db2.gz JHQVKBDWVWBPQH-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1SCc1ccccc1 ZINC001607081624 1193211167 /nfs/dbraw/zinc/21/11/67/1193211167.db2.gz JHQVKBDWVWBPQH-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1cccc(Cl)c1 ZINC001607081179 1193211276 /nfs/dbraw/zinc/21/12/76/1193211276.db2.gz AKPTVCBPPRTYRW-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1cccc(Cl)c1 ZINC001607081179 1193211277 /nfs/dbraw/zinc/21/12/77/1193211277.db2.gz AKPTVCBPPRTYRW-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM Cc1ccccc1[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001607876616 1193264712 /nfs/dbraw/zinc/26/47/12/1193264712.db2.gz LDOQTCJVRVMHPH-BLLLJJGKSA-N -1 3 314.341 3.380 20 5 DGBDHM CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001608469731 1193289930 /nfs/dbraw/zinc/28/99/30/1193289930.db2.gz LBOYIDQWKYKQJZ-UHFFFAOYSA-N -1 3 315.329 3.290 20 5 DGBDHM O=C([O-])C1(N(Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001608577950 1193294826 /nfs/dbraw/zinc/29/48/26/1193294826.db2.gz YDCQHKUNCLBPRL-UHFFFAOYSA-N -1 3 324.764 3.220 20 5 DGBDHM CC(C)(C)C(C)(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609073861 1193323395 /nfs/dbraw/zinc/32/33/95/1193323395.db2.gz SQHFSELTBDCZEG-UHFFFAOYSA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)(C)C(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609073861 1193323397 /nfs/dbraw/zinc/32/33/97/1193323397.db2.gz SQHFSELTBDCZEG-UHFFFAOYSA-N -1 3 304.354 3.012 20 5 DGBDHM O=c1[n-]ccc(Sc2ccc3c(c2)OCCCO3)c1[N+](=O)[O-] ZINC001559047870 1189165717 /nfs/dbraw/zinc/16/57/17/1189165717.db2.gz IGCGXFBNLQRCMN-UHFFFAOYSA-N -1 3 320.326 3.008 20 5 DGBDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001638067479 1194700286 /nfs/dbraw/zinc/70/02/86/1194700286.db2.gz WEXZWAWKYNGYSK-NSHDSACASA-N -1 3 300.314 3.100 20 5 DGBDHM O=c1[n-]ccc(NCCCSc2ccccc2)c1[N+](=O)[O-] ZINC001639245381 1194757082 /nfs/dbraw/zinc/75/70/82/1194757082.db2.gz CUYXDEJULOHVFP-UHFFFAOYSA-N -1 3 305.359 3.290 20 5 DGBDHM O=c1[n-]ccc(Nc2ccc3c(cnn3C(F)F)c2)c1[N+](=O)[O-] ZINC001639669955 1194776625 /nfs/dbraw/zinc/77/66/25/1194776625.db2.gz CMJQSXQXAAEGQC-UHFFFAOYSA-N -1 3 321.243 3.184 20 5 DGBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001642563098 1194919277 /nfs/dbraw/zinc/91/92/77/1194919277.db2.gz UDMJIKJIWZSQDX-VIFPVBQESA-N -1 3 323.736 3.228 20 5 DGBDHM Cc1cc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC001643234352 1195007661 /nfs/dbraw/zinc/00/76/61/1195007661.db2.gz CLBYNPHZAHVPGW-SSDOTTSWSA-N -1 3 315.255 3.213 20 5 DGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Sc1ccccc1 ZINC001650804285 1195384587 /nfs/dbraw/zinc/38/45/87/1195384587.db2.gz YFIBSVDYZLBRFT-SNVBAGLBSA-N -1 3 305.359 3.288 20 5 DGBDHM CCCCO[C@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC001653554649 1195733276 /nfs/dbraw/zinc/73/32/76/1195733276.db2.gz GULMBIGNZRTQQZ-HOTGVXAUSA-N -1 3 322.405 3.374 20 5 DGBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001661615431 1196624466 /nfs/dbraw/zinc/62/44/66/1196624466.db2.gz GHICNZMAVFTRQI-UHFFFAOYSA-N -1 3 320.436 3.212 20 5 DGBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC001169732151 1081645420 /nfs/dbraw/zinc/64/54/20/1081645420.db2.gz IAQYMSIVNNOVDL-UHFFFAOYSA-N -1 3 313.235 3.326 20 5 DGBDHM CCOC(=O)Nc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001184855870 1084280435 /nfs/dbraw/zinc/28/04/35/1084280435.db2.gz GOJMLEGSPIZCGZ-UHFFFAOYSA-N -1 3 318.289 3.007 20 5 DGBDHM O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCc1ncccc1[O-] ZINC001158774215 1088023190 /nfs/dbraw/zinc/02/31/90/1088023190.db2.gz GOUMNQJHZXGJQO-UHFFFAOYSA-N -1 3 315.116 3.009 20 5 DGBDHM Nc1ccc(Nc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC001209936864 1092988733 /nfs/dbraw/zinc/98/87/33/1092988733.db2.gz XIXUKFHAFIQBBF-UHFFFAOYSA-N -1 3 324.134 3.389 20 5 DGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2ncccc2o1 ZINC001124331288 1095576577 /nfs/dbraw/zinc/57/65/77/1095576577.db2.gz BDSHTYKOABZHFJ-UHFFFAOYSA-N -1 3 301.233 3.127 20 5 DGBDHM C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC001226300797 1096656586 /nfs/dbraw/zinc/65/65/86/1096656586.db2.gz SSPSAAPVCBDSLL-SECBINFHSA-N -1 3 317.370 3.302 20 5 DGBDHM O=[N+]([O-])c1cccc([O-])c1O[C@H]1CCc2c1nccc2Cl ZINC001226333153 1096663641 /nfs/dbraw/zinc/66/36/41/1096663641.db2.gz HLTDMFUVSSWKHP-LBPRGKRZSA-N -1 3 306.705 3.415 20 5 DGBDHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC001226481226 1096700169 /nfs/dbraw/zinc/70/01/69/1096700169.db2.gz DESRSTGFBYGNGZ-JTQLQIEISA-N -1 3 317.297 3.349 20 5 DGBDHM C[C@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC(C)(C)C1 ZINC001227691595 1096969826 /nfs/dbraw/zinc/96/98/26/1096969826.db2.gz PVCOIMNIXUPLAG-VHSXEESVSA-N -1 3 304.350 3.460 20 5 DGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCCc4cccnc43)[n-]c2c1 ZINC001227741203 1096979224 /nfs/dbraw/zinc/97/92/24/1096979224.db2.gz IRTUACJYTTWANC-CQSZACIVSA-N -1 3 310.313 3.323 20 5 DGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCCc4cccnc43)nc2c1 ZINC001227741203 1096979229 /nfs/dbraw/zinc/97/92/29/1096979229.db2.gz IRTUACJYTTWANC-CQSZACIVSA-N -1 3 310.313 3.323 20 5 DGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cnc2ccccn21 ZINC001227741971 1096980236 /nfs/dbraw/zinc/98/02/36/1096980236.db2.gz TYCDLOCKGPIYBX-SNVBAGLBSA-N -1 3 323.312 3.259 20 5 DGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cnc2ccccn21 ZINC001227741971 1096980241 /nfs/dbraw/zinc/98/02/41/1096980241.db2.gz TYCDLOCKGPIYBX-SNVBAGLBSA-N -1 3 323.312 3.259 20 5 DGBDHM C[C@@H](COc1ccccc1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745963 1096980785 /nfs/dbraw/zinc/98/07/85/1096980785.db2.gz PILWANCFWPMMKZ-NSHDSACASA-N -1 3 313.313 3.317 20 5 DGBDHM C[C@@H](COc1ccccc1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745963 1096980790 /nfs/dbraw/zinc/98/07/90/1096980790.db2.gz PILWANCFWPMMKZ-NSHDSACASA-N -1 3 313.313 3.317 20 5 DGBDHM Cc1cc2[n-]c(O[C@H]3CCOC(C)(C)C3)nc2cc1[N+](=O)[O-] ZINC001228673267 1097163841 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C[C@@H]1CC[C@H](OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000737343977 574839860 /nfs/dbraw/zinc/83/98/60/574839860.db2.gz CKSCOBRQWYUCPG-RULNRJAQSA-N -1 3 317.345 3.453 20 5 DGBDHM C[C@@H]1CC[C@H](OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000737343977 574839861 /nfs/dbraw/zinc/83/98/61/574839861.db2.gz CKSCOBRQWYUCPG-RULNRJAQSA-N -1 3 317.345 3.453 20 5 DGBDHM CCc1csc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000729661756 575259612 /nfs/dbraw/zinc/25/96/12/575259612.db2.gz MBNOGUALBSVKTM-UHFFFAOYSA-N -1 3 313.285 3.144 20 5 DGBDHM C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)[O-] ZINC000739031286 575917697 /nfs/dbraw/zinc/91/76/97/575917697.db2.gz LOQBZXOYQARDRF-MRVPVSSYSA-N -1 3 324.720 3.071 20 5 DGBDHM CC(C)N(C)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC000853263010 620682801 /nfs/dbraw/zinc/68/28/01/620682801.db2.gz SXRXGZGFOUUBDH-UHFFFAOYSA-N -1 3 320.324 3.423 20 5 DGBDHM CSc1nsc([N-]C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000895585707 618802699 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CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820869762 628306839 /nfs/dbraw/zinc/30/68/39/628306839.db2.gz IQTCGBOAPAKZBW-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820869762 628306842 /nfs/dbraw/zinc/30/68/42/628306842.db2.gz IQTCGBOAPAKZBW-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM O=[N+]([O-])c1ccccc1Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823648299 628583227 /nfs/dbraw/zinc/58/32/27/628583227.db2.gz UDKPFYWMTHNJGB-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccccc1Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823648299 628583230 /nfs/dbraw/zinc/58/32/30/628583230.db2.gz UDKPFYWMTHNJGB-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000102195015 629986974 /nfs/dbraw/zinc/98/69/74/629986974.db2.gz KFRUFITZFYDWNB-UHFFFAOYSA-N -1 3 314.194 3.404 20 5 DGBDHM CC(C)(COC(=O)c1cc2cc(Cl)sc2[n-]1)[N+](=O)[O-] ZINC000851129623 632318378 /nfs/dbraw/zinc/31/83/78/632318378.db2.gz NBEJGCKRXLCARQ-UHFFFAOYSA-N -1 3 302.739 3.095 20 5 DGBDHM Cc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000193204759 662126193 /nfs/dbraw/zinc/12/61/93/662126193.db2.gz ASXHKFFQAJCDPA-UHFFFAOYSA-N -1 3 313.285 3.199 20 5 DGBDHM CC[C@@H](C)C[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576642091 1191857992 /nfs/dbraw/zinc/85/79/92/1191857992.db2.gz SGHUZRASNAYULT-ZJUUUORDSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@@H](C)C[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576642091 1191857995 /nfs/dbraw/zinc/85/79/95/1191857995.db2.gz SGHUZRASNAYULT-ZJUUUORDSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576642087 1191858124 /nfs/dbraw/zinc/85/81/24/1191858124.db2.gz SGHUZRASNAYULT-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576642087 1191858126 /nfs/dbraw/zinc/85/81/26/1191858126.db2.gz SGHUZRASNAYULT-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589875845 1192476101 /nfs/dbraw/zinc/47/61/01/1192476101.db2.gz JMOWXUOVCULCIQ-MRVPVSSYSA-N -1 3 322.344 3.008 20 5 DGBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589875845 1192476103 /nfs/dbraw/zinc/47/61/03/1192476103.db2.gz JMOWXUOVCULCIQ-MRVPVSSYSA-N -1 3 322.344 3.008 20 5 DGBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001589980863 1192481231 /nfs/dbraw/zinc/48/12/31/1192481231.db2.gz GAHPJAVNNQAUIN-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM CC1(C)CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590094908 1192488630 /nfs/dbraw/zinc/48/86/30/1192488630.db2.gz HGCIOHNCZARGAZ-NSHDSACASA-N -1 3 316.365 3.013 20 5 DGBDHM CC1(C)CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590094908 1192488632 /nfs/dbraw/zinc/48/86/32/1192488632.db2.gz HGCIOHNCZARGAZ-NSHDSACASA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001590238526 1192495743 /nfs/dbraw/zinc/49/57/43/1192495743.db2.gz VHJGHNBASABGEE-JFGNBEQYSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001590238526 1192495750 /nfs/dbraw/zinc/49/57/50/1192495750.db2.gz VHJGHNBASABGEE-JFGNBEQYSA-N -1 3 316.365 3.012 20 5 DGBDHM CCCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001590565518 1192523227 /nfs/dbraw/zinc/52/32/27/1192523227.db2.gz ONTVIHJSDRRPBN-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CCCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001590565518 1192523231 /nfs/dbraw/zinc/52/32/31/1192523231.db2.gz ONTVIHJSDRRPBN-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM Cc1cc(N[C@@H]2CCCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592037919 1192589451 /nfs/dbraw/zinc/58/94/51/1192589451.db2.gz WMLKCIWJNCEHJE-BXKDBHETSA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592037919 1192589453 /nfs/dbraw/zinc/58/94/53/1192589453.db2.gz WMLKCIWJNCEHJE-BXKDBHETSA-N 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1180066123 /nfs/dbraw/zinc/06/61/23/1180066123.db2.gz LEWVXMRXEDSUBS-UHFFFAOYSA-N -1 3 319.248 3.203 20 5 DGBDHM Cc1cc(Sc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001605755335 1193169926 /nfs/dbraw/zinc/16/99/26/1193169926.db2.gz QTKNDSCJFAIABK-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1cc(Sc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001605755335 1193169931 /nfs/dbraw/zinc/16/99/31/1193169931.db2.gz QTKNDSCJFAIABK-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1c(CNCc2ccc([O-])c(F)c2F)cccc1[N+](=O)[O-] ZINC001462086526 1182906120 /nfs/dbraw/zinc/90/61/20/1182906120.db2.gz LXADTHANXRXREC-UHFFFAOYSA-N -1 3 308.284 3.177 20 5 DGBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(C(C)C)on2)c1[N+](=O)[O-] ZINC001463510454 1183027754 /nfs/dbraw/zinc/02/77/54/1183027754.db2.gz FKNFXWBRMXDPLS-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001466119482 1183188595 /nfs/dbraw/zinc/18/85/95/1183188595.db2.gz ZZBRATGKLAARNU-VXGBXAGGSA-N -1 3 316.288 3.182 20 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O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1[O-] ZINC000179641157 312812684 /nfs/dbraw/zinc/81/26/84/312812684.db2.gz WEYNWUWZVDOEKR-UHFFFAOYSA-N -1 3 321.720 3.004 20 5 DGBDHM O=C(Nc1cccc2cc[nH]c21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000547820577 314398817 /nfs/dbraw/zinc/39/88/17/314398817.db2.gz VQXUNRDNSQYVTQ-UHFFFAOYSA-N -1 3 321.296 3.205 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOC[C@@H](C)CC ZINC000296710972 528614762 /nfs/dbraw/zinc/61/47/62/528614762.db2.gz LEJABXYSFHBINX-JTQLQIEISA-N -1 3 311.338 3.093 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@@H](C)CC ZINC000296710972 528614770 /nfs/dbraw/zinc/61/47/70/528614770.db2.gz LEJABXYSFHBINX-JTQLQIEISA-N -1 3 311.338 3.093 20 5 DGBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1c[n-]c(-c2ccccc2)n1 ZINC000735957682 574723227 /nfs/dbraw/zinc/72/32/27/574723227.db2.gz CZEGODMXYWUUAX-UHFFFAOYSA-N -1 3 323.308 3.342 20 5 DGBDHM CC(C)CN(CCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736433022 574750367 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CC[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820870286 628306936 /nfs/dbraw/zinc/30/69/36/628306936.db2.gz QDLBQSYSZWVXFR-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1cccc(F)c1 ZINC000823635213 628581410 /nfs/dbraw/zinc/58/14/10/628581410.db2.gz UBSXEAZAGVADJK-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1cccc(F)c1 ZINC000823635213 628581412 /nfs/dbraw/zinc/58/14/12/628581412.db2.gz UBSXEAZAGVADJK-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823634921 628581474 /nfs/dbraw/zinc/58/14/74/628581474.db2.gz OKUAIJDLNJFNHZ-UHFFFAOYSA-N -1 3 319.371 3.129 20 5 DGBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823634921 628581475 /nfs/dbraw/zinc/58/14/75/628581475.db2.gz OKUAIJDLNJFNHZ-UHFFFAOYSA-N -1 3 319.371 3.129 20 5 DGBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255947 628742966 /nfs/dbraw/zinc/74/29/66/628742966.db2.gz SKWKKOYEHOQVTR-OUCADQQQSA-N -1 3 321.377 3.024 20 5 DGBDHM CCCc1ccccc1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001577739177 1191914724 /nfs/dbraw/zinc/91/47/24/1191914724.db2.gz JDEFELLLXZLWHV-UHFFFAOYSA-N -1 3 324.344 3.471 20 5 DGBDHM CCCc1ccccc1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001577739177 1191914727 /nfs/dbraw/zinc/91/47/27/1191914727.db2.gz JDEFELLLXZLWHV-UHFFFAOYSA-N -1 3 324.344 3.471 20 5 DGBDHM CC(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589541353 1192467139 /nfs/dbraw/zinc/46/71/39/1192467139.db2.gz GOHIPAXJSCAGTK-UHFFFAOYSA-N -1 3 318.381 3.259 20 5 DGBDHM CC(C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589541353 1192467140 /nfs/dbraw/zinc/46/71/40/1192467140.db2.gz GOHIPAXJSCAGTK-UHFFFAOYSA-N -1 3 318.381 3.259 20 5 DGBDHM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC001590186614 1192492523 /nfs/dbraw/zinc/49/25/23/1192492523.db2.gz FDDDZGKIXXRVPD-NXEZZACHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC001590186614 1192492527 /nfs/dbraw/zinc/49/25/27/1192492527.db2.gz FDDDZGKIXXRVPD-NXEZZACHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@@H]1C ZINC001590254880 1192498776 /nfs/dbraw/zinc/49/87/76/1192498776.db2.gz SXQAEHAHGHVAOE-CKYFFXLPSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@@H]1C ZINC001590254880 1192498778 /nfs/dbraw/zinc/49/87/78/1192498778.db2.gz SXQAEHAHGHVAOE-CKYFFXLPSA-N -1 3 316.365 3.012 20 5 DGBDHM CC[C@H](C)CSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590410289 1192505151 /nfs/dbraw/zinc/50/51/51/1192505151.db2.gz QENVNHNJQVYIST-ZETCQYMHSA-N -1 3 311.342 3.052 20 5 DGBDHM CC[C@H]1CCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590510588 1192518344 /nfs/dbraw/zinc/51/83/44/1192518344.db2.gz YKIRNPLEKIETDB-WDEREUQCSA-N -1 3 316.365 3.013 20 5 DGBDHM CC[C@H]1CCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590510588 1192518351 /nfs/dbraw/zinc/51/83/51/1192518351.db2.gz YKIRNPLEKIETDB-WDEREUQCSA-N -1 3 316.365 3.013 20 5 DGBDHM CCCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001590566165 1192522113 /nfs/dbraw/zinc/52/21/13/1192522113.db2.gz ULMNOGZUUDNIPS-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM CCCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001590566165 1192522115 /nfs/dbraw/zinc/52/21/15/1192522115.db2.gz ULMNOGZUUDNIPS-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM Cc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001592235055 1192604421 /nfs/dbraw/zinc/60/44/21/1192604421.db2.gz GHXZTZJESPGHQW-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001592235055 1192604423 /nfs/dbraw/zinc/60/44/23/1192604423.db2.gz GHXZTZJESPGHQW-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C\Sc2cccc(-c3nnn[n-]3)c2)o1 ZINC001593476288 1192631776 /nfs/dbraw/zinc/63/17/76/1192631776.db2.gz XUXHOWUKYNOGRD-SREVYHEPSA-N 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1193079064 /nfs/dbraw/zinc/07/90/64/1193079064.db2.gz FEMJUOGXRVHOCP-UHFFFAOYSA-N -1 3 310.317 3.081 20 5 DGBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1F ZINC001446672929 1182174488 /nfs/dbraw/zinc/17/44/88/1182174488.db2.gz VAFSQDWVWNMCGL-UHFFFAOYSA-N -1 3 308.240 3.139 20 5 DGBDHM Cc1cc([N-]C(=O)c2conc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001457197853 1182450225 /nfs/dbraw/zinc/45/02/25/1182450225.db2.gz HDPPKHCNENTFSS-UHFFFAOYSA-N -1 3 315.207 3.162 20 5 DGBDHM CCCc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)no1 ZINC001460019030 1182642373 /nfs/dbraw/zinc/64/23/73/1182642373.db2.gz LGMKWSJPGLJPCB-UHFFFAOYSA-N -1 3 309.709 3.441 20 5 DGBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001463518861 1183028197 /nfs/dbraw/zinc/02/81/97/1183028197.db2.gz DMDFLNHOUIIOGT-UHFFFAOYSA-N -1 3 323.280 3.048 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2CCC3)c(-c2nnn[n-]2)c1 ZINC001607084114 1193211363 /nfs/dbraw/zinc/21/13/63/1193211363.db2.gz YPAJXUQCGJQRST-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2cccc3c2CCC3)c(-c2nn[n-]n2)c1 ZINC001607084114 1193211367 /nfs/dbraw/zinc/21/13/67/1193211367.db2.gz YPAJXUQCGJQRST-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnn[n-]2)cc1 ZINC001609600643 1193344687 /nfs/dbraw/zinc/34/46/87/1193344687.db2.gz WKUMDGITMOFXCR-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609600643 1193344690 /nfs/dbraw/zinc/34/46/90/1193344690.db2.gz WKUMDGITMOFXCR-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM CC(C)n1ncc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc21 ZINC001611964907 1193444386 /nfs/dbraw/zinc/44/43/86/1193444386.db2.gz NKBPNOKGYUWFCU-UHFFFAOYSA-N -1 3 313.317 3.370 20 5 DGBDHM O=C([N-]c1cnsn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001525599129 1187324293 /nfs/dbraw/zinc/32/42/93/1187324293.db2.gz AOEZHMJKIJKJGP-UHFFFAOYSA-N -1 3 319.129 3.005 20 5 DGBDHM Cc1coc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc12 ZINC001556270963 1188993240 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ZINC000426816923 433611009 /nfs/dbraw/zinc/61/10/09/433611009.db2.gz NCHSWWXOYUEXJY-INIZCTEOSA-N -1 3 314.341 3.073 20 5 DGBDHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1[N+](=O)[O-] ZINC000436751033 434097028 /nfs/dbraw/zinc/09/70/28/434097028.db2.gz ZGMYWVJLROZYMS-UHFFFAOYSA-N -1 3 316.313 3.178 20 5 DGBDHM CN(Cc1ccccc1[N+](=O)[O-])Cc1c(F)ccc([O-])c1F ZINC000507243191 294291386 /nfs/dbraw/zinc/29/13/86/294291386.db2.gz KLNLEDDXMUSYAZ-UHFFFAOYSA-N -1 3 308.284 3.211 20 5 DGBDHM O=[N+]([O-])c1ccc(CCNCc2cccc([O-])c2Cl)cc1 ZINC000328467102 434283659 /nfs/dbraw/zinc/28/36/59/434283659.db2.gz LUPSJODJPPVKBR-UHFFFAOYSA-N -1 3 306.749 3.286 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000521633463 294881490 /nfs/dbraw/zinc/88/14/90/294881490.db2.gz BUWLAUKZGZCMDI-SWLSCSKDSA-N -1 3 318.373 3.151 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000360170054 434537517 /nfs/dbraw/zinc/53/75/17/434537517.db2.gz LWVDPVWZTRENCB-UHFFFAOYSA-N -1 3 324.296 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1192489260 /nfs/dbraw/zinc/48/92/60/1192489260.db2.gz NUOGTHHTXUXFSA-NSHDSACASA-N -1 3 316.365 3.013 20 5 DGBDHM CC1(C)CCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590095941 1192489618 /nfs/dbraw/zinc/48/96/18/1192489618.db2.gz NUOGTHHTXUXFSA-LLVKDONJSA-N -1 3 316.365 3.013 20 5 DGBDHM CC1(C)CCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590095941 1192489620 /nfs/dbraw/zinc/48/96/20/1192489620.db2.gz NUOGTHHTXUXFSA-LLVKDONJSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590250987 1192496963 /nfs/dbraw/zinc/49/69/63/1192496963.db2.gz HCAONKRFSGOPJJ-PWSUYJOCSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590250987 1192496964 /nfs/dbraw/zinc/49/69/64/1192496964.db2.gz HCAONKRFSGOPJJ-PWSUYJOCSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590250745 1192498198 /nfs/dbraw/zinc/49/81/98/1192498198.db2.gz 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/nfs/dbraw/zinc/28/64/16/434286416.db2.gz YBXSHNGNHVMSDF-UHFFFAOYSA-N -1 3 321.289 3.497 20 5 DGBDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524592208 294979770 /nfs/dbraw/zinc/97/97/70/294979770.db2.gz HJKYSXXLCSORND-UHFFFAOYSA-N -1 3 314.407 3.090 20 5 DGBDHM O=C(Nc1ccc([O-])cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000360832842 434706297 /nfs/dbraw/zinc/70/62/97/434706297.db2.gz FVSPWZITWOKESR-UHFFFAOYSA-N -1 3 316.244 3.438 20 5 DGBDHM CCCCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000411070989 434711465 /nfs/dbraw/zinc/71/14/65/434711465.db2.gz LEMBOZPCJOTDDE-UHFFFAOYSA-N -1 3 306.347 3.041 20 5 DGBDHM CC(C)(C(=O)Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000360852032 434711807 /nfs/dbraw/zinc/71/18/07/434711807.db2.gz OWZQXOYUPKWJRR-UHFFFAOYSA-N -1 3 318.304 3.356 20 5 DGBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133233683 312663040 /nfs/dbraw/zinc/66/30/40/312663040.db2.gz RKDHTHCOIHYLMB-UHFFFAOYSA-N -1 3 324.695 3.023 20 5 DGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1Cl ZINC000575166542 316039810 /nfs/dbraw/zinc/03/98/10/316039810.db2.gz NWORVVVRWDJBSS-UHFFFAOYSA-N -1 3 306.705 3.135 20 5 DGBDHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000175668427 534481168 /nfs/dbraw/zinc/48/11/68/534481168.db2.gz IGHSAEVXNGOBLG-UHFFFAOYSA-N -1 3 324.296 3.206 20 5 DGBDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662542 574762307 /nfs/dbraw/zinc/76/23/07/574762307.db2.gz QRNSEJJQCLJDIC-BONVTDFDSA-N -1 3 318.304 3.210 20 5 DGBDHM C[C@@H]1CC[C@@H](OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000737343976 574839422 /nfs/dbraw/zinc/83/94/22/574839422.db2.gz CKSCOBRQWYUCPG-ISTVAULSSA-N -1 3 317.345 3.453 20 5 DGBDHM C[C@@H]1CC[C@@H](OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000737343976 574839423 /nfs/dbraw/zinc/83/94/23/574839423.db2.gz CKSCOBRQWYUCPG-ISTVAULSSA-N -1 3 317.345 3.453 20 5 DGBDHM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000746403629 575450786 /nfs/dbraw/zinc/45/07/86/575450786.db2.gz DCZUGIAHCSPVOZ-UHFFFAOYSA-N -1 3 315.207 3.220 20 5 DGBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752229874 575827465 /nfs/dbraw/zinc/82/74/65/575827465.db2.gz OEMGSSCILAHZIR-SECBINFHSA-N -1 3 320.798 3.024 20 5 DGBDHM CCCN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000891712014 617876786 /nfs/dbraw/zinc/87/67/86/617876786.db2.gz DPZPZWDNSCUQQR-UHFFFAOYSA-N -1 3 322.283 3.083 20 5 DGBDHM CCc1ccccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892254693 617996187 /nfs/dbraw/zinc/99/61/87/617996187.db2.gz PHKIXNQHSIKQCJ-UHFFFAOYSA-N -1 3 302.330 3.484 20 5 DGBDHM O=C([O-])CC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901552329 619518671 /nfs/dbraw/zinc/51/86/71/619518671.db2.gz BZRVEOIVPFARJC-GBXSZLQWSA-N -1 3 318.373 3.185 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000762321745 622069054 /nfs/dbraw/zinc/06/90/54/622069054.db2.gz VNBUIBQPPGYHKK-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000763217336 622131138 /nfs/dbraw/zinc/13/11/38/622131138.db2.gz SQCQZBZWOIDRBU-JTQLQIEISA-N -1 3 305.359 3.393 20 5 DGBDHM Cc1c(CN[C@@H](CC(=O)[O-])c2cccs2)cccc1[N+](=O)[O-] ZINC000871878910 622727045 /nfs/dbraw/zinc/72/70/45/622727045.db2.gz WCDVTGZZOYBDSX-LBPRGKRZSA-N -1 3 320.370 3.270 20 5 DGBDHM O=C(Nc1ccc([O-])cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000124327293 623007732 /nfs/dbraw/zinc/00/77/32/623007732.db2.gz ZSRCGNAZRIVQHS-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM O=C([N-]c1cccc2nonc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000773379055 623018706 /nfs/dbraw/zinc/01/87/06/623018706.db2.gz AIOUYIRFDOQUTM-UHFFFAOYSA-N -1 3 318.676 3.037 20 5 DGBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc2occc2[n-]1 ZINC000786031093 624779855 /nfs/dbraw/zinc/77/98/55/624779855.db2.gz LSCLBAOHJCXJCE-UHFFFAOYSA-N -1 3 304.233 3.165 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1[O-] ZINC000798541580 626225573 /nfs/dbraw/zinc/22/55/73/626225573.db2.gz NGZVIGDCUXXCSJ-UHFFFAOYSA-N -1 3 316.313 3.260 20 5 DGBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822209312 628429574 /nfs/dbraw/zinc/42/95/74/628429574.db2.gz CIDDAACHESCTHD-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822209312 628429578 /nfs/dbraw/zinc/42/95/78/628429578.db2.gz CIDDAACHESCTHD-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(Cl)ccn1 ZINC000037981824 662267368 /nfs/dbraw/zinc/26/73/68/662267368.db2.gz AYAKUXAKIREDCI-UHFFFAOYSA-N -1 3 313.647 3.174 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1SCC1CCCC1 ZINC001582803824 1192109695 /nfs/dbraw/zinc/10/96/95/1192109695.db2.gz WHVHZEJRVMNGGN-UHFFFAOYSA-N -1 3 323.353 3.196 20 5 DGBDHM CC(C)(C)CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589123824 1192458494 /nfs/dbraw/zinc/45/84/94/1192458494.db2.gz UGOVLRFKODPGRF-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CC(C)(C)CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589123824 1192458497 /nfs/dbraw/zinc/45/84/97/1192458497.db2.gz UGOVLRFKODPGRF-UHFFFAOYSA-N -1 3 318.381 3.403 20 5 DGBDHM CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589588022 1192468316 /nfs/dbraw/zinc/46/83/16/1192468316.db2.gz HIFCVFAGHLHKGV-JTQLQIEISA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589588022 1192468317 /nfs/dbraw/zinc/46/83/17/1192468317.db2.gz HIFCVFAGHLHKGV-JTQLQIEISA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589570225 1192468742 /nfs/dbraw/zinc/46/87/42/1192468742.db2.gz BTYWNXNUZUUWJG-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590252711 1192496855 /nfs/dbraw/zinc/49/68/55/1192496855.db2.gz MMUHRVKRVAWSHM-WDEREUQCSA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590252711 1192496858 /nfs/dbraw/zinc/49/68/58/1192496858.db2.gz MMUHRVKRVAWSHM-WDEREUQCSA-N -1 3 316.365 3.156 20 5 DGBDHM CCCC[C@H](CC)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590578920 1192526399 /nfs/dbraw/zinc/52/63/99/1192526399.db2.gz FMEPBGQBAXXPQS-NSHDSACASA-N -1 3 318.381 3.403 20 5 DGBDHM CCCC[C@H](CC)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590578920 1192526400 /nfs/dbraw/zinc/52/64/00/1192526400.db2.gz FMEPBGQBAXXPQS-NSHDSACASA-N -1 3 318.381 3.403 20 5 DGBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001452180803 1182284120 /nfs/dbraw/zinc/28/41/20/1182284120.db2.gz DXVAKJRXWDTYIE-UHFFFAOYSA-N -1 3 315.329 3.211 20 5 DGBDHM O=c1[n-]ccc(Oc2c(F)c(F)cc(F)c2F)c1[N+](=O)[O-] ZINC001458041612 1182490982 /nfs/dbraw/zinc/49/09/82/1182490982.db2.gz CHRJPGMJUSFOCH-UHFFFAOYSA-N -1 3 304.155 3.044 20 5 DGBDHM O=c1[n-]ccc(Sc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC001458072686 1182494675 /nfs/dbraw/zinc/49/46/75/1182494675.db2.gz RTOYXSUCPCAWIQ-UHFFFAOYSA-N -1 3 305.340 3.456 20 5 DGBDHM Cc1ccc(F)cc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605863934 1193180716 /nfs/dbraw/zinc/18/07/16/1193180716.db2.gz KIRFEHHPDYHQLM-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM Cc1ccc(F)cc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605863934 1193180718 /nfs/dbraw/zinc/18/07/18/1193180718.db2.gz KIRFEHHPDYHQLM-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001463181020 1183013261 /nfs/dbraw/zinc/01/32/61/1183013261.db2.gz YIDYFTRYULUZFM-IUCAKERBSA-N -1 3 320.436 3.068 20 5 DGBDHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474820793 1183977867 /nfs/dbraw/zinc/97/78/67/1183977867.db2.gz FQRMFHBGDFXLNV-SECBINFHSA-N -1 3 320.436 3.212 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C\Sc2ccccc2-c2nnn[n-]2)o1 ZINC001609601624 1193344514 /nfs/dbraw/zinc/34/45/14/1193344514.db2.gz QTJZOMHYLZPJED-FPLPWBNLSA-N -1 3 315.314 3.131 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C\Sc2ccccc2-c2nn[n-]n2)o1 ZINC001609601624 1193344516 /nfs/dbraw/zinc/34/45/16/1193344516.db2.gz QTJZOMHYLZPJED-FPLPWBNLSA-N -1 3 315.314 3.131 20 5 DGBDHM COc1ccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC001612070088 1193446349 /nfs/dbraw/zinc/44/63/49/1193446349.db2.gz OKCNLLWTWWBDEV-QMMMGPOBSA-N -1 3 307.281 3.016 20 5 DGBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1[O-] ZINC001556081560 1188982954 /nfs/dbraw/zinc/98/29/54/1188982954.db2.gz CHHQDEVWDZVGBV-UHFFFAOYSA-N -1 3 324.695 3.274 20 5 DGBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cc(Cl)ccc1[O-] ZINC001623563674 1193938548 /nfs/dbraw/zinc/93/85/48/1193938548.db2.gz QMAJNBVNZOEXLP-UHFFFAOYSA-N -1 3 324.695 3.274 20 5 DGBDHM Nc1c(Cl)cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC001639194873 1194754678 /nfs/dbraw/zinc/75/46/78/1194754678.db2.gz BBPAXFBNQBMWIT-UHFFFAOYSA-N -1 3 315.116 3.328 20 5 DGBDHM O=C([N-]Oc1ccc(F)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001640097634 1194796393 /nfs/dbraw/zinc/79/63/93/1194796393.db2.gz IVLPAOZFNSLJRV-UHFFFAOYSA-N -1 3 310.668 3.111 20 5 DGBDHM Cc1cc(NCc2cc(=O)[n-]c(C3CCC3)n2)c([N+](=O)[O-])s1 ZINC001643002401 1194959500 /nfs/dbraw/zinc/95/95/00/1194959500.db2.gz KZGCPXJPOSSTSE-UHFFFAOYSA-N -1 3 320.374 3.340 20 5 DGBDHM O=c1[n-]ccc(N[C@@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001643049158 1194963808 /nfs/dbraw/zinc/96/38/08/1194963808.db2.gz NMIKCIYYBNMOMM-LLVKDONJSA-N -1 3 305.721 3.448 20 5 DGBDHM CSc1cccc(F)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655465454 1195921455 /nfs/dbraw/zinc/92/14/55/1195921455.db2.gz XVORULZGJXYDOM-UHFFFAOYSA-N -1 3 309.322 3.169 20 5 DGBDHM CCC1(CC)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001658538701 1196271006 /nfs/dbraw/zinc/27/10/06/1196271006.db2.gz HXRVBYKSPSPMRP-LYRGGWFBSA-N -1 3 322.405 3.230 20 5 DGBDHM COc1c([O-])ccc(CN2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001658792160 1196301725 /nfs/dbraw/zinc/30/17/25/1196301725.db2.gz YCQFHEXEHZUPBW-UHFFFAOYSA-N -1 3 314.341 3.180 20 5 DGBDHM Cc1cccc([C@@H](NCc2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC001594397663 958786364 /nfs/dbraw/zinc/78/63/64/958786364.db2.gz LLFFYMVCVSCULF-MRXNPFEDSA-N -1 3 314.341 3.127 20 5 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O=C([N-]OCc1cccc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000728912001 575193529 /nfs/dbraw/zinc/19/35/29/575193529.db2.gz QDIMRRILZAECPH-UHFFFAOYSA-N -1 3 324.695 3.249 20 5 DGBDHM C[C@H]1CC=CC[C@@H]1COC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000746462028 575453917 /nfs/dbraw/zinc/45/39/17/575453917.db2.gz BLDULROZAPODEL-WDEREUQCSA-N -1 3 315.329 3.230 20 5 DGBDHM C[C@H]1CC=CC[C@@H]1COC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000746462028 575453919 /nfs/dbraw/zinc/45/39/19/575453919.db2.gz BLDULROZAPODEL-WDEREUQCSA-N -1 3 315.329 3.230 20 5 DGBDHM COc1cc(C)ccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892342715 618035518 /nfs/dbraw/zinc/03/55/18/618035518.db2.gz RLXJHFCQDCLDIG-UHFFFAOYSA-N -1 3 318.329 3.238 20 5 DGBDHM O=C([O-])CC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901552331 619518713 /nfs/dbraw/zinc/51/87/13/619518713.db2.gz BZRVEOIVPFARJC-HJHHMULASA-N -1 3 318.373 3.185 20 5 DGBDHM Cc1cc(=O)[n-]c(CS[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000763217338 622131132 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CC1(C)CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820589520 628275413 /nfs/dbraw/zinc/27/54/13/628275413.db2.gz HANAACHJDOZWQH-UHFFFAOYSA-N -1 3 316.365 3.156 20 5 DGBDHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822255349 628433505 /nfs/dbraw/zinc/43/35/05/628433505.db2.gz ZLDLHRCKJIYAPU-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822255349 628433508 /nfs/dbraw/zinc/43/35/08/628433508.db2.gz ZLDLHRCKJIYAPU-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000822271306 628434949 /nfs/dbraw/zinc/43/49/49/628434949.db2.gz WGDOGANZKYDQLF-UHFFFAOYSA-N -1 3 311.301 3.184 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000822271306 628434951 /nfs/dbraw/zinc/43/49/51/628434951.db2.gz WGDOGANZKYDQLF-UHFFFAOYSA-N -1 3 311.301 3.184 20 5 DGBDHM O=[N+]([O-])c1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000823647484 628583269 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C/C(=C/Cl)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588769291 1192454273 /nfs/dbraw/zinc/45/42/73/1192454273.db2.gz SFWYWUFDCZRSBU-ALCCZGGFSA-N -1 3 311.754 3.010 20 5 DGBDHM CC(C)C(C)(C)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589425163 1192464782 /nfs/dbraw/zinc/46/47/82/1192464782.db2.gz BQHSVDGUGZKFKB-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM CC(C)C(C)(C)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589425163 1192464785 /nfs/dbraw/zinc/46/47/85/1192464785.db2.gz BQHSVDGUGZKFKB-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC001590237866 1192495973 /nfs/dbraw/zinc/49/59/73/1192495973.db2.gz CVSZYYYHGSGLIA-GMTAPVOTSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC001590237866 1192495976 /nfs/dbraw/zinc/49/59/76/1192495976.db2.gz CVSZYYYHGSGLIA-GMTAPVOTSA-N -1 3 316.365 3.012 20 5 DGBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001590472549 1192512604 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DGBDHM Cc1cccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592243534 1192604209 /nfs/dbraw/zinc/60/42/09/1192604209.db2.gz CPLWYLBOSLYFFZ-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600420310 1192849924 /nfs/dbraw/zinc/84/99/24/1192849924.db2.gz VQBALOCWXSAEFO-GFCCVEGCSA-N -1 3 314.341 3.452 20 5 DGBDHM Cc1ccccc1[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001600570912 1192877199 /nfs/dbraw/zinc/87/71/99/1192877199.db2.gz WEXGCRJRSXUERP-INIZCTEOSA-N -1 3 314.341 3.127 20 5 DGBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001603937823 1193039241 /nfs/dbraw/zinc/03/92/41/1193039241.db2.gz BZGAQRZJYRNFSC-SNVBAGLBSA-N -1 3 322.328 3.030 20 5 DGBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001603937823 1193039247 /nfs/dbraw/zinc/03/92/47/1193039247.db2.gz BZGAQRZJYRNFSC-SNVBAGLBSA-N -1 3 322.328 3.030 20 5 DGBDHM Cc1cc(C)cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605647120 1193161783 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DGBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC(C)C)c1 ZINC001472723981 1183672148 /nfs/dbraw/zinc/67/21/48/1183672148.db2.gz PANQDDWYKNZNQU-UHFFFAOYSA-N -1 3 317.345 3.403 20 5 DGBDHM Cc1ccc2[nH]c3c(c2c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC3 ZINC001472825925 1183687031 /nfs/dbraw/zinc/68/70/31/1183687031.db2.gz AIXSHCNVNPBGRI-UHFFFAOYSA-N -1 3 324.340 3.048 20 5 DGBDHM Cc1ccccc1[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001607876617 1193264376 /nfs/dbraw/zinc/26/43/76/1193264376.db2.gz LDOQTCJVRVMHPH-LRDDRELGSA-N -1 3 314.341 3.380 20 5 DGBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccsc1 ZINC001609126493 1193325978 /nfs/dbraw/zinc/32/59/78/1193325978.db2.gz WDEAXMZQSIPJSP-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccsc1 ZINC001609126493 1193325982 /nfs/dbraw/zinc/32/59/82/1193325982.db2.gz WDEAXMZQSIPJSP-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(C)c1 ZINC001609423675 1193337590 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C[C@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001576152730 949257717 /nfs/dbraw/zinc/25/77/17/949257717.db2.gz KNXSJFNNQOEUOC-QWRGUYRKSA-N -1 3 316.365 3.013 20 5 DGBDHM COC(=O)c1cc(Cl)sc1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203568511 1090758011 /nfs/dbraw/zinc/75/80/11/1090758011.db2.gz BLGKNFKLFQFFPH-UHFFFAOYSA-N -1 3 313.722 3.235 20 5 DGBDHM Cc1cc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC001141281439 1092198373 /nfs/dbraw/zinc/19/83/73/1092198373.db2.gz YLGSNEKADOGJJW-UHFFFAOYSA-N -1 3 321.720 3.218 20 5 DGBDHM O=[N+]([O-])c1cc([N-]c2nnc(Br)s2)ccc1F ZINC001211189206 1093410358 /nfs/dbraw/zinc/41/03/58/1093410358.db2.gz SWWMMACDRPYDNC-UHFFFAOYSA-N -1 3 319.115 3.092 20 5 DGBDHM Cc1ccc(OC(C)C)c(COc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225667283 1096499480 /nfs/dbraw/zinc/49/94/80/1096499480.db2.gz QXRIHWDBSPHDEF-UHFFFAOYSA-N -1 3 318.329 3.370 20 5 DGBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(F)c1F ZINC001227691866 1096969770 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322.704 3.484 20 5 DGBDHM CSc1cc(C)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001276228723 1105054743 /nfs/dbraw/zinc/05/47/43/1105054743.db2.gz IKYZCMMSZKRGKW-UHFFFAOYSA-N -1 3 303.343 3.272 20 5 DGBDHM CCCCCc1nnc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001256118718 1106371288 /nfs/dbraw/zinc/37/12/88/1106371288.db2.gz JPIPMTAWGSNGLU-UHFFFAOYSA-N -1 3 319.243 3.119 20 5 DGBDHM CCCCCc1nnc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001256118718 1106371289 /nfs/dbraw/zinc/37/12/89/1106371289.db2.gz JPIPMTAWGSNGLU-UHFFFAOYSA-N -1 3 319.243 3.119 20 5 DGBDHM CCc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC001320949110 1107198757 /nfs/dbraw/zinc/19/87/57/1107198757.db2.gz LBRBZUFRLHGTCR-UHFFFAOYSA-N -1 3 312.325 3.019 20 5 DGBDHM COc1c([O-])ccc(CNc2cccc(C)c2F)c1[N+](=O)[O-] ZINC001308639935 1111454886 /nfs/dbraw/zinc/45/48/86/1111454886.db2.gz VLNFIWUWPPDGFT-UHFFFAOYSA-N -1 3 306.293 3.369 20 5 DGBDHM COc1c([O-])ccc(CNc2ncc(Cl)cc2C)c1[N+](=O)[O-] ZINC001308792369 1111475768 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Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000192658277 432397832 /nfs/dbraw/zinc/39/78/32/432397832.db2.gz BFVUNIRZCCTDNE-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)[n-]n2)o1 ZINC000192658277 432397836 /nfs/dbraw/zinc/39/78/36/432397836.db2.gz BFVUNIRZCCTDNE-UHFFFAOYSA-N -1 3 312.285 3.139 20 5 DGBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[n-]c1-c1ccsc1 ZINC000186930654 432638729 /nfs/dbraw/zinc/63/87/29/432638729.db2.gz BBVGZLHBSXECHT-UHFFFAOYSA-N -1 3 314.326 3.299 20 5 DGBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1c[n-]nc1-c1ccsc1 ZINC000186930654 432638733 /nfs/dbraw/zinc/63/87/33/432638733.db2.gz BBVGZLHBSXECHT-UHFFFAOYSA-N -1 3 314.326 3.299 20 5 DGBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000426746155 433577951 /nfs/dbraw/zinc/57/79/51/433577951.db2.gz IXEKSRLHSCEPDP-AWEZNQCLSA-N -1 3 320.732 3.164 20 5 DGBDHM C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)C(=O)[O-] ZINC000417612779 434465961 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DGBDHM O=C(CCCc1ccccc1)[N-]OCc1ccc([N+](=O)[O-])cc1 ZINC000112335170 620816460 /nfs/dbraw/zinc/81/64/60/620816460.db2.gz YHKHOCHYXHJFHL-UHFFFAOYSA-N -1 3 314.341 3.166 20 5 DGBDHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000902033430 619582578 /nfs/dbraw/zinc/58/25/78/619582578.db2.gz DUAKEEHILSZTJO-ZDUSSCGKSA-N -1 3 312.753 3.077 20 5 DGBDHM C/C(=C/C(=O)Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000752680296 621404207 /nfs/dbraw/zinc/40/42/07/621404207.db2.gz OVRBZIXEDRQIHX-NTMALXAHSA-N -1 3 316.288 3.482 20 5 DGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCc1ccccc1 ZINC000117745811 621444796 /nfs/dbraw/zinc/44/47/96/621444796.db2.gz JRSKELJCUKEQCL-UHFFFAOYSA-N -1 3 320.732 3.039 20 5 DGBDHM CCc1ncc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000800147346 626813200 /nfs/dbraw/zinc/81/32/00/626813200.db2.gz RVAIDONJEMBTIK-UHFFFAOYSA-N -1 3 309.322 3.314 20 5 DGBDHM O=C([N-]c1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000133936292 626846741 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O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C2CCC2)c1 ZINC000593734134 400900319 /nfs/dbraw/zinc/90/03/19/400900319.db2.gz UMHPBMKJMNNJGH-CQSZACIVSA-N -1 3 304.346 3.058 20 5 DGBDHM O=C(Nc1cccc(C2CCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360884113 286547912 /nfs/dbraw/zinc/54/79/12/286547912.db2.gz HRGQGUAGRWOROG-UHFFFAOYSA-N -1 3 313.313 3.215 20 5 DGBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2F)cnn1CCC(C)C ZINC000413207627 230153974 /nfs/dbraw/zinc/15/39/74/230153974.db2.gz QYXFPURVXHGPEM-UHFFFAOYSA-N -1 3 307.329 3.424 20 5 DGBDHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000348002370 264321120 /nfs/dbraw/zinc/32/11/20/264321120.db2.gz JAGBEAVROQVWAK-MRVPVSSYSA-N -1 3 307.281 3.488 20 5 DGBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(CC)cs1 ZINC000348212450 264365651 /nfs/dbraw/zinc/36/56/51/264365651.db2.gz WXLSIJLLUQVSDO-UHFFFAOYSA-N -1 3 321.358 3.265 20 5 DGBDHM Cc1oc(C2CC2)nc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355430931 266071935 /nfs/dbraw/zinc/07/19/35/266071935.db2.gz AYXFSMITMIKECF-UHFFFAOYSA-N -1 3 305.265 3.160 20 5 DGBDHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)cc([N+](=O)[O-])c1 ZINC000182920303 278634812 /nfs/dbraw/zinc/63/48/12/278634812.db2.gz XFDILIOVGVDOGM-UHFFFAOYSA-N -1 3 312.325 3.202 20 5 DGBDHM CCc1ccc([O-])c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000074827282 431439552 /nfs/dbraw/zinc/43/95/52/431439552.db2.gz BKBZDHUOKWEDRM-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM O=C(Nc1cccc([O-])c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000098066572 431976968 /nfs/dbraw/zinc/97/69/68/431976968.db2.gz LGICWPFVRWMOEQ-UHFFFAOYSA-N -1 3 313.313 3.127 20 5 DGBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Br)c2)nc1 ZINC000155608680 432564027 /nfs/dbraw/zinc/56/40/27/432564027.db2.gz GSBURWXHKJCLDO-UHFFFAOYSA-N -1 3 324.134 3.070 20 5 DGBDHM CCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)o1 ZINC000297752887 433014119 /nfs/dbraw/zinc/01/41/19/433014119.db2.gz LQLMXDVXLKNTKR-UHFFFAOYSA-N -1 3 307.281 3.153 20 5 DGBDHM Cc1cc([N-]c2c([N+](=O)[O-])c(C)nn2C)nn1C1CCCCC1 ZINC000290594989 433109304 /nfs/dbraw/zinc/10/93/04/433109304.db2.gz DIDXLCLHLYZYNN-UHFFFAOYSA-N -1 3 318.381 3.390 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(Cl)o1 ZINC000341613707 433166877 /nfs/dbraw/zinc/16/68/77/433166877.db2.gz MUZXYTQLEQRHIQ-UHFFFAOYSA-N -1 3 310.693 3.492 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1C1CC1 ZINC000298810010 433254118 /nfs/dbraw/zinc/25/41/18/433254118.db2.gz XQYVFENUZGCZNA-UHFFFAOYSA-N -1 3 317.301 3.111 20 5 DGBDHM O=C(Nc1cc(F)ccc1F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000362534138 433744953 /nfs/dbraw/zinc/74/49/53/433744953.db2.gz OVXARDFOPMJHBA-UHFFFAOYSA-N -1 3 318.239 3.002 20 5 DGBDHM Cc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1C ZINC000436574549 434018400 /nfs/dbraw/zinc/01/84/00/434018400.db2.gz GISGDMDPRBFFMN-GFCCVEGCSA-N -1 3 314.341 3.408 20 5 DGBDHM CC(C)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000436673078 434059476 /nfs/dbraw/zinc/05/94/76/434059476.db2.gz NTPBFDCOZRMMSG-UHFFFAOYSA-N -1 3 314.341 3.354 20 5 DGBDHM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1[O-] ZINC000436789315 434113748 /nfs/dbraw/zinc/11/37/48/434113748.db2.gz KKKXDYDAPNYVLE-UHFFFAOYSA-N -1 3 313.269 3.026 20 5 DGBDHM Cc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000436922985 434168875 /nfs/dbraw/zinc/16/88/75/434168875.db2.gz AKCPEJXOZFOLHY-LLVKDONJSA-N -1 3 300.314 3.100 20 5 DGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000515732367 294575542 /nfs/dbraw/zinc/57/55/42/294575542.db2.gz NICROHQOHQCROC-UHFFFAOYSA-N -1 3 324.402 3.072 20 5 DGBDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000521666116 434892872 /nfs/dbraw/zinc/89/28/72/434892872.db2.gz ICUYWDHCFCGMFR-SNVBAGLBSA-N -1 3 320.798 3.105 20 5 DGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2F)c1 ZINC000132399986 312641240 /nfs/dbraw/zinc/64/12/40/312641240.db2.gz AVSUYNAKLJHCSY-UHFFFAOYSA-N -1 3 307.306 3.103 20 5 DGBDHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000563930768 315147640 /nfs/dbraw/zinc/14/76/40/315147640.db2.gz BXSNGVWVKYXSLK-SECBINFHSA-N -1 3 304.277 3.182 20 5 DGBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000180137866 323222111 /nfs/dbraw/zinc/22/21/11/323222111.db2.gz RUAMKELFGWGKMQ-UHFFFAOYSA-N -1 3 324.387 3.199 20 5 DGBDHM Cc1noc([N-]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000181520462 323257726 /nfs/dbraw/zinc/25/77/26/323257726.db2.gz WXAJUVVDZYJMJY-UHFFFAOYSA-N -1 3 300.274 3.158 20 5 DGBDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662543 574762345 /nfs/dbraw/zinc/76/23/45/574762345.db2.gz QRNSEJJQCLJDIC-MEBBXXQBSA-N -1 3 318.304 3.210 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC000748351855 576077721 /nfs/dbraw/zinc/07/77/21/576077721.db2.gz CYXSSLKCPZOELG-UHFFFAOYSA-N -1 3 315.207 3.162 20 5 DGBDHM COc1c([O-])ccc(CNc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC000892637767 618124047 /nfs/dbraw/zinc/12/40/47/618124047.db2.gz QSWKCAJWSGNTII-UHFFFAOYSA-N -1 3 314.341 3.410 20 5 DGBDHM COCc1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1 ZINC000894056542 618701172 /nfs/dbraw/zinc/70/11/72/618701172.db2.gz KXWNMJVRBZMIHH-UHFFFAOYSA-N -1 3 318.329 3.068 20 5 DGBDHM COc1c([O-])ccc(CNCC(F)(F)C(C)(C)C)c1[N+](=O)[O-] ZINC000895461074 618787505 /nfs/dbraw/zinc/78/75/05/618787505.db2.gz CDJJOYFIOJDTIW-UHFFFAOYSA-N -1 3 318.320 3.080 20 5 DGBDHM CCSc1ccccc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000896052392 618868557 /nfs/dbraw/zinc/86/85/57/618868557.db2.gz VXWBMKFRMVXTSG-UHFFFAOYSA-N -1 3 319.386 3.462 20 5 DGBDHM Cc1cc(F)cc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC000128898761 625305252 /nfs/dbraw/zinc/30/52/52/625305252.db2.gz PNJVFZWLKASRGF-UHFFFAOYSA-N -1 3 308.240 3.139 20 5 DGBDHM O=C([N-]OCC1CC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897840662 619187363 /nfs/dbraw/zinc/18/73/63/619187363.db2.gz HUIROKWRFGEAFB-UHFFFAOYSA-N -1 3 323.107 3.112 20 5 DGBDHM Cc1sccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901937440 619564204 /nfs/dbraw/zinc/56/42/04/619564204.db2.gz CNBHUXSTWMYUJQ-OAHLLOKOSA-N -1 3 320.370 3.054 20 5 DGBDHM CC(C)(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000902524112 619648428 /nfs/dbraw/zinc/64/84/28/619648428.db2.gz PHHOXKFZMRLYDU-UHFFFAOYSA-N -1 3 306.362 3.060 20 5 DGBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCCC1 ZINC000907221564 620144162 /nfs/dbraw/zinc/14/41/62/620144162.db2.gz RRNGKTRQFMAMIW-UHFFFAOYSA-N -1 3 312.753 3.171 20 5 DGBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OCCC1CC1 ZINC000908384133 620203680 /nfs/dbraw/zinc/20/36/80/620203680.db2.gz WXRYEVSVZDZTFW-UHFFFAOYSA-N -1 3 312.753 3.029 20 5 DGBDHM O=c1[n-]ccc(SC[C@@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000872770575 622974322 /nfs/dbraw/zinc/97/43/22/622974322.db2.gz FSDKPSUWOLUMJO-LBPRGKRZSA-N -1 3 318.354 3.102 20 5 DGBDHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000782260895 624229546 /nfs/dbraw/zinc/22/95/46/624229546.db2.gz HKAGULACQRUNFE-KHPPLWFESA-N -1 3 318.354 3.316 20 5 DGBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc2occc2[n-]1 ZINC000786029539 624779942 /nfs/dbraw/zinc/77/99/42/624779942.db2.gz FIVRVXYDPGVORS-UHFFFAOYSA-N -1 3 316.269 3.035 20 5 DGBDHM O=c1[n-]ccc(N[C@H]2c3ccccc3CC[C@H]2F)c1[N+](=O)[O-] ZINC000882992433 625888758 /nfs/dbraw/zinc/88/87/58/625888758.db2.gz WBDVAIMYSMCCAD-YPMHNXCESA-N -1 3 303.293 3.133 20 5 DGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(Cl)c(F)c1 ZINC000808012770 626786916 /nfs/dbraw/zinc/78/69/16/626786916.db2.gz VLJQRUKQBHPSKE-UHFFFAOYSA-N -1 3 313.647 3.174 20 5 DGBDHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000820147772 628229529 /nfs/dbraw/zinc/22/95/29/628229529.db2.gz DRNQPTCSBGEKBJ-NSHDSACASA-N -1 3 300.314 3.144 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822271115 628435014 /nfs/dbraw/zinc/43/50/14/628435014.db2.gz MZZOMVNFXIMZPJ-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822271115 628435016 /nfs/dbraw/zinc/43/50/16/628435016.db2.gz MZZOMVNFXIMZPJ-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CO[N-]C(=O)CC(C)(C)C ZINC000842063872 630485746 /nfs/dbraw/zinc/48/57/46/630485746.db2.gz SNUNFYYLFDRZRF-UHFFFAOYSA-N -1 3 324.377 3.366 20 5 DGBDHM CC[C@@H](C)CO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000794872851 661110927 /nfs/dbraw/zinc/11/09/27/661110927.db2.gz XLMKURCFZQQCAV-MRVPVSSYSA-N -1 3 318.732 3.024 20 5 DGBDHM Cc1cc(NCC2(C)CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581017824 1192049839 /nfs/dbraw/zinc/04/98/39/1192049839.db2.gz UEJRDHFUFFUOIW-UHFFFAOYSA-N -1 3 316.365 3.076 20 5 DGBDHM Cc1cc(NCC2(C)CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581017824 1192049850 /nfs/dbraw/zinc/04/98/50/1192049850.db2.gz UEJRDHFUFFUOIW-UHFFFAOYSA-N -1 3 316.365 3.076 20 5 DGBDHM CC(C)(C)C(C)(C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589086239 1192457124 /nfs/dbraw/zinc/45/71/24/1192457124.db2.gz UIROXGMTSTUNHG-UHFFFAOYSA-N -1 3 304.354 3.012 20 5 DGBDHM CC(C)CCCSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589598211 1192469956 /nfs/dbraw/zinc/46/99/56/1192469956.db2.gz RTJWTOYNGRXIQD-UHFFFAOYSA-N -1 3 307.379 3.303 20 5 DGBDHM CC(C)CCCSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589598211 1192469958 /nfs/dbraw/zinc/46/99/58/1192469958.db2.gz RTJWTOYNGRXIQD-UHFFFAOYSA-N -1 3 307.379 3.303 20 5 DGBDHM CCC[C@@H](CC)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590555307 1192520592 /nfs/dbraw/zinc/52/05/92/1192520592.db2.gz XOUDCPXUVVAHCW-SECBINFHSA-N -1 3 307.379 3.446 20 5 DGBDHM CCC[C@@H](CC)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590555307 1192520597 /nfs/dbraw/zinc/52/05/97/1192520597.db2.gz XOUDCPXUVVAHCW-SECBINFHSA-N -1 3 307.379 3.446 20 5 DGBDHM Cc1cc(N[C@H]2CC[C@H](C)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592055089 1192590736 /nfs/dbraw/zinc/59/07/36/1192590736.db2.gz XGFMKHQUZPEIKC-HOMQSWHASA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@H]2CC[C@H](C)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592055089 1192590737 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CC1(C)CCC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603775433 1193031174 /nfs/dbraw/zinc/03/11/74/1193031174.db2.gz YAZXFWUWYLWPHL-JTQLQIEISA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603775433 1193031178 /nfs/dbraw/zinc/03/11/78/1193031178.db2.gz YAZXFWUWYLWPHL-JTQLQIEISA-N -1 3 316.365 3.156 20 5 DGBDHM CCC(C)(C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603981758 1193041434 /nfs/dbraw/zinc/04/14/34/1193041434.db2.gz KLBAXCRMQRFNTG-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CCC(C)(C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603981758 1193041436 /nfs/dbraw/zinc/04/14/36/1193041436.db2.gz KLBAXCRMQRFNTG-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM COc1ccc(F)c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001435473248 1181817993 /nfs/dbraw/zinc/81/79/93/1181817993.db2.gz GMBZIVBXFGOBHV-UHFFFAOYSA-N -1 3 308.240 3.134 20 5 DGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cscc2Cl)c1[N+](=O)[O-] ZINC001455413751 1182368632 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O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC1CCCCC1 ZINC001607084406 1193211421 /nfs/dbraw/zinc/21/14/21/1193211421.db2.gz DBNPGQUTMRXRNG-UHFFFAOYSA-N -1 3 316.365 3.157 20 5 DGBDHM O=c1[n-]ccc(Nc2ccc(OC(F)F)c(F)c2)c1[N+](=O)[O-] ZINC001611826647 1193442076 /nfs/dbraw/zinc/44/20/76/1193442076.db2.gz USKLTNRPTXMDSD-UHFFFAOYSA-N -1 3 315.207 3.180 20 5 DGBDHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1SC ZINC001612468395 1193452477 /nfs/dbraw/zinc/45/24/77/1193452477.db2.gz FZPFRMQEWRYPPF-UHFFFAOYSA-N -1 3 307.331 3.170 20 5 DGBDHM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Cl)c1[O-] ZINC001534265632 1187886426 /nfs/dbraw/zinc/88/64/26/1187886426.db2.gz MVZGXKRORKXJIX-UHFFFAOYSA-N -1 3 311.652 3.312 20 5 DGBDHM COc1c([O-])ccc(CN2CCc3cccc(F)c32)c1[N+](=O)[O-] ZINC001658028303 1196204256 /nfs/dbraw/zinc/20/42/56/1196204256.db2.gz RLWRRQSRCCRUME-UHFFFAOYSA-N -1 3 318.304 3.011 20 5 DGBDHM COc1c([O-])ccc(CNc2n[nH]c(C(C)C)c2C)c1[N+](=O)[O-] ZINC001660121731 1196448549 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Cc1noc(C)c1[N-]C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136426263 1095033111 /nfs/dbraw/zinc/03/31/11/1095033111.db2.gz RLMQKCOUAZFYKI-UHFFFAOYSA-N -1 3 313.672 3.244 20 5 DGBDHM Cc1ccc(COc2nccc([O-])c2[N+](=O)[O-])c(OC(C)C)c1 ZINC001225663216 1096498393 /nfs/dbraw/zinc/49/83/93/1096498393.db2.gz AHKLFHIEMOWBOP-UHFFFAOYSA-N -1 3 318.329 3.370 20 5 DGBDHM O=c1cc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])nc[n-]1 ZINC001226948629 1096825877 /nfs/dbraw/zinc/82/58/77/1096825877.db2.gz GRIWVNLXPXWQIE-QGZVFWFLSA-N -1 3 323.308 3.259 20 5 DGBDHM C[C@@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC(C)(C)C1 ZINC001227691593 1096969812 /nfs/dbraw/zinc/96/98/12/1096969812.db2.gz PVCOIMNIXUPLAG-NXEZZACHSA-N -1 3 304.350 3.460 20 5 DGBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccc(F)c(F)c1 ZINC001227691869 1096969845 /nfs/dbraw/zinc/96/98/45/1096969845.db2.gz RJAHLMASTJVZIY-SSDOTTSWSA-N -1 3 320.255 3.284 20 5 DGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccnc1F ZINC001227743365 1096979864 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DGBDHM Cc1onc(C2CC2)c1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000451539047 241160455 /nfs/dbraw/zinc/16/04/55/241160455.db2.gz WSDNICNDXUZDSA-UHFFFAOYSA-N -1 3 305.265 3.160 20 5 DGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc([O-])c1F ZINC000128422834 284375246 /nfs/dbraw/zinc/37/52/46/284375246.db2.gz DFVDRHUXHSPSNY-UHFFFAOYSA-N -1 3 324.695 3.274 20 5 DGBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000152881499 284645819 /nfs/dbraw/zinc/64/58/19/284645819.db2.gz CHIPRMBOYSLMOP-UHFFFAOYSA-N -1 3 301.302 3.329 20 5 DGBDHM Cc1oc(C(C)C)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000289677113 221148388 /nfs/dbraw/zinc/14/83/88/221148388.db2.gz PMEGCIPRKUDPGA-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM COc1cccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1[O-] ZINC000610664562 400286822 /nfs/dbraw/zinc/28/68/22/400286822.db2.gz CUVGZXYYBZPRBN-UHFFFAOYSA-N -1 3 316.313 3.178 20 5 DGBDHM CCN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596061724 400307834 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC000194246396 432534806 /nfs/dbraw/zinc/53/48/06/432534806.db2.gz MRQBZQUVPLPMSD-UHFFFAOYSA-N -1 3 314.341 3.351 20 5 DGBDHM CC(C)c1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263382458 432537779 /nfs/dbraw/zinc/53/77/79/432537779.db2.gz CBYWXROHVCUYMS-AWEZNQCLSA-N -1 3 306.362 3.157 20 5 DGBDHM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186298262 432579803 /nfs/dbraw/zinc/57/98/03/432579803.db2.gz YHRSAFMHPAYEHN-LLVKDONJSA-N -1 3 312.325 3.454 20 5 DGBDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000426720765 433570480 /nfs/dbraw/zinc/57/04/80/433570480.db2.gz OXWRUPZVKPKCCR-LRDDRELGSA-N -1 3 314.341 3.146 20 5 DGBDHM Cc1cc(C)cc([C@H](NCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC000426757587 433586311 /nfs/dbraw/zinc/58/63/11/433586311.db2.gz DQHFBZNYZUVJQX-INIZCTEOSA-N -1 3 314.341 3.127 20 5 DGBDHM O=c1cc(C=CC=Cc2ccccc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000352007363 433851768 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Cc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000553709173 434900820 /nfs/dbraw/zinc/90/08/20/434900820.db2.gz BEQZTBDNDBGUHX-UHFFFAOYSA-N -1 3 314.341 3.274 20 5 DGBDHM CC(C)c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000556919163 435039175 /nfs/dbraw/zinc/03/91/75/435039175.db2.gz FZPNLQLURYTJJT-CYBMUJFWSA-N -1 3 320.389 3.405 20 5 DGBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccsc1C(=O)[O-] ZINC000568664516 435457599 /nfs/dbraw/zinc/45/75/99/435457599.db2.gz PERCEPRHMJBWKJ-UHFFFAOYSA-N -1 3 320.370 3.029 20 5 DGBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])s1 ZINC000514731584 435433476 /nfs/dbraw/zinc/43/34/76/435433476.db2.gz ZGKOHKBUAMZFHZ-UHFFFAOYSA-N -1 3 320.370 3.029 20 5 DGBDHM CCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000179650050 312812782 /nfs/dbraw/zinc/81/27/82/312812782.db2.gz JNYJFAIZHWLPLM-UHFFFAOYSA-N -1 3 320.276 3.091 20 5 DGBDHM Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1F ZINC000182533879 323304089 /nfs/dbraw/zinc/30/40/89/323304089.db2.gz YGJDFTQMBMVMMA-UHFFFAOYSA-N -1 3 314.276 3.171 20 5 DGBDHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583180836 324322266 /nfs/dbraw/zinc/32/22/66/324322266.db2.gz RJBJJADVZRMVAV-NSHDSACASA-N -1 3 300.314 3.351 20 5 DGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000339203809 521293630 /nfs/dbraw/zinc/29/36/30/521293630.db2.gz LKXXCWUOGWGWJK-ZDUSSCGKSA-N -1 3 308.378 3.080 20 5 DGBDHM CCc1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)ccc1[O-] ZINC000487044617 536134616 /nfs/dbraw/zinc/13/46/16/536134616.db2.gz LTRATOBGBNVNNH-UHFFFAOYSA-N -1 3 316.313 3.124 20 5 DGBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])cc1O ZINC000734781802 574676657 /nfs/dbraw/zinc/67/66/57/574676657.db2.gz BZMDFDMZRJQHFW-UHFFFAOYSA-N -1 3 323.688 3.016 20 5 DGBDHM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000736226395 574736280 /nfs/dbraw/zinc/73/62/80/574736280.db2.gz WUINVZQPDQGLIF-UWVGGRQHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000736226395 574736281 /nfs/dbraw/zinc/73/62/81/574736281.db2.gz WUINVZQPDQGLIF-UWVGGRQHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244040 574738404 /nfs/dbraw/zinc/73/84/04/574738404.db2.gz DDRPIODZILMZTI-GIPNMCIBSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736244040 574738406 /nfs/dbraw/zinc/73/84/06/574738406.db2.gz DDRPIODZILMZTI-GIPNMCIBSA-N -1 3 316.365 3.012 20 5 DGBDHM O=C([N-]OCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000728912256 575193499 /nfs/dbraw/zinc/19/34/99/575193499.db2.gz UDNVLJPSMBMCEA-UHFFFAOYSA-N -1 3 324.695 3.249 20 5 DGBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000746057408 575429572 /nfs/dbraw/zinc/42/95/72/575429572.db2.gz IQOIGWWPYSAVCP-UHFFFAOYSA-N -1 3 307.689 3.311 20 5 DGBDHM CC(C)(C)CCS(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748674706 575600249 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)cs1 ZINC000120077728 621770486 /nfs/dbraw/zinc/77/04/86/621770486.db2.gz RAGXTYKUIHLNHP-UHFFFAOYSA-N -1 3 318.763 3.111 20 5 DGBDHM O=C([N-]c1cccc2nonc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773386548 623020631 /nfs/dbraw/zinc/02/06/31/623020631.db2.gz YUSRNDHNJLKDQF-UHFFFAOYSA-N -1 3 318.676 3.037 20 5 DGBDHM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000818053672 627990974 /nfs/dbraw/zinc/99/09/74/627990974.db2.gz SDKWYTIXQNWFCU-LLVKDONJSA-N -1 3 300.314 3.144 20 5 DGBDHM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820870288 628307030 /nfs/dbraw/zinc/30/70/30/628307030.db2.gz QDLBQSYSZWVXFR-VHSXEESVSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820870288 628307031 /nfs/dbraw/zinc/30/70/31/628307031.db2.gz QDLBQSYSZWVXFR-VHSXEESVSA-N -1 3 304.354 3.012 20 5 DGBDHM O=[N+]([O-])c1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823639543 628582246 /nfs/dbraw/zinc/58/22/46/628582246.db2.gz CYHPMKFSXHEMJW-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823639543 628582248 /nfs/dbraw/zinc/58/22/48/628582248.db2.gz CYHPMKFSXHEMJW-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823644050 628582618 /nfs/dbraw/zinc/58/26/18/628582618.db2.gz DYGNCAKQFIJJKG-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823644050 628582622 /nfs/dbraw/zinc/58/26/22/628582622.db2.gz DYGNCAKQFIJJKG-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000825286464 628746926 /nfs/dbraw/zinc/74/69/26/628746926.db2.gz FDQWCJPAUKBBMO-VXGBXAGGSA-N -1 3 321.377 3.024 20 5 DGBDHM CCc1onc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162639828 656180410 /nfs/dbraw/zinc/18/04/10/656180410.db2.gz BTNHCLNDYZDFLR-UHFFFAOYSA-N -1 3 309.709 3.359 20 5 DGBDHM CC(C)(C)C1CC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589098638 1192457563 /nfs/dbraw/zinc/45/75/63/1192457563.db2.gz CSSNVXVOHHCLPO-UHFFFAOYSA-N -1 3 316.365 3.012 20 5 DGBDHM CC(C)(C)C1CC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589098638 1192457566 /nfs/dbraw/zinc/45/75/66/1192457566.db2.gz CSSNVXVOHHCLPO-UHFFFAOYSA-N -1 3 316.365 3.012 20 5 DGBDHM CC(C)C(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001589456244 1192464538 /nfs/dbraw/zinc/46/45/38/1192464538.db2.gz DHAHYCNYPWUJNQ-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC(C)C(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001589456244 1192464540 /nfs/dbraw/zinc/46/45/40/1192464540.db2.gz DHAHYCNYPWUJNQ-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC1(C)CCC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590093849 1192487699 /nfs/dbraw/zinc/48/76/99/1192487699.db2.gz NPQZOBUMGVJGTH-LLVKDONJSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590093849 1192487702 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3.074 20 5 DGBDHM CCC[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590553770 1192521394 /nfs/dbraw/zinc/52/13/94/1192521394.db2.gz JXDLJRPXCXITKK-JTQLQIEISA-N -1 3 304.354 3.074 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC1CCCCC1 ZINC001593481752 1192632152 /nfs/dbraw/zinc/63/21/52/1192632152.db2.gz KBKKSCHPXQTTKL-UHFFFAOYSA-N -1 3 319.390 3.341 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC1CCCCC1 ZINC001593481752 1192632156 /nfs/dbraw/zinc/63/21/56/1192632156.db2.gz KBKKSCHPXQTTKL-UHFFFAOYSA-N -1 3 319.390 3.341 20 5 DGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc2c1C(=O)CCC2 ZINC001351359836 1180204190 /nfs/dbraw/zinc/20/41/90/1180204190.db2.gz VUJQOVZPGUKBIB-UHFFFAOYSA-N -1 3 318.260 3.098 20 5 DGBDHM CC(C)CC(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603259368 1193013115 /nfs/dbraw/zinc/01/31/15/1193013115.db2.gz IHRXNKJIVRBEDP-UHFFFAOYSA-N -1 3 318.381 3.259 20 5 DGBDHM CC(C)CC(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603259368 1193013117 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C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccsc1 ZINC001609127151 1193325276 /nfs/dbraw/zinc/32/52/76/1193325276.db2.gz WMZYFQJTIBZRRZ-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccsc1 ZINC001609127151 1193325279 /nfs/dbraw/zinc/32/52/79/1193325279.db2.gz WMZYFQJTIBZRRZ-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC001609602450 1193344424 /nfs/dbraw/zinc/34/44/24/1193344424.db2.gz MOWWYKRGYDIMAL-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC001609602450 1193344428 /nfs/dbraw/zinc/34/44/28/1193344428.db2.gz MOWWYKRGYDIMAL-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC001609602279 1193344561 /nfs/dbraw/zinc/34/45/61/1193344561.db2.gz HGTBGIRLPVYFQF-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC001609602279 1193344564 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Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001600420311 1192850533 /nfs/dbraw/zinc/85/05/33/1192850533.db2.gz VQBALOCWXSAEFO-LBPRGKRZSA-N -1 3 314.341 3.452 20 5 DGBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1scnc1C(F)F ZINC001351325125 1180199764 /nfs/dbraw/zinc/19/97/64/1180199764.db2.gz CIQILLPXAWXZEM-UHFFFAOYSA-N -1 3 317.248 3.380 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604001408 1193042939 /nfs/dbraw/zinc/04/29/39/1193042939.db2.gz UDTGKHAKUSAEQA-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM Cc1cccc2[nH]cc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])c21 ZINC001458164626 1182501811 /nfs/dbraw/zinc/50/18/11/1182501811.db2.gz FGRPNDCFYPIFNA-UHFFFAOYSA-N -1 3 312.329 3.140 20 5 DGBDHM Cc1cc(Sc2ccccc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605754983 1193170066 /nfs/dbraw/zinc/17/00/66/1193170066.db2.gz IWESGYGBPFIFSW-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1cc(Sc2ccccc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605754983 1193170069 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20 5 DGBDHM CCc1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC001634395991 1194492511 /nfs/dbraw/zinc/49/25/11/1194492511.db2.gz IGGROZJSIQLKNZ-LLVKDONJSA-N -1 3 314.341 3.354 20 5 DGBDHM O=c1[n-]ccc(Nc2ccc(OCC(F)F)cc2)c1[N+](=O)[O-] ZINC001655215166 1195892025 /nfs/dbraw/zinc/89/20/25/1195892025.db2.gz UFTPKYSASKJKFY-UHFFFAOYSA-N -1 3 311.244 3.083 20 5 DGBDHM COc1cc(CN[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC001658703310 1196290527 /nfs/dbraw/zinc/29/05/27/1196290527.db2.gz SOUYQZMREYOAIC-SNVBAGLBSA-N -1 3 320.320 3.299 20 5 DGBDHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC12CCC2 ZINC001594423191 999578562 /nfs/dbraw/zinc/57/85/62/999578562.db2.gz OARXBLNRBNFVIJ-LBPRGKRZSA-N -1 3 318.373 3.305 20 5 DGBDHM O=C([N-]c1ccnc(Cl)c1F)c1csc([N+](=O)[O-])c1 ZINC001129739913 1082498818 /nfs/dbraw/zinc/49/88/18/1082498818.db2.gz OUEIHZJYXUEAHN-UHFFFAOYSA-N -1 3 301.686 3.096 20 5 DGBDHM O=c1[n-]ccc(N[C@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001162250337 1089634799 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O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCCc4cccnc43)nc2c1 ZINC001227741201 1096979101 /nfs/dbraw/zinc/97/91/01/1096979101.db2.gz IRTUACJYTTWANC-AWEZNQCLSA-N -1 3 310.313 3.323 20 5 DGBDHM Cc1cc2[n-]c(O[C@H](C)COC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228672246 1097164153 /nfs/dbraw/zinc/16/41/53/1097164153.db2.gz RGVBKYVIRYACGG-SNVBAGLBSA-N -1 3 307.350 3.362 20 5 DGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC001228690256 1097168869 /nfs/dbraw/zinc/16/88/69/1097168869.db2.gz ZKXRYOOBPMLNQB-VIFPVBQESA-N -1 3 319.273 3.052 20 5 DGBDHM Cc1cccc(OC[C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c1 ZINC001228690088 1097168958 /nfs/dbraw/zinc/16/89/58/1097168958.db2.gz ZEFYGWYPAHWKGX-NSHDSACASA-N -1 3 318.329 3.159 20 5 DGBDHM O=c1cc(Nc2cc([N+](=O)[O-])ccc2F)n(C2CCCC2)[n-]1 ZINC001175735681 1098150078 /nfs/dbraw/zinc/15/00/78/1098150078.db2.gz GQYWSDXZLIHYHQ-UHFFFAOYSA-N -1 3 306.297 3.495 20 5 DGBDHM Cc1ccc2[nH]cc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])c2c1 ZINC001187880644 1099631356 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O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc([O-])c1F ZINC000129221215 432003240 /nfs/dbraw/zinc/00/32/40/432003240.db2.gz FGUZWJQFBUREHN-UHFFFAOYSA-N -1 3 322.317 3.170 20 5 DGBDHM COc1ccc([N-]C(=O)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000130426404 185966661 /nfs/dbraw/zinc/96/66/61/185966661.db2.gz VWUGVMQXXBGOCL-UHFFFAOYSA-N -1 3 308.240 3.134 20 5 DGBDHM O=C([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc([N+](=O)[O-])o1 ZINC000079692179 283885979 /nfs/dbraw/zinc/88/59/79/283885979.db2.gz JPTFXNTWGVUDMN-UHFFFAOYSA-N -1 3 313.269 3.459 20 5 DGBDHM CCc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000093920601 284015011 /nfs/dbraw/zinc/01/50/11/284015011.db2.gz VBTIVKPPAFMOPY-UHFFFAOYSA-N -1 3 312.325 3.066 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000181764299 432144338 /nfs/dbraw/zinc/14/43/38/432144338.db2.gz HYSGULHVTLCWIV-UHFFFAOYSA-N -1 3 320.732 3.443 20 5 DGBDHM O=C([N-]c1ccc(F)c(F)c1F)c1csc([N+](=O)[O-])c1 ZINC000042566816 183285076 /nfs/dbraw/zinc/28/50/76/183285076.db2.gz 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CCOc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1[N+](=O)[O-] ZINC000183080255 432256812 /nfs/dbraw/zinc/25/68/12/432256812.db2.gz QTIZORGPAWZHTG-UHFFFAOYSA-N -1 3 316.313 3.260 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC000091054662 431900920 /nfs/dbraw/zinc/90/09/20/431900920.db2.gz OFZBTOQWZUKRJL-UHFFFAOYSA-N -1 3 320.370 3.154 20 5 DGBDHM CC(C)c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186853574 432633719 /nfs/dbraw/zinc/63/37/19/432633719.db2.gz WSJKSYDXBAOAPH-UHFFFAOYSA-N -1 3 301.302 3.071 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C1CC1 ZINC000288779964 432897902 /nfs/dbraw/zinc/89/79/02/432897902.db2.gz KIPPDBVKEHLWNF-UHFFFAOYSA-N -1 3 317.301 3.111 20 5 DGBDHM O=C([N-]OCC1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000296481422 432913440 /nfs/dbraw/zinc/91/34/40/432913440.db2.gz AICAGAQRDONPBU-UHFFFAOYSA-N -1 3 319.239 3.077 20 5 DGBDHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC000339211288 433442746 /nfs/dbraw/zinc/44/27/46/433442746.db2.gz 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O=[N+]([O-])c1cccc(CCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436532453 433994609 /nfs/dbraw/zinc/99/46/09/433994609.db2.gz JVFIYMGFPNWXNE-UHFFFAOYSA-N -1 3 311.297 3.136 20 5 DGBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000518482597 294722600 /nfs/dbraw/zinc/72/26/00/294722600.db2.gz PFWKBPUUDUTFPO-LBPRGKRZSA-N -1 3 314.407 3.006 20 5 DGBDHM O=c1cc(CSCc2cccc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000419393949 434786176 /nfs/dbraw/zinc/78/61/76/434786176.db2.gz NWYKWFLYFLCKKB-UHFFFAOYSA-N -1 3 317.370 3.401 20 5 DGBDHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000532283551 435155107 /nfs/dbraw/zinc/15/51/07/435155107.db2.gz FQFAOAJVAPHEPJ-UHFFFAOYSA-N -1 3 318.304 3.356 20 5 DGBDHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000566510469 315355108 /nfs/dbraw/zinc/35/51/08/315355108.db2.gz SDDMPMSFQCANPW-NSHDSACASA-N -1 3 318.329 3.122 20 5 DGBDHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000566769976 315372034 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DGBDHM CSc1cccc(C(=O)Nc2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000777180156 623502743 /nfs/dbraw/zinc/50/27/43/623502743.db2.gz GGNCSWKGXRBJPY-UHFFFAOYSA-N -1 3 322.317 3.414 20 5 DGBDHM CCc1nc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(C)o1 ZINC000808809345 626864192 /nfs/dbraw/zinc/86/41/92/626864192.db2.gz PVYLUAOZFPLGLD-UHFFFAOYSA-N -1 3 307.281 3.153 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000818929689 628062915 /nfs/dbraw/zinc/06/29/15/628062915.db2.gz IWIFJOJBSANHBH-GFCCVEGCSA-N -1 3 314.341 3.452 20 5 DGBDHM CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820869763 628306923 /nfs/dbraw/zinc/30/69/23/628306923.db2.gz IQTCGBOAPAKZBW-VHSXEESVSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820869763 628306925 /nfs/dbraw/zinc/30/69/25/628306925.db2.gz IQTCGBOAPAKZBW-VHSXEESVSA-N -1 3 304.354 3.012 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000821104003 628336821 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Cc1cc(Oc2cccc(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581044343 1192051005 /nfs/dbraw/zinc/05/10/05/1192051005.db2.gz VIJBLPGGCADYNE-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM CC(C)(C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589119073 1192458689 /nfs/dbraw/zinc/45/86/89/1192458689.db2.gz QKLLIQMFBJAZHK-UHFFFAOYSA-N -1 3 318.381 3.402 20 5 DGBDHM CC(C)(C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589119073 1192458693 /nfs/dbraw/zinc/45/86/93/1192458693.db2.gz QKLLIQMFBJAZHK-UHFFFAOYSA-N -1 3 318.381 3.402 20 5 DGBDHM CC1(C)CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590090342 1192488042 /nfs/dbraw/zinc/48/80/42/1192488042.db2.gz JMXMDNVEBSLEKX-UHFFFAOYSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590090342 1192488043 /nfs/dbraw/zinc/48/80/43/1192488043.db2.gz JMXMDNVEBSLEKX-UHFFFAOYSA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001590238525 1192495306 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MMUHRVKRVAWSHM-QWRGUYRKSA-N -1 3 316.365 3.156 20 5 DGBDHM Cc1cc(C)cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001591951777 1192581983 /nfs/dbraw/zinc/58/19/83/1192581983.db2.gz ZVLHKNJFKQESAL-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1cc(C)cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001591951777 1192581985 /nfs/dbraw/zinc/58/19/85/1192581985.db2.gz ZVLHKNJFKQESAL-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592140726 1192595712 /nfs/dbraw/zinc/59/57/12/1192595712.db2.gz XQTZMSLDFUROTH-UHFFFAOYSA-N -1 3 311.301 3.184 20 5 DGBDHM Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592140726 1192595714 /nfs/dbraw/zinc/59/57/14/1192595714.db2.gz XQTZMSLDFUROTH-UHFFFAOYSA-N -1 3 311.301 3.184 20 5 DGBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(C)c1 ZINC001592166968 1192598102 /nfs/dbraw/zinc/59/81/02/1192598102.db2.gz RVULGYXLOTYVKT-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM 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ZINC000593737009 400901278 /nfs/dbraw/zinc/90/12/78/400901278.db2.gz FNHKQOSMLDCEGK-MRXNPFEDSA-N -1 3 306.362 3.305 20 5 DGBDHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593739026 400901968 /nfs/dbraw/zinc/90/19/68/400901968.db2.gz UFGWHWWGCYPXLA-GFCCVEGCSA-N -1 3 306.362 3.305 20 5 DGBDHM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000593742477 400902716 /nfs/dbraw/zinc/90/27/16/400902716.db2.gz MWPBLVPLHIKPKY-ZFWWWQNUSA-N -1 3 318.373 3.304 20 5 DGBDHM CCc1ccc(C)nc1NCc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000594742638 401167615 /nfs/dbraw/zinc/16/76/15/401167615.db2.gz LZLXVENEKPDZTO-UHFFFAOYSA-N -1 3 317.345 3.187 20 5 DGBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462707013 286763412 /nfs/dbraw/zinc/76/34/12/286763412.db2.gz QQIAIHODVMSHCU-PWSUYJOCSA-N -1 3 314.407 3.006 20 5 DGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1occc1Br ZINC000176547575 228314965 /nfs/dbraw/zinc/31/49/65/228314965.db2.gz FJBHIZQGGFCZAL-UHFFFAOYSA-N -1 3 311.091 3.203 20 5 DGBDHM O=C(Nc1ccc([O-])cc1F)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355321752 266037756 /nfs/dbraw/zinc/03/77/56/266037756.db2.gz XXBLOQWVOINJON-UHFFFAOYSA-N -1 3 315.260 3.173 20 5 DGBDHM O=C(c1cccc([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182839932 432235086 /nfs/dbraw/zinc/23/50/86/432235086.db2.gz RAFHBVLYUNCLAN-UHFFFAOYSA-N -1 3 312.325 3.105 20 5 DGBDHM CC1(C)CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000416098191 278288910 /nfs/dbraw/zinc/28/89/10/278288910.db2.gz HQMXXPORQPFGMG-UHFFFAOYSA-N -1 3 321.358 3.412 20 5 DGBDHM CCc1onc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000089394084 431863972 /nfs/dbraw/zinc/86/39/72/431863972.db2.gz BQDJBJAUTVLPHQ-UHFFFAOYSA-N -1 3 309.709 3.359 20 5 DGBDHM COc1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000124525236 431896712 /nfs/dbraw/zinc/89/67/12/431896712.db2.gz GQMJHLSKCYLEIU-UHFFFAOYSA-N -1 3 314.269 3.195 20 5 DGBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000191783801 432301634 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O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(F)c(F)cc1F ZINC000437250101 434237430 /nfs/dbraw/zinc/23/74/30/434237430.db2.gz WJQUYLJTGQUPDE-UHFFFAOYSA-N -1 3 314.194 3.404 20 5 DGBDHM C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)C(=O)[O-] ZINC000417612781 434464149 /nfs/dbraw/zinc/46/41/49/434464149.db2.gz PMBQFHDYXRUSSB-QWRGUYRKSA-N -1 3 318.329 3.054 20 5 DGBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462321801 434908027 /nfs/dbraw/zinc/90/80/27/434908027.db2.gz WSPJHMYDDBUPBP-UHFFFAOYSA-N -1 3 314.407 3.150 20 5 DGBDHM O=C(CNc1ccccc1[N+](=O)[O-])Nc1c([O-])cccc1Cl ZINC000574122519 434951725 /nfs/dbraw/zinc/95/17/25/434951725.db2.gz XAWJDMHNQVYFAS-UHFFFAOYSA-N -1 3 321.720 3.004 20 5 DGBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000492284547 434952063 /nfs/dbraw/zinc/95/20/63/434952063.db2.gz VVOHQWFKVNHTJY-VURMDHGXSA-N -1 3 302.261 3.091 20 5 DGBDHM CC(C)Sc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547759898 314392830 /nfs/dbraw/zinc/39/28/30/314392830.db2.gz MEJNTTJMNKWMOD-UHFFFAOYSA-N -1 3 306.347 3.071 20 5 DGBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)(C)C)co2)c1 ZINC000563363313 315106680 /nfs/dbraw/zinc/10/66/80/315106680.db2.gz LJKSKSPCIZNXAE-UHFFFAOYSA-N -1 3 319.317 3.141 20 5 DGBDHM CCc1cc(=O)[n-]c(CSCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000183278018 323332304 /nfs/dbraw/zinc/33/23/04/323332304.db2.gz HNQOXGHRCFICQR-UHFFFAOYSA-N -1 3 319.386 3.129 20 5 DGBDHM Cc1c(CN2CCCC[C@H]2CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000315051612 533844621 /nfs/dbraw/zinc/84/46/21/533844621.db2.gz MHBHJMHRXJNHKR-AWEZNQCLSA-N -1 3 306.362 3.123 20 5 DGBDHM O=C(Nc1ccc(C2CCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427985444 534823990 /nfs/dbraw/zinc/82/39/90/534823990.db2.gz QTQZAIQJVHQNQA-UHFFFAOYSA-N -1 3 313.313 3.215 20 5 DGBDHM CCCc1nc(C)c(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000294714448 528714447 /nfs/dbraw/zinc/71/44/47/528714447.db2.gz WRPNGPNOLDGENI-UHFFFAOYSA-N -1 3 319.317 3.105 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244038 574738530 /nfs/dbraw/zinc/73/85/30/574738530.db2.gz DDRPIODZILMZTI-BREBYQMCSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736244038 574738532 /nfs/dbraw/zinc/73/85/32/574738532.db2.gz DDRPIODZILMZTI-BREBYQMCSA-N -1 3 316.365 3.012 20 5 DGBDHM COCc1ccccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892335809 618032342 /nfs/dbraw/zinc/03/23/42/618032342.db2.gz WUPTWSJFUHHKLC-UHFFFAOYSA-N -1 3 318.329 3.068 20 5 DGBDHM COc1cc(CNc2ccc(C(C)C)nc2)c([N+](=O)[O-])cc1[O-] ZINC000905432330 619999096 /nfs/dbraw/zinc/99/90/96/619999096.db2.gz FRVPXNRGIWDNKU-UHFFFAOYSA-N -1 3 317.345 3.440 20 5 DGBDHM COc1ccc([O-])c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000759303744 621843743 /nfs/dbraw/zinc/84/37/43/621843743.db2.gz LZWBUGVDMKPDBY-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM Cc1cc(=O)[n-]c(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000763209344 622130503 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O=[N+]([O-])c1cc(F)ccc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823634917 628581812 /nfs/dbraw/zinc/58/18/12/628581812.db2.gz OFLQALYZUUNUEE-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1cc(F)ccc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823634917 628581813 /nfs/dbraw/zinc/58/18/13/628581813.db2.gz OFLQALYZUUNUEE-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM C[C@H](Nc1sccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824671445 628682334 /nfs/dbraw/zinc/68/23/34/628682334.db2.gz ZGMTYJXUWVEFLC-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H](Nc1sccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824671445 628682336 /nfs/dbraw/zinc/68/23/36/628682336.db2.gz ZGMTYJXUWVEFLC-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000825286455 628746842 /nfs/dbraw/zinc/74/68/42/628746842.db2.gz FDQWCJPAUKBBMO-NEPJUHHUSA-N -1 3 321.377 3.024 20 5 DGBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000826627342 628865343 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Cc1ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC001212844286 1104272518 /nfs/dbraw/zinc/27/25/18/1104272518.db2.gz MSEVKXBNXCETAB-UHFFFAOYSA-N -1 3 312.285 3.029 20 5 DGBDHM O=c1[n-]ccc(Sc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC001458081910 1105049012 /nfs/dbraw/zinc/04/90/12/1105049012.db2.gz AAHJPKJMRFMGOM-UHFFFAOYSA-N -1 3 317.248 3.260 20 5 DGBDHM CC(C)(C)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC001323165265 1107857176 /nfs/dbraw/zinc/85/71/76/1107857176.db2.gz VIPYWZIBIOGTHJ-UHFFFAOYSA-N -1 3 307.281 3.272 20 5 DGBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000103100021 432002802 /nfs/dbraw/zinc/00/28/02/432002802.db2.gz PREHBIMZLARVBL-UHFFFAOYSA-N -1 3 314.276 3.171 20 5 DGBDHM COc1ccc([N-]C(=O)c2nc(C(C)C)oc2C)c([N+](=O)[O-])c1 ZINC000286802839 219174430 /nfs/dbraw/zinc/17/44/30/219174430.db2.gz OSNQTPNWDCHCAC-UHFFFAOYSA-N -1 3 319.317 3.276 20 5 DGBDHM CCCCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000006259234 181323647 /nfs/dbraw/zinc/32/36/47/181323647.db2.gz MJNLKIDWBQZVMI-UHFFFAOYSA-N -1 3 320.374 3.431 20 5 DGBDHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000109814796 284070154 /nfs/dbraw/zinc/07/01/54/284070154.db2.gz HCSGORMNOTXWQL-NSHDSACASA-N -1 3 314.341 3.354 20 5 DGBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2Cl)c1 ZINC000338442014 253288904 /nfs/dbraw/zinc/28/89/04/253288904.db2.gz BQMSADYEZJIEHG-UHFFFAOYSA-N -1 3 321.720 3.294 20 5 DGBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc([O-])cc1F ZINC000255578043 285166365 /nfs/dbraw/zinc/16/63/65/285166365.db2.gz WYRFDBBDJLDCJR-DAXSKMNVSA-N -1 3 302.261 3.091 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342514533 254000836 /nfs/dbraw/zinc/00/08/36/254000836.db2.gz ZTNWQLILRPVPAR-RKDXNWHRSA-N -1 3 320.436 3.068 20 5 DGBDHM O=c1[n-]ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596122217 400323003 /nfs/dbraw/zinc/32/30/03/400323003.db2.gz MCCUTNRHYWHXJE-LLVKDONJSA-N -1 3 319.748 3.343 20 5 DGBDHM O=C(Nc1ccc2c(c1)CCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000028062957 400286373 /nfs/dbraw/zinc/28/63/73/400286373.db2.gz SDDLUBHPFGDWBF-UHFFFAOYSA-N -1 3 322.324 3.212 20 5 DGBDHM CCCCOc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596081635 400311837 /nfs/dbraw/zinc/31/18/37/400311837.db2.gz XZGWPUSGVGKSNZ-UHFFFAOYSA-N -1 3 317.345 3.486 20 5 DGBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133846 400326540 /nfs/dbraw/zinc/32/65/40/400326540.db2.gz GGFKRDSUSUFGHG-PWSUYJOCSA-N -1 3 317.320 3.217 20 5 DGBDHM O=c1[n-]ccc(NC[C@@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000596150746 400331708 /nfs/dbraw/zinc/33/17/08/400331708.db2.gz FTHDVZDXLGIJHQ-ZDUSSCGKSA-N -1 3 317.370 3.138 20 5 DGBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596154925 400333591 /nfs/dbraw/zinc/33/35/91/400333591.db2.gz OSRBDRISPXYKTE-BDAKNGLRSA-N -1 3 319.283 3.476 20 5 DGBDHM Cc1c(CC(=O)Nc2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000611101761 400346465 /nfs/dbraw/zinc/34/64/65/400346465.db2.gz HMYAHXWYRHURHW-UHFFFAOYSA-N -1 3 320.732 3.443 20 5 DGBDHM O=c1[n-]ccc(NC[C@H]2CCCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596238319 400357821 /nfs/dbraw/zinc/35/78/21/400357821.db2.gz PQTAAKPAGIJUJM-VIFPVBQESA-N -1 3 301.293 3.323 20 5 DGBDHM O=c1[n-]ccc(N[C@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000596256104 400362701 /nfs/dbraw/zinc/36/27/01/400362701.db2.gz ZIPLKKGOIDJAAZ-LBPRGKRZSA-N -1 3 303.293 3.324 20 5 DGBDHM O=C([O-])CCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000596653357 400473411 /nfs/dbraw/zinc/47/34/11/400473411.db2.gz KVSXKHBZCSASHP-HYXAFXHYSA-N -1 3 318.373 3.185 20 5 DGBDHM CC(=O)c1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000078020187 400761612 /nfs/dbraw/zinc/76/16/12/400761612.db2.gz GLQPFVLFFIWTLJ-UHFFFAOYSA-N -1 3 304.277 3.254 20 5 DGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C2CCC2)c1 ZINC000593734133 400900465 /nfs/dbraw/zinc/90/04/65/400900465.db2.gz UMHPBMKJMNNJGH-AWEZNQCLSA-N -1 3 304.346 3.058 20 5 DGBDHM CC(C)[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737114 400902177 /nfs/dbraw/zinc/90/21/77/400902177.db2.gz IDDHBUGSGBGRRT-CQSZACIVSA-N -1 3 306.362 3.304 20 5 DGBDHM COc1nc(C(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)co1 ZINC000599917514 401161132 /nfs/dbraw/zinc/16/11/32/401161132.db2.gz RHSOABLQRZUJEJ-UHFFFAOYSA-N -1 3 319.317 3.141 20 5 DGBDHM Cc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000362827711 286866812 /nfs/dbraw/zinc/86/68/12/286866812.db2.gz UUJBUTLYAOOCJW-UHFFFAOYSA-N -1 3 317.251 3.085 20 5 DGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(C3CC3)cs2)c1[N+](=O)[O-] ZINC000269486616 432177699 /nfs/dbraw/zinc/17/76/99/432177699.db2.gz WVULUIQKJVPQOF-UHFFFAOYSA-N -1 3 321.362 3.028 20 5 DGBDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000180742528 263576568 /nfs/dbraw/zinc/57/65/68/263576568.db2.gz GDYSHUGOWOHPBT-UHFFFAOYSA-N -1 3 324.333 3.152 20 5 DGBDHM O=[N+]([O-])c1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117113352 431546238 /nfs/dbraw/zinc/54/62/38/431546238.db2.gz KXHGPGIKDSWEEV-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM CCCCc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000014660570 431592580 /nfs/dbraw/zinc/59/25/80/431592580.db2.gz AKHCGURJCWVJOQ-UHFFFAOYSA-N -1 3 320.374 3.350 20 5 DGBDHM CCc1cc(=O)[n-]c(CSCc2ccccc2[N+](=O)[O-])n1 ZINC000125634706 431931489 /nfs/dbraw/zinc/93/14/89/431931489.db2.gz LYWGSYZZMRMHSQ-UHFFFAOYSA-N -1 3 305.359 3.086 20 5 DGBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1-c1ccccc1 ZINC000192501343 432381947 /nfs/dbraw/zinc/38/19/47/432381947.db2.gz VIRRIHIMRAOUET-UHFFFAOYSA-N -1 3 301.331 3.289 20 5 DGBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262103590 432473363 /nfs/dbraw/zinc/47/33/63/432473363.db2.gz JCCCUHVBQLDRFN-CHWSQXEVSA-N -1 3 306.362 3.233 20 5 DGBDHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000186625293 432615073 /nfs/dbraw/zinc/61/50/73/432615073.db2.gz HUSAMFXGFRYHHP-UHFFFAOYSA-N -1 3 320.370 3.154 20 5 DGBDHM Cc1cc(Cl)cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1[O-] ZINC000162964742 432838918 /nfs/dbraw/zinc/83/89/18/432838918.db2.gz RWBSYTKDDAVYSV-UHFFFAOYSA-N -1 3 321.720 3.097 20 5 DGBDHM Cc1cc([N-]c2c([N+](=O)[O-])ncn2C)nn1C1CCCCC1 ZINC000290578409 433105346 /nfs/dbraw/zinc/10/53/46/433105346.db2.gz BTCKNYHHGNQBBV-UHFFFAOYSA-N -1 3 304.354 3.082 20 5 DGBDHM Cc1sc2[n-]c(-c3ccc([N+](=O)[O-])s3)nc(=O)c2c1C ZINC000165038575 292877970 /nfs/dbraw/zinc/87/79/70/292877970.db2.gz LBEFQNAABRKANY-UHFFFAOYSA-N -1 3 307.356 3.238 20 5 DGBDHM CC(C)c1ncsc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456431927 433664374 /nfs/dbraw/zinc/66/43/74/433664374.db2.gz DBKUYGNOHKCHCQ-UHFFFAOYSA-N -1 3 323.378 3.274 20 5 DGBDHM CN(CCCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414638640 433761130 /nfs/dbraw/zinc/76/11/30/433761130.db2.gz OJIOXIBYLMSPHJ-UHFFFAOYSA-N -1 3 318.329 3.151 20 5 DGBDHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000352021970 433869528 /nfs/dbraw/zinc/86/95/28/433869528.db2.gz UDCVBKNPFQGTEC-QHHAFSJGSA-N -1 3 313.313 3.147 20 5 DGBDHM CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000436801549 434111356 /nfs/dbraw/zinc/11/13/56/434111356.db2.gz CPGMOOVCCBEZKM-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM CC(C)c1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436865166 434142974 /nfs/dbraw/zinc/14/29/74/434142974.db2.gz RMDWIFVNKVTLRX-UHFFFAOYSA-N -1 3 314.341 3.354 20 5 DGBDHM CCCc1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000358211027 434386673 /nfs/dbraw/zinc/38/66/73/434386673.db2.gz KBTXPHMTVUJNLG-UHFFFAOYSA-N -1 3 309.322 3.395 20 5 DGBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000533987334 435264614 /nfs/dbraw/zinc/26/46/14/435264614.db2.gz YAJULOOPYQMERY-UHFFFAOYSA-N -1 3 317.345 3.189 20 5 DGBDHM CCCC(C)(C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481009804 435403767 /nfs/dbraw/zinc/40/37/67/435403767.db2.gz GVEPGCLVKXLBOY-UHFFFAOYSA-N -1 3 314.407 3.069 20 5 DGBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1[O-] ZINC000552069326 435879511 /nfs/dbraw/zinc/87/95/11/435879511.db2.gz ODDKZAURWCQQLL-UHFFFAOYSA-N -1 3 314.297 3.064 20 5 DGBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000544640906 314204628 /nfs/dbraw/zinc/20/46/28/314204628.db2.gz MYXDPHTXYUSHEZ-UHFFFAOYSA-N -1 3 324.333 3.152 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000577471769 316239131 /nfs/dbraw/zinc/23/91/31/316239131.db2.gz VAZDVERPRANMTI-CHWSQXEVSA-N -1 3 306.362 3.151 20 5 DGBDHM Cc1noc([N-]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000181521877 323257563 /nfs/dbraw/zinc/25/75/63/323257563.db2.gz FVZQZPIQQMBVAY-UHFFFAOYSA-N -1 3 300.274 3.158 20 5 DGBDHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183758369 323347135 /nfs/dbraw/zinc/34/71/35/323347135.db2.gz OHFIDAXIPVHTQT-SNVBAGLBSA-N -1 3 318.304 3.490 20 5 DGBDHM CC[C@@](NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736920564 574811236 /nfs/dbraw/zinc/81/12/36/574811236.db2.gz PGCWAXIILXZGQK-KRWDZBQOSA-N -1 3 314.341 3.075 20 5 DGBDHM O=C([N-]OCc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000728911944 575193605 /nfs/dbraw/zinc/19/36/05/575193605.db2.gz NNPBXQGXHXJDJB-UHFFFAOYSA-N -1 3 324.695 3.249 20 5 DGBDHM Cc1cccc(C(=O)[N-]c2cc(C(F)(F)F)no2)c1[N+](=O)[O-] ZINC000747986150 575554900 /nfs/dbraw/zinc/55/49/00/575554900.db2.gz NBTNYBLZEXPJGH-UHFFFAOYSA-N -1 3 315.207 3.162 20 5 DGBDHM COc1ccc(Oc2nc3ccccc3c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000750530892 575736655 /nfs/dbraw/zinc/73/66/55/575736655.db2.gz RPFHJOWKWANZBP-UHFFFAOYSA-N -1 3 313.269 3.045 20 5 DGBDHM C[C@@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000853669943 620723038 /nfs/dbraw/zinc/72/30/38/620723038.db2.gz XODISGGMFLXYCE-SNVBAGLBSA-N -1 3 306.149 3.081 20 5 DGBDHM C[C@H](c1ccccc1)[C@@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000895726264 618823965 /nfs/dbraw/zinc/82/39/65/618823965.db2.gz VKOBXMRYFKOKBO-OCCSQVGLSA-N -1 3 313.357 3.468 20 5 DGBDHM CCc1onc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816956449 627842566 /nfs/dbraw/zinc/84/25/66/627842566.db2.gz LNGBCGQABZWNKY-UHFFFAOYSA-N -1 3 309.709 3.359 20 5 DGBDHM C[C@H](Nc1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461702 628262192 /nfs/dbraw/zinc/26/21/92/628262192.db2.gz QGLODIQVPBBVEI-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H](Nc1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461702 628262197 /nfs/dbraw/zinc/26/21/97/628262197.db2.gz QGLODIQVPBBVEI-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822209311 628429892 /nfs/dbraw/zinc/42/98/92/628429892.db2.gz CIDDAACHESCTHD-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822209311 628429893 /nfs/dbraw/zinc/42/98/93/628429893.db2.gz CIDDAACHESCTHD-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000825286462 628746864 /nfs/dbraw/zinc/74/68/64/628746864.db2.gz FDQWCJPAUKBBMO-RYUDHWBXSA-N -1 3 321.377 3.024 20 5 DGBDHM Cc1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826293173 628841376 /nfs/dbraw/zinc/84/13/76/628841376.db2.gz DOZVFWCHMZPAFT-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccc(Sc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826293173 628841377 /nfs/dbraw/zinc/84/13/77/628841377.db2.gz DOZVFWCHMZPAFT-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM O=[N+]([O-])c1ccsc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000826501050 628853120 /nfs/dbraw/zinc/85/31/20/628853120.db2.gz XKWUTMVAOFAZOS-UHFFFAOYSA-N -1 3 323.334 3.127 20 5 DGBDHM O=[N+]([O-])c1ccsc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000826501050 628853122 /nfs/dbraw/zinc/85/31/22/628853122.db2.gz XKWUTMVAOFAZOS-UHFFFAOYSA-N -1 3 323.334 3.127 20 5 DGBDHM COc1cc(CNCc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000101590137 629742951 /nfs/dbraw/zinc/74/29/51/629742951.db2.gz XTOVGIINIORMBT-UHFFFAOYSA-N -1 3 320.320 3.046 20 5 DGBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCc2cccc([O-])c21 ZINC000170873036 659951977 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CC(C)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589595688 1192470249 /nfs/dbraw/zinc/47/02/49/1192470249.db2.gz JTGVICOCQQWSRT-LLVKDONJSA-N -1 3 318.381 3.402 20 5 DGBDHM CC(C)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589595688 1192470251 /nfs/dbraw/zinc/47/02/51/1192470251.db2.gz JTGVICOCQQWSRT-LLVKDONJSA-N -1 3 318.381 3.402 20 5 DGBDHM C[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589797250 1192474735 /nfs/dbraw/zinc/47/47/35/1192474735.db2.gz YOFZKASVZIKUNG-SECBINFHSA-N -1 3 304.354 3.012 20 5 DGBDHM C[C@H](CC(C)(C)C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589797250 1192474736 /nfs/dbraw/zinc/47/47/36/1192474736.db2.gz YOFZKASVZIKUNG-SECBINFHSA-N -1 3 304.354 3.012 20 5 DGBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001589980717 1192480367 /nfs/dbraw/zinc/48/03/67/1192480367.db2.gz CVHLVSGKTPEEGW-SNVBAGLBSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)C(C)(C)C1(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590076543 1192486572 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CC[C@@H](C)CON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000296709042 529329308 /nfs/dbraw/zinc/32/93/08/529329308.db2.gz LAYHFDVRXYQIQZ-MRVPVSSYSA-N -1 3 301.730 3.347 20 5 DGBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296709042 529329310 /nfs/dbraw/zinc/32/93/10/529329310.db2.gz LAYHFDVRXYQIQZ-MRVPVSSYSA-N -1 3 301.730 3.347 20 5 DGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731456701 574549963 /nfs/dbraw/zinc/54/99/63/574549963.db2.gz LRCUXUMXOADPIE-UHFFFAOYSA-N -1 3 323.211 3.034 20 5 DGBDHM CC(C)(C)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735602381 574708376 /nfs/dbraw/zinc/70/83/76/574708376.db2.gz OGMOACHFIYQJBQ-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)(C)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735602381 574708380 /nfs/dbraw/zinc/70/83/80/574708380.db2.gz OGMOACHFIYQJBQ-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000736244073 574738278 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CC(C)Cc1coc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000894433362 618328143 /nfs/dbraw/zinc/32/81/43/618328143.db2.gz JXXBFYJHNYJQQQ-UHFFFAOYSA-N -1 3 307.281 3.173 20 5 DGBDHM O=C([N-]c1nnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1Cl ZINC000858613728 621209842 /nfs/dbraw/zinc/20/98/42/621209842.db2.gz RTAURCSMRSUBGT-UHFFFAOYSA-N -1 3 324.749 3.229 20 5 DGBDHM Cc1cc(F)cc(C(=O)Nc2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000119436655 621668368 /nfs/dbraw/zinc/66/83/68/621668368.db2.gz GLCGKXZNFFLPFJ-UHFFFAOYSA-N -1 3 308.240 3.139 20 5 DGBDHM Cc1cccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1[O-] ZINC000773987514 623096625 /nfs/dbraw/zinc/09/66/25/623096625.db2.gz ILYHTINKUJUNNB-UHFFFAOYSA-N -1 3 312.325 3.120 20 5 DGBDHM Cc1c(COC(=O)c2cc3occc3[n-]2)cccc1[N+](=O)[O-] ZINC000786030361 624780052 /nfs/dbraw/zinc/78/00/52/624780052.db2.gz YXLUYVCDEQZTFV-UHFFFAOYSA-N -1 3 300.270 3.335 20 5 DGBDHM O=c1[n-]ccc(N[C@@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC000882992432 625889012 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DGBDHM Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826293401 628840773 /nfs/dbraw/zinc/84/07/73/628840773.db2.gz OFLBANJTLFKNKT-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826293401 628840775 /nfs/dbraw/zinc/84/07/75/628840775.db2.gz OFLBANJTLFKNKT-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM O=C(CCCc1ccccc1)[N-]OCc1ccccc1[N+](=O)[O-] ZINC000104053749 630376410 /nfs/dbraw/zinc/37/64/10/630376410.db2.gz HQXKGFUKBNHZBC-UHFFFAOYSA-N -1 3 314.341 3.166 20 5 DGBDHM Cc1ccc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000077257040 662018370 /nfs/dbraw/zinc/01/83/70/662018370.db2.gz NISAHVGOBLNVRT-UHFFFAOYSA-N -1 3 315.716 3.460 20 5 DGBDHM Cc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001581200391 1192057061 /nfs/dbraw/zinc/05/70/61/1192057061.db2.gz LHMYUVOVJHWZKM-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001581200391 1192057063 /nfs/dbraw/zinc/05/70/63/1192057063.db2.gz LHMYUVOVJHWZKM-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM CC(C)C(C)(C)SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589425553 1192464775 /nfs/dbraw/zinc/46/47/75/1192464775.db2.gz TWTUXXVPARDLEU-UHFFFAOYSA-N -1 3 321.406 3.443 20 5 DGBDHM CC(C)C(C)(C)SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589425553 1192464777 /nfs/dbraw/zinc/46/47/77/1192464777.db2.gz TWTUXXVPARDLEU-UHFFFAOYSA-N -1 3 321.406 3.443 20 5 DGBDHM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186615 1192493142 /nfs/dbraw/zinc/49/31/42/1192493142.db2.gz FDDDZGKIXXRVPD-UWVGGRQHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001590186615 1192493145 /nfs/dbraw/zinc/49/31/45/1192493145.db2.gz FDDDZGKIXXRVPD-UWVGGRQHSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590250742 1192498223 /nfs/dbraw/zinc/49/82/23/1192498223.db2.gz FKDUZLUHNIXUNE-CKYFFXLPSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590250742 1192498225 /nfs/dbraw/zinc/49/82/25/1192498225.db2.gz FKDUZLUHNIXUNE-CKYFFXLPSA-N -1 3 316.365 3.012 20 5 DGBDHM Cc1cc(N[C@H]2CCCC[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592037922 1192589143 /nfs/dbraw/zinc/58/91/43/1192589143.db2.gz WMLKCIWJNCEHJE-SKDRFNHKSA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592037922 1192589155 /nfs/dbraw/zinc/58/91/55/1192589155.db2.gz WMLKCIWJNCEHJE-SKDRFNHKSA-N -1 3 316.365 3.074 20 5 DGBDHM CCc1ccc([O-])c(NC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001598175647 1192764984 /nfs/dbraw/zinc/76/49/84/1192764984.db2.gz GRZSZJMYVZQWRS-UHFFFAOYSA-N -1 3 304.277 3.254 20 5 DGBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001603257502 1193013261 /nfs/dbraw/zinc/01/32/61/1193013261.db2.gz JRJHYFOBKSKNQB-GFCCVEGCSA-N -1 3 324.352 3.057 20 5 DGBDHM CC[C@H](C)c1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001453692148 1182322637 /nfs/dbraw/zinc/32/26/37/1182322637.db2.gz XAUMLEBZJRINLD-JTQLQIEISA-N -1 3 315.329 3.461 20 5 DGBDHM CCCc1[nH]nc(C(=O)[N-]c2cscc2Cl)c1[N+](=O)[O-] ZINC001455405121 1182368286 /nfs/dbraw/zinc/36/82/86/1182368286.db2.gz ASLZVMCJXRPMRC-UHFFFAOYSA-N -1 3 314.754 3.238 20 5 DGBDHM Cc1cccc(C)c1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605908623 1193183766 /nfs/dbraw/zinc/18/37/66/1193183766.db2.gz IRYUWBMACVFNAN-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1cccc(C)c1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605908623 1193183767 /nfs/dbraw/zinc/18/37/67/1193183767.db2.gz IRYUWBMACVFNAN-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC001609602277 1193344486 /nfs/dbraw/zinc/34/44/86/1193344486.db2.gz HCJTYNIACDPPHC-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC001609602277 1193344488 /nfs/dbraw/zinc/34/44/88/1193344488.db2.gz HCJTYNIACDPPHC-UHFFFAOYSA-N -1 3 317.305 3.065 20 5 DGBDHM Cc1nc2c(cccc2[N-]C(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC001532629279 1187772638 /nfs/dbraw/zinc/77/26/38/1187772638.db2.gz LCHQKKRXYABZFC-UHFFFAOYSA-N -1 3 315.260 3.436 20 5 DGBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OCc1ccccc1 ZINC001540601192 1188248182 /nfs/dbraw/zinc/24/81/82/1188248182.db2.gz PGHAVZQKEFLLCH-UHFFFAOYSA-N -1 3 320.732 3.039 20 5 DGBDHM O=C([O-])[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001574928484 1191458573 /nfs/dbraw/zinc/45/85/73/1191458573.db2.gz WCSKWXVYGRIYIH-WFBYXXMGSA-N -1 3 324.764 3.076 20 5 DGBDHM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001576150819 1191532880 /nfs/dbraw/zinc/53/28/80/1191532880.db2.gz CZTDGUUODPYIKG-GHMZBOCLSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001576150819 1191532893 /nfs/dbraw/zinc/53/28/93/1191532893.db2.gz CZTDGUUODPYIKG-GHMZBOCLSA-N -1 3 316.365 3.013 20 5 DGBDHM Cc1cc2ccccc2c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001624457808 1193998341 /nfs/dbraw/zinc/99/83/41/1193998341.db2.gz NPDHGBJYZJLMND-UHFFFAOYSA-N -1 3 323.308 3.409 20 5 DGBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001632243758 1194378720 /nfs/dbraw/zinc/37/87/20/1194378720.db2.gz RBFCCGZKQLHOHG-UHFFFAOYSA-N -1 3 304.277 3.309 20 5 DGBDHM Cc1cc(Cl)cc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001637817756 1194687389 /nfs/dbraw/zinc/68/73/89/1194687389.db2.gz ZKJVACVTPXXWLW-UHFFFAOYSA-N -1 3 321.720 3.218 20 5 DGBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001642322412 1194902084 /nfs/dbraw/zinc/90/20/84/1194902084.db2.gz OCARSGRBMONSQK-GFCCVEGCSA-N -1 3 323.736 3.148 20 5 DGBDHM CCO[C@H]1C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(CC)CC ZINC001642819044 1194942751 /nfs/dbraw/zinc/94/27/51/1194942751.db2.gz MERFZRMQKUMKDN-CVEARBPZSA-N -1 3 322.405 3.374 20 5 DGBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001652450598 1195599315 /nfs/dbraw/zinc/59/93/15/1195599315.db2.gz JKXOQCRUWOZYFK-UHFFFAOYSA-N -1 3 321.720 3.016 20 5 DGBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC001602171238 971161559 /nfs/dbraw/zinc/16/15/59/971161559.db2.gz ZGINMGGCFFQODE-AWEZNQCLSA-N -1 3 320.732 3.164 20 5 DGBDHM CC(C)N(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001588918185 962351846 /nfs/dbraw/zinc/35/18/46/962351846.db2.gz LJHIMEJZYGDPES-UHFFFAOYSA-N -1 3 321.160 3.197 20 5 DGBDHM O=c1[n-]ccc(N[C@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001161957163 1089490662 /nfs/dbraw/zinc/49/06/62/1089490662.db2.gz IXLLCCXXHUSIBT-OAHLLOKOSA-N -1 3 322.324 3.292 20 5 DGBDHM O=C([N-]c1cccc2ocnc21)c1c(F)cccc1[N+](=O)[O-] ZINC001128193598 1090896407 /nfs/dbraw/zinc/89/64/07/1090896407.db2.gz RJXDFCRGZAHPQF-UHFFFAOYSA-N -1 3 301.233 3.127 20 5 DGBDHM Cc1c(Nc2ccc([O-])cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211296993 1093449863 /nfs/dbraw/zinc/44/98/63/1093449863.db2.gz VFMZQPQKOJBKBB-UHFFFAOYSA-N 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1102522808 /nfs/dbraw/zinc/52/28/08/1102522808.db2.gz NUNVUOBVYZVCLI-INIZCTEOSA-N -1 3 300.314 3.414 20 5 DGBDHM CN(C)C(=O)Oc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229245 1102523064 /nfs/dbraw/zinc/52/30/64/1102523064.db2.gz IYKVQTIKVDVGOM-UHFFFAOYSA-N -1 3 317.301 3.104 20 5 DGBDHM COC(=O)/C=C/c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201232431 1102525107 /nfs/dbraw/zinc/52/51/07/1102525107.db2.gz POIYZLITCUBLHS-AATRIKPKSA-N -1 3 314.297 3.230 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cn3ccnc3)cc2)c1 ZINC001201223235 1102532542 /nfs/dbraw/zinc/53/25/42/1102532542.db2.gz ZEHYQIQKBDPJTJ-UHFFFAOYSA-N -1 3 310.313 3.289 20 5 DGBDHM COCCOc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221405 1102532567 /nfs/dbraw/zinc/53/25/67/1102532567.db2.gz BHBARPUVEVWHPQ-UHFFFAOYSA-N -1 3 322.292 3.208 20 5 DGBDHM CCOc1cc(-c2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001251265189 1105646290 /nfs/dbraw/zinc/64/62/90/1105646290.db2.gz XIKDBDCWCMCTFH-UHFFFAOYSA-N -1 3 317.276 3.382 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1 ZINC001251389226 1105656170 /nfs/dbraw/zinc/65/61/70/1105656170.db2.gz CSTFADPAOLTDMA-UHFFFAOYSA-N -1 3 324.340 3.444 20 5 DGBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254640840 1106119784 /nfs/dbraw/zinc/11/97/84/1106119784.db2.gz WFNWFGAQUMPUKM-NWDGAFQWSA-N -1 3 324.296 3.017 20 5 DGBDHM CC[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001306878687 1111246238 /nfs/dbraw/zinc/24/62/38/1111246238.db2.gz VHGMCQPCSNXHET-SNVBAGLBSA-N -1 3 315.329 3.461 20 5 DGBDHM O=C([N-]c1cc(Cl)c(Cl)cn1)c1ccc([N+](=O)[O-])o1 ZINC000072530381 284276249 /nfs/dbraw/zinc/27/62/49/284276249.db2.gz ZVHJFAWNINBNOM-UHFFFAOYSA-N -1 3 302.073 3.142 20 5 DGBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc([O-])cc1F ZINC000126104572 284293734 /nfs/dbraw/zinc/29/37/34/284293734.db2.gz GUVTVXQYMCNMNN-VMPITWQZSA-N -1 3 302.261 3.091 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)C)s2)c1 ZINC000266027028 205039017 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DGBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1nc(Cl)cs1 ZINC000788719762 625250722 /nfs/dbraw/zinc/25/07/22/625250722.db2.gz LAFVDTDWVLPUGB-UHFFFAOYSA-N -1 3 301.686 3.096 20 5 DGBDHM COc1ccc(C2CC2)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000882790273 625816591 /nfs/dbraw/zinc/81/65/91/625816591.db2.gz UEVHPUBYBMDEAY-UHFFFAOYSA-N -1 3 315.329 3.194 20 5 DGBDHM O=C(Oc1ccc2cc[nH]c2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000802960879 626586799 /nfs/dbraw/zinc/58/67/99/626586799.db2.gz KQIATKHFKVZLTG-UHFFFAOYSA-N -1 3 322.280 3.172 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000818929690 628062965 /nfs/dbraw/zinc/06/29/65/628062965.db2.gz IWIFJOJBSANHBH-LBPRGKRZSA-N -1 3 314.341 3.452 20 5 DGBDHM CC(C)(NCc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000819948219 628203326 /nfs/dbraw/zinc/20/33/26/628203326.db2.gz JVGKRRNFJRQJTO-UHFFFAOYSA-N -1 3 314.341 3.318 20 5 DGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461701 628261784 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1192605423 /nfs/dbraw/zinc/60/54/23/1192605423.db2.gz YNFRJRCCMVBWRV-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592250898 1192605430 /nfs/dbraw/zinc/60/54/30/1192605430.db2.gz YNFRJRCCMVBWRV-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1csc([N+](=O)[O-])c1 ZINC001597424090 1192732259 /nfs/dbraw/zinc/73/22/59/1192732259.db2.gz SLFILIWNCULYLC-UHFFFAOYSA-N -1 3 320.223 3.465 20 5 DGBDHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001475487670 1178848532 /nfs/dbraw/zinc/84/85/32/1178848532.db2.gz QYFKINLUKZPZKD-SECBINFHSA-N -1 3 320.436 3.068 20 5 DGBDHM CC(C)CCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603279275 1193013813 /nfs/dbraw/zinc/01/38/13/1193013813.db2.gz GTXPEGZHTLKNEA-UHFFFAOYSA-N -1 3 321.406 3.444 20 5 DGBDHM CC(C)CCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603279275 1193013815 /nfs/dbraw/zinc/01/38/15/1193013815.db2.gz GTXPEGZHTLKNEA-UHFFFAOYSA-N -1 3 321.406 3.444 20 5 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318.381 3.402 20 5 DGBDHM CC(C)(C)CC(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589119220 1192458185 /nfs/dbraw/zinc/45/81/85/1192458185.db2.gz SIZWMFWRZXQFLE-UHFFFAOYSA-N -1 3 318.381 3.402 20 5 DGBDHM CC(C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CCC1 ZINC001589288908 1192462430 /nfs/dbraw/zinc/46/24/30/1192462430.db2.gz UINKJKCDDQTZHQ-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CCC1 ZINC001589288908 1192462433 /nfs/dbraw/zinc/46/24/33/1192462433.db2.gz UINKJKCDDQTZHQ-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001590559912 1192520482 /nfs/dbraw/zinc/52/04/82/1192520482.db2.gz SXQWOJJQBVVHFT-ZDUSSCGKSA-N -1 3 318.381 3.402 20 5 DGBDHM CCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001590559912 1192520485 /nfs/dbraw/zinc/52/04/85/1192520485.db2.gz SXQWOJJQBVVHFT-ZDUSSCGKSA-N -1 3 318.381 3.402 20 5 DGBDHM CCCC[C@@H](CC)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590578919 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DGBDHM C[C@@H]1CCCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603890354 1193037363 /nfs/dbraw/zinc/03/73/63/1193037363.db2.gz BLVAIXDPMKHWNX-MNOVXSKESA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603890354 1193037365 /nfs/dbraw/zinc/03/73/65/1193037365.db2.gz BLVAIXDPMKHWNX-MNOVXSKESA-N -1 3 316.365 3.013 20 5 DGBDHM CCC[C@@H](C)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604137428 1193054342 /nfs/dbraw/zinc/05/43/42/1193054342.db2.gz UFDFRXLMYSAGSJ-SECBINFHSA-N -1 3 322.344 3.152 20 5 DGBDHM CCC[C@@H](C)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604137428 1193054346 /nfs/dbraw/zinc/05/43/46/1193054346.db2.gz UFDFRXLMYSAGSJ-SECBINFHSA-N -1 3 322.344 3.152 20 5 DGBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2cc(C(C)C)on2)c1F ZINC001440287656 1182034264 /nfs/dbraw/zinc/03/42/64/1182034264.db2.gz KFBNRKALXSBFQU-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001458351389 1182516916 /nfs/dbraw/zinc/51/69/16/1182516916.db2.gz ZXGYUHGWJFPVDP-RDDDGLTNSA-N -1 3 323.711 3.456 20 5 DGBDHM O=c1[n-]ccc(Nc2ccc(O[C@@H]3CC3(F)F)cc2)c1[N+](=O)[O-] ZINC001458495620 1182531669 /nfs/dbraw/zinc/53/16/69/1182531669.db2.gz JIUBVEDXUDFLSO-LLVKDONJSA-N -1 3 323.255 3.225 20 5 DGBDHM O=c1[n-]ccc(NCc2ccnc(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001458514306 1182533267 /nfs/dbraw/zinc/53/32/67/1182533267.db2.gz RLWADAVLMLRMJO-UHFFFAOYSA-N -1 3 322.324 3.370 20 5 DGBDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1C ZINC001605755108 1193168816 /nfs/dbraw/zinc/16/88/16/1193168816.db2.gz DPMSFGFTAICTQQ-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1C ZINC001605755108 1193168820 /nfs/dbraw/zinc/16/88/20/1193168820.db2.gz DPMSFGFTAICTQQ-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccccc1Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605943033 1193185046 /nfs/dbraw/zinc/18/50/46/1193185046.db2.gz HGPJWKXXWGGPGK-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccccc1Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605943033 1193185049 /nfs/dbraw/zinc/18/50/49/1193185049.db2.gz HGPJWKXXWGGPGK-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM COc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1[O-] ZINC001463574227 1183032945 /nfs/dbraw/zinc/03/29/45/1183032945.db2.gz AOUQEWAWISGBGQ-UHFFFAOYSA-N -1 3 316.313 3.178 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C/Sc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001607081856 1193211384 /nfs/dbraw/zinc/21/13/84/1193211384.db2.gz PLTDSMHPHUMUCH-BQYQJAHWSA-N -1 3 315.314 3.131 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C/Sc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001607081856 1193211387 /nfs/dbraw/zinc/21/13/87/1193211387.db2.gz PLTDSMHPHUMUCH-BQYQJAHWSA-N -1 3 315.314 3.131 20 5 DGBDHM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001609420464 1193337170 /nfs/dbraw/zinc/33/71/70/1193337170.db2.gz KKOWWBHQUQZJKY-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001609420464 1193337174 /nfs/dbraw/zinc/33/71/74/1193337174.db2.gz KKOWWBHQUQZJKY-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc2c(c1)CCC2 ZINC001609600648 1193344223 /nfs/dbraw/zinc/34/42/23/1193344223.db2.gz WRRDLDITTWPHOT-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc2c(c1)CCC2 ZINC001609600648 1193344226 /nfs/dbraw/zinc/34/42/26/1193344226.db2.gz WRRDLDITTWPHOT-UHFFFAOYSA-N -1 3 323.312 3.056 20 5 DGBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC001556300225 1188994383 /nfs/dbraw/zinc/99/43/83/1188994383.db2.gz LXBGOTLIXVVDIX-UHFFFAOYSA-N -1 3 312.753 3.171 20 5 DGBDHM CCSc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001559266904 1189189605 /nfs/dbraw/zinc/18/96/05/1189189605.db2.gz COCDPYNPHGCFNF-UHFFFAOYSA-N -1 3 305.359 3.420 20 5 DGBDHM Cc1cccc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1[O-] ZINC001624295157 1193991531 /nfs/dbraw/zinc/99/15/31/1193991531.db2.gz VRPHLHWQUVRLAG-UHFFFAOYSA-N -1 3 304.277 3.309 20 5 DGBDHM CCC1(CC)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001658538702 1196271308 /nfs/dbraw/zinc/27/13/08/1196271308.db2.gz HXRVBYKSPSPMRP-XZJROXQQSA-N -1 3 322.405 3.230 20 5 DGBDHM O=c1[n-]ccc(NCC(F)(F)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001186965922 1084733482 /nfs/dbraw/zinc/73/34/82/1084733482.db2.gz ROGHVHKZZQEXRJ-UHFFFAOYSA-N -1 3 313.235 3.038 20 5 DGBDHM CCc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1 ZINC001163055073 1090064615 /nfs/dbraw/zinc/06/46/15/1090064615.db2.gz RYFHQVLRFZBABC-UHFFFAOYSA-N -1 3 315.329 3.157 20 5 DGBDHM CSc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)co1 ZINC001124747805 1090323732 /nfs/dbraw/zinc/32/37/32/1090323732.db2.gz MFWSKXVTQNKQLZ-UHFFFAOYSA-N -1 3 314.269 3.440 20 5 DGBDHM COc1cccc([O-])c1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211298059 1093449740 /nfs/dbraw/zinc/44/97/40/1093449740.db2.gz JHKVDIBTYDCUJV-UHFFFAOYSA-N -1 3 319.273 3.269 20 5 DGBDHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1O ZINC001226481227 1096700246 /nfs/dbraw/zinc/70/02/46/1096700246.db2.gz DESRSTGFBYGNGZ-SNVBAGLBSA-N -1 3 317.297 3.349 20 5 DGBDHM COc1cccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c1 ZINC001227690155 1096969780 /nfs/dbraw/zinc/96/97/80/1096969780.db2.gz GSOQYPMTZCFLES-VIFPVBQESA-N -1 3 314.301 3.015 20 5 DGBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(F)c1 ZINC001227691158 1096970284 /nfs/dbraw/zinc/97/02/84/1096970284.db2.gz MYZAZUBMFAPLTC-MRVPVSSYSA-N -1 3 302.265 3.145 20 5 DGBDHM Cc1ccc2c(c1)[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)CC2 ZINC001227693852 1096970927 /nfs/dbraw/zinc/97/09/27/1096970927.db2.gz YHCALHUAFLTOQO-CYBMUJFWSA-N -1 3 310.313 3.241 20 5 DGBDHM Cc1cc2[n-]c(O[C@@H](C)c3cccnc3F)nc2cc1[N+](=O)[O-] ZINC001228673563 1097163749 /nfs/dbraw/zinc/16/37/49/1097163749.db2.gz HHSBEXGSCWZLEB-VIFPVBQESA-N -1 3 316.292 3.454 20 5 DGBDHM Cc1cc2[n-]c(O[C@@H](C)COC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228672245 1097164264 /nfs/dbraw/zinc/16/42/64/1097164264.db2.gz RGVBKYVIRYACGG-JTQLQIEISA-N -1 3 307.350 3.362 20 5 DGBDHM CCCCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674637 1097164307 /nfs/dbraw/zinc/16/43/07/1097164307.db2.gz KJTIENUDHXYRKO-NSHDSACASA-N -1 3 307.350 3.364 20 5 DGBDHM Cc1cc2[n-]c(O[C@H]3CC(F)(F)C3(F)F)nc2cc1[N+](=O)[O-] ZINC001228676785 1097165214 /nfs/dbraw/zinc/16/52/14/1097165214.db2.gz LYQCHCSIKRWZGO-VIFPVBQESA-N -1 3 319.214 3.201 20 5 DGBDHM Cc1cc2[n-]c(O[C@H]3Cc4ccncc4[C@H]3C)nc2cc1[N+](=O)[O-] ZINC001228677295 1097165295 /nfs/dbraw/zinc/16/52/95/1097165295.db2.gz PAJJCAZSAHEYOY-HWPZZCPQSA-N -1 3 324.340 3.282 20 5 DGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC001228688658 1097167901 /nfs/dbraw/zinc/16/79/01/1097167901.db2.gz MGAHHYSPURCLMJ-VIFPVBQESA-N -1 3 319.273 3.052 20 5 DGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccnc2Cl)c1[N+](=O)[O-] ZINC001228685581 1097168118 /nfs/dbraw/zinc/16/81/18/1097168118.db2.gz IKZATQSVLIGJQR-QMMMGPOBSA-N -1 3 309.709 3.192 20 5 DGBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@H]3CCC=CO3)nc2cc1Cl ZINC001233497650 1098351713 /nfs/dbraw/zinc/35/17/13/1098351713.db2.gz GZIDFCNMNSLBLO-MRVPVSSYSA-N -1 3 309.709 3.196 20 5 DGBDHM O=[N+]([O-])c1cc2nc(OC[C@H]3CCC=CO3)[n-]c2cc1Cl ZINC001233497650 1098351719 /nfs/dbraw/zinc/35/17/19/1098351719.db2.gz GZIDFCNMNSLBLO-MRVPVSSYSA-N -1 3 309.709 3.196 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2OC(F)(F)F)c1 ZINC001199819422 1102210979 /nfs/dbraw/zinc/21/09/79/1102210979.db2.gz QZJXEUKHVXFKID-UHFFFAOYSA-N -1 3 315.207 3.338 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)cnc2Cl)c1 ZINC001199819461 1102211174 /nfs/dbraw/zinc/21/11/74/1102211174.db2.gz SGQKMJMLUZRDBR-UHFFFAOYSA-N -1 3 301.089 3.141 20 5 DGBDHM CCOC(=O)c1ccsc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802309 1102217692 /nfs/dbraw/zinc/21/76/92/1102217692.db2.gz OKRHBYWOWQBTHA-UHFFFAOYSA-N -1 3 308.315 3.282 20 5 DGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(Cl)cncc2Cl)c1 ZINC001199801721 1102218258 /nfs/dbraw/zinc/21/82/58/1102218258.db2.gz VOUUKFXMHMUQST-UHFFFAOYSA-N -1 3 300.101 3.168 20 5 DGBDHM Nc1cc(Cl)nc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814890 1102219015 /nfs/dbraw/zinc/21/90/15/1102219015.db2.gz PVTJHWBXVXPOIR-UHFFFAOYSA-N -1 3 315.116 3.328 20 5 DGBDHM COC(=O)c1cc(F)c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201230081 1102522695 /nfs/dbraw/zinc/52/26/95/1102522695.db2.gz XGQKUBVRXCIJGF-UHFFFAOYSA-N -1 3 320.276 3.278 20 5 DGBDHM COC(=O)c1c(C)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229783 1102523037 /nfs/dbraw/zinc/52/30/37/1102523037.db2.gz SJLCNFGZMYFQPY-UHFFFAOYSA-N -1 3 302.286 3.139 20 5 DGBDHM COC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1F ZINC001201229799 1102523197 /nfs/dbraw/zinc/52/31/97/1102523197.db2.gz SUSNOXPFPCKUIM-UHFFFAOYSA-N -1 3 324.239 3.109 20 5 DGBDHM Cc1cc2c(ccc(N)c2F)n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223772 1102531881 /nfs/dbraw/zinc/53/18/81/1102531881.db2.gz FYEFXTQELDJUTA-UHFFFAOYSA-N -1 3 301.277 3.274 20 5 DGBDHM CCOC(=O)Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201221520 1102532514 /nfs/dbraw/zinc/53/25/14/1102532514.db2.gz ACTNZQMVDZHNFK-UHFFFAOYSA-N -1 3 316.313 3.150 20 5 DGBDHM O=c1[n-]cc(-c2nc(-c3cccc4occc43)no2)cc1[N+](=O)[O-] ZINC001212844317 1104272944 /nfs/dbraw/zinc/27/29/44/1104272944.db2.gz NXYOPGAEYSCOCQ-UHFFFAOYSA-N -1 3 324.252 3.159 20 5 DGBDHM Cc1ccc(-c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)o2)cc1C ZINC001256587145 1106450136 /nfs/dbraw/zinc/45/01/36/1106450136.db2.gz UHFQEIOADLFBOH-UHFFFAOYSA-N -1 3 312.285 3.029 20 5 DGBDHM O=C(Nc1cccc2ccsc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445136269 239389234 /nfs/dbraw/zinc/38/92/34/239389234.db2.gz ONYUZLPIDFNPII-UHFFFAOYSA-N -1 3 315.310 3.162 20 5 DGBDHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000109814798 284070120 /nfs/dbraw/zinc/07/01/20/284070120.db2.gz HCSGORMNOTXWQL-LLVKDONJSA-N -1 3 314.341 3.354 20 5 DGBDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000282470015 217019850 /nfs/dbraw/zinc/01/98/50/217019850.db2.gz PILZZRASISLGDB-UHFFFAOYSA-N -1 3 319.292 3.468 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128705378 284384433 /nfs/dbraw/zinc/38/44/33/284384433.db2.gz BFQPZOQAUHWUSX-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000128707966 284384515 /nfs/dbraw/zinc/38/45/15/284384515.db2.gz OVHOIZFNTIOLBR-CMDGGOBGSA-N -1 3 302.261 3.091 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000129031831 284395811 /nfs/dbraw/zinc/39/58/11/284395811.db2.gz KTWIQEHPZINKBF-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000494321158 246135229 /nfs/dbraw/zinc/13/52/29/246135229.db2.gz WCJNIQOIZPJJNC-UHFFFAOYSA-N -1 3 324.333 3.152 20 5 DGBDHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000057289343 184032169 /nfs/dbraw/zinc/03/21/69/184032169.db2.gz HYGMOTHHGCUMNU-UHFFFAOYSA-N -1 3 322.704 3.215 20 5 DGBDHM Cc1c([N-]C(=O)c2nc3cccnc3s2)cccc1[N+](=O)[O-] ZINC000338136811 253229942 /nfs/dbraw/zinc/22/99/42/253229942.db2.gz 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316.346 3.010 20 5 DGBDHM C[C@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589984385 1192481666 /nfs/dbraw/zinc/48/16/66/1192481666.db2.gz OYBZHPSRZZUMRT-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590250985 1192498230 /nfs/dbraw/zinc/49/82/30/1192498230.db2.gz HCAONKRFSGOPJJ-JQWIXIFHSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590250985 1192498232 /nfs/dbraw/zinc/49/82/32/1192498232.db2.gz HCAONKRFSGOPJJ-JQWIXIFHSA-N -1 3 316.365 3.013 20 5 DGBDHM CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590588123 1192528570 /nfs/dbraw/zinc/52/85/70/1192528570.db2.gz FCKWOZQBWSJZMU-SNVBAGLBSA-N -1 3 304.354 3.156 20 5 DGBDHM CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590588123 1192528572 /nfs/dbraw/zinc/52/85/72/1192528572.db2.gz FCKWOZQBWSJZMU-SNVBAGLBSA-N -1 3 304.354 3.156 20 5 DGBDHM CCCC[C@@H](CC)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590579449 1192527233 /nfs/dbraw/zinc/52/72/33/1192527233.db2.gz NQEIBRFMQQWAHC-LLVKDONJSA-N -1 3 318.381 3.403 20 5 DGBDHM CCCC[C@@H](CC)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590579449 1192527236 /nfs/dbraw/zinc/52/72/36/1192527236.db2.gz NQEIBRFMQQWAHC-LLVKDONJSA-N -1 3 318.381 3.403 20 5 DGBDHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC001600374482 1192839482 /nfs/dbraw/zinc/83/94/82/1192839482.db2.gz XUQBPNTUIKFYSW-YGRLFVJLSA-N -1 3 320.370 3.441 20 5 DGBDHM CC(C)(CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001603139161 1193008667 /nfs/dbraw/zinc/00/86/67/1193008667.db2.gz JRJPJBIJFDOAHA-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)(CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001603139161 1193008670 /nfs/dbraw/zinc/00/86/70/1193008670.db2.gz JRJPJBIJFDOAHA-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)C(C)(C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603206683 1193011292 /nfs/dbraw/zinc/01/12/92/1193011292.db2.gz QKAIQKVFLMWWPZ-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM CC(C)C(C)(C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603206683 1193011295 /nfs/dbraw/zinc/01/12/95/1193011295.db2.gz QKAIQKVFLMWWPZ-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM CC(C)(C)O[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001352096763 1180295911 /nfs/dbraw/zinc/29/59/11/1180295911.db2.gz JUZKVCOXXIUBKE-UHFFFAOYSA-N -1 3 300.742 3.027 20 5 DGBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001603937822 1193039747 /nfs/dbraw/zinc/03/97/47/1193039747.db2.gz BZGAQRZJYRNFSC-JTQLQIEISA-N -1 3 322.328 3.030 20 5 DGBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001603937822 1193039748 /nfs/dbraw/zinc/03/97/48/1193039748.db2.gz BZGAQRZJYRNFSC-JTQLQIEISA-N -1 3 322.328 3.030 20 5 DGBDHM CN(Cc1c(F)cccc1Cl)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458062104 1182493543 /nfs/dbraw/zinc/49/35/43/1182493543.db2.gz ZBUSHBNYUCIXFR-UHFFFAOYSA-N -1 3 311.700 3.124 20 5 DGBDHM CN(Cc1cccc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458106634 1182497259 /nfs/dbraw/zinc/49/72/59/1182497259.db2.gz QDPBOWMMPNAHGP-UHFFFAOYSA-N -1 3 309.325 3.485 20 5 DGBDHM CCOC(=O)c1cccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001458356453 1182517648 /nfs/dbraw/zinc/51/76/48/1182517648.db2.gz PWKVRTVLKWQMOQ-UHFFFAOYSA-N -1 3 320.326 3.023 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CCCCCCC1 ZINC001607080709 1193210816 /nfs/dbraw/zinc/21/08/16/1193210816.db2.gz YSNPZXXJXWFBBF-UHFFFAOYSA-N -1 3 316.365 3.300 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CCCCCCC1 ZINC001607080709 1193210820 /nfs/dbraw/zinc/21/08/20/1193210820.db2.gz YSNPZXXJXWFBBF-UHFFFAOYSA-N -1 3 316.365 3.300 20 5 DGBDHM CCc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC001472182853 1183623551 /nfs/dbraw/zinc/62/35/51/1183623551.db2.gz HFJXMIIGVBIBPX-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM O=c1[n-]ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001472674434 1183665557 /nfs/dbraw/zinc/66/55/57/1183665557.db2.gz BRKQPQJLQKWXGF-UHFFFAOYSA-N -1 3 311.637 3.049 20 5 DGBDHM O=[N+]([O-])c1cc(F)ccc1NCCc1c(F)cc([O-])cc1F ZINC001472886399 1183695815 /nfs/dbraw/zinc/69/58/15/1183695815.db2.gz QAMRUEQLCMYZIX-UHFFFAOYSA-N -1 3 312.247 3.372 20 5 DGBDHM CC(C)C(C)(C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609086440 1193323945 /nfs/dbraw/zinc/32/39/45/1193323945.db2.gz HAXBCAMQXYBSPC-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM CC(C)C(C)(C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609086440 1193323948 /nfs/dbraw/zinc/32/39/48/1193323948.db2.gz HAXBCAMQXYBSPC-UHFFFAOYSA-N -1 3 307.379 3.302 20 5 DGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccsc1 ZINC001609127150 1193325798 /nfs/dbraw/zinc/32/57/98/1193325798.db2.gz WMZYFQJTIBZRRZ-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccsc1 ZINC001609127150 1193325801 /nfs/dbraw/zinc/32/58/01/1193325801.db2.gz WMZYFQJTIBZRRZ-MRVPVSSYSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccsc1 ZINC001609126494 1193325953 /nfs/dbraw/zinc/32/59/53/1193325953.db2.gz WDEAXMZQSIPJSP-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccsc1 ZINC001609126494 1193325955 /nfs/dbraw/zinc/32/59/55/1193325955.db2.gz WDEAXMZQSIPJSP-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C/Sc2ccccc2-c2nnn[n-]2)o1 ZINC001609601623 1193344348 /nfs/dbraw/zinc/34/43/48/1193344348.db2.gz QTJZOMHYLZPJED-BQYQJAHWSA-N -1 3 315.314 3.131 20 5 DGBDHM O=[N+]([O-])c1ccc(/C=C/Sc2ccccc2-c2nn[n-]n2)o1 ZINC001609601623 1193344350 /nfs/dbraw/zinc/34/43/50/1193344350.db2.gz QTJZOMHYLZPJED-BQYQJAHWSA-N -1 3 315.314 3.131 20 5 DGBDHM O=c1[n-]ccc(NCc2csc(-c3ccco3)n2)c1[N+](=O)[O-] ZINC001612102144 1193446601 /nfs/dbraw/zinc/44/66/01/1193446601.db2.gz IUWXVMIDTODXAM-UHFFFAOYSA-N -1 3 318.314 3.024 20 5 DGBDHM Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c([O-])c1C ZINC001539660225 1188197688 /nfs/dbraw/zinc/19/76/88/1188197688.db2.gz GXNWDKZNPLSREV-UHFFFAOYSA-N -1 3 300.314 3.478 20 5 DGBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001556082650 1188983680 /nfs/dbraw/zinc/98/36/80/1188983680.db2.gz YQRMQGLPDVMIKX-UHFFFAOYSA-N -1 3 322.317 3.414 20 5 DGBDHM O=c1[n-]ccc(N2CCCn3c(cc4ccccc43)C2)c1[N+](=O)[O-] ZINC001639983188 1194789874 /nfs/dbraw/zinc/78/98/74/1194789874.db2.gz VRUCGDITYOEDAX-UHFFFAOYSA-N -1 3 324.340 3.060 20 5 DGBDHM O=c1[n-]ccc(NCCCc2c[nH]c3ccccc23)c1[N+](=O)[O-] ZINC001650730724 1195375842 /nfs/dbraw/zinc/37/58/42/1195375842.db2.gz IKNCSASEBUFIQU-UHFFFAOYSA-N -1 3 312.329 3.221 20 5 DGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nc2ccccc2o1 ZINC001651343462 1195446172 /nfs/dbraw/zinc/44/61/72/1195446172.db2.gz ZCNHGPMCWOXAES-SECBINFHSA-N -1 3 314.301 3.052 20 5 DGBDHM CCc1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1[O-] ZINC001653042266 1195683278 /nfs/dbraw/zinc/68/32/78/1195683278.db2.gz TWJKKZBMDFHDIQ-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM O=c1[n-]ccc(NCCSCc2ccccc2F)c1[N+](=O)[O-] ZINC001654910187 1195854279 /nfs/dbraw/zinc/85/42/79/1195854279.db2.gz AOOKNMPHSFKMMG-UHFFFAOYSA-N -1 3 323.349 3.180 20 5 DGBDHM COCCc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c(Cl)c1 ZINC001655733752 1195957906 /nfs/dbraw/zinc/95/79/06/1195957906.db2.gz SEARLFXFCYIEJR-UHFFFAOYSA-N -1 3 324.720 3.330 20 5 DGBDHM C[C@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001576152732 949258041 /nfs/dbraw/zinc/25/80/41/949258041.db2.gz KNXSJFNNQOEUOC-WDEREUQCSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001576152732 949258056 /nfs/dbraw/zinc/25/80/56/949258056.db2.gz KNXSJFNNQOEUOC-WDEREUQCSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)(C)C(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001573805950 949481298 /nfs/dbraw/zinc/48/12/98/949481298.db2.gz FHADYLUJEQQAJL-UHFFFAOYSA-N -1 3 318.381 3.259 20 5 DGBDHM CC(C)(C)C(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001573805950 949481309 /nfs/dbraw/zinc/48/13/09/949481309.db2.gz FHADYLUJEQQAJL-UHFFFAOYSA-N -1 3 318.381 3.259 20 5 DGBDHM CC(C)CCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574191396 950925388 /nfs/dbraw/zinc/92/53/88/950925388.db2.gz HHLWWXBRNFIFAB-LLVKDONJSA-N -1 3 318.381 3.402 20 5 DGBDHM CC(C)CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574191396 950925402 /nfs/dbraw/zinc/92/54/02/950925402.db2.gz HHLWWXBRNFIFAB-LLVKDONJSA-N -1 3 318.381 3.402 20 5 DGBDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001599901134 984827768 /nfs/dbraw/zinc/82/77/68/984827768.db2.gz STMLAMFPNIKCFF-BONVTDFDSA-N -1 3 318.304 3.210 20 5 DGBDHM C[C@]12CCCC[C@H]1CN2Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599938433 985425215 /nfs/dbraw/zinc/42/52/15/985425215.db2.gz TWALOJJLJGMRFW-BBRMVZONSA-N -1 3 304.346 3.058 20 5 DGBDHM O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCc1ncccc1[O-] ZINC001158771326 1083050536 /nfs/dbraw/zinc/05/05/36/1083050536.db2.gz ZFQFKVXOVQHXAW-UHFFFAOYSA-N -1 3 315.116 3.009 20 5 DGBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001186285204 1084626175 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O=C([N-]c1cccc2nonc21)c1cccc(Cl)c1[N+](=O)[O-] ZINC000808799759 626863066 /nfs/dbraw/zinc/86/30/66/626863066.db2.gz FTHIPLLVOXENQM-UHFFFAOYSA-N -1 3 318.676 3.037 20 5 DGBDHM Cc1cc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])no1 ZINC000813379022 627484568 /nfs/dbraw/zinc/48/45/68/627484568.db2.gz WJQWPCNXQVQLET-UHFFFAOYSA-N -1 3 316.100 3.450 20 5 DGBDHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000818053676 627990585 /nfs/dbraw/zinc/99/05/85/627990585.db2.gz SDKWYTIXQNWFCU-NSHDSACASA-N -1 3 300.314 3.144 20 5 DGBDHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000820148554 628229445 /nfs/dbraw/zinc/22/94/45/628229445.db2.gz OXFYGUCRCGSUPR-NSHDSACASA-N -1 3 300.314 3.144 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccccc1-c1nnn[n-]1 ZINC000822271074 628434832 /nfs/dbraw/zinc/43/48/32/628434832.db2.gz LGVMDXIODSMOPI-UHFFFAOYSA-N -1 3 324.344 3.004 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccccc1-c1nn[n-]n1 ZINC000822271074 628434833 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CC(C)c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263382027 432538103 /nfs/dbraw/zinc/53/81/03/432538103.db2.gz BWEQZWULNVICHI-CYBMUJFWSA-N -1 3 306.362 3.015 20 5 DGBDHM C[C@H](CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000263467789 432546023 /nfs/dbraw/zinc/54/60/23/432546023.db2.gz CYSILZOZUZBAMO-LLVKDONJSA-N -1 3 318.329 3.007 20 5 DGBDHM C[C@@H](C(=O)[O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000426757741 433587551 /nfs/dbraw/zinc/58/75/51/433587551.db2.gz FDLNVTFLNWSLLF-WBMJQRKESA-N -1 3 314.341 3.146 20 5 DGBDHM Cc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000436584107 434021125 /nfs/dbraw/zinc/02/11/25/434021125.db2.gz IXFHNOFKNNHAJN-UHFFFAOYSA-N -1 3 314.341 3.274 20 5 DGBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1c(F)ccc([O-])c1F ZINC000353455115 434147988 /nfs/dbraw/zinc/14/79/88/434147988.db2.gz OWDVZJYKSOCHDH-UHFFFAOYSA-N -1 3 322.311 3.253 20 5 DGBDHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000340531386 434187514 /nfs/dbraw/zinc/18/75/14/434187514.db2.gz MHJFGDFXWVDYHB-UHFFFAOYSA-N -1 3 320.251 3.328 20 5 DGBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000450985434 434517322 /nfs/dbraw/zinc/51/73/22/434517322.db2.gz DKEKWZSSXKRSCX-UHFFFAOYSA-N -1 3 312.391 3.225 20 5 DGBDHM Cc1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000553953585 434907441 /nfs/dbraw/zinc/90/74/41/434907441.db2.gz UKATWGTVTVERRN-UHFFFAOYSA-N -1 3 320.370 3.154 20 5 DGBDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462707011 434925043 /nfs/dbraw/zinc/92/50/43/434925043.db2.gz QQIAIHODVMSHCU-CMPLNLGQSA-N -1 3 314.407 3.006 20 5 DGBDHM C[C@@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccs1 ZINC000469540750 435131350 /nfs/dbraw/zinc/13/13/50/435131350.db2.gz VRXTVNPOQVSBST-SECBINFHSA-N -1 3 316.342 3.879 20 5 DGBDHM COc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000578418950 323730243 /nfs/dbraw/zinc/73/02/43/323730243.db2.gz ZNLKEJVHJTVTPV-JTQLQIEISA-N -1 3 316.313 3.051 20 5 DGBDHM O=[N+]([O-])c1cc2c(ncnc2Sc2cccc([O-])c2)s1 ZINC000312729096 534881337 /nfs/dbraw/zinc/88/13/37/534881337.db2.gz IVFGMPSFDMVUFI-UHFFFAOYSA-N -1 3 305.340 3.456 20 5 DGBDHM CC[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736401395 574748171 /nfs/dbraw/zinc/74/81/71/574748171.db2.gz WIXLVIQCVGPTNX-CMPLNLGQSA-N -1 3 316.365 3.156 20 5 DGBDHM CC[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736401395 574748174 /nfs/dbraw/zinc/74/81/74/574748174.db2.gz WIXLVIQCVGPTNX-CMPLNLGQSA-N -1 3 316.365 3.156 20 5 DGBDHM O=[N+]([O-])c1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000738367512 574867316 /nfs/dbraw/zinc/86/73/16/574867316.db2.gz UCAKGPPBLIUFOP-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000738367512 574867317 /nfs/dbraw/zinc/86/73/17/574867317.db2.gz UCAKGPPBLIUFOP-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM CCc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000916854522 620647417 /nfs/dbraw/zinc/64/74/17/620647417.db2.gz APWMTVILMYXXCO-UHFFFAOYSA-N -1 3 311.297 3.253 20 5 DGBDHM C[C@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000853669942 620723209 /nfs/dbraw/zinc/72/32/09/620723209.db2.gz XODISGGMFLXYCE-JTQLQIEISA-N -1 3 306.149 3.081 20 5 DGBDHM O=[N+]([O-])c1cc(COc2ccc3c([O-])coc3c2)ccc1Cl ZINC000915663257 620593243 /nfs/dbraw/zinc/59/32/43/620593243.db2.gz RXLQMWIVKUVAHY-UHFFFAOYSA-N -1 3 319.700 3.402 20 5 DGBDHM COc1ccc([O-])c(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000759720999 621885745 /nfs/dbraw/zinc/88/57/45/621885745.db2.gz WTGCKKCJLGMGOD-UHFFFAOYSA-N -1 3 320.276 3.009 20 5 DGBDHM Cc1cc(=O)[n-]c(CSCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000865278865 621887599 /nfs/dbraw/zinc/88/75/99/621887599.db2.gz POWWPMJIYHBGGT-UHFFFAOYSA-N -1 3 305.359 3.141 20 5 DGBDHM Cc1c(Cl)ccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000866286447 622085178 /nfs/dbraw/zinc/08/51/78/622085178.db2.gz XAMDCYZOSMEROQ-UHFFFAOYSA-N -1 3 319.748 3.220 20 5 DGBDHM Cc1c(CN[C@H](CC(=O)[O-])c2cccs2)cccc1[N+](=O)[O-] ZINC000871878909 622727034 /nfs/dbraw/zinc/72/70/34/622727034.db2.gz WCDVTGZZOYBDSX-GFCCVEGCSA-N -1 3 320.370 3.270 20 5 DGBDHM COc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000872028297 622760971 /nfs/dbraw/zinc/76/09/71/622760971.db2.gz ITMOAKOVGPVPBK-SNVBAGLBSA-N -1 3 320.320 3.299 20 5 DGBDHM C/C(=C\C(=O)Nc1nc(C)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000790073845 625600526 /nfs/dbraw/zinc/60/05/26/625600526.db2.gz XLSJVPAUUAMWHH-MDZDMXLPSA-N -1 3 313.313 3.046 20 5 DGBDHM CC(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000813245513 627472079 /nfs/dbraw/zinc/47/20/79/627472079.db2.gz TZAPBLYDPUUPFC-UHFFFAOYSA-N -1 3 308.677 3.296 20 5 DGBDHM CC(C)c1ccc(CN2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000820057493 628218488 /nfs/dbraw/zinc/21/84/88/628218488.db2.gz ILYUPJSDGOMOHM-UHFFFAOYSA-N -1 3 306.362 3.015 20 5 DGBDHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000820147771 628229428 /nfs/dbraw/zinc/22/94/28/628229428.db2.gz DRNQPTCSBGEKBJ-LLVKDONJSA-N -1 3 300.314 3.144 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820870287 628307115 /nfs/dbraw/zinc/30/71/15/628307115.db2.gz QDLBQSYSZWVXFR-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820870287 628307118 /nfs/dbraw/zinc/30/71/18/628307118.db2.gz QDLBQSYSZWVXFR-UWVGGRQHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820925811 628314950 /nfs/dbraw/zinc/31/49/50/628314950.db2.gz MYGHJZQDKZOQLO-OAHLLOKOSA-N -1 3 324.344 3.338 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823644280 628582840 /nfs/dbraw/zinc/58/28/40/628582840.db2.gz JIIYTZFSWCXWPE-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823644280 628582841 /nfs/dbraw/zinc/58/28/41/628582841.db2.gz JIIYTZFSWCXWPE-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000825255946 628743085 /nfs/dbraw/zinc/74/30/85/628743085.db2.gz SKWKKOYEHOQVTR-OBJOEFQTSA-N -1 3 321.377 3.024 20 5 DGBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000795571796 661160710 /nfs/dbraw/zinc/16/07/10/661160710.db2.gz YUKGROXFQVSQEM-UHFFFAOYSA-N -1 3 318.763 3.111 20 5 DGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2[O-])c1 ZINC000198139387 660087547 /nfs/dbraw/zinc/08/75/47/660087547.db2.gz ATIFZUIBIWXKSC-UHFFFAOYSA-N -1 3 304.327 3.275 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576642083 1191858676 /nfs/dbraw/zinc/85/86/76/1191858676.db2.gz SGHUZRASNAYULT-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576642083 1191858679 /nfs/dbraw/zinc/85/86/79/1191858679.db2.gz SGHUZRASNAYULT-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001586535135 1192335474 /nfs/dbraw/zinc/33/54/74/1192335474.db2.gz FUOSPRMSJQVQFU-UHFFFAOYSA-N -1 3 324.695 3.023 20 5 DGBDHM CC(C)(CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001589275793 1192461624 /nfs/dbraw/zinc/46/16/24/1192461624.db2.gz IIZDGAGLVFZQIA-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)(CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589275793 1192461627 /nfs/dbraw/zinc/46/16/27/1192461627.db2.gz IIZDGAGLVFZQIA-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC(C)CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589593017 1192469009 /nfs/dbraw/zinc/46/90/09/1192469009.db2.gz HMFRWIBGOQZGKX-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589593017 1192469011 /nfs/dbraw/zinc/46/90/11/1192469011.db2.gz HMFRWIBGOQZGKX-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589593456 1192469548 /nfs/dbraw/zinc/46/95/48/1192469548.db2.gz KYHAIOSMWSVEPU-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CC(C)CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589593456 1192469549 /nfs/dbraw/zinc/46/95/49/1192469549.db2.gz KYHAIOSMWSVEPU-UHFFFAOYSA-N -1 3 304.354 3.013 20 5 DGBDHM CCC(CC)CN(CC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590433486 1192507772 /nfs/dbraw/zinc/50/77/72/1192507772.db2.gz BRDIAYJCIKNCHD-UHFFFAOYSA-N -1 3 318.381 3.037 20 5 DGBDHM CCC(CC)CN(CC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590433486 1192507776 /nfs/dbraw/zinc/50/77/76/1192507776.db2.gz BRDIAYJCIKNCHD-UHFFFAOYSA-N -1 3 318.381 3.037 20 5 DGBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472551 1192512035 /nfs/dbraw/zinc/51/20/35/1192512035.db2.gz FZRYKOPGISNEJH-QWRGUYRKSA-N -1 3 316.365 3.012 20 5 DGBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001590472551 1192512037 /nfs/dbraw/zinc/51/20/37/1192512037.db2.gz FZRYKOPGISNEJH-QWRGUYRKSA-N -1 3 316.365 3.012 20 5 DGBDHM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC001590558432 1192520739 /nfs/dbraw/zinc/52/07/39/1192520739.db2.gz ADISZRDFTLMONY-CYBMUJFWSA-N -1 3 318.381 3.402 20 5 DGBDHM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC001590558432 1192520741 /nfs/dbraw/zinc/52/07/41/1192520741.db2.gz ADISZRDFTLMONY-CYBMUJFWSA-N -1 3 318.381 3.402 20 5 DGBDHM O=C([O-])C1(CCCCNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001601707068 1192942234 /nfs/dbraw/zinc/94/22/34/1192942234.db2.gz GLJTWLABPJDGLR-UHFFFAOYSA-N -1 3 324.352 3.249 20 5 DGBDHM CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603777565 1193031124 /nfs/dbraw/zinc/03/11/24/1193031124.db2.gz FVNVWOGTCNQQKS-ZDUSSCGKSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603777565 1193031125 /nfs/dbraw/zinc/03/11/25/1193031125.db2.gz FVNVWOGTCNQQKS-ZDUSSCGKSA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001603884851 1193037109 /nfs/dbraw/zinc/03/71/09/1193037109.db2.gz AGZKOJFJURFOQE-JQWIXIFHSA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001603884851 1193037111 /nfs/dbraw/zinc/03/71/11/1193037111.db2.gz AGZKOJFJURFOQE-JQWIXIFHSA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c2ccccc21 ZINC001603939287 1193039554 /nfs/dbraw/zinc/03/95/54/1193039554.db2.gz KSRFDEWUWIQWOG-JTQLQIEISA-N -1 3 322.328 3.030 20 5 DGBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c2ccccc21 ZINC001603939287 1193039557 /nfs/dbraw/zinc/03/95/57/1193039557.db2.gz KSRFDEWUWIQWOG-JTQLQIEISA-N -1 3 322.328 3.030 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604001198 1193043363 /nfs/dbraw/zinc/04/33/63/1193043363.db2.gz RKJILBJPGCLALH-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM CC[C@@H](C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604001198 1193043366 /nfs/dbraw/zinc/04/33/66/1193043366.db2.gz RKJILBJPGCLALH-NXEZZACHSA-N -1 3 304.354 3.012 20 5 DGBDHM O=C([N-]c1cc(Cl)cc2c[nH]nc21)c1ccc([N+](=O)[O-])s1 ZINC001457050040 1182442046 /nfs/dbraw/zinc/44/20/46/1182442046.db2.gz VHRYBMPJDWTDJB-UHFFFAOYSA-N -1 3 322.733 3.438 20 5 DGBDHM Cc1cc(N[C@H]2CCC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723634 1193167396 /nfs/dbraw/zinc/16/73/96/1193167396.db2.gz UAXXUZHQBJDDSK-JTQLQIEISA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@H]2CCC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723634 1193167399 /nfs/dbraw/zinc/16/73/99/1193167399.db2.gz UAXXUZHQBJDDSK-JTQLQIEISA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])s1 ZINC001605749993 1193169016 /nfs/dbraw/zinc/16/90/16/1193169016.db2.gz NGWYCURFKKNAOX-UHFFFAOYSA-N -1 3 321.293 3.076 20 5 DGBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])s1 ZINC001605749993 1193169023 /nfs/dbraw/zinc/16/90/23/1193169023.db2.gz NGWYCURFKKNAOX-UHFFFAOYSA-N -1 3 321.293 3.076 20 5 DGBDHM O=C([N-]c1c(F)ccnc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001460584258 1182697506 /nfs/dbraw/zinc/69/75/06/1182697506.db2.gz LQYAPLQOGPOHBV-UHFFFAOYSA-N -1 3 313.647 3.174 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC001466631317 1183215602 /nfs/dbraw/zinc/21/56/02/1183215602.db2.gz KBFCPVDTXQUXNH-UHFFFAOYSA-N -1 3 304.277 3.309 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cccc(Cl)c1 ZINC001609600278 1193344245 /nfs/dbraw/zinc/34/42/45/1193344245.db2.gz ALBFKTYWNWBEJC-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cccc(Cl)c1 ZINC001609600278 1193344246 /nfs/dbraw/zinc/34/42/46/1193344246.db2.gz ALBFKTYWNWBEJC-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM CC(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001611026616 1193420535 /nfs/dbraw/zinc/42/05/35/1193420535.db2.gz RZWRLCLUJGFUON-UHFFFAOYSA-N -1 3 315.329 3.146 20 5 DGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC001612027928 1193445328 /nfs/dbraw/zinc/44/53/28/1193445328.db2.gz QYWHTTAKJLERTR-SECBINFHSA-N -1 3 323.736 3.228 20 5 DGBDHM CSc1ccc(F)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559115586 1189171959 /nfs/dbraw/zinc/17/19/59/1189171959.db2.gz BFYMMXHAPHHGDX-UHFFFAOYSA-N -1 3 309.322 3.169 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001623168814 1193921428 /nfs/dbraw/zinc/92/14/28/1193921428.db2.gz ZJBWGSOFGSXZLR-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM Cc1cccc([O-])c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001636288019 1194604311 /nfs/dbraw/zinc/60/43/11/1194604311.db2.gz CGRBIEBZTCWNST-LBPRGKRZSA-N -1 3 314.341 3.142 20 5 DGBDHM Cc1cc(NCc2cc(=O)[n-]c(C3CCC3)n2)ccc1[N+](=O)[O-] ZINC001651294196 1195440056 /nfs/dbraw/zinc/44/00/56/1195440056.db2.gz SOHXWOLZPNFAMV-UHFFFAOYSA-N -1 3 314.345 3.278 20 5 DGBDHM Cc1cccc2c(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])c[nH]c21 ZINC001651544549 1195478404 /nfs/dbraw/zinc/47/84/04/1195478404.db2.gz ICPPDFXSIIBGSN-UHFFFAOYSA-N -1 3 312.329 3.140 20 5 DGBDHM O=c1[n-]ccc(N2CCc3c(Cl)cc(F)cc3C2)c1[N+](=O)[O-] ZINC001655528244 1195927894 /nfs/dbraw/zinc/92/78/94/1195927894.db2.gz IPROESFRSPSESC-UHFFFAOYSA-N -1 3 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C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736244041 574738330 /nfs/dbraw/zinc/73/83/30/574738330.db2.gz DDRPIODZILMZTI-NRUUGDAUSA-N -1 3 316.365 3.012 20 5 DGBDHM C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736244041 574738331 /nfs/dbraw/zinc/73/83/31/574738331.db2.gz DDRPIODZILMZTI-NRUUGDAUSA-N -1 3 316.365 3.012 20 5 DGBDHM Cc1c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000738289426 574864431 /nfs/dbraw/zinc/86/44/31/574864431.db2.gz QIMYQIOOVSXNIZ-MRXNPFEDSA-N -1 3 314.341 3.161 20 5 DGBDHM CC(C)Oc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000853190317 620676295 /nfs/dbraw/zinc/67/62/95/620676295.db2.gz JUWQGIUVTLUNCS-UHFFFAOYSA-N -1 3 303.318 3.095 20 5 DGBDHM COc1c([O-])ccc(CNc2cncc(C(C)C)c2)c1[N+](=O)[O-] ZINC000897707667 619174280 /nfs/dbraw/zinc/17/42/80/619174280.db2.gz XCJWTAIDTSMTNU-UHFFFAOYSA-N -1 3 317.345 3.440 20 5 DGBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)sc2nccn12 ZINC000755376522 621569329 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O=c1[n-]ccc(N[C@H]2c3ccccc3CC[C@@H]2F)c1[N+](=O)[O-] ZINC000882992430 625888900 /nfs/dbraw/zinc/88/89/00/625888900.db2.gz WBDVAIMYSMCCAD-AAEUAGOBSA-N -1 3 303.293 3.133 20 5 DGBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ncoc1C(C)C ZINC000800146636 626813222 /nfs/dbraw/zinc/81/32/22/626813222.db2.gz CSIDGBYYWJNHDT-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822270941 628434878 /nfs/dbraw/zinc/43/48/78/628434878.db2.gz FBYACHYVVSYYRH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822270941 628434880 /nfs/dbraw/zinc/43/48/80/628434880.db2.gz FBYACHYVVSYYRH-LLVKDONJSA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1cc(Sc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826272320 628837763 /nfs/dbraw/zinc/83/77/63/628837763.db2.gz DJBLHEFLTPJJRL-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1cc(Sc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826272320 628837767 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C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001589980865 1192481772 /nfs/dbraw/zinc/48/17/72/1192481772.db2.gz GAHPJAVNNQAUIN-QMMMGPOBSA-N -1 3 316.346 3.010 20 5 DGBDHM CC1CCC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590228505 1192494197 /nfs/dbraw/zinc/49/41/97/1192494197.db2.gz CPWJJAGTMBWCDC-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM CC1CCC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590228505 1192494205 /nfs/dbraw/zinc/49/42/05/1192494205.db2.gz CPWJJAGTMBWCDC-UHFFFAOYSA-N -1 3 316.365 3.013 20 5 DGBDHM C[C@@H]1CCC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590252707 1192498166 /nfs/dbraw/zinc/49/81/66/1192498166.db2.gz MMUHRVKRVAWSHM-MNOVXSKESA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590252707 1192498168 /nfs/dbraw/zinc/49/81/68/1192498168.db2.gz MMUHRVKRVAWSHM-MNOVXSKESA-N -1 3 316.365 3.156 20 5 DGBDHM C[C@@H]1CCC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590254858 1192499141 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/nfs/dbraw/zinc/74/75/23/574747523.db2.gz AKIFQIGHZZKTCQ-QWRGUYRKSA-N -1 3 316.365 3.156 20 5 DGBDHM CC[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736398477 574747524 /nfs/dbraw/zinc/74/75/24/574747524.db2.gz AKIFQIGHZZKTCQ-QWRGUYRKSA-N -1 3 316.365 3.156 20 5 DGBDHM Cc1c(CN(C)[C@H](C(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000738289424 574864481 /nfs/dbraw/zinc/86/44/81/574864481.db2.gz QIMYQIOOVSXNIZ-INIZCTEOSA-N -1 3 314.341 3.161 20 5 DGBDHM Cc1oc(C2CC2)nc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000808809003 626863842 /nfs/dbraw/zinc/86/38/42/626863842.db2.gz JTDWSWFTIJWILO-UHFFFAOYSA-N -1 3 319.292 3.468 20 5 DGBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000820484122 628264072 /nfs/dbraw/zinc/26/40/72/628264072.db2.gz DNUMVSHGLUKSQK-UHFFFAOYSA-N -1 3 312.753 3.029 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822271030 628434781 /nfs/dbraw/zinc/43/47/81/628434781.db2.gz JDIFVEMIBGAOEX-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822271030 628434783 /nfs/dbraw/zinc/43/47/83/628434783.db2.gz JDIFVEMIBGAOEX-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM O=[N+]([O-])c1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823648039 628583053 /nfs/dbraw/zinc/58/30/53/628583053.db2.gz SEWOTPDROKSJNE-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM O=[N+]([O-])c1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823648039 628583057 /nfs/dbraw/zinc/58/30/57/628583057.db2.gz SEWOTPDROKSJNE-UHFFFAOYSA-N -1 3 313.342 3.067 20 5 DGBDHM CC(C)N(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833497791 629612117 /nfs/dbraw/zinc/61/21/17/629612117.db2.gz JCMDYXMOTLEIMH-UHFFFAOYSA-N -1 3 317.345 3.032 20 5 DGBDHM O=C(Nc1ccc([O-])cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070333160 660052652 /nfs/dbraw/zinc/05/26/52/660052652.db2.gz FRHNRWUPZDGWSE-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000080600217 662147305 /nfs/dbraw/zinc/14/73/05/662147305.db2.gz MNEFFPUXYZPWQE-UHFFFAOYSA-N -1 3 324.695 3.023 20 5 DGBDHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000080992451 662157491 /nfs/dbraw/zinc/15/74/91/662157491.db2.gz QUCMZQXSESDPRM-ZDUSSCGKSA-N -1 3 312.753 3.077 20 5 DGBDHM CCCc1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001577735854 1191914769 /nfs/dbraw/zinc/91/47/69/1191914769.db2.gz CJBUVGAJYJYPEC-UHFFFAOYSA-N -1 3 324.344 3.471 20 5 DGBDHM CCCc1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001577735854 1191914771 /nfs/dbraw/zinc/91/47/71/1191914771.db2.gz CJBUVGAJYJYPEC-UHFFFAOYSA-N -1 3 324.344 3.471 20 5 DGBDHM Cc1cc(C)cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001580907411 1192045532 /nfs/dbraw/zinc/04/55/32/1192045532.db2.gz FINPWLFWIYXTDS-UHFFFAOYSA-N -1 3 324.344 3.444 20 5 DGBDHM Cc1cc(C)cc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001580907411 1192045536 /nfs/dbraw/zinc/04/55/36/1192045536.db2.gz FINPWLFWIYXTDS-UHFFFAOYSA-N -1 3 324.344 3.444 20 5 DGBDHM CC(C)C(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)C ZINC001589457011 1192464473 /nfs/dbraw/zinc/46/44/73/1192464473.db2.gz OIRLQIVUEHRMEE-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC(C)C(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)C ZINC001589457011 1192464476 /nfs/dbraw/zinc/46/44/76/1192464476.db2.gz OIRLQIVUEHRMEE-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001589980716 1192479739 /nfs/dbraw/zinc/47/97/39/1192479739.db2.gz CVHLVSGKTPEEGW-JTQLQIEISA-N -1 3 316.365 3.156 20 5 DGBDHM CCCC[C@@H](CC)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590579503 1192525743 /nfs/dbraw/zinc/52/57/43/1192525743.db2.gz PGOXIUPYFIRMIN-LLVKDONJSA-N -1 3 318.381 3.403 20 5 DGBDHM CCCC[C@@H](CC)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590579503 1192525747 /nfs/dbraw/zinc/52/57/47/1192525747.db2.gz PGOXIUPYFIRMIN-LLVKDONJSA-N -1 3 318.381 3.403 20 5 DGBDHM Cc1ccc(F)cc1Oc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592173396 1192598456 /nfs/dbraw/zinc/59/84/56/1192598456.db2.gz OOFACVNIMWAHBQ-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM Cc1ccc(F)cc1Oc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592173396 1192598458 /nfs/dbraw/zinc/59/84/58/1192598458.db2.gz OOFACVNIMWAHBQ-UHFFFAOYSA-N -1 3 315.264 3.015 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(C2CC2)cc1 ZINC001593470257 1192631761 /nfs/dbraw/zinc/63/17/61/1192631761.db2.gz KZDXRAAZDCNLOU-UHFFFAOYSA-N -1 3 322.328 3.396 20 5 DGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(C2CC2)cc1 ZINC001593470257 1192631763 /nfs/dbraw/zinc/63/17/63/1192631763.db2.gz KZDXRAAZDCNLOU-UHFFFAOYSA-N -1 3 322.328 3.396 20 5 DGBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC001593471226 1192632332 /nfs/dbraw/zinc/63/23/32/1192632332.db2.gz LNPUUHUXPXTWMX-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC001593471226 1192632334 /nfs/dbraw/zinc/63/23/34/1192632334.db2.gz LNPUUHUXPXTWMX-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603777564 1193030680 /nfs/dbraw/zinc/03/06/80/1193030680.db2.gz FVNVWOGTCNQQKS-CYBMUJFWSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603777564 1193030683 /nfs/dbraw/zinc/03/06/83/1193030683.db2.gz FVNVWOGTCNQQKS-CYBMUJFWSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001603772550 1193031421 /nfs/dbraw/zinc/03/14/21/1193031421.db2.gz QTMMGGJAICJJCJ-UHFFFAOYSA-N -1 3 316.365 3.156 20 5 DGBDHM CC1(C)CCC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001603772550 1193031423 /nfs/dbraw/zinc/03/14/23/1193031423.db2.gz QTMMGGJAICJJCJ-UHFFFAOYSA-N -1 3 316.365 3.156 20 5 DGBDHM Cc1c(OC(=O)c2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001354883431 1180926231 /nfs/dbraw/zinc/92/62/31/1180926231.db2.gz PNRIKDQGJONIFX-UHFFFAOYSA-N -1 3 307.689 3.481 20 5 DGBDHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001455646368 1182378564 /nfs/dbraw/zinc/37/85/64/1182378564.db2.gz MXGLWSFYWQCCJM-SECBINFHSA-N -1 3 320.732 3.445 20 5 DGBDHM O=c1[n-]ccc(Sc2c(F)cc(F)cc2F)c1[N+](=O)[O-] ZINC001458118931 1182498379 /nfs/dbraw/zinc/49/83/79/1182498379.db2.gz MNDRVEBHGFHTQX-UHFFFAOYSA-N -1 3 302.233 3.264 20 5 DGBDHM Cc1ccccc1Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605942901 1193184730 /nfs/dbraw/zinc/18/47/30/1193184730.db2.gz FBYYXCUVSIVEIA-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccccc1Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605942901 1193184733 /nfs/dbraw/zinc/18/47/33/1193184733.db2.gz FBYYXCUVSIVEIA-UHFFFAOYSA-N -1 3 313.342 3.235 20 5 DGBDHM Cc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[O-])cc1[N+](=O)[O-] ZINC001465488436 1183152788 /nfs/dbraw/zinc/15/27/88/1183152788.db2.gz NCZSKYMIFYPVMZ-GFCCVEGCSA-N -1 3 314.341 3.408 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCC1CCCC1 ZINC001607083845 1193211123 /nfs/dbraw/zinc/21/11/23/1193211123.db2.gz OQVHKNYPYJIKLK-UHFFFAOYSA-N -1 3 319.390 3.198 20 5 DGBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCC1CCCC1 ZINC001607083845 1193211126 /nfs/dbraw/zinc/21/11/26/1193211126.db2.gz OQVHKNYPYJIKLK-UHFFFAOYSA-N -1 3 319.390 3.198 20 5 DGBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(Cl)c1C ZINC001469379667 1183405100 /nfs/dbraw/zinc/40/51/00/1183405100.db2.gz QVRRLHOAVWOGQD-UHFFFAOYSA-N -1 3 321.720 3.218 20 5 DGBDHM O=C(Nc1ccc([O-])cc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC001470054470 1183458567 /nfs/dbraw/zinc/45/85/67/1183458567.db2.gz GOHRCUNVGKSORW-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609420614 1193337495 /nfs/dbraw/zinc/33/74/95/1193337495.db2.gz PHEAUMQWVMCHDK-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609420614 1193337497 /nfs/dbraw/zinc/33/74/97/1193337497.db2.gz PHEAUMQWVMCHDK-NSHDSACASA-N -1 3 324.344 3.256 20 5 DGBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001631889678 1194360856 /nfs/dbraw/zinc/36/08/56/1194360856.db2.gz PKUJPFBJMKEMRK-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM CSc1cccnc1[N-]C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001632012567 1194367477 /nfs/dbraw/zinc/36/74/77/1194367477.db2.gz QCSDOMFLIQOHPR-UHFFFAOYSA-N -1 3 321.333 3.412 20 5 DGBDHM O=C(Nc1c([O-])cccc1Cl)c1cc([N+](=O)[O-])ccc1F ZINC001641531847 1194859086 /nfs/dbraw/zinc/85/90/86/1194859086.db2.gz JYWNARITULQXER-UHFFFAOYSA-N -1 3 310.668 3.345 20 5 DGBDHM O=c1[n-]ccc(NCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001649608423 1195355371 /nfs/dbraw/zinc/35/53/71/1195355371.db2.gz NNJGHQMTHDBXKM-UHFFFAOYSA-N -1 3 313.235 3.326 20 5 DGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001651565906 1195480041 /nfs/dbraw/zinc/48/00/41/1195480041.db2.gz UDMJIKJIWZSQDX-SECBINFHSA-N -1 3 323.736 3.228 20 5 DGBDHM CCCOc1cc(C)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655238783 1195894186 /nfs/dbraw/zinc/89/41/86/1195894186.db2.gz NUEIOOWPGJTZQY-UHFFFAOYSA-N -1 3 317.345 3.405 20 5 DGBDHM Cc1ccc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC001655892926 1195974307 /nfs/dbraw/zinc/97/43/07/1195974307.db2.gz OMZJOJYCFNNGRN-ZETCQYMHSA-N -1 3 315.255 3.213 20 5 DGBDHM COc1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c(F)c1 ZINC001665453663 1197139439 /nfs/dbraw/zinc/13/94/39/1197139439.db2.gz FHKAXEALMXRFDI-UHFFFAOYSA-N -1 3 322.292 3.069 20 5 DGBDHM CC(C)CCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574191397 950925796 /nfs/dbraw/zinc/92/57/96/950925796.db2.gz HHLWWXBRNFIFAB-NSHDSACASA-N -1 3 318.381 3.402 20 5 DGBDHM CC(C)CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574191397 950925811 /nfs/dbraw/zinc/92/58/11/950925811.db2.gz HHLWWXBRNFIFAB-NSHDSACASA-N -1 3 318.381 3.402 20 5 DGBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])ccc1C(F)(F)F ZINC001169732761 1081644890 /nfs/dbraw/zinc/64/48/90/1081644890.db2.gz KRZWAWCKLBGVIM-UHFFFAOYSA-N -1 3 313.235 3.326 20 5 DGBDHM CSc1cc(C)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162806968 1089966340 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DDWNGHCETSRBMW-UHFFFAOYSA-N -1 3 324.695 3.023 20 5 DGBDHM O=[N+]([O-])c1ccccc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823647266 628583359 /nfs/dbraw/zinc/58/33/59/628583359.db2.gz JIGLOIVVQRLAHB-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM O=[N+]([O-])c1ccccc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823647266 628583362 /nfs/dbraw/zinc/58/33/62/628583362.db2.gz JIGLOIVVQRLAHB-UHFFFAOYSA-N -1 3 317.692 3.221 20 5 DGBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1(C(=O)[O-])CCCC1 ZINC000830806526 629307447 /nfs/dbraw/zinc/30/74/47/629307447.db2.gz OJMRNRUCBHMKOF-UHFFFAOYSA-N -1 3 312.753 3.077 20 5 DGBDHM CCC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC001577325713 1191893778 /nfs/dbraw/zinc/89/37/78/1191893778.db2.gz HSWWKWRXUHDFOE-GFCCVEGCSA-N -1 3 316.365 3.156 20 5 DGBDHM CCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001577325713 1191893780 /nfs/dbraw/zinc/89/37/80/1191893780.db2.gz HSWWKWRXUHDFOE-GFCCVEGCSA-N -1 3 316.365 3.156 20 5 DGBDHM CC(C)C(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)C ZINC001589456409 1192464219 /nfs/dbraw/zinc/46/42/19/1192464219.db2.gz GQOVVKILAIBNOC-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CC(C)C(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)C ZINC001589456409 1192464221 /nfs/dbraw/zinc/46/42/21/1192464221.db2.gz GQOVVKILAIBNOC-UHFFFAOYSA-N -1 3 318.381 3.115 20 5 DGBDHM CCC[C@@H](C)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590551317 1192520858 /nfs/dbraw/zinc/52/08/58/1192520858.db2.gz WOMLCYDLWYJRDU-SNVBAGLBSA-N -1 3 304.354 3.013 20 5 DGBDHM CCC[C@@H](C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590551317 1192520861 /nfs/dbraw/zinc/52/08/61/1192520861.db2.gz WOMLCYDLWYJRDU-SNVBAGLBSA-N -1 3 304.354 3.013 20 5 DGBDHM CCc1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001590896362 1192556469 /nfs/dbraw/zinc/55/64/69/1192556469.db2.gz ZCDRVWDEBJIAKM-UHFFFAOYSA-N -1 3 311.301 3.130 20 5 DGBDHM CCc1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001590896362 1192556472 /nfs/dbraw/zinc/55/64/72/1192556472.db2.gz ZCDRVWDEBJIAKM-UHFFFAOYSA-N -1 3 311.301 3.130 20 5 DGBDHM Cc1cc(N[C@@H]2CCCC[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592037921 1192589416 /nfs/dbraw/zinc/58/94/16/1192589416.db2.gz WMLKCIWJNCEHJE-JOYOIKCWSA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@@H]2CCCC[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592037921 1192589418 /nfs/dbraw/zinc/58/94/18/1192589418.db2.gz WMLKCIWJNCEHJE-JOYOIKCWSA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC001592186665 1192600553 /nfs/dbraw/zinc/60/05/53/1192600553.db2.gz VMUDJGNUCBZSON-UHFFFAOYSA-N -1 3 324.344 3.444 20 5 DGBDHM Cc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC001592186665 1192600556 /nfs/dbraw/zinc/60/05/56/1192600556.db2.gz VMUDJGNUCBZSON-UHFFFAOYSA-N -1 3 324.344 3.444 20 5 DGBDHM O=[N+]([O-])c1cc(NCCC2=CCCCC2)ccc1-c1nnn[n-]1 ZINC001593474573 1192631706 /nfs/dbraw/zinc/63/17/06/1192631706.db2.gz UCFKPOSWWGSBCI-UHFFFAOYSA-N -1 3 314.349 3.077 20 5 DGBDHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC001600374479 1192839111 /nfs/dbraw/zinc/83/91/11/1192839111.db2.gz XUQBPNTUIKFYSW-HZMBPMFUSA-N -1 3 320.370 3.441 20 5 DGBDHM CCOc1ccccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001333695026 1178654469 /nfs/dbraw/zinc/65/44/69/1178654469.db2.gz WKGIKZRBRLAHID-UHFFFAOYSA-N -1 3 318.329 3.320 20 5 DGBDHM CC(C)(C)CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603077604 1193006363 /nfs/dbraw/zinc/00/63/63/1193006363.db2.gz VDUVDTVJQMWSJY-UHFFFAOYSA-N -1 3 307.379 3.054 20 5 DGBDHM CC(C)(C)CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603077604 1193006364 /nfs/dbraw/zinc/00/63/64/1193006364.db2.gz VDUVDTVJQMWSJY-UHFFFAOYSA-N -1 3 307.379 3.054 20 5 DGBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001441085458 1182055525 /nfs/dbraw/zinc/05/55/25/1182055525.db2.gz HIIRECJVCOERHJ-UHFFFAOYSA-N -1 3 321.720 3.016 20 5 DGBDHM CCc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001441760599 1182069888 /nfs/dbraw/zinc/06/98/88/1182069888.db2.gz DKNDRJATCSPSIA-LLVKDONJSA-N -1 3 314.341 3.354 20 5 DGBDHM CCc1cccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC001456595901 1182425082 /nfs/dbraw/zinc/42/50/82/1182425082.db2.gz WOJCNMZMLFUZDO-UHFFFAOYSA-N -1 3 300.314 3.424 20 5 DGBDHM Cc1cccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1[O-] ZINC001457895608 1182486430 /nfs/dbraw/zinc/48/64/30/1182486430.db2.gz YQRIVWAGHBRONG-UHFFFAOYSA-N -1 3 323.308 3.409 20 5 DGBDHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001458261062 1182509183 /nfs/dbraw/zinc/50/91/83/1182509183.db2.gz KGFOOJNUFOMSFT-UHFFFAOYSA-N -1 3 320.251 3.328 20 5 DGBDHM Cc1cc(N[C@@H]2CCC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723635 1193166827 /nfs/dbraw/zinc/16/68/27/1193166827.db2.gz UAXXUZHQBJDDSK-SNVBAGLBSA-N -1 3 316.365 3.074 20 5 DGBDHM Cc1cc(N[C@@H]2CCC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723635 1193166830 /nfs/dbraw/zinc/16/68/30/1193166830.db2.gz UAXXUZHQBJDDSK-SNVBAGLBSA-N -1 3 316.365 3.074 20 5 DGBDHM O=c1[n-]ccc(Nc2ccc(O[C@H]3CC3(F)F)cc2)c1[N+](=O)[O-] ZINC001458495621 1182531134 /nfs/dbraw/zinc/53/11/34/1182531134.db2.gz JIUBVEDXUDFLSO-NSHDSACASA-N -1 3 323.255 3.225 20 5 DGBDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001463181013 1183013738 /nfs/dbraw/zinc/01/37/38/1183013738.db2.gz YIDYFTRYULUZFM-BDAKNGLRSA-N -1 3 320.436 3.068 20 5 DGBDHM CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609200003 1193329987 /nfs/dbraw/zinc/32/99/87/1193329987.db2.gz LDLRUWBDQKRMQQ-ZWNOBZJWSA-N -1 3 316.365 3.156 20 5 DGBDHM CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609200003 1193329989 /nfs/dbraw/zinc/32/99/89/1193329989.db2.gz LDLRUWBDQKRMQQ-ZWNOBZJWSA-N -1 3 316.365 3.156 20 5 DGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(CCCC3)CC2)c1 ZINC001610842134 1193412110 /nfs/dbraw/zinc/41/21/10/1193412110.db2.gz PWKCLVUTQXWKIY-UHFFFAOYSA-N -1 3 318.373 3.449 20 5 DGBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001540232551 1188225716 /nfs/dbraw/zinc/22/57/16/1188225716.db2.gz GTPVYFYTPRVYTE-UHFFFAOYSA-N -1 3 323.280 3.048 20 5 DGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1conc1C(F)(F)F ZINC001540363966 1188235270 /nfs/dbraw/zinc/23/52/70/1188235270.db2.gz QVGVGOXPISLLHO-UHFFFAOYSA-N -1 3 315.207 3.162 20 5 DGBDHM COc1cc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])ccc1F ZINC001560760377 1189376956 /nfs/dbraw/zinc/37/69/56/1189376956.db2.gz FEIKFUYMESCIQQ-UHFFFAOYSA-N -1 3 322.292 3.069 20 5 DGBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1cc(C(C)C)on1 ZINC001628106417 1194160751 /nfs/dbraw/zinc/16/07/51/1194160751.db2.gz IRPRTYJEGGVJSE-UHFFFAOYSA-N -1 3 307.281 3.406 20 5 DGBDHM COc1cc(C(=O)Nc2cc(C)ccc2[O-])c([N+](=O)[O-])cc1F ZINC001633355005 1194433272 /nfs/dbraw/zinc/43/32/72/1194433272.db2.gz CCLQIAMJJXCYCX-UHFFFAOYSA-N -1 3 320.276 3.009 20 5 DGBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001651355692 1195448976 /nfs/dbraw/zinc/44/89/76/1195448976.db2.gz IXDWLYOJKXQVNI-MRVPVSSYSA-N -1 3 300.274 3.010 20 5 DGBDHM O=c1[n-]ccc(NCCc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001655235619 1195894665 /nfs/dbraw/zinc/89/46/65/1195894665.db2.gz DIUJSEUDBIRNDR-UHFFFAOYSA-N -1 3 311.700 3.143 20 5 DGBDHM COc1cccc2cc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])cnc21 ZINC001655657478 1195946110 /nfs/dbraw/zinc/94/61/10/1195946110.db2.gz GDSZMIJEQDHVQQ-UHFFFAOYSA-N -1 3 313.269 3.045 20 5 DGBDHM