smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc2nc3c4cccnc4c(=O)cc-3oc2c1C 36475994 WMJZRISUFCVVOE-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF Cc1oc(-c2nc3c(C)c(F)ccc3[nH]2)cc1[N+](=O)[O-] 587268682 JCOFZQQEQXENHR-UHFFFAOYSA-N 275.239 3.487 5 1 CGBF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1ccc([N+](=O)[O-])n1 587631367 KFGLGSUQJHWWGF-UHFFFAOYSA-N 294.673 3.363 5 1 CGBF COc1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587269559 FVDIMJLRUJJPFG-UHFFFAOYSA-N 297.314 3.265 5 1 CGBF Nc1nc(N)c2c(ccc3cc4ccccc4cc32)n1 14968191 YVAYNEAKOCZBOL-UHFFFAOYSA-N 260.300 3.101 5 1 CGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\Cc1ccccc1 102701287 WBADSTOPZUIVRP-SAPNQHFASA-N 296.282 3.148 5 1 CGBF Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C 587646913 AOLFKYDCGXGKKP-UHFFFAOYSA-N 270.292 3.093 5 1 CGBF O=[N+]([O-])c1ccc2ncc(-c3ccccc3)nc2c1 13756093 HASZECUYNSLBOB-UHFFFAOYSA-N 251.245 3.205 5 1 CGBF CC(C)[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587258408 AOEDUCPJEZGREK-LBPRGKRZSA-N 291.358 3.315 5 1 CGBF O=[N+]([O-])c1nonc1Oc1ccc(Cl)c(Cl)c1 82053334 FVLGTCIBOVGLSD-UHFFFAOYSA-N 276.035 3.077 5 1 CGBF CNc1nc2cc3ccccc3cc2n2c(C)cnc12 28704434 UOQMKZIYNRHZEF-UHFFFAOYSA-N 262.316 3.386 5 1 CGBF O=S(=O)(O)Oc1cccc2c1ccc1ccccc12 31707152 KSLTXOSGWUKDQR-UHFFFAOYSA-N 274.297 3.175 5 1 CGBF in-vitro O=[N+]([O-])c1cc(Cl)cc2cc(Cl)c(O)nc12 1857578144 GZHYDUGCSYGWHK-UHFFFAOYSA-N 259.048 3.155 5 1 CGBF Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2356851629 NSVAVOSVRIFNMF-UHFFFAOYSA-N 285.259 3.256 5 1 CGBF O=[N+]([O-])c1cccc(-c2cn3ccsc3n2)c1F 73140354 BARJFXHDFXHHMY-UHFFFAOYSA-N 263.253 3.110 5 1 CGBF COc1ccc2ncc3cc4c(cc3c2c1)OCO4 95581186 UPYHVBBCFJUKCC-UHFFFAOYSA-N 253.257 3.125 5 1 CGBF O=[N+]([O-])c1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Cl 587089014 HVSHLWSAZJHOEL-UHFFFAOYSA-N 297.595 3.481 5 1 CGBF CN(C)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 103190788 JGKXQXSCLBSLTA-UHFFFAOYSA-N 293.323 3.183 5 1 CGBF COc1ccc2c(c1)[nH]c1c2cc[n+]2nc(C)c(C)cc12 26577935 FPZVYLTVTLKSTK-UHFFFAOYSA-O 278.335 3.080 5 1 CGBF CNc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 103190791 HVXOISZXNUGKMO-UHFFFAOYSA-N 279.296 3.159 5 1 CGBF O=C(O)c1cc2c(ccc3oc4ccccc4c32)oc1=O 82150467 CETRFGDVOGFQBQ-UHFFFAOYSA-N 280.235 3.391 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587645352 RLUCJBQKTWBQGJ-UHFFFAOYSA-N 272.182 3.130 5 1 CGBF O=[N+]([O-])c1cc(-c2cc(F)ccc2[N+](=O)[O-])cs1 103208393 WFEJTZCKNNMJDV-UHFFFAOYSA-N 268.225 3.371 5 1 CGBF Cc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1C 587273344 HALDGLWZSNYOIP-JTQLQIEISA-N 299.334 3.088 5 1 CGBF CSCC(C)(C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586968663 HDQFXLSCYUGDCQ-UHFFFAOYSA-N 279.365 3.420 5 1 CGBF COc1ccc2ncc3cc(OC)c(OC)cc3c2c1 95584833 YAMJYOKBCDFCKM-UHFFFAOYSA-N 269.300 3.414 5 1 CGBF COc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 14778658 XDYUXZHVWGROBP-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF c1ccc2c(c1)ccc1c(N3CCOCC3)nccc12 13797065 LWEHXNPEXMDIRY-UHFFFAOYSA-N 264.328 3.225 5 1 CGBF C[C@@H](c1ccccc1)[C@H]1OC[C@H](C[N+]2(C)CCCCC2)O1 4185223 JGEAUUUFVBZFSN-SZMVWBNQSA-N 290.427 3.162 5 1 CGBF COc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1F 587268666 ISFNRCUIYHYNFS-UHFFFAOYSA-N 291.238 3.187 5 1 CGBF Cc1sc2c(c1C)CCN[C@@H]2c1ccc([N+](=O)[O-])o1 963035220 ZYFDYGMFCCAAGX-GFCCVEGCSA-N 278.333 3.101 5 1 CGBF Cc1ccc(C)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587274563 QAMBSARZWINVQJ-NSHDSACASA-N 299.334 3.088 5 1 CGBF Nc1nc2cc(O)ccc2n2cc3c(F)cccc3c12 203384617 HIGXPJTZQHKUND-UHFFFAOYSA-N 267.263 3.068 5 1 CGBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3ccco3)nc12 1857566912 XSXHMCQLWCMBTC-ONEGZZNKSA-N 289.272 3.069 5 1 CGBF Cc1cc(O)cc2oc3cc(Cl)cc(O)c3c(=O)c12 1857752336 POPWESKDPILWQT-UHFFFAOYSA-N 276.675 3.319 5 1 CGBF Cc1oc(-c2nc3nc(Cl)ccc3[nH]2)cc1[N+](=O)[O-] 587268821 LFJINPWJJKTGLK-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF O=c1c2ccc(F)cc2oc2cc(Cn3ccnc3)ccc12 1857641676 CZHHMOAFAOVQNV-UHFFFAOYSA-N 294.285 3.330 5 1 CGBF CCCSc1nnc(Cc2cccc([N+](=O)[O-])c2)o1 82155230 BRCUOTQDAGXDEY-UHFFFAOYSA-N 279.321 3.071 5 1 CGBF C[C@H]1CCCC[N@+]1(C)CCCOC(=O)c1ccccc1 299810697 WSVYVKXJAAODMB-MAUKXSAKSA-N 276.400 3.253 5 1 CGBF Cc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1C 587267994 VGENZHDIYFRXJB-LLVKDONJSA-N 299.334 3.202 5 1 CGBF Cc1cccc2c1ccc1cc([C@@H](C)CO)c(=O)oc12 1857569132 ZIFLXJYQLBIOPG-NSHDSACASA-N 268.312 3.350 5 1 CGBF O=c1[nH]c2cc3cccnc3c(Cl)c2nc1C(F)(F)F 1661826 QQLLYDCHFHTYHQ-UHFFFAOYSA-N 299.639 3.144 5 1 CGBF Cc1cc2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c(C)n1 587269897 ISHZZDOJUFRARW-UHFFFAOYSA-N 296.330 3.268 5 1 CGBF COc1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587268726 KIDLBGXRWAUMMW-UHFFFAOYSA-N 273.248 3.048 5 1 CGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/Cc1ccccc1 101699495 WBADSTOPZUIVRP-VKAVYKQESA-N 296.282 3.148 5 1 CGBF Cc1cc2[nH]c(C(F)(F)C(F)F)nc2cc1[N+](=O)[O-] 587089425 RAFNCACWFUSROF-UHFFFAOYSA-N 277.177 3.136 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccnc1 587649047 OLXZNXQSBWGAMR-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF O=[N+]([O-])c1c[nH]c(-c2nnc(C3(c4ccccc4)CC3)o2)c1 103287101 PNTWMYPSQGQENH-UHFFFAOYSA-N 296.286 3.053 5 1 CGBF Cc1ccc([N+](=O)[O-])cc1Nc1nc(-c2cccnc2)c[nH]1 40406052 DWOGHMRUJNMJPM-UHFFFAOYSA-N 295.302 3.432 5 1 CGBF CCN1C(=O)c2cccnc2Oc2cc(C)cc([N+](=O)[O-])c21 6385119 JMMPZYQZVRRZDH-UHFFFAOYSA-N 299.286 3.071 5 1 CGBF O=[N+]([O-])c1ccc2nc(COc3ccccc3)oc2c1 28815041 SUURIUWWKIPTMY-UHFFFAOYSA-N 270.244 3.315 5 1 CGBF COc1cc2c3c(ccc4cc(O)c(OC)c(c43)[C@H](O)O2)c1 238749675 IXYXOSNVZJQGIR-QGZVFWFLSA-N 298.294 3.099 5 1 CGBF CC(C)(O)[C@H]1Cc2ccc3c(=O)c4ccccc4oc3c2O1 13382734 OKZADUDRUAZXJS-CQSZACIVSA-N 296.322 3.021 5 1 CGBF O=[N+]([O-])c1cccc(Nc2nc(-c3cccnc3)c[nH]2)c1 40409257 VFNYHVFCZSEFNV-UHFFFAOYSA-N 281.275 3.124 5 1 CGBF C[C@H]1CCCC[N+]1(C)CCCOC(=O)c1ccccc1 42988560 WSVYVKXJAAODMB-BUSXIPJBSA-N 276.400 3.253 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccn1 587648702 KDUHQTIBDMWSDH-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF COc1cc(OCc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] 587263277 PWFTTYHFNXLLRT-UHFFFAOYSA-N 299.286 3.059 5 1 CGBF COc1cc2c(cc1OCc1ccccc1)CC[N+](C)(C)C2 1772623642 MQVYCDQWXKDMFR-UHFFFAOYSA-N 298.406 3.407 5 1 CGBF O=[N+]([O-])c1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1Cl 586897916 FFRPAUUPVAODMC-OCAPTIKFSA-N 295.726 3.143 5 1 CGBF C=Cc1c(CO)ccc2ccc3oc(=O)ccc3c12 14492288 SWXQUDDKNYJBBV-UHFFFAOYSA-N 252.269 3.082 5 1 CGBF CNc1nc2cc3ccccc3cc2c2c1ncn2C 28704440 ODFIBXFJCDPCHA-UHFFFAOYSA-N 262.316 3.316 5 1 CGBF O=C(O)c1cccc2c(O)c(-c3ccc([N+](=O)[O-])cc3)[nH]c12 587639001 YAXGCPPTMBAHLO-UHFFFAOYSA-N 298.254 3.147 5 1 CGBF O=c1c2cccc(Cl)c2nc2c(Cl)cccn12 1857749814 DPOVJGFNGGNCJN-UHFFFAOYSA-N 265.099 3.155 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccnc1 587646487 BUPHYYOQFVIXKO-UHFFFAOYSA-N 296.286 3.032 5 1 CGBF c1ccc2nc3cc4[nH]c([C@@H]5CCOC5)nc4cc3nc2c1 586910762 AQWDXWQHCOFIEA-SNVBAGLBSA-N 290.326 3.163 5 1 CGBF O=C(O)CCc1cccc(-c2cccc([N+](=O)[O-])c2)c1 230838281 JATKJGPSWUEPDZ-UHFFFAOYSA-N 271.272 3.279 5 1 CGBF in-vitro Cc1cc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2cc1[N+](=O)[O-] 587967342 NOURJUUMRYMNCT-HBNTYKKESA-N 269.304 3.459 5 1 CGBF O=[N+]([O-])c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2O)cc1 587647992 XJMAPWQDLOSBKR-UHFFFAOYSA-N 299.242 3.357 5 1 CGBF O=[N+]([O-])c1cccc2nc(-c3ccc(O)cc3Cl)[nH]c12 587053897 JHIXJKPDQGLRIC-UHFFFAOYSA-N 289.678 3.497 5 1 CGBF Cn1c2nc(-c3ccccc3)nc(=O)c-2cc2ccccc21 28642366 OBMCJWMPRPCDFM-UHFFFAOYSA-N 287.322 3.100 5 1 CGBF C[C@H](F)[C@@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587125587 SLUZBDDCFWQRAP-GZMMTYOYSA-N 295.321 3.017 5 1 CGBF O=[N+]([O-])c1ccc(N[C@H]2OCCc3ccccc32)cc1 1857647445 CAOPAWBDSSWYOF-HNNXBMFYSA-N 270.288 3.278 5 1 CGBF C[C@H](C(=O)O)c1cccc2c(=O)c3ccccc3oc12 26724431 BCOAPTQZEDIQFI-VIFPVBQESA-N 268.268 3.134 5 1 CGBF O=[N+]([O-])c1cccc(-c2nccc3cccnc23)c1 13805279 OMRFTRYPQRVACI-UHFFFAOYSA-N 251.245 3.205 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3cc(Cl)ccc3oc12 27883856 XYTYRVPEPTVTIR-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF O=[N+]([O-])c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586896936 MJPLUIWMYMNWRI-UHFFFAOYSA-N 295.298 3.257 5 1 CGBF O=C1c2ncccc2-c2nc3ccccc3c3ccnc1c23 8956 ZDXOEMYOODQSEU-UHFFFAOYSA-N 283.290 3.389 5 1 CGBF CN1C(=O)c2cc3c(c4c2c1cc1c(O)cccc14)OCO3 45366838 YGGZYLOHVWRYSA-UHFFFAOYSA-N 293.278 3.017 5 1 CGBF Cc1c([C@@H](C)CN(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646902 MTUJELGCHPRDOW-VIFPVBQESA-N 261.325 3.050 5 1 CGBF O=C1CCC[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586885233 ZCAIDCIZLQUZRU-QMMMGPOBSA-N 291.282 3.227 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nnc2ccccc21 587647629 KTQTZDAPXGJKJG-UHFFFAOYSA-N 293.286 3.118 5 1 CGBF Cn1c(=O)c2ccccc2c2ccc3cccnc3c21 53243852 YRIFJPHWCNVBIJ-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF Cc1cc(O)cc2oc3c(Cl)c(O)cc(O)c3c(=O)c12 6484171 BKLLYUDFOSSKSW-UHFFFAOYSA-N 292.674 3.025 5 1 CGBF biogenic O=[N+]([O-])c1ccccc1NCc1ccc(O)c2ncccc12 36381415 OZOHLTIUFJTDOA-UHFFFAOYSA-N 295.298 3.461 5 1 CGBF COc1cc2c(cc1OC)[C@@H](CC(C)C)[N+](C)(C)CC2 40575992 NJITUFVIVRZSNR-OAHLLOKOSA-N 278.416 3.424 5 1 CGBF Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1 27561156 AOVBFFBUQDDQOZ-UHFFFAOYSA-N 262.268 3.149 5 1 CGBF O=[N+]([O-])c1c(Sc2ccccc2)ccc2nonc12 95597456 YXTIPQZGCOAFKW-UHFFFAOYSA-N 273.273 3.282 5 1 CGBF CN(C)C1=N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccccc2C1 26576033 FOJSNOUIGCFVLV-QGZVFWFLSA-N 295.342 3.200 5 1 CGBF C[C@@H]1O[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586917698 VITVEBSDZXXIGD-VXJOIVPMSA-N 276.299 3.119 5 1 CGBF C[N+]1(C)CCCC[C@@H]1CCC(=O)c1ccc(F)cc1 13554235 SQZRWTSJUPZFND-OAHLLOKOSA-N 264.364 3.418 5 1 CGBF Cc1cc2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2cc1[N+](=O)[O-] 586917148 MVDUQUGGOHEOKL-SDBXPKJASA-N 275.308 3.267 5 1 CGBF CC[P@](=O)(OCCF)Oc1ccc([N+](=O)[O-])cc1 95603247 FFISJZWGESQECX-SFHVURJKSA-N 277.188 3.173 5 1 CGBF O=[N+]([O-])c1ccc(C2=NCCNC(c3ccccc3)=C2)cc1 299853460 KQGYBSBTYQYABP-UHFFFAOYSA-N 293.326 3.028 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090246 OJRASEMKPGXPCC-MRVPVSSYSA-N 297.595 3.395 5 1 CGBF CC(C)(C)NC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 137387246 FANMBZNFTPVOSX-UHFFFAOYSA-N 294.336 3.125 5 1 CGBF COc1cc(OC)c2cc3c(=O)cc(C)oc3cc2c1 1911578606 SOOQCBOECURZBN-UHFFFAOYSA-N 270.284 3.272 5 1 CGBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/c1ccccc1 101490667 OFQOLACGZVDJDA-SSZFMOIBSA-N 282.255 3.279 5 1 CGBF Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587564352 JJZIDFAKTPGJHM-UHFFFAOYSA-N 298.302 3.062 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587174967 UDAAWPVXMNOWLX-ZDUSSCGKSA-N 299.261 3.286 5 1 CGBF CCC[C@H]1c2cc(OC)c(OC)cc2CC[N+]1(C)C 40575899 NOYZRFWDPBUPNM-AWEZNQCLSA-N 264.389 3.178 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090248 OJRASEMKPGXPCC-QMMMGPOBSA-N 297.595 3.395 5 1 CGBF Cc1cncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587278892 ANHWAHGGNIBCLM-UHFFFAOYSA-N 282.255 3.275 5 1 CGBF CNC(=O)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646747 JSQFCAHOEJAIIZ-UHFFFAOYSA-N 295.298 3.103 5 1 CGBF COc1ccc2c(c1)c1c3cc[n+](C)cc3ccc1n2C 28762094 SEWJJNHSQBDALS-UHFFFAOYSA-N 277.347 3.318 5 1 CGBF O=c1cc2sc3ccccc3nc-2c2cccnc12 27562338 XVULXICEZDPLLK-UHFFFAOYSA-N 264.309 3.310 5 1 CGBF CCC[C@@H]1c2cc(OC)c(OC)cc2CC[N+]1(C)C 40575897 NOYZRFWDPBUPNM-CQSZACIVSA-N 264.389 3.178 5 1 CGBF COc1cccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)c1 98084174 SVAWQIPJZVHKCQ-MRXNPFEDSA-N 298.298 3.469 5 1 CGBF Cc1c(-c2nc3ccnc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587260978 NUIWIOQHQYRTMQ-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF O=C(O)c1ccc2c(=O)c3cccc(F)c3ccc2c1 39247102 ZTEZRDAWRDVIBT-UHFFFAOYSA-N 268.243 3.191 5 1 CGBF CC(=O)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587648313 CFCFRKHKESRHRP-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF CCN(CC)Cc1c(C)[nH]c2ccc([N+](=O)[O-])cc12 2178320127 JNBFCNDHTZOZEN-UHFFFAOYSA-N 261.325 3.226 5 1 CGBF C[C@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818399 IGWAJKGBDGKWEC-YFKPBYRVSA-N 274.198 3.148 5 1 CGBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(Cl)cc3)nc12 142890417 QRHYKIUNGKVMAX-UHFFFAOYSA-N 274.667 3.187 5 1 CGBF CC[C@H]1OCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586912969 POWXEPFCBWFUJV-BXKDBHETSA-N 275.308 3.144 5 1 CGBF Cc1cc(C)c2oc3cc(=O)c4ncccc4c-3nc2c1 36475976 RDAJRRHHEYSJTK-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF CCN(CC)C(=O)c1ccc2[nH]c(=O)c3ccccc3c2c1 169327713 GBBSKIDMNJEZCZ-UHFFFAOYSA-N 294.354 3.163 5 1 CGBF COC(=O)c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)c[nH]1 587648482 FLNYXLGRPAZIDP-UHFFFAOYSA-N 299.286 3.166 5 1 CGBF COc1c(O)cc2c3c(cc4ccccc4c13)N(OC)C2=O 13484722 LHSDJNRAZBFFLF-UHFFFAOYSA-N 295.294 3.229 5 1 CGBF in-vitro COc1cc2ccc3cccc(O)c3c2c(OC)c1O 14650835 ZRZLQDVGZXYWJD-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF COc1cccc2c1ccc1c(C(=O)O)cc3c(c12)OCO3 6019210 WNMKOPJJPJHXJX-UHFFFAOYSA-N 296.278 3.429 5 1 CGBF biogenic,in-vitro COc1cccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c12 27554837 ZTOFAHKDMYDWQZ-UHFFFAOYSA-N 297.266 3.377 5 1 CGBF COc1cccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1O 587787854 ZHJQJYMGXLACOB-UHFFFAOYSA-N 299.286 3.161 5 1 CGBF O=C(O)Cc1ccc(Cl)c2c(=O)c3ccccc3oc12 27874460 FGJYOOUVGGVOFJ-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF CCC1=CN(CC(=O)c2cccc([N+](=O)[O-])c2)[C](C)C=C1 2356855637 HQROYIDTXPUEIP-UHFFFAOYSA-N 285.323 3.495 5 1 CGBF O=C(O)c1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)CC2 29311846 VXEHXFMIAAOAEY-CQSZACIVSA-N 298.298 3.392 5 1 CGBF Cc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1C 587273345 HALDGLWZSNYOIP-SNVBAGLBSA-N 299.334 3.088 5 1 CGBF COc1cc2c(cc1OC)[C@H](CC(C)C)[N+](C)(C)CC2 40575994 NJITUFVIVRZSNR-HNNXBMFYSA-N 278.416 3.424 5 1 CGBF O=[N+]([O-])c1ccc(OCc2nc3ccccc3[nH]2)cc1F 587148210 FLACLKHTVXSFEH-UHFFFAOYSA-N 287.250 3.189 5 1 CGBF Cc1nc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cs1 587280578 KIWUBUDZBUCNQA-UHFFFAOYSA-N 288.284 3.337 5 1 CGBF CC[C@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586913763 SHMBDMZRFFHYMZ-ISVAXAHUSA-N 293.298 3.283 5 1 CGBF O=[N+]([O-])c1cc2nc(COC(F)(F)F)[nH]c2cc1Cl 587125160 QQXCRABZLQJGCG-UHFFFAOYSA-N 295.604 3.161 5 1 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)c1 261171376 TUHXLFZVXVMYDP-DJIMGWMZSA-N 295.342 3.265 5 1 CGBF in-vitro CC(C)C[C@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586900679 JCXVYRFLBZLGHU-NSHDSACASA-N 283.715 3.204 5 1 CGBF O=[N+]([O-])c1ccc(C=Cc2ccccc2O)c([N+](=O)[O-])c1 2356838349 LIBPVNZICNFUQK-UHFFFAOYSA-N 286.243 3.379 5 1 CGBF Cc1cccc(-c2noc(C[C@@H]3C[N+]4(C)CCC3CC4)n2)c1 1857607237 CQPQRVQCDPBDFW-JERHATOGSA-N 298.410 3.074 5 1 CGBF O=[N+]([O-])c1ccc(-c2nnc(N3CCCCC3)s2)s1 28520538 ODVYESRGOLZRJM-UHFFFAOYSA-N 296.377 3.165 5 1 CGBF C[C@@H](c1ccccc1)[C@@H]1OC[C@H](C[N+]2(C)CCCCC2)O1 4185218 JGEAUUUFVBZFSN-RYQLBKOJSA-N 290.427 3.162 5 1 CGBF O=c1c2ccccc2[nH]c2cc(C(F)(F)F)cc(O)c12 87698034 AAZCUMTYLCQAKK-UHFFFAOYSA-N 279.217 3.406 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 587160561 WGEMBMNPSYAQRZ-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF O=C(O)c1ccc2c(=O)c3ccccc3ccc2c1 39247100 LBEXHSXHRMXXGP-UHFFFAOYSA-N 250.253 3.051 5 1 CGBF CCc1nnc2sc3cc4ccccc4c-3nn12 72116841 QFQCJQFHDZDZNE-UHFFFAOYSA-N 254.318 3.006 5 1 CGBF COc1ccc2c(c1)CC[N@+]1(C)CCc3ccccc3[C@@H]21 253778432 ICPCBSSZIHJQET-PMACEKPBSA-N 280.391 3.343 5 1 CGBF C=Cc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 586881498 MWJKVVYRFFRHDO-UHFFFAOYSA-N 266.260 3.176 5 1 CGBF COc1cccc2c1c(OC)cc1cc(C)c(=O)oc12 84704002 NOOJRVCPCZRPJD-UHFFFAOYSA-N 270.284 3.272 5 1 CGBF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cc([N+](=O)[O-])cn1 587631817 VUUBZTYXBRHNHW-UHFFFAOYSA-N 294.673 3.363 5 1 CGBF CC[C@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586908724 CYDNCNUDNMXTHL-IINYFYTJSA-N 289.335 3.452 5 1 CGBF CCOc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1C 587780626 WHKYJNUTTUILLA-UHFFFAOYSA-N 298.302 3.240 5 1 CGBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(CO)cc3)on2)cc1 1772602805 BHQSLBSLQVVRLF-UHFFFAOYSA-N 296.282 3.409 5 1 CGBF O=NCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587191275 XDUYQMUPQFWWBS-UHFFFAOYSA-N 282.259 3.405 5 1 CGBF O=[N+]([O-])c1cccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587133894 GVSWMLHSDMTRTF-UHFFFAOYSA-N 291.213 3.122 5 1 CGBF Cc1ccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1N 587250161 JBDYSLGOVOZQGZ-UHFFFAOYSA-N 296.330 3.147 5 1 CGBF C[N@+]12CCc3ccccc3[C@@H]1Cc1ccccc1C2 263614939 YXEKXCPIKGSIDD-RBUKOAKNSA-N 250.365 3.487 5 1 CGBF in-vitro CCn1c(=O)c2c3ccc(O)cc3oc2c2ccc(O)cc21 1636373 YLUDELKUKHQCMC-UHFFFAOYSA-N 295.294 3.332 5 1 CGBF COC(=O)c1[nH]cc2c3cccnc3c3ncccc3c12 7089611 OKEYWBVYYQNFIT-UHFFFAOYSA-N 277.283 3.051 5 1 CGBF O=C(O)c1cc2c(ccc3c4ccccc4[nH]c23)oc1=O 96910329 IVSBKPZOUQONEV-UHFFFAOYSA-N 279.251 3.126 5 1 CGBF Cc1c(-c2nc3c(Cl)ccnc3[nH]2)cccc1[N+](=O)[O-] 587260692 AIHDLWVAKUULJY-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF CN(C)CCNC(=O)c1cccc2cc3ccccc3cc12 5957839 LXGUWGAZTOPWGR-UHFFFAOYSA-N 292.382 3.284 5 1 CGBF Cc1cccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C 587564281 QKCQNFDEUROKPT-UHFFFAOYSA-N 298.302 3.062 5 1 CGBF O=c1c2cc(O)ccc2oc2ccc(Br)cc12 73195626 URTCJAGAAPBEKT-UHFFFAOYSA-N 291.100 3.414 5 1 CGBF CCCCCC(=O)Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-] 49046848 BIXFRKNHPIGXRO-UHFFFAOYSA-N 287.297 3.083 5 1 CGBF COc1ccc2cc(C(F)(F)F)cc([N+](=O)[O-])c2n1 1857541566 FWVHBWKPLGYQNS-UHFFFAOYSA-N 272.182 3.170 5 1 CGBF CC(C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818396 TWEWMZNGQPQTKG-UHFFFAOYSA-N 288.225 3.322 5 1 CGBF Nc1ccc([N+](=O)[O-])cc1-c1cc2c3c(cccc3n1)CC2 587210675 DMIHJVWJHYLXAD-UHFFFAOYSA-N 291.310 3.491 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174966 UDAAWPVXMNOWLX-CYBMUJFWSA-N 299.261 3.286 5 1 CGBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 13783311 KVDHVTQKKLVMJD-PBWFPOADSA-O 299.394 3.095 5 1 CGBF C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C=CCCC1 238745602 ZBWDXRYBOKLOHH-CQSZACIVSA-N 261.277 3.250 5 1 CGBF Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587251867 PYIAIVWXPCXULR-ZZXKWVIFSA-N 298.277 3.363 5 1 CGBF Cc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1C 169322641 XYUUQOWWJCQODB-UHFFFAOYSA-N 268.268 3.261 5 1 CGBF O=c1[nH]c(Nc2ccc([N+](=O)[O-])cc2)cc2ccccc12 4095306 BDPTZRDQXNDTMF-UHFFFAOYSA-N 281.271 3.180 5 1 CGBF NCCCNCc1c2ccccc2cc2ccccc12 21994732 ZFRXQRVAZLZCBC-UHFFFAOYSA-N 264.372 3.431 5 1 CGBF CN1CCc2ccc3ncc4cccc5c4c3c2[C@H]1C5 27199038 INDNLBUVGBVRHI-OAHLLOKOSA-N 260.340 3.473 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ncccc1C(=O)O 587648863 NFVGHEKFGIWIHN-UHFFFAOYSA-N 297.270 3.145 5 1 CGBF C[C@@H](F)[C@@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587125592 SLUZBDDCFWQRAP-LDYMZIIASA-N 295.321 3.017 5 1 CGBF O=C(O)c1ccc([N+](=O)[O-])c(Cc2ccc3cc[nH]c3c2)c1 95575354 SQBGUBTYFZXGQR-UHFFFAOYSA-N 296.282 3.365 5 1 CGBF Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2n1 587261066 RLOGLSBWEGYBND-UHFFFAOYSA-N 268.276 3.150 5 1 CGBF O=[N+]([O-])c1ccc(F)cc1-c1ccsc1[N+](=O)[O-] 103207046 AJELLTLNADVUES-UHFFFAOYSA-N 268.225 3.371 5 1 CGBF Cc1cc(-n2cc([N+](=O)[O-])nc2C)ccc1Br 95571911 VRHJGMBUIYTEBR-UHFFFAOYSA-N 296.124 3.160 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 587160392 QJLHYBMKFCTFHV-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF Cc1ncn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1C 587647872 SJYBVWLXBUMVLM-UHFFFAOYSA-N 270.292 3.187 5 1 CGBF COc1ccc(OC)c2c1[nH]c(=N)c1c3ccccc3cn21 299863933 QJICGQKZBRGFHV-UHFFFAOYSA-N 293.326 3.070 5 1 CGBF Cc1cccc2nc(NC3CCCCC3)c([N+](=O)[O-])n12 103222305 QCMDJVRMGHELLX-UHFFFAOYSA-N 274.324 3.296 5 1 CGBF CN1CCc2ccc3c(=O)oc4cccc5c4c3c2[C@H]1C5 27201394 HJZYUBCMOFCAGG-CYBMUJFWSA-N 277.323 3.031 5 1 CGBF C[C@@H]1C[C@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N+](C)([O-])[C@@H]2C1 238745421 CJAWLAWAWJGSJC-IEPSNVFLSA-N 294.439 3.281 5 1 CGBF CC[N+]1(CC)CCN(c2ccc(Br)cc2)CC1 653787504 YWEJPPBSFOQMBV-UHFFFAOYSA-N 298.248 3.126 5 1 CGBF O=CNc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646519 DTOROVFQNYBADO-UHFFFAOYSA-N 281.271 3.311 5 1 CGBF O=S(=O)(O)Oc1ccc2ccc3ccccc3c2c1 13545450 DFCZQECVFFVKDE-UHFFFAOYSA-N 274.297 3.175 5 1 CGBF in-vitro O=c1cc(CO)c2cc3c(cc2o1)oc1ccccc13 3808304 DCXCMYXDFTYKIQ-UHFFFAOYSA-N 266.252 3.185 5 1 CGBF O=c1c2ccccc2[nH]c2c3nc4ccccc4c-3ccn12 142166928 YSBDHHSWPXFVSR-UHFFFAOYSA-N 285.306 3.434 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177849 CGPGZIWTZGZZGV-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF CC(C)n1c2c[c-](-c3cccc([N+](=O)[O-])c3)ccc-2nc1=O 169717096 ZZJYSWFSESMOQN-UHFFFAOYSA-N 296.306 3.223 5 1 CGBF Cc1cccc2oc3cc(=O)c4ncccc4c-3nc12 27563998 MSMRCJQNVPASJT-UHFFFAOYSA-N 262.268 3.149 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccsc3)nc2c1 587026674 WQGLTMQEPWKAEO-UPHRSURJSA-N 272.289 3.098 5 1 CGBF Cc1nc2ccc3c(Br)cccc3c2c(=O)[nH]1 26385959 CRURZVATAJZKIP-UHFFFAOYSA-N 289.132 3.147 5 1 CGBF O=c1cc(N2CCSC2)oc2c1ccc1ccccc12 13676964 HABOULXYTONRBZ-UHFFFAOYSA-N 283.352 3.457 5 1 CGBF O=[N+]([O-])c1ccc2c(NCc3ccccc3)ncnc2c1 13743116 LFJDGEHGHHXGBE-UHFFFAOYSA-N 280.287 3.150 5 1 CGBF COc1cc(C)c2c(=O)c3ccccc3n(C)c2c1 5552596 WGQAVCZHWJUPJR-UHFFFAOYSA-N 253.301 3.009 5 1 CGBF O=c1oc2ccccc2c2nc3c(cc12)CCCC3 103272128 YMMIJLOZCVOKKL-UHFFFAOYSA-N 251.285 3.220 5 1 CGBF O=[N+]([O-])c1cccc(Nc2nccc(-c3cccnc3)n2)c1 29552003 HFQHGGZJZTXYKH-UHFFFAOYSA-N 293.286 3.190 5 1 CGBF N=C(N)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1 45387263 QRZVPIXXSVGAOR-UHFFFAOYSA-N 298.327 3.156 5 1 CGBF CCN(C)CCOc1cnc2cc3ccncc3cc2c1 26148286 SRMDEJOTVZPQIL-UHFFFAOYSA-N 281.359 3.114 5 1 CGBF O=[N+]([O-])c1ccc(C2=NCCCN=C2c2ccccc2)cc1 45497250 NHOSNGLVIAOBJV-UHFFFAOYSA-N 293.326 3.277 5 1 CGBF Cc1c(C)c2c(c(C)c1O)[C@H](C[N+](C)(C)C)C(C)(C)O2 3798020 PRWWNIHPPMMWDQ-ZDUSSCGKSA-O 278.416 3.278 5 1 CGBF CCCSc1nnc(COc2cccc([N+](=O)[O-])c2)o1 73197451 OEXZTSHEVUUYRC-UHFFFAOYSA-N 295.320 3.059 5 1 CGBF C[N+]12C=C(c3ccc4ncccc4c3)C(CC1)CC2 653689454 XGDUBOIOOCNYRR-UHFFFAOYSA-N 251.353 3.446 5 1 CGBF N[C]1SC2=C(CCCC2)N1Cc1ccccc1[N+](=O)[O-] 2356829215 IVYPJSOXPLSQII-UHFFFAOYSA-N 290.368 3.335 5 1 CGBF O=[N+]([O-])c1cccnc1-c1cc2c3c(cccc3n1)CC2 587211492 RPHPANJODRDXRI-UHFFFAOYSA-N 277.283 3.304 5 1 CGBF O=[N+]([O-])c1cnc2c(c1)Sc1cccc(F)c1N2 1857633413 FTQZLCBGRLKUNN-UHFFFAOYSA-N 263.253 3.337 5 1 CGBF Cc1ccc(C)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267884 TWEUSEAZXTXIKN-LLVKDONJSA-N 299.334 3.202 5 1 CGBF Nc1c(O)cc(O)c2c(=O)c3cc4ccccc4cc3oc12 40918079 GBWNNBPTCPJWHV-UHFFFAOYSA-N 293.278 3.093 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905485 QPLSLBOPUZRHCQ-UHFFFAOYSA-N 269.260 3.220 5 1 CGBF C[n+]1c2ccc(C(N)=O)cc2cc2sc3ccccc3c21 28642120 KVVSCTMZDFOWDG-UHFFFAOYSA-O 293.371 3.131 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586887036 FEVQNTSFLRFQEI-DJQAVVSRSA-N 298.346 3.334 5 1 CGBF Cc1cc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c(C)n1 587160011 BTQBHXCTZFXRRK-UHFFFAOYSA-N 286.266 3.289 5 1 CGBF Cc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1C 587267743 PSASYMWKKQZZBQ-NSHDSACASA-N 299.334 3.202 5 1 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3N4)c2)c1 29123213 TUHXLFZVXVMYDP-OIISXLGYSA-N 295.342 3.265 5 1 CGBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccccc2[nH]1 587159595 TZVRITWNDMMNPP-UHFFFAOYSA-N 287.250 3.189 5 1 CGBF Cc1ncsc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280339 ASSODUGCSNKXKJ-UHFFFAOYSA-N 288.284 3.337 5 1 CGBF C[C@H]1CCC(=O)N1C1=CC(C)(C)c2ccc([N+](=O)[O-])cc21 10430 WCKFNZINQMJONC-JTQLQIEISA-N 286.331 3.238 5 1 CGBF O=C1c2scnc2-c2nccc3c2c1nc1ccccc13 1651531 SABDUJMZZVLRAS-UHFFFAOYSA-N 289.319 3.451 5 1 CGBF biogenic O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1F 45352984 PPCPBEOXHRRPRQ-UHFFFAOYSA-N 291.238 3.084 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c(-c3coc4cc(F)ccc34)nc2c1 587175974 YVZCNMVQAHUDBI-UHFFFAOYSA-N 298.233 3.418 5 1 CGBF CN1CCN(c2ccnc3c2ccc2ccccc23)CC1 13797062 ZPWPYEUZRQIQFW-UHFFFAOYSA-N 277.371 3.140 5 1 CGBF O=C1O[C@H](C=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 2356857223 TVJIWJQSYXWXMR-OAHLLOKOSA-N 295.294 3.390 5 1 CGBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccnc3[nH]2)c1F 587139927 TVMIAFWLKQPNDR-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF COc1cc(O)c2c(ccc3cc(O)cc(O)c32)c1 1772577976 IQNTVFCKFSVGEO-UHFFFAOYSA-N 256.257 3.118 5 1 CGBF O=C(c1ccoc1)c1coc2cc([N+](=O)[O-])ccc12 587279267 FRMFNPQJJFFRHJ-UHFFFAOYSA-N 257.201 3.165 5 1 CGBF COc1ccc2[nH]c3c([N+](=O)[O-])cc4[nH]ncc4c3c2c1 96272478 MXGVGSLEDSLTIC-UHFFFAOYSA-N 282.259 3.114 5 1 CGBF COc1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160388 QETIZZBIXSNIKL-UHFFFAOYSA-N 287.250 3.286 5 1 CGBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1F 587968146 VMRHBMACOHXNJN-DJLDLDEBSA-N 273.267 3.290 5 1 CGBF Cc1c(-c2nc3ccc(Cl)nc3[nH]2)cccc1[N+](=O)[O-] 587260899 LFZOVAFTQTZUNB-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF O=C1CCC[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586883982 FTHDJSMVZATSTB-SECBINFHSA-N 273.292 3.088 5 1 CGBF O=c1cc2oc3ccc(Cl)cc3nc-2c2cccnc12 27564000 KXEILLGTAWSGAW-UHFFFAOYSA-N 282.686 3.494 5 1 CGBF Cc1oc(-c2nc3c(F)c(F)ccc3[nH]2)cc1[N+](=O)[O-] 587268499 ATQXNCKBKIXDCD-UHFFFAOYSA-N 279.202 3.318 5 1 CGBF CCn1c2cc(Cl)ccc2c(=O)c2c(O)cc(O)cc21 26255088 XSBNLXUUVDSLPN-UHFFFAOYSA-N 289.718 3.239 5 1 CGBF O=C(O)Cc1cccc2c(O)c3nc4ccccc4c-3oc12 100901353 WFQRLMYJTYKIJJ-UHFFFAOYSA-N 293.278 3.419 5 1 CGBF Nc1ccc(Sc2ccc(F)cc2[N+](=O)[O-])cc1 299836799 NVQZYJSNJWKHFY-UHFFFAOYSA-N 264.281 3.467 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccsc3)nc2c1 587026673 WQGLTMQEPWKAEO-OWOJBTEDSA-N 272.289 3.098 5 1 CGBF CCc1nccn1-c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587647603 JWCMPDHOEXOXMF-UHFFFAOYSA-N 270.292 3.133 5 1 CGBF O=[N+]([O-])c1cc(Br)ccc1CN1[CH]C=CC=C1 2356851622 MFTHRXZEAHFOPA-UHFFFAOYSA-N 294.128 3.405 5 1 CGBF CC[C@H](CO)Nc1cc(=O)c2ccc3ccccc3c2o1 140333656 FGKQSKYSWGGZLD-GFCCVEGCSA-N 283.327 3.129 5 1 CGBF COc1ccc(OC)c2c1ncc1c2nc2sccn21 5889118 HKULQIRJVISMAL-UHFFFAOYSA-N 285.328 3.114 5 1 CGBF C[C@H](F)[C@@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587122278 CGQLHKTXSZDSOC-VXJOIVPMSA-N 295.321 3.017 5 1 CGBF O=[N+]([O-])c1ccc(Nc2nnc(-c3ccncc3)s2)cc1 28637464 BVQDQHVCLCJEMM-UHFFFAOYSA-N 299.315 3.252 5 1 CGBF Cc1ccc([N+](=O)[O-])c([C@]2(C)NCCc3ccc(O)cc32)c1 963329561 OOUXHLHIDPYDRP-QGZVFWFLSA-N 298.342 3.018 5 1 CGBF CCSC[C@](C)(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 28820646 FYCITTOPKBSQLK-ZDUSSCGKSA-N 280.349 3.037 5 1 CGBF CO[C@H](C)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28261169 KVNUHSSYATZGSW-SECBINFHSA-N 298.294 3.352 5 1 CGBF Cc1coc2ncnc(N(C)c3ccc([N+](=O)[O-])cc3)c12 1857651216 XPRKNURWZLOLSR-UHFFFAOYSA-N 284.275 3.207 5 1 CGBF Cc1cccc2nc3c4cccnc4c(=O)cc-3oc12 27561338 BSKAILWFGMOALG-UHFFFAOYSA-N 262.268 3.149 5 1 CGBF O=c1c2ccccc2nc2c3[nH]c4ccccc4c3ccn12 6117987 KLONOPPMRIDVGM-UHFFFAOYSA-N 285.306 3.482 5 1 CGBF biogenic C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2 253979292 KVDHVTQKKLVMJD-WDNDVIMCSA-O 299.394 3.095 5 1 CGBF COc1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587649107 QDKJUFMIJJLQDM-UHFFFAOYSA-N 269.260 3.147 5 1 CGBF COc1cc2c3c(cc4ccccc4c3c1O)N(C)C2=O 13484720 SXOOWJJLSWDXTQ-UHFFFAOYSA-N 279.295 3.297 5 1 CGBF biogenic,in-vitro OCCNc1nc2ccccc2c2[nH]c3ccccc3c12 45364131 BKCCPNSLLMMITP-UHFFFAOYSA-N 277.327 3.274 5 1 CGBF CC/C(C)=C(/N)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587647778 PLIOYGSAIHLGKI-RIYZIHGNSA-N 259.309 3.484 5 1 CGBF Cc1cccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)c1 98085470 XFDNIIZFVJHMAG-UHFFFAOYSA-N 294.314 3.459 5 1 CGBF Cc1nn(-c2c(C)[nH]c3cccc(F)c23)c(C)c1[N+](=O)[O-] 587635400 HLGWHYBGPDTZTK-UHFFFAOYSA-N 288.282 3.326 5 1 CGBF O=Nc1c2cccnc2n2nnc3ccc(Cl)cc3c12 200051729 NKVYTVUJRIQSCI-UHFFFAOYSA-N 283.678 3.482 5 1 CGBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Oc2ccccc21 103169427 HMHLDZDEZCGZRA-OAHLLOKOSA-N 269.256 3.301 5 1 CGBF O=[N+]([O-])c1c(C(F)(F)F)n[nH]c1-c1ccc(F)cc1F 13589604 MWWONINORNOFIX-UHFFFAOYSA-N 293.151 3.282 5 1 CGBF O=[N+]([O-])c1ccc(-c2cnc(NC3CCCC3)[nH]2)cc1 72112094 NHVFKSDFVKJNDD-UHFFFAOYSA-N 272.308 3.339 5 1 CGBF C[C@@H](C[C@H]1C[C@@H](C)C(=O)O1)[C@@H]1CCCC[N@@+]2([O-])CCC[C@@H]12 2356321462 PIGOWTVLTFOGSR-SRFBJZQXSA-N 295.423 3.241 5 1 CGBF O=[N+]([O-])c1cccc(CCc2nc3ccc(F)cc3[nH]2)c1 587269858 HXSCBZOSZUXTPY-UHFFFAOYSA-N 285.278 3.395 5 1 CGBF O=c1ccc2cc3c(oc4ccccc43)c(CO)c2o1 26749307 IUBGKMCZDSRRIO-UHFFFAOYSA-N 266.252 3.185 5 1 CGBF COc1cc2oc3c4ccc(O)cc4oc(=O)c3c2cc1O 26723720 ATSGDNORCPKOGR-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF N[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CC1 587255681 MTJBHLVEPWHSBX-MRXNPFEDSA-N 289.342 3.069 5 1 CGBF COc1cc2c[n+](C)c3ccc(Cl)cc3c2cc1OC 169349265 MVUHWKZSZYZEOK-UHFFFAOYSA-N 288.754 3.488 5 1 CGBF O=[N+]([O-])c1ccc(/C=C/c2nc(O)c3sccc3n2)o1 1857597894 OGXJWCYFVSSDON-HNQUOIGGSA-N 289.272 3.069 5 1 CGBF C[N+]1(C)CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 146317240 YJSZGPNVWVYXJS-NJAFHUGGSA-O 272.412 3.225 5 1 CGBF COc1ccc(N2CCc3cc([N+](=O)[O-])ccc32)cc1 653850058 HDOXRALABMOXMR-UHFFFAOYSA-N 270.288 3.298 5 1 CGBF C[C@@H]1CCCC[N@+]1(C)CCCOC(=O)c1ccccc1 299810696 WSVYVKXJAAODMB-CRAIPNDOSA-N 276.400 3.253 5 1 CGBF Cc1nn(C)c(C)c1-c1[nH]c2cccc([N+](=O)[O-])c2c1C 587647701 NGCKNVCLAJSLQL-UHFFFAOYSA-N 284.319 3.402 5 1 CGBF Cc1cc(F)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587269628 WYLUIDSNWGCBMP-UHFFFAOYSA-N 275.239 3.487 5 1 CGBF O=C(c1ccc([N+](=O)[O-])o1)c1coc2ccccc12 587280962 LBAMPPKVRMXTQR-UHFFFAOYSA-N 257.201 3.165 5 1 CGBF O=[N+]([O-])c1c(Nc2ccc(F)cc2)ccc2nonc12 33680742 RUHBQIJOUPZMFW-UHFFFAOYSA-N 274.211 3.014 5 1 CGBF O=[N+]([O-])c1cccc(-c2ccccc2CCC2=NCCN2)c1 40975174 ZSLBFOFESSDJDT-UHFFFAOYSA-N 295.342 3.196 5 1 CGBF Cc1cc2[nH]c(-c3ncccc3Cl)nc2cc1[N+](=O)[O-] 587064586 CVXLJJTYQQKTSV-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF c1cc2cc3ccc4c(c3nc2c2c1NCOC2)COCN4 28022350 WKPDATMOWZCADK-UHFFFAOYSA-N 293.326 3.187 5 1 CGBF O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccccc2)no1 169348231 AZUQZSZSZATJLE-UHFFFAOYSA-N 283.243 3.017 5 1 CGBF O=c1c2ccc(O)cc2oc2c1oc1ccc(O)cc12 3990271 YAVSUYZJNCRZIP-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF CCCC[C@@H]1[C@H](O)CCC[C@]12CCCC[N+]2(C)C 27998127 UUBPJEKTUBNTEF-BZUAXINKSA-N 254.438 3.337 5 1 CGBF Cc1cc(C)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 587268493 AJWNIRLBQKQBET-UHFFFAOYSA-N 297.318 3.095 5 1 CGBF C[C@@H](c1ccccc1)[C@@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1 13572473 JGEAUUUFVBZFSN-CGTJXYLNSA-N 290.427 3.162 5 1 CGBF O=c1c2ccccc2[nH]c2ccc3c(Cl)n[nH]c3c12 6583533 AKIOXTIHKFCURP-UHFFFAOYSA-N 269.691 3.211 5 1 CGBF COc1cccc2c(Cl)c3ccc(=O)oc3nc12 40950537 UQEWPPFSRAMIBU-UHFFFAOYSA-N 261.664 3.003 5 1 CGBF CCCCOC(=O)c1cccc2nc3cc(N)ccc3nc12 103223415 OWYZCGYCTMBZHU-UHFFFAOYSA-N 295.342 3.322 5 1 CGBF O=Nc1c(O)[nH]c2c3c(c([N+](=O)[O-])cc12)CCCC3 100756037 SADZJARZJNQZHT-UHFFFAOYSA-N 261.237 3.058 5 1 CGBF CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2cccc([N+](=O)[O-])c12 587648803 LTYKJTTZGNDSAC-UHFFFAOYSA-N 299.286 3.332 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CC(F)(F)F 587646302 NGFCPFMZZUFGAP-UHFFFAOYSA-N 258.199 3.489 5 1 CGBF CC(C)(C)OCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279933 VFSSJHVYCKISMB-UHFFFAOYSA-N 277.276 3.339 5 1 CGBF COc1ccc2c(c1)oc1c3c(O)cc(O)cc3oc(=O)c21 14778646 AAKHRTZXSZBLFQ-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF O=c1[nH]c2ccncc2c2c1sc1ccccc12 40379052 NXYMHENXTAKZEP-UHFFFAOYSA-N 252.298 3.291 5 1 CGBF O=[N+]([O-])c1c(Sc2cccc(F)c2)ccc2nonc12 95598369 JXBMSIITPRGMAK-UHFFFAOYSA-N 291.263 3.421 5 1 CGBF COc1c(O)cc2c(ccc3cc(O)cc(O)c32)c1OC 14650670 RPXPLEKXBFYMQL-UHFFFAOYSA-N 286.283 3.127 5 1 CGBF biogenic,in-vitro Cn1c(-c2ccccc2)cc2c(O)cc([N+](=O)[O-])cc21 72114256 KTTUBPAYUIHUTM-UHFFFAOYSA-N 268.272 3.459 5 1 CGBF CC1(C)C=C(N2CCCCC2=O)c2cc([N+](=O)[O-])ccc21 13820473 LVVSRLSKXZOMBF-UHFFFAOYSA-N 286.331 3.239 5 1 CGBF O=[N+]([O-])c1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Cl 586918432 YVALPRXISUGJEN-UHFFFAOYSA-N 293.710 3.019 5 1 CGBF CN(C)CCn1c2ccccc2c2nc3ccccc3nc21 5140465 ASPCGJCAQYNHEN-UHFFFAOYSA-N 290.370 3.299 5 1 CGBF CCc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 28770416 DFCNBFOKQHVNRA-UHFFFAOYSA-N 282.295 3.136 5 1 CGBF Nc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 135999225 IBJLRUNDPNEMDX-FPYGCLRLSA-N 280.287 3.224 5 1 CGBF O=C(c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587646061 ILGIWXREHFKDKO-UHFFFAOYSA-N 290.172 3.462 5 1 CGBF Cc1cc2[nH]c([C@H](C(C)C)N(C)C)nc2cc1[N+](=O)[O-] 587198563 KIKHITADMOHLLA-ZDUSSCGKSA-N 276.340 3.038 5 1 CGBF CNc1c(F)cccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587135850 PUKGXLQKWTXEDJ-UHFFFAOYSA-N 286.266 3.319 5 1 CGBF COc1ccc2c(c1)c1c3c[n+](C)ccc3ccc1n2C 28762456 BSNLSQCJXHKAGT-UHFFFAOYSA-N 277.347 3.318 5 1 CGBF Nc1ccc2oc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2c1 587252959 VKHOLWQGPBVPJU-UHFFFAOYSA-N 294.270 3.467 5 1 CGBF COc1cccc(-c2ccc([N+](=O)[O-])s2)c1OC 1772569770 GYICFUZZBQHNAH-UHFFFAOYSA-N 265.290 3.341 5 1 CGBF Cc1c([N+](=O)[O-])cnc(Sc2ccccc2)c1[N+](=O)[O-] 6996041 HXCGHDSDZHVQOC-UHFFFAOYSA-N 291.288 3.358 5 3 CGBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 586885405 MSOOTJMRMGKXMI-GARJFASQSA-N 297.314 3.110 5 1 CGBF CCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 100463538 IRQVBIRRLBCVGC-UHFFFAOYSA-N 296.326 3.388 5 3 CGBF O=CNc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647381 XSYBOXCUEWDJRS-UHFFFAOYSA-N 281.271 3.311 5 1 CGBF O=c1[nH]c2ccccc2c(=O)c2cc3ccccc3cc12 1647176 VYDOFBFPAMJVGT-UHFFFAOYSA-N 273.291 3.195 5 1 CGBF CN(C)CCCN=c1c2ccccc2oc2ccccc12 27088317 DHUXBIPIHHTOBN-UHFFFAOYSA-N 280.371 3.438 5 1 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@@H]3C[C@H]4CC[C@H]3N4)c2)c1 261171377 TUHXLFZVXVMYDP-HYVNUMGLSA-N 295.342 3.265 5 1 CGBF in-vitro COc1ccc2c(c1)CC[N+]1(C)CCc3ccccc3[C@H]21 34641925 ICPCBSSZIHJQET-FIWHBWSRSA-N 280.391 3.343 5 1 CGBF O=[N+]([O-])c1ccc2[nH]c(-c3cccc(CO)c3)cc2c1 40834836 WVHQXZGHOYFYFO-UHFFFAOYSA-N 268.272 3.235 5 1 CGBF Cn1c2ccccc2c(=O)c2c3c(c4occc4c21)OCO3 13385352 QJNXQXPJTKGYLB-UHFFFAOYSA-N 293.278 3.167 5 1 CGBF Cc1ccc2c(=O)c3cccc(C)c3oc2c1CC(=O)O 26375468 HNTSBQQRKBEVLB-UHFFFAOYSA-N 282.295 3.190 5 1 CGBF O=[N+]([O-])c1cc2nc(CCOCC3CC3)[nH]c2cc1Cl 587784295 PDZZEUUKTJQEBY-UHFFFAOYSA-N 295.726 3.094 5 1 CGBF CCCn1c2ccccc2c(=O)c2c(O)cccc21 64573198 BIOLOFPFGYFSDV-UHFFFAOYSA-N 253.301 3.270 5 1 CGBF O=S(=O)(O)Oc1cccc2ccc3ccccc3c12 31707163 NGHHMZVUHHGUQB-UHFFFAOYSA-N 274.297 3.175 5 1 CGBF in-vitro COC(=O)c1c2ccccc2n2c(O)c3ccccc3nc12 255213254 GPANOGGWUWKVLC-UHFFFAOYSA-N 292.294 3.133 5 1 CGBF Cc1oc(-c2nc3c(C)cccc3[nH]2)cc1[N+](=O)[O-] 587268558 DMKGGXYNLJQTIX-UHFFFAOYSA-N 257.249 3.348 5 1 CGBF O=[N+]([O-])c1cc2nc(C3CCC3)[nH]c2cc1Cl 586883774 GLHHMCCJHOPUEZ-UHFFFAOYSA-N 251.673 3.392 5 1 CGBF CC[C@H](O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586900360 GXYRASKUFQJFJT-HNNXBMFYSA-N 278.315 3.103 5 1 CGBF O=[N+]([O-])c1cccc2nc(-c3occ4c3CCC4)[nH]c12 586905312 KHZCLZPFHVXNIX-UHFFFAOYSA-N 269.260 3.220 5 1 CGBF O=[N+]([O-])c1cncc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587961770 UEKPPGYMQUJFHS-RYUDHWBXSA-N 294.314 3.212 5 1 CGBF Cc1cccc2c(=O)c3c(C)ccc(CC(=O)O)c3oc12 26282292 HEVDMTSXWDFGTA-UHFFFAOYSA-N 282.295 3.190 5 1 CGBF CNC[C@@H](O)c1cc2ccccc2c2ccccc12 169331901 LMHGYTGALAVMLU-QGZVFWFLSA-N 251.329 3.246 5 1 CGBF O=C(CCc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 587954322 OUTIXSBELYYYBD-UHFFFAOYSA-N 295.298 3.287 5 1 CGBF CC[C@H]1OCCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586913973 SUOCZENPDKCHOW-GXFFZTMASA-N 275.308 3.144 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586887278 FXOFEGBDNJUSID-XQDRIVNHSA-N 298.346 3.334 5 1 CGBF O=[N+]([O-])c1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1 95581324 IISSBZMWJYMUSP-OAHLLOKOSA-N 282.299 3.331 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090474 RAGMZFPYZQBPPP-QMMMGPOBSA-N 297.595 3.395 5 1 CGBF Cc1ccc(/N=c2/ssnc2Cl)c([N+](=O)[O-])c1 100475581 DBKPREURWJCNFH-PKNBQFBNSA-N 287.753 3.307 5 1 CGBF Cc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1C 587267742 PSASYMWKKQZZBQ-LLVKDONJSA-N 299.334 3.202 5 1 CGBF O=[N+]([O-])c1cncc2[nH]c(-c3cc4c(s3)CCC4)nc12 587036776 MZFQOYTWOXOXEU-UHFFFAOYSA-N 286.316 3.083 5 1 CGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)O2 587389948 ODPSVHNRWSQFGI-HNNXBMFYSA-N 298.298 3.192 5 1 CGBF CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21 13678099 LYALQSWCHUWEAF-UHFFFAOYSA-N 282.351 3.003 5 1 CGBF Cc1noc(C)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279263 FQQWOLQHGGVQIN-UHFFFAOYSA-N 286.243 3.177 5 1 CGBF C[n+]1c2ccc(F)cc2cc2[nH]c3ccccc3c21 13555476 OAMMLMHCYGFVMP-UHFFFAOYSA-O 251.284 3.438 5 1 CGBF O=C1CCc2cc(Nc3cccc([N+](=O)[O-])c3)ccc2N1 169353111 XIYNREWSFJOFRJ-UHFFFAOYSA-N 283.287 3.223 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1 587649757 ZFPOHNFLEANUBG-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF COc1cccc2c1oc(=O)c1c(=O)c3ccccc3oc12 15218791 YEEPARQWBYNUDV-UHFFFAOYSA-N 294.262 3.061 5 1 CGBF CN(C)C(=S)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 26145886 RXNMSEVMWORXPF-UHFFFAOYSA-N 292.360 3.038 5 1 CGBF O=c1c(Cc2ccc([N+](=O)[O-])cc2)coc2ccccc12 38242140 GCTGFAIFLFDAGY-UHFFFAOYSA-N 281.267 3.292 5 1 CGBF Cc1cnc(Sc2cccc(N)c2)c([N+](=O)[O-])c1 299821422 KESRPKWVMGPBJS-UHFFFAOYSA-N 261.306 3.032 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162638 JYJNOKOKEGMSRV-MNOVXSKESA-N 298.277 3.276 5 1 CGBF Cc1nc(Nc2ccc([N+](=O)[O-])cc2)c(C)c(C)c1O 143963751 OSXYTXPUVYXJSM-UHFFFAOYSA-N 273.292 3.364 5 1 CGBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)NCCc2ccc(O)cc21 963340015 DXWNJXPPTXCMCQ-QGZVFWFLSA-N 298.342 3.018 5 1 CGBF COc1c(O)c(OC)c2c3c(cc4ccccc42)NC(=O)c13 5998714 UQUSUGQKCAHMQJ-UHFFFAOYSA-N 295.294 3.282 5 1 CGBF biogenic,in-vitro CCC[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 13682084 NAHZCGQMXZCULW-AWEZNQCLSA-N 276.336 3.042 5 1 CGBF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)O2 587388434 BOUWOFOEGDNARE-HNNXBMFYSA-N 298.298 3.192 5 1 CGBF C[C@H](COc1ccccc1)[N+]1(Cc2ccccc2)CC1 169332745 YAXHTYSSJPQYRF-MRXNPFEDSA-N 268.380 3.485 5 1 CGBF O=[N+]([O-])c1ccc(-c2nnc(Nc3ccccc3)o2)cc1 32271060 SWHDDSPLSFGCPT-UHFFFAOYSA-N 282.259 3.388 5 1 CGBF Oc1ccc2nccc3c4ccccc4nc(O)c1c23 1911571136 QSFBUWULPIYJRP-UHFFFAOYSA-N 262.268 3.347 5 1 CGBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587274747 LFZPPEAEHXBFCL-UHFFFAOYSA-N 299.334 3.169 5 1 CGBF O=[N+]([O-])c1ccccc1C1=C(O)C2=C(CCC2)N2CCN=C12 26274952 IRZKKRKSARRWPF-UHFFFAOYSA-N 297.314 3.030 5 1 CGBF O=C1NC(=O)c2c1c1ccccc1c1[nH]c3ccccc3c21 13554105 IUWAGZUDXHNNFN-UHFFFAOYSA-N 286.290 3.358 5 1 CGBF C[C@@]1(c2ccccc2)ON=C(c2ccc([N+](=O)[O-])s2)O1 49112729 KBZFAUKYZWXXPR-ZDUSSCGKSA-N 290.300 3.238 5 1 CGBF O=c1cc2oc(-c3ccccc3)cc(O)c-2cc1[N+](=O)[O-] 169715928 HTXZMLNLCJSHAF-UHFFFAOYSA-N 283.239 3.025 5 1 CGBF CC(=O)Oc1cccc([N+](C)(C)Cc2ccccc2)c1 13586882 ALIUCTAJBRBKRF-UHFFFAOYSA-N 270.352 3.379 5 1 CGBF Cc1nc2ccc3cc(Br)ccc3c2c(=O)[nH]1 13832495 MTSZDWLOLQNBNF-UHFFFAOYSA-N 289.132 3.147 5 1 CGBF C[C@@H](c1cc(O)c2c(c1)oc(=O)c1ccccc12)N(C)C 220080190 GSBAKOQUEJHZRK-JTQLQIEISA-N 283.327 3.274 5 1 CGBF COc1cc2ncc3c(nc4sccn43)c2cc1OC 5888978 XSLXTAYOTABXIR-UHFFFAOYSA-N 285.328 3.114 5 1 CGBF Cc1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587648297 BQDUIYVDDSAASP-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF CSc1ccc2c3ccnc4ccc(=O)n(c2c1)c43 14593553 GJLMRKJPGHKHPU-UHFFFAOYSA-N 266.325 3.161 5 1 CGBF Cc1cccc2c1ccc1cc([C@H](C)CO)c(=O)oc12 1857569131 ZIFLXJYQLBIOPG-LLVKDONJSA-N 268.312 3.350 5 1 CGBF CCOC(=O)c1c(C)nc2c(c1C)c(=O)oc1ccccc12 243447 CBBHEFALSKDVEG-UHFFFAOYSA-N 297.310 3.135 5 3 CGBF COc1cc2occc2c2[nH]c3c(O)cccc3c(=O)c12 13380771 BNTZGUBSNBFJJA-UHFFFAOYSA-N 281.267 3.142 5 1 CGBF O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3[C@H]3NCC[C@@H]23)cc1 653842868 SUDBTLPGDQMMHS-USXIJHARSA-N 295.342 3.412 5 1 CGBF Cc1cccc2c(=O)c3cccc([C@H](C)C(=O)O)c3oc12 5538909 DNOVMIZRTRQVOD-JTQLQIEISA-N 282.295 3.443 5 1 CGBF O=c1c2cc3ccoc3c(O)c2oc2cccc(O)c12 13307980 SKLKLYJCWKMONH-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF CC(C)(C)/N=c1\c([N+](=O)[O-])c(O)sc2ccccc12 101653119 OLOACCWMYDBKLM-UVTDQMKNSA-N 278.333 3.214 5 1 CGBF Cc1c(CC(=O)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645302 PAHJGVXDRHTFNX-UHFFFAOYSA-N 286.209 3.058 5 1 CGBF Cc1cc2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2cc1[N+](=O)[O-] 587092100 ARGPWAYCNIBTIT-BQBZGAKWSA-N 285.225 3.445 5 1 CGBF CO[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 28755383 SOWPEYSRAIOKBM-SFHVURJKSA-N 275.197 3.153 5 1 CGBF O=C(c1cccnc1F)c1coc2cc([N+](=O)[O-])ccc12 587280169 MIMQMLWWFZXBPW-UHFFFAOYSA-N 286.218 3.106 5 1 CGBF Cc1ccc2c(O)cc(-c3ccc([N+](=O)[O-])cc3)nc2n1 13579539 MGONMXNIZCTIPU-UHFFFAOYSA-N 281.271 3.219 5 1 CGBF CC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1 29135889 XUCMJNNOVBWXSL-UHFFFAOYSA-N 286.287 3.132 5 1 CGBF CC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64540213 HPVGIMAFCHRMAY-UHFFFAOYSA-N 271.295 3.036 5 1 CGBF C[N+]1(C)CCn2c3c(c4cccc(c42)C1)CCCC3 39207629 PDOVXPBQPXOIFG-UHFFFAOYSA-N 255.385 3.110 5 1 CGBF Cc1c(CC[C@H](C)[N+](=O)[O-])nc2cccc3c2c1CC3 587210427 BCXRGQRATXMJQM-JTQLQIEISA-N 270.332 3.240 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccnc1 587649088 PGQAJDCOXDLFAM-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF O=C(O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)s1 39131891 IHKCOKRMJRDWAL-UHFFFAOYSA-N 277.301 3.341 5 1 CGBF in-vivo O=[N+]([O-])c1ccc(NN/C=C2\C=Nc3ccccc32)cc1 13125145 ZYHIJGFQFYQCMK-ZHACJKMWSA-N 280.287 3.268 5 3 CGBF CN1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 72104835 VKFHOFPVMOYWOW-IAGOWNOFSA-N 298.342 3.205 5 1 CGBF CN1CCO[C@](O)(c2ccc3c(ccc4ccccc43)c2)C1 473113405 HASWQCLMGPQFQG-IBGZPJMESA-N 293.366 3.100 5 1 CGBF COc1cc(C)c(N)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587250567 ZBGCCDHXZKDRJA-UHFFFAOYSA-N 298.302 3.037 5 1 CGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)O2 587388438 BOUWOFOEGDNARE-OAHLLOKOSA-N 298.298 3.192 5 1 CGBF C[N+]1(C)CCN(c2nc3ccccc3c3c2CCCC3)CC1 13778668 YYRWMHFDEFDRNC-UHFFFAOYSA-N 296.438 3.010 5 1 CGBF COc1c(O)c2c3c(cc4ccccc4c3c1OC)NC2=O 14779268 LYAWRCUCLSFMNJ-UHFFFAOYSA-N 295.294 3.282 5 1 CGBF biogenic,in-vitro O=[N+]([O-])c1cc(O)c2cc(-c3ccc(O)cc3)[nH]c2c1 72114304 YTDZZVVALXTRNX-UHFFFAOYSA-N 270.244 3.154 5 1 CGBF C[C@H]1COc2c1c(=O)oc1c2ccc2ccccc21 45365817 IACYJGWBEOIDAT-VIFPVBQESA-N 252.269 3.442 5 1 CGBF C=Cc1cc2c(=O)c3ccccc3oc2c(OC)c1O 1857636139 SJAQVBATELRVIF-UHFFFAOYSA-N 268.268 3.303 5 1 CGBF O=S(=O)(O)Oc1ccc2c(ccc3ccccc32)c1 31707158 YCNZBVHCFDPEAJ-UHFFFAOYSA-N 274.297 3.175 5 1 CGBF in-vitro O=[N+]([O-])c1cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586887276 FXOFEGBDNJUSID-PKAHGGBBSA-N 298.346 3.334 5 1 CGBF CC[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586892767 WEKUXODTMLQQJX-WPPNPWJKSA-N 290.279 3.283 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1 82153497 CXIOJCBUFHEXSV-UHFFFAOYSA-N 289.678 3.497 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587090473 RAGMZFPYZQBPPP-MRVPVSSYSA-N 297.595 3.395 5 1 CGBF CC[C@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586908725 CYDNCNUDNMXTHL-QMTHXVAHSA-N 289.335 3.452 5 1 CGBF COc1ccc2cc3c4c(cc5c(c4c2c1)OCO5)C(=O)N3 13372617 LUASRNDIAICNKN-UHFFFAOYSA-N 293.278 3.296 5 1 CGBF biogenic,in-vitro O=[N+]([O-])[C@H]1Cc2ccccc2O[C@@H]1c1ccccc1 482122 DABPXYGKUXLBGY-DZGCQCFKSA-N 255.273 3.008 5 1 CGBF CCCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 28957110 NBGBLCKJZOWEKY-UHFFFAOYSA-N 297.314 3.450 5 1 CGBF CCOCc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 586902718 GSMXEMZZQCMUAI-UHFFFAOYSA-N 287.275 3.268 5 1 CGBF CCC[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 13682081 NAHZCGQMXZCULW-CQSZACIVSA-N 276.336 3.042 5 1 CGBF in-vivo COc1ccc2nc3ccc4ccn(CCO)cc4c3c2c1 377386513 VXIIWWYUSNFOHB-UHFFFAOYSA-N 292.338 3.344 5 1 CGBF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1ccc([N+](=O)[O-])n1 587631858 XQJFQCFTAKGQGN-UHFFFAOYSA-N 294.673 3.363 5 1 CGBF O=C1c2ccccc2-c2noc(-c3cccc([N+](=O)[O-])c3)c21 103291625 IAPZPHMKYRLGNI-UHFFFAOYSA-N 292.250 3.461 5 1 CGBF CCC(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322614 XQHNAQZDWPYLNY-UHFFFAOYSA-N 296.278 3.237 5 1 CGBF O=c1[nH]ccc2nc(NC3CCC3)c3ccc(F)cc3c12 64560355 UQGCDSQHWUMCPI-UHFFFAOYSA-N 283.306 3.180 5 1 CGBF O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21 42920021 CEHGVNIFTRLUOI-UHFFFAOYSA-N 267.288 3.187 5 1 CGBF in-vivo COc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1C 587268632 HMPHMAIHEPDYIX-UHFFFAOYSA-N 287.275 3.357 5 1 CGBF Cc1cc(=O)oc2cc3oc4cc(CO)ccc4c3cc12 26743656 GLXWTDUVYBOUJV-UHFFFAOYSA-N 280.279 3.493 5 1 CGBF Cc1c2c[n+]([O-])ccc2c(C=O)c2[nH]c3ccccc3c12 15150769 VMNJZZPBIMARER-UHFFFAOYSA-N 276.295 3.229 5 1 CGBF Cc1cc([N+](=O)[O-])ccc1NC(=N)Nc1cccc(O)c1 26494108 QYEYTDXVFLAODC-UHFFFAOYSA-N 286.291 3.068 5 1 CGBF CNc1c(F)cccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587135557 HGRFWEXMSJJLEF-UHFFFAOYSA-N 286.266 3.319 5 1 CGBF C[C@@H](F)[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587125589 SLUZBDDCFWQRAP-KCJUWKMLSA-N 295.321 3.017 5 1 CGBF COc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 587261114 UNTZNROQSSFLAL-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF COc1cccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c12 587261122 VCDYLXVPVKYQMW-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF Nc1ccc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 209398720 IBJLRUNDPNEMDX-BAQGIRSFSA-N 280.287 3.224 5 1 CGBF O=C1c2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)c21 103291633 OYQPQNZYGSEGQA-UHFFFAOYSA-N 292.250 3.461 5 1 CGBF Cc1cccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C 587564822 YKGVCSWDGUWALK-UHFFFAOYSA-N 298.302 3.062 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CC(F)(F)F 587646611 XMZUCQUXLSHMTN-UHFFFAOYSA-N 258.199 3.489 5 1 CGBF Cc1cc(O)c2c(O)c3c(O)cccc3c(O)c2c1 169724382 ZLIOVJHCWOJYJY-UHFFFAOYSA-N 256.257 3.124 5 1 CGBF O=[N+]([O-])/C=C/c1cc(Cl)c(/C=C/[N+](=O)[O-])cc1Cl 1581792 DFJKZFPZBIIMAS-ZPUQHVIOSA-N 289.074 3.488 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@@H]3C[C@H]4CC[C@@H]3N4)c2)cc1 29123210 CRROBCHEYASOQD-PVAVHDDUSA-N 295.342 3.265 5 1 CGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1[N+](=O)[O-])O2 587391778 YSYBYJCGULVCLV-OAHLLOKOSA-N 298.298 3.192 5 1 CGBF COc1cccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)c1 98082710 FZGGUDGXXHICGY-MRXNPFEDSA-N 297.314 3.042 5 1 CGBF C[C@@H](C[C@H]1C[C@@H](C)C(=O)O1)[C@@H]1CCCC[N@+]2([O-])CCC[C@H]12 2356321461 PIGOWTVLTFOGSR-OJUAWKFGSA-N 295.423 3.241 5 1 CGBF CC[C@H]1OCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586912973 POWXEPFCBWFUJV-JOYOIKCWSA-N 275.308 3.144 5 1 CGBF O=[N+]([O-])c1ccc2c(Nc3cccc(F)c3)ncnc2c1 13745558 HQIGZYYYFPXURI-UHFFFAOYSA-N 284.250 3.421 5 1 CGBF CCc1ccc(O)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1 28761753 DDXBXVGKYPQXRN-UHFFFAOYSA-N 271.272 3.094 5 1 CGBF C[C]1C=CN(CC(=O)c2cccc([N+](=O)[O-])c2)C=C1C 2356836555 MVLLUNDKXSYTOB-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF COc1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1C(C)(C)CCC2 103182016 PUXJIPLGFHTIEV-UHFFFAOYSA-N 280.280 3.126 5 1 CGBF Cc1cccc2cc3c(=O)[nH]c(-c4ccccc4)nc3nc12 28640895 RQYPCZWPOCMMLT-UHFFFAOYSA-N 287.322 3.447 5 1 CGBF Cc1c(O)ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc12 1857749695 WAFOMEMJHRHUEQ-UHFFFAOYSA-N 297.266 3.382 5 1 CGBF COc1ccc2c(c1C)c(=O)oc1c(C)c(O)ccc12 28571834 ZNNWUTSEWXUPRB-UHFFFAOYSA-N 270.284 3.277 5 1 CGBF COc1cc(O)c2c(O)c3c(O)cc(C)cc3cc2c1 100403627 FVUVEJYBZHKPTJ-UHFFFAOYSA-N 270.284 3.427 5 1 CGBF CC/C(C)=C(\N)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647653 LFSREDPPFXXITH-ZSOIEALJSA-N 259.309 3.484 5 1 CGBF CCCc1nnc2sc3cc4ccccc4c-3nn12 72117053 WFOZWEPFACZGEU-UHFFFAOYSA-N 268.345 3.396 5 1 CGBF C[C@@H]1C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21 100887092 LNVQXGBSKPORAW-VIFPVBQESA-N 268.272 3.317 5 1 CGBF CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc([N+](=O)[O-])cc1 3058470 FJLLCFOEVGFGGY-UHFFFAOYSA-N 288.303 3.383 5 1 CGBF COc1cc2c(cc1OCc1ccccc1)C[N+](C)(C)CC2 1772617393 PMYZYFLRDZMTBM-UHFFFAOYSA-N 298.406 3.407 5 1 CGBF Nc1c2c(nc3ccc([N+](=O)[O-])cc13)-c1ccccc1C2 14946328 FNMLBLIRYXQIIS-UHFFFAOYSA-N 277.283 3.296 5 1 CGBF CCCCC/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 104066261 HLLFOQBBFBVTIY-QINSGFPZSA-N 276.292 3.138 5 1 CGBF CC[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586892764 WEKUXODTMLQQJX-UHLUBPPHSA-N 290.279 3.283 5 1 CGBF CN(C)CCN=c1c2ccccc2oc2ccccc12 27088943 UONUHGGBHSYORU-UHFFFAOYSA-N 266.344 3.048 5 1 CGBF OCCc1c[nH]c2c1ccc1c3ccccc3[nH]c12 45300169 KNAUNTGIXRQKQH-UHFFFAOYSA-N 250.301 3.337 5 1 CGBF CCCC[n+]1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 2182313 RIFHWTDBDQTSJU-UHFFFAOYSA-O 297.338 3.226 5 3 CGBF CCC1=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)[C](C)C=C1 2356817603 KHDHKYBQOAGHDP-UHFFFAOYSA-N 285.323 3.495 5 1 CGBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(CO)cc3)cc2c1 40896973 ALRYNFXHVJUHRD-UHFFFAOYSA-N 268.272 3.235 5 1 CGBF CC(C)n1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1 95574262 CRZAOKBAFYYQMA-UHFFFAOYSA-N 297.314 3.281 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586902223 KBPVHUMHJDSWMJ-RISCZKNCSA-N 295.298 3.040 5 1 CGBF CN1C(=O)c2c(c3c4ccccc4[nH]c3c3cc[nH]c23)C1=O 28870953 JHKROTHYHODFKQ-UHFFFAOYSA-N 289.294 3.028 5 1 CGBF CC[N+]1(CC)CCN(c2ccc(C(F)(F)F)cc2)CC1 653787450 SIRFNEMUCUNHAA-UHFFFAOYSA-N 287.349 3.382 5 1 CGBF COC(=O)c1cccc2nc3c([C@@H](C)OC)cccc3nc12 14451335 JAMXJCNGPHWOOE-SNVBAGLBSA-N 296.326 3.277 5 1 CGBF Cc1cc[c-](-c2cc(-c3ccccc3[N+](=O)[O-])n[nH]2)c(=O)c1 169689657 HIHVSFCLXZXSRC-UHFFFAOYSA-N 294.290 3.039 5 1 CGBF C[n+]1c2ccc(F)cc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21 28826848 CKJWHKWBJCKBLB-UHFFFAOYSA-O 296.281 3.346 5 1 CGBF Cc1c(-c2ccccc2)nnn1-c1ccc([N+](=O)[O-])cc1 196123260 BBFCTGOYVYANDP-UHFFFAOYSA-N 280.287 3.151 5 1 CGBF Cc1oc(-c2nc3c(F)cc(F)cc3[nH]2)cc1[N+](=O)[O-] 587268665 IQDRMPHQGRJKMD-UHFFFAOYSA-N 279.202 3.318 5 1 CGBF C=Cc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 586882264 YQIIAIOCRNAWOJ-UHFFFAOYSA-N 266.260 3.176 5 1 CGBF C[C@@H]1CCC(=O)N1C1=CC(C)(C)c2ccc([N+](=O)[O-])cc21 3794458 WCKFNZINQMJONC-SNVBAGLBSA-N 286.331 3.238 5 1 CGBF O=[N+]([O-])c1cc(Br)cc2nc(CC3CC3)[nH]c12 587958657 DUVUGCBLMSYKLO-UHFFFAOYSA-N 296.124 3.186 5 1 CGBF O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12 13861993 GFCUIFVKCOEHQN-UHFFFAOYSA-N 276.295 3.191 5 1 CGBF in-vivo O=C1O[C@H](CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 196670159 XPIBOLXUVOOUDX-OAHLLOKOSA-N 297.266 3.079 5 1 CGBF Cc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268300 PXPLBBMWAWRRDA-UHFFFAOYSA-N 299.334 3.148 5 1 CGBF COC(=O)C1=C(c2cccc([N+](=O)[O-])c2)CCCC1 28714387 LQZNMKWOFOJVOS-UHFFFAOYSA-N 261.277 3.095 5 1 CGBF O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 34079511 MRKQOPNXYVKWKY-UHFFFAOYSA-N 281.271 3.328 5 1 CGBF O=C(O)Cc1c(Cl)ccc2c(=O)c3ccccc3oc12 27882610 CQQUKAZZGFGPGV-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF COc1ccc2c(cnc3c([N+](=O)[O-])cc4[nH]ncc4c32)c1 299829720 LCDAETYKSLPKDG-UHFFFAOYSA-N 294.270 3.181 5 1 CGBF CCC(=O)Oc1cc(O)nc2c1ccc1ccccc12 1772573159 VDCSZIDDJDXZLL-UHFFFAOYSA-N 267.284 3.409 5 1 CGBF CC(C)(CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-] 102498783 BJPQXEZVCKJQEG-UHIISALHSA-N 255.358 3.273 5 1 CGBF COc1cc2c(ccc3cc(O)cc(OC)c32)cc1O 14650916 YKFWCNBTQYCJQV-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF endogenous,in-man C=C(C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 39220564 KLEKHHIXJQPUQC-UHFFFAOYSA-N 276.291 3.451 5 1 CGBF COc1ccc2c(c1)[nH]c(=N)c1c3cccc(F)c3cn21 299858400 GNPNPAABABSOMX-UHFFFAOYSA-N 281.290 3.201 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587644911 FOBGNBDFTPIGEE-UHFFFAOYSA-N 272.182 3.130 5 1 CGBF C[N+]1([C@@H]2CCCC[C@H]2O)CCC(c2ccccc2)CC1 28230269 WAKPFUAAFAMBSZ-QGLXBCBXSA-N 274.428 3.314 5 1 CGBF COc1cc(O)c2c(=O)c3cccc(Cl)c3[nH]c2c1 27556469 RTGNEXLOHCQMLA-UHFFFAOYSA-N 275.691 3.049 5 1 CGBF CCn1c(=O)c2c3ccc(O)cc3[nH]c2c2ccc(O)cc21 6371740 DGWKVCKSOBTIFW-UHFFFAOYSA-N 294.310 3.067 5 1 CGBF C[C@H]1CCCC[N@@+]1(C)CCCOC(=O)c1ccccc1 299810699 WSVYVKXJAAODMB-YJBOKZPZSA-N 276.400 3.253 5 1 CGBF O=CN1CCc2cc3c(c4c2c1cc1ccccc14)OCO3 13434453 BJAKWCXIVLYYNF-UHFFFAOYSA-N 291.306 3.241 5 1 CGBF CCN(CC)Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587646873 MJSVOTMPTPOKHG-UHFFFAOYSA-N 261.325 3.226 5 1 CGBF CCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587645509 XLLUMFFODCIIQB-UHFFFAOYSA-N 286.209 3.384 5 1 CGBF O=[N+]([O-])c1cncc2nc(-c3ccoc3C3CC3)[nH]c12 586902264 WXKDXZLUNSGCQR-UHFFFAOYSA-N 270.248 3.004 5 1 CGBF O=[N+]([O-])c1ccc(-c2cn3cc(F)sc3n2)cc1 73139996 DCAQIXBZZGJKTP-UHFFFAOYSA-N 263.253 3.110 5 1 CGBF O=[N+]([O-])c1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2O)c1 587647000 BTXNNTORBZHBAQ-UHFFFAOYSA-N 299.242 3.357 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3ccccc3sc12 27554642 ZYKMIGYHXDOBFW-UHFFFAOYSA-N 270.309 3.042 5 1 CGBF O=c1c2cc3cccc(O)c3cc2oc2cc(O)cc(O)c12 28655173 WNLRLRIRKINTNJ-UHFFFAOYSA-N 294.262 3.216 5 1 CGBF C[N+]1([C@H]2CCCC[C@@H]2O)CCC(c2ccccc2)CC1 28230266 WAKPFUAAFAMBSZ-YBXZHIRMSA-N 274.428 3.314 5 1 CGBF COc1cccc(N2CC[N+]3(CCc4ccccc43)CC2)c1 66079394 LDBSXFLZNWEJCC-UHFFFAOYSA-N 295.406 3.079 5 1 CGBF COc1c(O)ccc2c1oc(=O)c1c3ccc(O)cc3oc21 14778669 GGODGVBBKDNZEL-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF biogenic,in-vitro CNc1c([N+](=O)[O-])ccc2c1NC1(CCCCC1)[N+]2=O 139261844 WEOQRJCRVNTKJQ-UHFFFAOYSA-N 277.304 3.133 5 1 CGBF CN1CCN(c2nc3ccccc3c3ccccc23)CC1 13778637 ZVJIBTNUNUXAIO-UHFFFAOYSA-N 277.371 3.140 5 1 CGBF in-vivo COc1cccc2oc(=O)c3[nH]c4ccccc4c3c12 73199119 NTUBDWVUETWCOK-UHFFFAOYSA-N 265.268 3.436 5 1 CGBF O=[N+]([O-])c1ccc2c(ccn2-c2ccccc2[N+](=O)[O-])c1 222226825 CLSUZZXMQMPSKY-UHFFFAOYSA-N 283.243 3.447 5 1 CGBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2cc(F)ccc12 587635360 FOTOOSDNMXZAOB-MRVPVSSYSA-N 250.273 3.213 5 1 CGBF Cc1cc(C)n(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)n1 587647401 GUZBGDAELCSTCJ-UHFFFAOYSA-N 270.292 3.187 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586904926 WSUCLIJRUPXIHS-DOMZBBRYSA-N 295.298 3.040 5 1 CGBF C[N+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 14687781 NHRRLWUDUAIRAB-MJTSIZKDSA-N 295.338 3.180 5 1 CGBF C[C@@H]1CCCC[N+]1(C)CCCOC(=O)c1ccccc1 42988559 WSVYVKXJAAODMB-NNJIEVJOSA-N 276.400 3.253 5 1 CGBF O=[N+]([O-])c1cn(-c2ccc(Cl)c(Cl)c2)cn1 95574853 MGBANPDPVYDSFK-UHFFFAOYSA-N 258.064 3.087 5 1 CGBF Cc1c([C@H](C)CN(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587647364 WZGXNBPPRJUTSX-SECBINFHSA-N 261.325 3.050 5 1 CGBF C[N+]1(CCCCCCC(=O)CN=O)CCCCCC1 169691943 DSSCGHOHYHXOTC-UHFFFAOYSA-N 269.409 3.293 5 1 CGBF O=C(C[C@H]1CCCO1)c1coc2cc([N+](=O)[O-])ccc12 587279743 QEMATYXFPARTQZ-SNVBAGLBSA-N 275.260 3.093 5 1 CGBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 586884401 HRAQMUWKTKLLSA-GARJFASQSA-N 297.314 3.110 5 1 CGBF CC(=O)Oc1ccccc1[N+](C)(C)Cc1ccccc1 13586881 QYXQSGFFDJQHJM-UHFFFAOYSA-N 270.352 3.379 5 1 CGBF Cc1cc(C)c(/C=C/c2ncc([N+](=O)[O-])n2C)c(C)c1 40973019 QGXIPORPSUPION-AATRIKPKSA-N 271.320 3.424 5 1 CGBF CC[C@@H]1OCCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586913972 SUOCZENPDKCHOW-GWCFXTLKSA-N 275.308 3.144 5 1 CGBF CCOC(=O)c1c(O)cn2c1[nH]c1cccc3cccc2c31 1859970 NYYPQGQVKYEWPE-UHFFFAOYSA-N 294.310 3.456 5 1 CGBF CN1CCc2cc3c(c4c2c1cc1c(O)cccc14)OCO3 2356787710 VNIAKSMEUFIDFB-UHFFFAOYSA-N 293.322 3.420 5 1 CGBF Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cccc1[N+](=O)[O-] 587261589 CZOAEOMWECMKBV-UHFFFAOYSA-N 293.286 3.323 5 1 CGBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1)O2 587389950 ODPSVHNRWSQFGI-OAHLLOKOSA-N 298.298 3.192 5 1 CGBF COc1ccc2[nH]c3c4cc[n+](C)cc4ccc3c2c1 29464336 BRGKMBTZHPAZFZ-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966854 HDVKTOWFLUOXMJ-IVZWLZJFSA-N 255.277 3.151 5 1 CGBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cccc(O)c12 38242206 OWWHGWVFDHUHCE-UHFFFAOYSA-N 283.239 3.074 5 1 CGBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)NCCc3ccc(O)cc32)c1 963329560 OOUXHLHIDPYDRP-KRWDZBQOSA-N 298.342 3.018 5 1 CGBF O=C(O)C(=O)CC(=O)c1ccc2c(ccc3ccccc32)c1 28645811 CLAJILRTFGZQSR-UHFFFAOYSA-N 292.290 3.220 5 1 CGBF C[C@H](F)[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587125591 SLUZBDDCFWQRAP-KWQFWETISA-N 295.321 3.017 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587966992 JELCLBZHMCMBIY-IQJOONFLSA-N 255.277 3.151 5 1 CGBF COc1ccc2[nH]c(C(=O)c3ccccc3[N+](=O)[O-])cc2c1 13470991 QAPWWYPMDRXNKG-UHFFFAOYSA-N 296.282 3.316 5 1 CGBF COc1ccc2c(c1)c(N=O)c1c3ccccc3nnn21 26576512 KUEZKLFAEMVDSJ-UHFFFAOYSA-N 278.271 3.442 5 1 CGBF CC(=O)c1c(-c2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12 587648298 BQVDBXHGWUTAAC-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF CCOc1ccc2nc3ccc4[nH]onc4c3c2c1 6499750 QYCHLAJYIYYAKF-UHFFFAOYSA-N 253.261 3.256 5 3 CGBF COc1ccc2c(c1)CC[N@@+]1(C)CCc3ccccc3[C@@H]21 253778452 ICPCBSSZIHJQET-VQTJNVASSA-N 280.391 3.343 5 1 CGBF CC[C@@H]1OCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586912971 POWXEPFCBWFUJV-CABZTGNLSA-N 275.308 3.144 5 1 CGBF O=C(O)C(=O)CC(=O)c1ccc2ccc3ccccc3c2c1 28645808 LFRONLXCOYLKDF-UHFFFAOYSA-N 292.290 3.220 5 1 CGBF COc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160252 OCUBKUGJNKQEOV-UHFFFAOYSA-N 287.250 3.286 5 1 CGBF Cc1cc(C)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587266848 BNNYDDVBNNBHNV-NSHDSACASA-N 299.334 3.202 5 1 CGBF C[C@@H](c1cc(O)cc2oc(=O)c3ccccc3c12)N(C)C 220085676 FDGWOMOFXBMREQ-JTQLQIEISA-N 283.327 3.274 5 1 CGBF Cc1cc(C)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587266846 BNNYDDVBNNBHNV-LLVKDONJSA-N 299.334 3.202 5 1 CGBF Cc1nc(C)c(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)s1 587012153 PGOQWTKRWXDYOC-UHFFFAOYSA-N 288.332 3.135 5 1 CGBF Cc1cccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587268474 ZLQLMSHRSVVSAF-UHFFFAOYSA-N 299.334 3.148 5 1 CGBF CC[C@@]12CCC[N+]3(CC[C@]4(O)c5ccccc5N[C@@]43CC1)C2 38230188 YMRLYQGSGLAWTN-HQPYMTOTSA-N 299.438 3.201 5 1 CGBF CC(C)CNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1 72142497 PASBZYOOKURVRA-UHFFFAOYSA-N 260.297 3.053 5 1 CGBF CC[N+]1(CC)CCN(c2cccc(Cl)c2)CC1 653788958 KEOABNJAVBXBML-UHFFFAOYSA-N 253.797 3.017 5 1 CGBF Cc1ccc2oc(=O)c3cc4c(nc3c2c1)CCC4 103272118 MYGMGWWHBATQAA-UHFFFAOYSA-N 251.285 3.138 5 1 CGBF Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 1772638620 WETHHRJTLDPWQS-UHFFFAOYSA-N 291.694 3.204 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 587160422 RGJPDDZPBGFSTQ-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF COc1ccc2[nH]c3ccc4c[n+](C)ccc4c3c2c1 28762529 IPKMQSPWZBVTRS-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF CC(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645173 KCBQFDARRWINFF-UHFFFAOYSA-N 272.182 3.298 5 1 CGBF CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1cccn1 587647414 HIDCCCSCLYHLCH-UHFFFAOYSA-N 270.292 3.385 5 1 CGBF O=[N+]([O-])c1ccc(Nc2ccccc2S)c2nonc12 96933445 POMYXLVYTXMVAH-UHFFFAOYSA-N 288.288 3.163 5 1 CGBF COc1ccc(Cl)c2[nH]c3ccccc3c(=O)c12 58608782 XUZMQDIBGMPWAS-UHFFFAOYSA-N 259.692 3.343 5 1 CGBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2cccc(F)c12 587634877 ALFYPBVACRDQJB-QMMMGPOBSA-N 250.273 3.213 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902225 KBPVHUMHJDSWMJ-SMDDNHRTSA-N 295.298 3.040 5 1 CGBF CCc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)no1 587280064 IAYKUHZMJODKPL-UHFFFAOYSA-N 286.243 3.122 5 1 CGBF O=c1c2cc3cc(O)ccc3cc2oc2cc(O)cc(O)c12 28655170 JKHCREMVZLOXBF-UHFFFAOYSA-N 294.262 3.216 5 1 CGBF Nc1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12 299835484 WEOQQWMMYSFSHR-UHFFFAOYSA-N 268.707 3.500 5 1 CGBF Cn1cccc1-c1ccc([N+](=O)[O-])c2cccnc12 1857756366 JVGHZHTXMIIKBS-UHFFFAOYSA-N 253.261 3.149 5 1 CGBF Cc1c(Cl)c(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1772627134 LUIKJXILKRWSLT-UHFFFAOYSA-N 292.674 3.025 5 1 CGBF COc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1O 14778667 YLRNDYZYIUVEDH-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF endogenous,in-man O=[N+]([O-])c1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 1647805 LUFKXODGVTXSFK-UHFFFAOYSA-N 281.267 3.333 5 1 CGBF O=Nc1c2cc([N+](=O)[O-])ccc2n2nnc3ccccc3c12 26575775 HYOJIJMVPZJAJM-UHFFFAOYSA-N 293.242 3.342 5 1 CGBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1F 587093561 PDHROJUIVXCXGS-WHFBIAKZSA-N 289.188 3.276 5 1 CGBF Nc1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O 14659438 XQMSONSBRQAXNX-UHFFFAOYSA-N 288.310 3.033 5 1 CGBF O=C1c2ccccc2-n2c1nc1cc3ccccc3cc1c2=O 84690348 ZNHSWZYFDMOJEI-UHFFFAOYSA-N 298.301 3.083 5 1 CGBF CC(C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O 1654616 YVLHHQVCPCBZRW-UHFFFAOYSA-N 273.723 3.248 5 1 CGBF COCCCNc1cc(=O)c2ccc3ccccc3c2o1 137032198 HNYOEPBNPMNZOG-UHFFFAOYSA-N 283.327 3.395 5 1 CGBF O=[N+]([O-])c1ccc([C@@H]2C[C@H]3Cc4cc(F)ccc4N2O3)o1 299833694 ZFXTWISUPCZBBU-PWSUYJOCSA-N 290.250 3.135 5 1 CGBF Cc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587649091 PHIPPUZQBGEFJI-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=c1c2c(O)cc(O)cc2oc2oc3ccccc3c12 14858459 JJNXBAACCLQUIE-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF Cc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cn3C)o2)s1 103278120 KZOVXYMSSMOKAM-UHFFFAOYSA-N 290.304 3.020 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCCCC1 587649433 UXRTYXDIHMMICS-UHFFFAOYSA-N 259.309 3.375 5 1 CGBF Cc1c(F)ccc2c(=O)c3cccc(CC(=O)O)c3oc12 26291617 HEMUPWRWPAWCKN-UHFFFAOYSA-N 286.258 3.021 5 1 CGBF CC(=O)c1c(O)c2ccc3c(C)cccc3c2oc1=O 199832169 SABHVROFVXCDRU-UHFFFAOYSA-N 268.268 3.163 5 1 CGBF CCc1[nH]c2cc(F)ccc2c1C[C@@H](C)[N+](=O)[O-] 587636081 PUFOJOURGOOABX-MRVPVSSYSA-N 250.273 3.077 5 1 CGBF C[C@@H](C(=O)O)c1cc(O)c2c(=O)c3ccccc3ccc2c1 26400568 CYTFFERWWABCGA-SNVBAGLBSA-N 294.306 3.247 5 1 CGBF CC(C)n1c(=O)[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc21 8878 LSMURAIEDPUFAG-UHFFFAOYSA-N 297.314 3.486 5 1 CGBF Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-] 587210759 HBZGCTHGJLEYLM-UHFFFAOYSA-N 291.310 3.491 5 1 CGBF C[C@H]1CCO[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C1 586916550 AGZDZWVGCYSTDN-MADCSZMMSA-N 279.271 3.098 5 1 CGBF Cn1c(=O)c2ccccc2c2nc3ccccc3cc21 53314303 ZZSHKHCWTNEAHS-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2cc([N+](=O)[O-])ccc12 587649140 RCTQILWJYSUZDZ-UHFFFAOYSA-N 299.286 3.332 5 1 CGBF CCC[C@]1(CC)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857578249 ZNZHZXPMCFEAST-GFCCVEGCSA-N 266.277 3.121 5 1 CGBF Clc1ccc(/C=C/CN2CC[N+]3(CCCC3)CC2)cc1 29334621 VTLZWMNTMFKOJF-ONEGZZNKSA-N 291.846 3.279 5 1 CGBF Cc1ccc(-c2cc(=O)c3cc([N+](=O)[O-])ccc3[nH]2)cc1 1772614124 FQHXSSLUNKXTLJ-UHFFFAOYSA-N 280.283 3.412 5 1 CGBF O=c1c2oc3ccccc3c2oc2cc(O)cc(O)c12 13535737 NFFKOVROYSWWGK-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF O=c1c2cc(O)ccc2[nH]c2oc3ccccc3c12 26733088 PJCHLJKGOJGSNR-UHFFFAOYSA-N 251.241 3.133 5 1 CGBF CNc1nc2cc3ccccc3cc2c2c(C)cnn12 3132 MDTKQKJDAXYFCW-UHFFFAOYSA-N 262.316 3.386 5 1 CGBF Cc1nc([N+](=O)[O-])cn1-c1ccc(C(F)(F)F)cc1 95573627 WYLDZASROYUZTB-UHFFFAOYSA-N 271.198 3.108 5 1 CGBF Cc1cc(C)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587273310 GQKDZAUSPQDEBY-LLVKDONJSA-N 299.334 3.088 5 1 CGBF CC(C)c1nc2c(Cl)c3ncccc3cc2n(C)c1=O 653749312 DAFBVONSQTZEGT-UHFFFAOYSA-N 287.750 3.259 5 1 CGBF C[C@@H](C[C@H]1C[C@@H](C)C(=O)O1)[C@@H]1CCCC[N@+]2([O-])CCC[C@@H]12 2356321463 PIGOWTVLTFOGSR-WKEQQPHFSA-N 295.423 3.241 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586902221 KBPVHUMHJDSWMJ-FZMZJTMJSA-N 295.298 3.040 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1nnc2ccccc21 587647962 VUOWSWWYAYBFSU-UHFFFAOYSA-N 293.286 3.118 5 1 CGBF O=C(c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587646316 NXPASQSTQQKNMN-UHFFFAOYSA-N 290.172 3.462 5 1 CGBF COc1cc2c(cc1O)oc1oc3cc(O)ccc3c(=O)c12 13437176 OLPRHWXXQPMQNP-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF Nc1nc(N)c2cc3c(ccc4ccccc43)cc2n1 14968185 KLHFKOIXEQVMKJ-UHFFFAOYSA-N 260.300 3.101 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccnc1 587647294 UXVQYOSQZMEQMW-UHFFFAOYSA-N 296.286 3.032 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c(-c3ccoc3C3CC3)nc2c1 586901869 PVRRELXSOLQSEV-UHFFFAOYSA-N 270.248 3.004 5 1 CGBF COc1cc(-c2nc3ccccc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260776 DWGUHDGAEZFTQW-UHFFFAOYSA-N 299.286 3.155 5 1 CGBF Cc1ncc([N+](=O)[O-])n1CNc1cccc2ccccc12 98082996 SRGQJTXIGVMTFD-UHFFFAOYSA-N 282.303 3.323 5 1 CGBF Cc1c(CC(=O)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645519 XZEOOJOUVGHEPH-UHFFFAOYSA-N 286.209 3.058 5 1 CGBF CCc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587266844 BLIYNIJJIYNRQY-JTQLQIEISA-N 299.334 3.148 5 1 CGBF O=c1[nH]c2c(nc3c4ccccc4ccn32)c2ccccc12 45349420 RARIGSUTWNWABP-UHFFFAOYSA-N 285.306 3.482 5 1 CGBF COc1c(O)cc2c3c1-c1ccccc1C[C@H]3[N+](C)([O-])CC2 238786623 NMZZOEWNAGKCFR-MJTSIZKDSA-N 297.354 3.166 5 1 CGBF C[N+]1(C)CCCC[C@H]1CCC(=O)c1cccs1 13554231 NQZMPARFCJGCTO-LBPRGKRZSA-N 252.403 3.340 5 1 CGBF Cc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1C 587267995 VGENZHDIYFRXJB-NSHDSACASA-N 299.334 3.202 5 1 CGBF Nc1cccc(-c2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1 103244192 QGINGYPPWQBMAK-UHFFFAOYSA-N 297.270 3.024 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3c(Cl)cccc3oc12 27870138 LMBSHEPNOUVLPX-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF CN1Cc2ccccc2[C@@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 72105146 VKFHOFPVMOYWOW-IRXDYDNUSA-N 298.342 3.205 5 1 CGBF O=C1CCC[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586883309 AUJIVDSLLFPZQI-VIFPVBQESA-N 273.292 3.088 5 1 CGBF Cc1cc2[nH]c([C@@H]3CCCC(=O)CC3)nc2cc1[N+](=O)[O-] 586883987 FWZXCSHIOMQAKI-SNVBAGLBSA-N 287.319 3.396 5 1 CGBF Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 1629952 CQUNYLYDRYDFMB-UHFFFAOYSA-N 291.328 3.044 5 1 CGBF O=[N+]([O-])c1ccc(-c2cn3nc(Cl)sc3n2)cc1 103205255 VWHCBEABRVAJAP-UHFFFAOYSA-N 280.696 3.019 5 1 CGBF COc1cc2c(cc1OC)C[N@@+](C)(Cc1ccccc1)CC2 1772578074 ASBWRZSIUZZJBD-HXUWFJFHSA-N 298.406 3.407 5 1 CGBF Cc1oc(-c2nc3c(F)cccc3[nH]2)cc1[N+](=O)[O-] 587269660 XXQHPFWNOIYWQI-UHFFFAOYSA-N 261.212 3.179 5 1 CGBF O=[N+]([O-])c1ccc(-c2ncncc2-c2cccc(F)c2)o1 1772583531 USJGMNMAPRFUOK-UHFFFAOYSA-N 285.234 3.451 5 1 CGBF O=[N+]([O-])[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1 1616365 DABPXYGKUXLBGY-HIFRSBDPSA-N 255.273 3.008 5 1 CGBF O=C(c1ccco1)c1coc2cc([N+](=O)[O-])ccc12 587280156 LPVWJCKQGWOUOL-UHFFFAOYSA-N 257.201 3.165 5 1 CGBF Cn1c2ccccc2c(=O)n2c3ccccc3c3ccnc1c32 205571217 NPVIPRONJSQHAM-UHFFFAOYSA-N 299.333 3.493 5 1 CGBF O=C1c2cccnc2-c2nccc3c2c1nc1ccc(O)cc13 2356803770 XKDBMMZIDPNZMX-UHFFFAOYSA-N 299.289 3.095 5 1 CGBF CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1CCO 71332179 XHUIUBANZNHJEL-UHFFFAOYSA-O 291.374 3.157 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN(C)C(C)C 587646492 CIVAHOUCFGQLEK-UHFFFAOYSA-N 261.325 3.225 5 1 CGBF O=[N+]([O-])c1c(Nc2cc(F)cc(F)c2)ccc2nonc12 95598056 DDPLPWIJXPSARG-UHFFFAOYSA-N 292.201 3.153 5 1 CGBF CCOC(=O)/C=C/n1c2ccccc2c(=O)c2ccccc21 5499624 LMVRUTREENWZFD-VAWYXSNFSA-N 293.322 3.189 5 1 CGBF C[C]1C=C(C)C=CN1CC(=O)c1cccc([N+](=O)[O-])c1 2356870029 QETRGSIPVRTWAT-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF CCc1ccc(OC)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1 28759858 QROHSYMWXDEVOO-UHFFFAOYSA-N 285.299 3.397 5 1 CGBF Cc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2cc([N+](=O)[O-])ccc12 587648854 MZRXZNTYXTUPMQ-UHFFFAOYSA-N 285.259 3.078 5 1 CGBF CC[N+]1(CC)CCN(c2cccc(Br)c2)CC1 653787393 INBJDSQICAQPNW-UHFFFAOYSA-N 298.248 3.126 5 1 CGBF O=NCc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587190269 MEIFLYBGXULEGF-UHFFFAOYSA-N 282.259 3.405 5 1 CGBF COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N+](C)(C)CC3 238731638 YMYRVJLUILPKQM-OAHLLOKOSA-O 296.390 3.298 5 1 CGBF Cc1ccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587565383 FOVUNISRIKUKLJ-UHFFFAOYSA-N 283.287 3.359 5 1 CGBF CC[C@@H]1OCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586912975 POWXEPFCBWFUJV-SKDRFNHKSA-N 275.308 3.144 5 1 CGBF O=c1oc2ccc(O)cc2c2c1[nH]c1ccccc12 82151961 HHIJGCJEWLWXBM-UHFFFAOYSA-N 251.241 3.133 5 1 CGBF CCOCc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)o1 586902986 JNHQFSZJICOSDI-UHFFFAOYSA-N 287.275 3.268 5 1 CGBF COc1cc(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 14778644 OVLUQDOJWGTPHA-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF endogenous,in-man O=c1[nH]c2c(c3ccccc13)Cc1cc([N+](=O)[O-])ccc1-2 13652895 UEMVQJCVVOFVCZ-UHFFFAOYSA-N 278.267 3.008 5 1 CGBF CCN(CC)Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647318 VNMDRMSRWBQYKQ-UHFFFAOYSA-N 261.325 3.226 5 1 CGBF Nc1c(O)cc2oc3cc4ccccc4cc3c(=O)c2c1O 40917927 KQHVQYPZJOSPCH-UHFFFAOYSA-N 293.278 3.093 5 1 CGBF CN(C)CCNc1c([N+](=O)[O-])sc2ccc(Cl)cc12 5957309 ZSXCIADKDAEEHK-UHFFFAOYSA-N 299.783 3.436 5 1 CGBF CC(C)n1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280275 QTBNHGYWHZNPCZ-UHFFFAOYSA-N 299.286 3.349 5 1 CGBF CCc1nc2cccc3c2c(c1C[C@H](C)[N+](=O)[O-])CC3 587210507 DADKIIRQJIGPBK-JTQLQIEISA-N 270.332 3.104 5 1 CGBF CSc1cccc2c1c1ccnc3ccc(=O)n2c31 14593554 WNKZMIHGWYGQLX-UHFFFAOYSA-N 266.325 3.161 5 1 CGBF CC(C)Cc1ccc([C@@H](C)C(=O)OCC[N+](C)(C)C)cc1 49784171 YCSSAISHORSXBR-OAHLLOKOSA-N 292.443 3.238 5 1 CGBF Cc1cccc(-c2noc(C[C@H]3C[N+]4(C)CCC3CC4)n2)c1 1857607238 CQPQRVQCDPBDFW-PKAMJGAUSA-N 298.410 3.074 5 1 CGBF NCCCc1cc2cc[nH]c(=O)c2c2cc(Cl)ccc12 28955806 SFDHZYBETWFLFF-UHFFFAOYSA-N 286.762 3.226 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCCCC1 587649790 ZZFDWUMNQXHMLL-UHFFFAOYSA-N 259.309 3.375 5 1 CGBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2cc(F)ccc12 587635361 FOTOOSDNMXZAOB-QMMMGPOBSA-N 250.273 3.213 5 1 CGBF Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1C 36475975 SDEAVDJVSFTJMC-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF O=[N+]([O-])c1ccc2ncc(Nc3ccccc3)nc2c1 72107969 HEYWYGYHNYPEKI-UHFFFAOYSA-N 266.260 3.282 5 1 CGBF COc1cc(O)c2c(c1)cc(O)c1cccc(OC)c12 238759631 DNKMPFDERZHIMR-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1 587163180 NXLMVFLTWGAZME-RYUDHWBXSA-N 298.277 3.276 5 1 CGBF C[C@@H](c1ccccc1)[C@H]1OC[C@@H](C[N+]2(C)CCCCC2)O1 13572478 JGEAUUUFVBZFSN-JQHSSLGASA-N 290.427 3.162 5 1 CGBF CN1CCc2cccc3c2[C@@H]1Cc1ccc([N+](=O)[O-])cc1-3 1911575801 DTQPFFJVSXLYGV-INIZCTEOSA-N 280.327 3.347 5 1 CGBF Cc1ccc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587146124 AIWYLZOORFXNFS-PLNGDYQASA-N 298.277 3.484 5 1 CGBF Cc1cc(C)c2nc3c4cccnc4c(=O)cc-3oc2c1 36475993 NWZSHWHYTOKXKE-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 400367791 RFPMNTNJPSJYRR-GFCCVEGCSA-N 298.327 3.256 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccnc1 587649382 TYNISHQWFVLKRF-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF Cc1cc2[nH]c(C(C)(C)Cl)nc2cc1[N+](=O)[O-] 587008158 LAIDLLGLVBGEBH-UHFFFAOYSA-N 253.689 3.253 5 1 CGBF C[n+]1c2ccccc2cc2[nH]c3c([N+](=O)[O-])cccc3c21 26965346 PIGVRKSJWAKENN-UHFFFAOYSA-O 278.291 3.207 5 1 CGBF Cc1cccc2c1ccc1c(=O)c3c(c(=O)oc12)OC[C@@H]3C 14719966 NCZCGETXIBWAHE-JTQLQIEISA-N 294.306 3.111 5 1 CGBF O=c1c2cc(Cl)cc(Cl)c2[nH]c2cc(O)cc(O)c12 27557640 UUZPECDZRGUHLS-UHFFFAOYSA-N 296.109 3.399 5 1 CGBF COc1cc2c(C)cc(O)cc2c2cc(O)c(CO)cc12 13378142 CZTMVNXXZPVJSQ-UHFFFAOYSA-N 284.311 3.214 5 1 CGBF Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12 29043634 MZILYDLMSDTOPA-UHFFFAOYSA-N 295.269 3.235 5 1 CGBF CN1CCc2cccc3c2[C@H]1Cc1c([N+](=O)[O-])ccc(O)c1-3 27655171 DOLKXJYGUIXUEU-CQSZACIVSA-N 296.326 3.053 5 1 CGBF O=[N+]([O-])c1cccc2c(-c3ccco3)cc(O)nc12 299866596 PCLYBFJMOKYHNJ-UHFFFAOYSA-N 256.217 3.109 5 1 CGBF C[N+](C)(C)C/C=C/COC(=O)Nc1cccc(Cl)c1 6068066 LKLLOEPRSXBHEQ-SNAWJCMRSA-O 283.779 3.151 5 1 CGBF COc1ccc([N+](=O)[O-])c(Nc2ccccc2C(=O)O)c1 1772621182 WAXURAGLQIGKCE-UHFFFAOYSA-N 288.259 3.045 5 1 CGBF O=C1NC(=O)c2c1c1sccc1c1[nH]c3ccccc3c21 13554111 NZOGJQDHLOXSKF-UHFFFAOYSA-N 292.319 3.419 5 1 CGBF Cc1c(F)ccc2c1[C@@H](c1csc([N+](=O)[O-])c1)NCC2 962090244 HURNGZDVKISMDG-CQSZACIVSA-N 292.335 3.339 5 1 CGBF O=c1c2ccccc2oc2c(O)c3occc3cc12 13307978 WGGLLDDAGIXOMF-UHFFFAOYSA-N 252.225 3.398 5 1 CGBF O=S(=O)(O)Oc1cc2ccccc2c2ccccc12 13543334 YOZPSKKPTONSSV-UHFFFAOYSA-N 274.297 3.175 5 1 CGBF in-vitro O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2)cc1 59991219 VJJRVNGOHNKPHB-UHFFFAOYSA-N 288.259 3.220 5 1 CGBF O=C(O)c1cc2c(c3c1ccc1ccccc13)OCO2 14591302 QKUQFQPHGUCFMU-UHFFFAOYSA-N 266.252 3.420 5 1 CGBF biogenic,in-vitro O=C(O)C(=O)CC(=O)c1ccc2cc3ccccc3cc2c1 28645817 KTUDOJBIRJCFFU-UHFFFAOYSA-N 292.290 3.220 5 1 CGBF CC(C)Cc1ccc([C@H](C)C(=O)OCC[N+](C)(C)C)cc1 49784172 YCSSAISHORSXBR-HNNXBMFYSA-N 292.443 3.238 5 1 CGBF Cc1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c(C)n1 587268872 MQGBGQRROJDQKT-UHFFFAOYSA-N 272.264 3.051 5 1 CGBF CCCC1=Cc2cc3c(cc2[C@H]1[N+](C)(C)C)OCO3 40496876 YXRBXFNJPHGRNC-INIZCTEOSA-N 260.357 3.360 5 1 CGBF C[N+]1(C)CCCC[C@H]1CCC(=O)c1ccc(F)cc1 13554236 SQZRWTSJUPZFND-HNNXBMFYSA-N 264.364 3.418 5 1 CGBF Cc1ccsc1-c1ncnn1-c1ccc([N+](=O)[O-])cc1 758145 QBJPUUURHJSGSC-UHFFFAOYSA-N 286.316 3.212 5 1 CGBF O=c1oc2cc3oc4ccccc4c3cc2cc1CO 26743651 BXPIYFZNKJKUQF-UHFFFAOYSA-N 266.252 3.185 5 1 CGBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)cn1 587646979 BKDOOAYGNNDRIH-UHFFFAOYSA-N 270.292 3.268 5 1 CGBF Cc1ccc([S@](=O)c2ccccc2[N+](=O)[O-])cc1 6487949 NLGBOIUKPNEXTR-GOSISDBHSA-N 261.302 3.070 5 1 CGBF Cc1cc(C)n2c1C=C(c1ccc([N+](=O)[O-])cc1)C2=O 653721520 WJNMSZHXPMZECV-UHFFFAOYSA-N 268.272 3.208 5 1 CGBF O=[N+]([O-])c1cc2nc(-c3cncc(F)c3)[nH]c2cc1Cl 587176602 APDAREQSZOSLET-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF OCCNc1c2ccccc2nc2c1[nH]c1ccccc12 13675782 TYFHDUKKZIHAGM-UHFFFAOYSA-N 277.327 3.274 5 1 CGBF CC1(C)OC(=O)Nc2ccc(-c3ccc([N+](=O)[O-])[nH]3)cc21 26280754 SSSVZQDFTSCDPK-UHFFFAOYSA-N 287.275 3.387 5 1 CGBF C/C(=C\c1cc(-c2ccc([N+](=O)[O-])cc2)cs1)C(N)=O 653729301 FYBMUXULFFDCIH-RMKNXTFCSA-N 288.328 3.212 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587962750 ZYHRFFHCSZRQEQ-AAEUAGOBSA-N 294.314 3.212 5 1 CGBF Cc1c(-c2nc3cncc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587261048 QPTARBZEISZTSP-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF O=[N+]([O-])c1cccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586898797 OXZZIHXXDRGDOW-UHFFFAOYSA-N 295.298 3.257 5 1 CGBF O=[N+]([O-])c1cccc2[nH]c(CO)c(-c3ccc(F)cc3)c12 587646096 SYDVNOKEMXAPRK-UHFFFAOYSA-N 286.262 3.375 5 1 CGBF Cc1cc(CC(=O)O)c2oc3c(C)cccc3c(=O)c2c1 26282298 VRPWFJXFRKTEFA-UHFFFAOYSA-N 282.295 3.190 5 1 CGBF COc1ccc2nc3oc(=O)ccc3c(Cl)c2c1 45496333 CNXXEDUEBPWXNN-UHFFFAOYSA-N 261.664 3.003 5 1 CGBF COc1cc2c3c(cc4ccccc4c3c1O)N(C=O)CC2 198811775 CBULCCZPHJKXAA-UHFFFAOYSA-N 293.322 3.226 5 1 CGBF O=c1oc2cc(O)ccc2c2c1[nH]c1ccccc12 82153073 PQILTUGKKMWZPN-UHFFFAOYSA-N 251.241 3.133 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccn1 587649678 XAFZZRLMUKYSCE-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=c1c2cc3ccccc3cc2[nH]c2cc(O)cc(O)c12 26467763 JXKRPSRYCOPTAI-UHFFFAOYSA-N 277.279 3.246 5 1 CGBF O=C1CCC[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586883308 AUJIVDSLLFPZQI-SECBINFHSA-N 273.292 3.088 5 1 CGBF Cc1cc2c3cc(O)ccc3[nH]c2c2c[n+](C)ccc12 29467886 RCIJCCCPIPJFQG-UHFFFAOYSA-O 263.320 3.313 5 1 CGBF Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)cccc1[N+](=O)[O-] 587261166 XCFVKGGYKVFAKR-UHFFFAOYSA-N 297.270 3.145 5 1 CGBF O=[N+]([O-])c1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 587090742 WXGOMEPBEIJURD-UHFFFAOYSA-N 290.229 3.006 5 1 CGBF O=c1oc2ccc(O)cc2c2c1[nH]c1ccc(F)cc12 73197374 GIYXHNYUWKLSPE-UHFFFAOYSA-N 269.231 3.272 5 1 CGBF CC[N+]1(CC)CCN(c2ccccc2Cl)CC1 653791853 FNAJYTSRXDKNHA-UHFFFAOYSA-N 253.797 3.017 5 1 CGBF Cc1ccc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587146125 AIWYLZOORFXNFS-SNAWJCMRSA-N 298.277 3.484 5 1 CGBF O=[N+]([O-])c1cccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587178086 PHOHTFGQFNYRMB-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF C[C@@H](F)[C@@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587122273 CGQLHKTXSZDSOC-ANRSDYALSA-N 295.321 3.017 5 1 CGBF O=[N+]([O-])c1ccc([C@H](O)CCc2ccccc2)cc1 1857582630 UOXCRSSLJNBXAQ-OAHLLOKOSA-N 257.289 3.261 5 1 CGBF O=[N+]([O-])c1cccc(-c2nc3ccccc3n3cncc23)c1 205863365 KMOQTVWXBQQYMA-UHFFFAOYSA-N 290.282 3.458 5 3 CGBF CCOC(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646207 LPWNNCATVHADDQ-UHFFFAOYSA-N 284.218 3.190 5 1 CGBF Cc1ccc(C)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 587269686 YTFBVNZFPFNZIO-UHFFFAOYSA-N 297.318 3.095 5 1 CGBF O=C(O)C(=O)CC(=O)c1cc2ccccc2c2ccccc12 28645814 IKECCCIWJQNGSY-UHFFFAOYSA-N 292.290 3.220 5 1 CGBF CCN(C)Cc1cnc2cc3ccncc3cc2c1 29571328 CPVQMKKRCFMCRR-UHFFFAOYSA-N 251.333 3.235 5 1 CGBF CC(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645259 MZCLBQVBFUDVFK-UHFFFAOYSA-N 272.182 3.298 5 1 CGBF COc1cc2c(=O)n3ccc4cccc(c2cc1OC)c43 14677571 QCFCSXRONIUIKL-UHFFFAOYSA-N 279.295 3.061 5 1 CGBF CNC[C@H](O)c1cc2ccccc2c2ccccc12 169331903 LMHGYTGALAVMLU-KRWDZBQOSA-N 251.329 3.246 5 1 CGBF COC(=O)c1c(O)c2ccccc2c2nc(C)ccc12 653781618 NSHZNIHEZSPMTJ-UHFFFAOYSA-N 267.284 3.189 5 1 CGBF C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C=CCCC1 2356872906 ZBWDXRYBOKLOHH-AWEZNQCLSA-N 261.277 3.250 5 1 CGBF Cc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1 473082656 KIEHVXGXJXATPF-UHFFFAOYSA-N 280.287 3.151 5 1 CGBF CCc1nccn1-c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647802 QDQMAGVOLLTEOC-UHFFFAOYSA-N 270.292 3.133 5 1 CGBF COC(=O)c1cc2c([nH]c3cccc(N)c32)c2[nH]ccc12 84690329 WVAKUYMIOIVUES-UHFFFAOYSA-N 279.299 3.171 5 1 CGBF CC[C]1C=CN(CC(=O)c2cccc([N+](=O)[O-])c2)C=C1 2356872650 OGFWIYREYKMIQH-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF CN1CCc2cccc3c2[C@H]1Cc1ccc([N+](=O)[O-])cc1-3 1911575802 DTQPFFJVSXLYGV-MRXNPFEDSA-N 280.327 3.347 5 1 CGBF O=[N+]([O-])c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586897970 BYQYEBNOLIHUOF-UHFFFAOYSA-N 295.298 3.257 5 1 CGBF O=C1Nc2ccc3cc4ccccc4nc3c2CO1 28022872 RJJLBNDNUALQTQ-UHFFFAOYSA-N 250.257 3.450 5 1 CGBF O=[N+]([O-])c1ccccc1C1=N[C@@H](c2ccccc2)CO1 40767216 RNWYXLYZTFUGQU-CYBMUJFWSA-N 268.272 3.113 5 1 CGBF COc1c(O)ccc2c1ccc1cc(O)cc(OC)c12 5999044 FEKWNIUACHRZJW-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF biogenic Cn1c(=O)c2ccccc2c2c3cccnc3ccc21 53314306 RYHHQSSLNXJZAM-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF O=[N+]([O-])c1cn(-c2cc(Cl)ccc2Cl)cn1 95578286 TUWJAUYMKAINAA-UHFFFAOYSA-N 258.064 3.087 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 587160046 DKSHDHINMCXAAI-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF O=[N+]([O-])c1cc2nsnc2cc1-c1ccccc1 1857640965 GXUVUGOKERDPRT-UHFFFAOYSA-N 257.274 3.267 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3cccc(Cl)c3oc12 28769877 JKFXBNWIQYOKCF-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF O=[N+]([O-])c1ccccc1C1=N[C@H](c2ccccc2)CO1 40767213 RNWYXLYZTFUGQU-ZDUSSCGKSA-N 268.272 3.113 5 1 CGBF CCCC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCC1 586877688 KKNSQZSUIBACQW-UHFFFAOYSA-N 260.297 3.088 5 1 CGBF Cn1c2ccccc2c(=O)n2ccc3c4ccccc4nc-3c12 238761189 MDNQNRDFRKTVKG-UHFFFAOYSA-N 299.333 3.444 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586887274 FXOFEGBDNJUSID-LGXCGXJNSA-N 298.346 3.334 5 1 CGBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1[N+](=O)[O-])O2 587391777 YSYBYJCGULVCLV-HNNXBMFYSA-N 298.298 3.192 5 1 CGBF CCCCCOCc1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 169308210 KDKMHOQFKVPJGI-UHFFFAOYSA-N 290.319 3.143 5 1 CGBF CCCCCc1ccc2c(c1)c([N+](=O)[O-])cc[n+]2[O-] 169315512 PDHDAEAANORWJV-UHFFFAOYSA-N 260.293 3.114 5 1 CGBF COc1cc2c(OC)c(O)cc(O)c2c2ccccc12 238785125 LGNHTYCEIDOZRR-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF Cc1cc2c(=O)c3ccccc3sc2c(C)c1C(N)=O 13606028 UVWOXFWSLVUGSO-UHFFFAOYSA-N 283.352 3.130 5 1 CGBF COc1cc2ccc3cc(O)ccc3c2c(O)c1OC 70455344 YQCHQMQSSOKCIR-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF biogenic,in-vitro Cc1nn(C)c(C)c1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587647997 XOPRAVYJZVMRHH-UHFFFAOYSA-N 284.319 3.402 5 1 CGBF Cc1cc(C)n2c1C=C(c1ccccc1[N+](=O)[O-])C2=O 653721528 YDLQJCOEUMXPDQ-UHFFFAOYSA-N 268.272 3.208 5 1 CGBF O=[N+]([O-])c1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587177686 UHPGGXKGPCZBBL-UHFFFAOYSA-N 297.249 3.154 5 1 CGBF COc1cc2c[n+](C)c3ccc(C)cc3c2cc1OC 169349267 DFQIFVKDQRHMSB-UHFFFAOYSA-N 268.336 3.143 5 1 CGBF COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1 1841341 LVSQMNHBBYWRRX-UHFFFAOYSA-N 281.588 3.028 5 1 CGBF O=C(O)/C=C\c1cccc(-c2cccc([N+](=O)[O-])c2)c1 198912979 HYAFIZTXGDBMTF-FPLPWBNLSA-N 269.256 3.360 5 1 CGBF in-vitro Cc1sc2c(c1C)CCN[C@H]2c1ccc([N+](=O)[O-])o1 963035221 ZYFDYGMFCCAAGX-LBPRGKRZSA-N 278.333 3.101 5 1 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@@H]3C[C@H]4CC[C@@H]3N4)c2)c1 29123212 TUHXLFZVXVMYDP-PVAVHDDUSA-N 295.342 3.265 5 1 CGBF COc1ccc2[nH]c(C(=O)c3cccc([N+](=O)[O-])c3)cc2c1 13470994 HSFDWXOMTXSONT-UHFFFAOYSA-N 296.282 3.316 5 1 CGBF CCN(CC)CCc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587646680 GVXDTZTZYYOLCB-UHFFFAOYSA-N 275.352 3.269 5 1 CGBF O=C(Nc1cc2ccccc2o1)c1ccc([N+](=O)[O-])o1 1857551159 RNSSLNMDVWXUBF-UHFFFAOYSA-N 272.216 3.186 5 1 CGBF CC(C)CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82161678 VOWKOGBWODGPID-UHFFFAOYSA-N 272.308 3.120 5 1 CGBF COC(=O)c1cc2cc[nH]c(=O)c2c2cc(Cl)ccc12 28955779 ZCBWAWFZAIIZNK-UHFFFAOYSA-N 287.702 3.121 5 1 CGBF O=[N+]([O-])c1ccc(/C=C/c2cc(O)cc(O)c2)cc1 34002944 JJNQRIBTBNZQBJ-OWOJBTEDSA-N 257.245 3.176 5 1 CGBF N[C]1Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 2356837479 HZSRFCWMWKXXBA-UHFFFAOYSA-N 286.336 3.113 5 1 CGBF CSc1nc2cc3nc4ccccc4nc3cc2[nH]1 299864249 QYWXTKSTTHKCJT-UHFFFAOYSA-N 266.329 3.381 5 1 CGBF O=[N+]([O-])c1cccc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897289 YVCGRSODCAYKHC-UHFFFAOYSA-N 295.298 3.257 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587174328 OLNWXOCKLVNFPJ-AWEZNQCLSA-N 299.261 3.286 5 1 CGBF Cc1ccc([N+](=O)[O-])c(C)c1N1C(=O)c2ccccc2C1=O 27081638 MIPFGYOAOOCZCH-UHFFFAOYSA-N 296.282 3.012 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@@H]3C[C@H]4CC[C@H]3N4)c2)cc1 261086528 CRROBCHEYASOQD-HYVNUMGLSA-N 295.342 3.265 5 1 CGBF in-vitro CCC[C@@]1(CC)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857578250 ZNZHZXPMCFEAST-LBPRGKRZSA-N 266.277 3.121 5 1 CGBF COc1cccc2c(OC)c3c(C)cc(=O)[nH]c3c(OC)c12 59110799 LWNCVZAIYGAIFG-UHFFFAOYSA-N 299.326 3.016 5 1 CGBF Clc1cccc(/C=C/CN2CC[N+]3(CCCC3)CC2)c1 29323333 WOUHCVGOZZVKNL-GQCTYLIASA-N 291.846 3.279 5 1 CGBF C[N+](C)(C)C[C@@H]1C[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336774 SWDNIGTZUQHJGU-RYUDHWBXSA-O 297.806 3.231 5 1 CGBF CC1=CC(C)=CN(CC(=O)c2cccc([N+](=O)[O-])c2)[CH]1 2356861066 OMAWKLRHDWBDNC-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF COc1ccc(/C=C\c2ccc(O)cc2)cc1[N+](=O)[O-] 103193073 AIRYZGQMUBQGOX-IHWYPQMZSA-N 271.272 3.479 5 1 CGBF Cc1cc(=O)c2c(O)cc3cc4c(cc3c2o1)CCC4 2356566298 YOTILLVRCXJGFX-UHFFFAOYSA-N 266.296 3.449 5 1 CGBF O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(CO)[nH]c2c1 587645402 AEXDWXFLKXHNPC-UHFFFAOYSA-N 286.262 3.375 5 1 CGBF O=[N+]([O-])c1ccc(Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 28815576 FPJHWNBKMLJUQP-UHFFFAOYSA-N 299.242 3.235 5 1 CGBF CC(=O)Oc1ccc([N+](C)(C)Cc2ccccc2)cc1 13586883 VTNCHRGQONOQRD-UHFFFAOYSA-N 270.352 3.379 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3ccc4c(c3oc12)CCC4 26285841 IZBSGMUDNONQRY-UHFFFAOYSA-N 294.306 3.062 5 1 CGBF CCCCn1c(=O)c2ccccc2c2cc(CO)ccc21 49112339 UULXHXIRZISPDW-UHFFFAOYSA-N 281.355 3.447 5 1 CGBF Cc1occc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280034 YWGHWNWWRBVNGS-UHFFFAOYSA-N 271.228 3.473 5 1 CGBF Cc1ccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1N 587250156 IYYCAGRBKKDROM-UHFFFAOYSA-N 296.330 3.147 5 1 CGBF CC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160045 DKMDZPRYHNJGKE-UHFFFAOYSA-N 299.261 3.480 5 1 CGBF O=[N+]([O-])c1cccc2nc(CCc3ccccc3F)[nH]c12 587151364 XLAWHESFCNIBMN-UHFFFAOYSA-N 285.278 3.395 5 1 CGBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccccc2)o1 1772598700 WZYVBNDFKZEVAI-UHFFFAOYSA-N 267.244 3.312 5 1 CGBF CC[C@@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586913764 SHMBDMZRFFHYMZ-OQPBUACISA-N 293.298 3.283 5 1 CGBF COc1ccc(-c2c[nH]cc2[N+](=O)[O-])c(Cl)c1 6483995 RKIJLMAGSQPZEX-UHFFFAOYSA-N 252.657 3.252 5 1 CGBF C=Cc1cccc2c3cc4c(cc3c(=O)n(C)c12)OCO4 53224530 YQHNYKGLYYHNQH-UHFFFAOYSA-N 279.295 3.063 5 1 CGBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccsc3)[nH]c12 587025380 JMLRSLZSWYGRHV-OWOJBTEDSA-N 272.289 3.098 5 1 CGBF COc1cc2ccc3cc(O)c(OC)c4c(=O)oc(c1)c2c34 14817710 WKQJTOJHYRWLLX-UHFFFAOYSA-N 296.278 3.260 5 1 CGBF C[N+](C)(C)CC1c2ccccc2Cc2ccccc21 27729206 XQPVDYZHVQVGKP-UHFFFAOYSA-N 252.381 3.429 5 1 CGBF COc1c(O)c(C)cc2ccc3c(O)ccc(O)c3c12 238787254 BAKVIITVJQHARX-UHFFFAOYSA-N 270.284 3.427 5 1 CGBF COc1ccc2c(n1)[nH]c1c3ccncc3cc(C#N)c21 217063120 RWAVDFHFFDMSHX-UHFFFAOYSA-N 274.283 3.145 5 1 CGBF c1cnc2c(c1)c1nc([C@H]3CCOC3)[nH]c1c1cccnc12 586912964 YQBJIICAAZOBHI-JTQLQIEISA-N 290.326 3.163 5 1 CGBF O=[N+]([O-])c1cc2nc(-c3ncccc3Cl)[nH]c2cc1F 587064606 FCFFIBFCKYLLDC-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF O=C(O)c1cccc2c(-c3ccccc3)c(C[N+](=O)[O-])[nH]c12 587637751 HJYBEROHUCYVQW-UHFFFAOYSA-N 296.282 3.310 5 1 CGBF CN1CCN(c2ccc3ccc4ccccc4c3n2)CC1 13778650 XCCYSXCGVQKPIY-UHFFFAOYSA-N 277.371 3.140 5 1 CGBF Cc1ccc(CNc2ccc3nonc3c2[N+](=O)[O-])cc1 95595888 BIIYEWRJZFDONN-UHFFFAOYSA-N 284.275 3.052 5 1 CGBF O=[N+]([O-])c1ccc2nonc2c1Nc1cccc(F)c1 4093893 GLJCCEDDOAERAB-UHFFFAOYSA-N 274.211 3.014 5 3 CGBF Cc1[nH]c2cccc(F)c2c1-n1nc([N+](=O)[O-])cc1C 587636159 SIGLBOWXGZIATI-UHFFFAOYSA-N 274.255 3.018 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cc1 261086525 CRROBCHEYASOQD-DJIMGWMZSA-N 295.342 3.265 5 1 CGBF in-vitro COC(=O)c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)c[nH]1 587649759 ZFSKVTASDYHOOE-UHFFFAOYSA-N 299.286 3.166 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586887281 FXOFEGBDNJUSID-ZZTKVPBPSA-N 298.346 3.334 5 1 CGBF Cc1nc(Nc2cccc([N+](=O)[O-])c2)c(C)c(C)c1O 1772633915 CJAHOXNMOQIFDR-UHFFFAOYSA-N 273.292 3.364 5 1 CGBF O=[N+]([O-])c1cncc2nc(-c3coc4cc(F)ccc34)[nH]c12 587174210 GITIKOOOWJOGPE-UHFFFAOYSA-N 298.233 3.418 5 1 CGBF CC[C@H]1OCCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586913975 SUOCZENPDKCHOW-ZWNOBZJWSA-N 275.308 3.144 5 1 CGBF COc1ccc(C(=O)O)c(Nc2cccc([N+](=O)[O-])c2)c1 84652346 MCACNFODOSSNSR-UHFFFAOYSA-N 288.259 3.045 5 1 CGBF O=[N+]([O-])c1cccc2c(NCc3ccccc3)ncnc12 13743127 YPNFBKKXWWCFEI-UHFFFAOYSA-N 280.287 3.150 5 1 CGBF O=C1CCC[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586883983 FTHDJSMVZATSTB-VIFPVBQESA-N 273.292 3.088 5 1 CGBF Cn1[nH]c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32 27182158 ZFXSSTGJKRFGEC-UHFFFAOYSA-N 266.260 3.116 5 1 CGBF CCc1[nH]c2cc(F)ccc2c1C[C@H](C)[N+](=O)[O-] 587636083 PUFOJOURGOOABX-QMMMGPOBSA-N 250.273 3.077 5 1 CGBF COc1cc2cnc3ccc(O)cc3c2cc1OC 95584247 UNOLDHIJNNVCNK-UHFFFAOYSA-N 255.273 3.111 5 1 CGBF COc1ccc2c3c(cc4ccccc4c13)N(C)C(=O)C2=O 28863128 VGQBXSIGVURYAG-UHFFFAOYSA-N 291.306 3.161 5 1 CGBF CCc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268571 FGRQRMJLVUIAML-UHFFFAOYSA-N 297.318 3.041 5 1 CGBF Cc1[nH]c2cc(F)ccc2c1-n1nc([N+](=O)[O-])cc1C 587636303 VIZVCGOPXZJGBN-UHFFFAOYSA-N 274.255 3.018 5 1 CGBF O=[N+]([O-])c1cccc(-c2nc3ccccc3s/c2=N/O)c1 102605892 DLGICIKRBTUOMV-JQIJEIRASA-N 299.311 3.161 5 1 CGBF COc1cc(O)cc2ccc3cc(O)cc(O)c3c12 85644253 QWNYWLSVBXIELE-UHFFFAOYSA-N 256.257 3.118 5 1 CGBF biogenic,in-vitro O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(F)c3[nH]2)c1 587160406 QVOYDFNIEYLDGJ-UHFFFAOYSA-N 275.214 3.416 5 1 CGBF CC(=O)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587649387 UEOOARXRDOZPJM-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF Nc1cc2cn[nH]c2c2c1[nH]c1ccc(Cl)cc12 96906969 CXOGMHHZAJNIEH-UHFFFAOYSA-N 256.696 3.433 5 1 CGBF O=[N+]([O-])c1cccc2nc(-c3cnc(Cl)s3)[nH]c12 587023647 SJGGFZHDYVQHMG-UHFFFAOYSA-N 280.696 3.248 5 1 CGBF O=c1cc(-c2ccccc2)oc2cc(O)c([N+](=O)[O-])cc12 13797572 KJSLXXZBGFZOAH-UHFFFAOYSA-N 283.239 3.074 5 1 CGBF in-vivo C[N+](C)(C)C/C=C\COC(=O)Nc1ccc(Cl)cc1 90188504 GKSNCHMDNGXEJL-PLNGDYQASA-O 283.779 3.151 5 1 CGBF CC(C)(C)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1 14970282 UBNPBAOYSKCJKM-UHFFFAOYSA-N 294.354 3.210 5 1 CGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1Cl 40973035 ZTTACEOVEZDAQW-VOTSOKGWSA-N 263.684 3.152 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cncc(Cl)c3[nH]2)c1 587160083 FVOZXESEMUUOFQ-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnccc3[nH]2)c1F 587139847 PYCMJNBYLWWJOI-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF CCC1=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)[CH]C=C1 2356842490 KEECLHIOXADJRX-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF CC[C@H](C)n1cnc2c(c(C)nc3ccccc32)c1=O 82154108 CZUQSTULSUWFLR-JTQLQIEISA-N 267.332 3.224 5 1 CGBF CCOc1cc(O)c2c(=O)c3ccccc3oc2c1 40893524 ONWMTQHXUUVTQY-UHFFFAOYSA-N 256.257 3.051 5 1 CGBF CCOc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1O 82152555 XKBWDYOZZHDRQB-UHFFFAOYSA-N 299.286 3.242 5 1 CGBF CC(C)(Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587008244 MMRHPDNWDUWWMR-UHFFFAOYSA-N 257.652 3.084 5 1 CGBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2cccc(F)c12 587634876 ALFYPBVACRDQJB-MRVPVSSYSA-N 250.273 3.213 5 1 CGBF CC(=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587648322 CIXLVCQZLLASHK-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF CC1(C)Oc2c(ccc3c(=O)c4ccccc4oc23)C[C@H]1O 13434295 FUBPCSSXWZUKKN-CQSZACIVSA-N 296.322 3.021 5 1 CGBF Cc1cc(Cl)n2nc3nc4ccccc4cc3c2n1 299870550 WJSORSXXYUOSNJ-UHFFFAOYSA-N 268.707 3.393 5 1 CGBF CCc1[nH]c2cccc(F)c2c1C[C@H](C)[N+](=O)[O-] 587636386 ZNLOHJZRHYESDB-QMMMGPOBSA-N 250.273 3.077 5 1 CGBF Cc1c(-c2nc3c(C)nccc3[nH]2)cccc1[N+](=O)[O-] 587261067 RLRLRIFQMKEFMX-UHFFFAOYSA-N 268.276 3.150 5 1 CGBF O=[N+]([O-])c1cccc(-c2noc(NC3CCCCC3)n2)c1 66259754 KRSBMLBDMFLGJR-UHFFFAOYSA-N 288.307 3.389 5 1 CGBF CC1(C)CCc2cnn(-c3ccc([N+](=O)[O-])cc3)c2C1 621485684 FMDWLVGRNQVDOP-UHFFFAOYSA-N 271.320 3.295 5 1 CGBF O=[N+]([O-])c1cccc(CCc2nc3ccccc3[nH]2)c1 587270962 YEPFXYRZASIPQT-UHFFFAOYSA-N 267.288 3.256 5 1 CGBF COc1ccc2c(c1)c[n+](C)c1ccc(Cl)cc21 169349272 ICTVMDKEUMPSQN-UHFFFAOYSA-N 258.728 3.480 5 1 CGBF O=[N+]([O-])c1cc2[nH]ncc2c2c1[nH]c1ccccc12 96272479 OEZGLXNWDIQDMU-UHFFFAOYSA-N 252.233 3.106 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586904928 WSUCLIJRUPXIHS-SWLSCSKDSA-N 295.298 3.040 5 1 CGBF CC[C@H](O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586901662 WCWCFFPEICQQAA-NSHDSACASA-N 278.315 3.103 5 1 CGBF C[N+]1(COC(=O)C2(c3ccccc3)CCCC2)CCCC1 27546750 UPTREWRZHIYVKX-UHFFFAOYSA-N 288.411 3.240 5 1 CGBF O=[N+]([O-])c1cc(O)ccc1/C=C/c1ccc(O)cc1 35855893 AHZWSAWFJSAERL-DAFODLJHSA-N 257.245 3.176 5 1 CGBF CON1C(=O)c2cc3c(c4c2c1cc1ccccc14)OCO3 148009831 OEOYYNBHVCHDIR-UHFFFAOYSA-N 293.278 3.243 5 1 CGBF Cc1ccc(-n2cc([N+](=O)[O-])nc2C)cc1Br 95574791 NETUQCPSYJBYJG-UHFFFAOYSA-N 296.124 3.160 5 1 CGBF COc1cccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587931947 RKODBKGHDCCFGT-UHFFFAOYSA-N 297.314 3.265 5 1 CGBF NC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 587256294 DTNQWKBOKBOZHV-UHFFFAOYSA-N 294.742 3.109 5 1 CGBF O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1 2009060 ITOJPDNONZGUKB-UHFFFAOYSA-N 278.352 3.240 5 1 CGBF in-vivo O=C(CN1[CH]C=Cc2ccccc21)c1cccc([N+](=O)[O-])c1 2356829009 UODNJTCSCWAYOM-UHFFFAOYSA-N 293.302 3.473 5 1 CGBF COc1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587931382 OKRRHHHGXCMUNH-UHFFFAOYSA-N 283.287 3.071 5 1 CGBF O=c1c(-c2cccc([N+](=O)[O-])c2)coc2ccccc12 38921097 UMXPNLHOCVFZBC-UHFFFAOYSA-N 267.240 3.368 5 1 CGBF O=c1c2ccccc2oc2c1oc1cc(O)ccc12 3990276 RZHHVKKRRILLMX-UHFFFAOYSA-N 252.225 3.398 5 1 CGBF C[C]1C=CC(O)=C(CCc2ccc([N+](=O)[O-])cc2)N1 2356842497 MBUAPMODVDSJJU-UHFFFAOYSA-N 259.285 3.008 5 1 CGBF CCCC[C@@H]1[C@H](O)CCC[C@@]12CCCC[N+]2(C)C 27998123 UUBPJEKTUBNTEF-OAGGEKHMSA-N 254.438 3.337 5 1 CGBF Nc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645642 GDBOBANPRQRXBB-UHFFFAOYSA-N 271.251 3.464 5 1 CGBF O=C1c2cccc([N+](=O)[O-])c2CN1C12C[C@@H]3CC1C[C@H](C3)C2 1857653221 ZUXMNAQGTXQRQG-BICYXFJUSA-N 298.342 3.129 5 1 CGBF O=[N+]([O-])c1c(Br)ccc2nc(CC3CC3)[nH]c12 587958624 BZVWALCKJNLUHJ-UHFFFAOYSA-N 296.124 3.186 5 1 CGBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)cn1 587647604 JYURYKLTXZVFBN-UHFFFAOYSA-N 270.292 3.268 5 1 CGBF C[C@@H](C(=O)O)c1cccc2c(=O)c3ccccc3oc12 26724424 BCOAPTQZEDIQFI-SECBINFHSA-N 268.268 3.134 5 1 CGBF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@+]2(C)CC1CC1 1857755210 GDVNFXZPWNQYOU-XVVDYKMHSA-O 286.439 3.471 5 1 CGBF COc1ccc2c(Cl)c3ccc(=O)oc3nc2c1 45496349 WFPNLAHDUYXIHL-UHFFFAOYSA-N 261.664 3.003 5 1 CGBF O=[N+]([O-])c1ccc2c(S)c(C(F)(F)F)[nH]c2c1 587645255 MUAMBPXPRLWYSP-UHFFFAOYSA-N 262.212 3.384 5 1 CGBF COc1ccc2c(c1)CC[N@+]1(C)CCc3ccccc3[C@H]21 253778443 ICPCBSSZIHJQET-UXHICEINSA-N 280.391 3.343 5 1 CGBF O=C(CN1[CH]C=Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 2356844881 LPVZIASURMPTTB-UHFFFAOYSA-N 293.302 3.473 5 1 CGBF O=c1[nH]c2c(c3ccccc13)Cc1ccc([N+](=O)[O-])cc1-2 13652894 SWBDUXDIPMGDNO-UHFFFAOYSA-N 278.267 3.008 5 1 CGBF in-vivo Cn1nc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2[nH]1 587275090 TXTYGGSLPBPWGV-UHFFFAOYSA-N 293.286 3.025 5 1 CGBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccc(O)cc3)nc2c1 103209855 ZENCBUUHQKYYSV-FPYGCLRLSA-N 281.271 3.347 5 1 CGBF Cc1ccc2c(c1)[nH]c1c(=O)oc3ccc(O)cc3c12 82153925 JQRITCPIFGESHJ-UHFFFAOYSA-N 265.268 3.442 5 1 CGBF Cc1ccc(-c2nnc(-c3cc([N+](=O)[O-])c[nH]3)o2)s1 103281412 QIMZTERATZSWBR-UHFFFAOYSA-N 276.277 3.010 5 1 CGBF COc1ccc2[nH]c3c(ccc4c3ccc[n+]4C)c2c1 29464347 UPFBNKLWTISWLC-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3cccc(O)c3)nc2c1 45319513 JEFCYGZYWCZZJN-QPJJXVBHSA-N 281.271 3.347 5 1 CGBF Cc1c(-c2nc3cncc(C)c3[nH]2)cccc1[N+](=O)[O-] 587261199 YHMLDDYYPNCEFO-UHFFFAOYSA-N 268.276 3.150 5 1 CGBF Cc1oc2c(NC(=O)C(F)(F)F)cccc2c1[N+](=O)[O-] 169337793 NVSCYDKMCOOLRI-UHFFFAOYSA-N 288.181 3.150 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN1CCCCC1 587649095 PQMUAYRGGNPXTJ-UHFFFAOYSA-N 273.336 3.370 5 1 CGBF CNC(=O)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647056 NWNJOAHTHKIIMB-UHFFFAOYSA-N 295.298 3.103 5 1 CGBF C[C]1C=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)C=C1C 2356843178 NNNMGVJMECYLSO-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF Cc1cc2nc3c4cccnc4c(=O)cc-3oc2cc1C 36475974 RBPNPPNDZBLGIF-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF O=[N+]([O-])c1ccc(O[P@@H](=O)Oc2ccccc2)cc1 78196676 YGTLRZOYPNTDJW-UHFFFAOYSA-N 279.188 3.442 5 1 CGBF in-vitro O=C(Nc1ccccc1F)Nc1ccc(O)cc1[N+](=O)[O-] 45394001 XINNTLAMGNJQLW-UHFFFAOYSA-N 291.238 3.084 5 1 CGBF Cc1c(F)ccc2c1[C@H](c1csc([N+](=O)[O-])c1)NCC2 962090240 HURNGZDVKISMDG-AWEZNQCLSA-N 292.335 3.339 5 1 CGBF C[C@H]1C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21 13860651 LNVQXGBSKPORAW-SECBINFHSA-N 268.272 3.317 5 1 CGBF Cc1cc(C)cc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587565016 UGBJLOSFCNPSCR-UHFFFAOYSA-N 298.302 3.062 5 1 CGBF COC(=O)[C@H]1[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 103193862 DQPAPFOAUVUXTR-YSDIBMRGSA-N 275.304 3.053 5 1 CGBF O=c1cc[nH]c2c(Cl)c(Cl)c3ncccc3c12 28713561 VUDJNGNVWVJIDE-UHFFFAOYSA-N 265.099 3.383 5 1 CGBF O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CC2)cc1 32267182 MHGHKCBKUYUBGT-UHFFFAOYSA-N 267.288 3.209 5 1 CGBF O=[N+]([O-])c1cn(-c2cccc(Cl)c2Cl)cn1 95578950 GWTVDIGKYXFYPU-UHFFFAOYSA-N 258.064 3.087 5 1 CGBF Cc1c(O)cc2oc3oc4ccccc4c3c(=O)c2c1O 1857759132 FNNDBFKFZOOWCV-UHFFFAOYSA-N 282.251 3.412 5 1 CGBF Cc1ccc2c(c1)-c1nc3cc([N+](=O)[O-])ccc3n1CCO2 299857063 CIJHTMWPSWHFCE-UHFFFAOYSA-N 295.298 3.312 5 1 CGBF O=[N+]([O-])c1cnc2c(c1)Sc1cc(F)ccc1N2 1857744420 SNQLMVUCPNOXBY-UHFFFAOYSA-N 263.253 3.337 5 1 CGBF Nc1cccc2[nH]c3c(cc(C(=O)O)c4cc[nH]c43)c12 84690330 YGILXASZKKBFQZ-UHFFFAOYSA-N 265.272 3.083 5 1 CGBF COc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 95571895 CXQKOKHKWHQSOQ-UHFFFAOYSA-N 283.287 3.001 5 1 CGBF CCCCn1cnc2c(c(C)nc3ccccc32)c1=O 73197186 RJSIMUIKGJKEED-UHFFFAOYSA-N 267.332 3.053 5 1 CGBF Cc1ccc(-c2cc(NCC(C)C)ncn2)cc1[N+](=O)[O-] 82161700 VSVYCYYFZYLYJQ-UHFFFAOYSA-N 286.335 3.428 5 1 CGBF CN(C)CCN=c1c2ccccc2ccc2ccccc12 27078477 XMWUMXZFPJNLQO-UHFFFAOYSA-N 276.383 3.455 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587174331 OLNWXOCKLVNFPJ-CQSZACIVSA-N 299.261 3.286 5 1 CGBF CC1(C)CCCc2c1cc([N+](=O)[O-])c(F)c2[N+](=O)[O-] 103192617 YGURNZMIGZHASV-UHFFFAOYSA-N 268.244 3.256 5 1 CGBF COc1c2ccccc2c(OC)c2c(C)cc(=O)[nH]c12 5891851 UAOWKPPYWUJTPK-UHFFFAOYSA-N 269.300 3.007 5 1 CGBF biogenic,in-vitro CCc1[nH]c2cccc(F)c2c1C[C@@H](C)[N+](=O)[O-] 587636385 ZNLOHJZRHYESDB-MRVPVSSYSA-N 250.273 3.077 5 1 CGBF O=[N+]([O-])c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2O)cc1 587647816 QKVBLWSPAYWPIT-UHFFFAOYSA-N 299.242 3.357 5 1 CGBF C[N+](C)(C)C[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13858584 ICKYAYPRNVIBMO-SFHVURJKSA-N 298.406 3.009 5 1 CGBF Cc1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270795 PLZATJFIFNCGCR-ZDUSSCGKSA-N 296.330 3.022 5 1 CGBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874445 AYSMJEGQTITAIJ-UHFFFAOYSA-N 298.233 3.087 5 1 CGBF Cc1cc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c(C)n1 587260894 LAQSITCTDKJQRM-UHFFFAOYSA-N 282.303 3.458 5 1 CGBF Cc1cnc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1 587261035 QGZCJYDVVVKDNB-UHFFFAOYSA-N 268.276 3.150 5 1 CGBF Cc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1C 169322638 CZGGZIVRUCPQTQ-UHFFFAOYSA-N 268.268 3.261 5 1 CGBF COCc1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 653783651 FRFBLMVWKUAKFK-UHFFFAOYSA-N 292.238 3.370 5 1 CGBF CC[C@H](C)c1ccc2[nH]c(C)c(-n3cnc([N+](=O)[O-])n3)c2c1 587643396 UCHRSVDJRBWRGW-VIFPVBQESA-N 299.334 3.479 5 1 CGBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902219 KBPVHUMHJDSWMJ-BXUZGUMPSA-N 295.298 3.040 5 1 CGBF Cc1coc2ncnc(Nc3ccc([N+](=O)[O-])cc3)c12 1857769069 HSLMLJQXCZBKHQ-UHFFFAOYSA-N 270.248 3.183 5 1 CGBF Cc1c([C@H](C)CN(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646901 MTUJELGCHPRDOW-SECBINFHSA-N 261.325 3.050 5 1 CGBF C[N+]1(C)CCCC[C@@H]1CCC(=O)c1cccs1 13554230 NQZMPARFCJGCTO-GFCCVEGCSA-N 252.403 3.340 5 1 CGBF CCc1cc2c3[nH]c4cc(O)ccc4c3cc[n+]2nc1CC 26578819 QLJBIHHMHOHUAN-UHFFFAOYSA-O 292.362 3.285 5 1 CGBF O=[N+]([O-])c1cccc(CCc2nc3cccc(F)c3[nH]2)c1 587270286 LHMXTQGUMABBRP-UHFFFAOYSA-N 285.278 3.395 5 1 CGBF c1cnc2c(c1)c1nc([C@@H]3CCOC3)[nH]c1c1cccnc12 586912966 YQBJIICAAZOBHI-SNVBAGLBSA-N 290.326 3.163 5 1 CGBF CN1CCN(c2ccnc3cc4ccccc4cc23)CC1 5966575 JTLCUNYMHJZHIW-UHFFFAOYSA-N 277.371 3.140 5 1 CGBF O=[N+]([O-])c1ccc([C@H](c2ccccc2)n2ccnc2)cc1 28239113 LEMIWZFXIZYJKQ-INIZCTEOSA-N 279.299 3.429 5 1 CGBF COc1cc2c(CO)cc(O)cc2c2cc(O)c(C)cc12 13378143 MMSPECXNGYRUTA-UHFFFAOYSA-N 284.311 3.214 5 1 CGBF CC/C(C)=C(/N)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647651 LFSREDPPFXXITH-RIYZIHGNSA-N 259.309 3.484 5 1 CGBF Nc1cc(/C=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12 5758576 HWMSDNFONMZTMZ-WAYWQWQTSA-N 281.271 3.489 5 1 CGBF Cc1ccc([S@@](=O)c2ccccc2[N+](=O)[O-])cc1 5888954 NLGBOIUKPNEXTR-SFHVURJKSA-N 261.302 3.070 5 1 CGBF OP(O)(O)=c1c2ccccc2ccc2ccccc12 169721650 MSKWRXJYOZCIRJ-UHFFFAOYSA-N 272.240 3.264 5 1 CGBF O=[N+]([O-])c1cc2nc(-c3occ4c3CCC4)[nH]c2cc1F 586905128 HBRMBIMHCHOVSS-UHFFFAOYSA-N 287.250 3.359 5 1 CGBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Oc2ccccc21 103169429 HMHLDZDEZCGZRA-HNNXBMFYSA-N 269.256 3.301 5 1 CGBF C[C@]1(c2ccccc2)ON=C(c2ccc([N+](=O)[O-])s2)O1 49112730 KBZFAUKYZWXXPR-CYBMUJFWSA-N 290.300 3.238 5 1 CGBF Cc1ccc2oc3cccc4c(=O)[nH]nc(c2c1)c34 141390133 YPBUEKBNJUMBCZ-UHFFFAOYSA-N 250.257 3.131 5 1 CGBF Cc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2cccc([N+](=O)[O-])c12 587649673 WYBZFYGWNYPANO-UHFFFAOYSA-N 285.259 3.078 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccncc1 587648326 CMJRZLZXMBIUCE-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cccc1[N+](=O)[O-] 587260877 KFLQXAINOVTGQB-UHFFFAOYSA-N 298.258 3.355 5 1 CGBF COc1ccc2c(c1)cc1[nH]c3ccccc3c1[n+]2C 28477230 NQENVJWOAGDNGG-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF C[N+]1(C)CC=C(COC(=O)Nc2cccc(Cl)c2)CC1 28759632 OGFYUTHIPRVLOL-UHFFFAOYSA-O 295.790 3.295 5 1 CGBF Cc1cc(OCCn2c([N+](=O)[O-])cnc2C)ccc1Cl 1857548337 ZUHWCEKABVEDHJ-UHFFFAOYSA-N 295.726 3.141 5 1 CGBF COc1c2cc[n+]([O-])cc2c(OC)c2c1[nH]c1ccccc12 238751016 HWQCOQDCQMDFHM-UHFFFAOYSA-N 294.310 3.125 5 1 CGBF O=C(O)c1cc2c(-c3ccccc3)ccc([N+](=O)[O-])c2[nH]1 103242907 ZEWPEEZXWBUZPQ-UHFFFAOYSA-N 282.255 3.441 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)nc1n2CCOc2ccccc2-1 299867642 QLPKQQXJYOCBBB-UHFFFAOYSA-N 281.271 3.004 5 1 CGBF C[C@H](F)[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587122276 CGQLHKTXSZDSOC-AYVTZFPOSA-N 295.321 3.017 5 1 CGBF C[C@@H](F)[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587122277 CGQLHKTXSZDSOC-GLEZIHRCSA-N 295.321 3.017 5 1 CGBF COc1cccc(C[N+](C)(C)Cc2ccccc2)c1 13586887 WZXIGBHYDVBXDB-UHFFFAOYSA-N 256.369 3.472 5 1 CGBF N=C(N)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)sc2c1 45391556 SHCDPNDDZNHAAN-UHFFFAOYSA-N 298.327 3.156 5 1 CGBF CCC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C 587956675 UJRUTAIYEJUILS-SECBINFHSA-N 262.313 3.406 5 1 CGBF Cc1cccc2c1ccc1c(=O)c3c(oc(=O)c12)OC[C@H]3C 14679542 MHQNSWVXEZWTNS-SNVBAGLBSA-N 294.306 3.111 5 1 CGBF O=[N+]([O-])c1cccc(-c2cc(-c3cccnc3)on2)c1 1857634680 YVNINOKLOPHWHW-UHFFFAOYSA-N 267.244 3.312 5 1 CGBF Cn1nc(OCCc2ccccc2)c2cc([N+](=O)[O-])ccc21 95574819 MPUIKYDSLAKMGW-UHFFFAOYSA-N 297.314 3.103 5 1 CGBF Cc1nc(C)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)o1 587279782 AOCTWLBCXZQTRX-UHFFFAOYSA-N 286.243 3.177 5 1 CGBF O=Nc1c2[nH]c3ccccc3[n+]([O-])c-2c2ccccc12 101496756 FGPNGERSNAXZQI-UHFFFAOYSA-N 263.256 3.457 5 1 CGBF C[C@@]1(c2ccc3ccc4ccccc4c3c2)NC(=O)NC1=O 26663179 ALBRKUHVWDVWRO-SFHVURJKSA-N 290.322 3.048 5 1 CGBF Cc1cc(O)cc(Sc2ccc([N+](=O)[O-])cc2)c1O 1772611987 HANASIKZSDYCQJ-UHFFFAOYSA-N 277.301 3.466 5 1 CGBF COc1cc2c(cc1OC)C[N@+](C)(Cc1ccccc1)CC2 1772578072 ASBWRZSIUZZJBD-FQEVSTJZSA-N 298.406 3.407 5 1 CGBF CC[P@@](=O)(OCCF)Oc1ccc([N+](=O)[O-])cc1 95603246 FFISJZWGESQECX-GOSISDBHSA-N 277.188 3.173 5 1 CGBF CCN(CC)C(=O)n1c2ccccc2c(=O)c2ccccc21 95580238 DRDBQTMAQZKVRA-UHFFFAOYSA-N 294.354 3.465 5 1 CGBF Cc1c(O)ccc2c1ccc1cc(O)cc(CO)c12 14490561 YSNKFAHYHSTRNF-UHFFFAOYSA-N 254.285 3.205 5 1 CGBF C[C@H]1C[C@@H]2CCCC[N+]2([O-])[C@@H](C[C@@H]2CCCCN2)C1 205010590 IUFKMBVXFBNPQA-RDEFKLACSA-N 266.429 3.184 5 1 CGBF CC[C@@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26579121 DIVKDPWYANGAOE-AWEZNQCLSA-N 292.360 3.086 5 1 CGBF CSCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279808 BFZSMRFNZNBPCI-UHFFFAOYSA-N 265.290 3.277 5 1 CGBF O=[N+]([O-])c1cc2nc(CC3CC3)[nH]c2cc1Cl 587958667 FHLRATJSWSWTPQ-UHFFFAOYSA-N 251.673 3.077 5 1 CGBF Cc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587649347 SHLPARYSWMUMIR-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=c1cc2c3cccnc3sn2c2ccccc12 27895931 OPOSGFLPSGGETN-UHFFFAOYSA-N 252.298 3.062 5 1 CGBF O=[N+]([O-])c1cccc(/N=c2\cc(O)oc3ccccc23)c1 621472585 WXWHOVFLKPFYGD-DTQAZKPQSA-N 282.255 3.279 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162636 JYJNOKOKEGMSRV-GHMZBOCLSA-N 298.277 3.276 5 1 CGBF CNc1c(-c2ccc(O)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646469 AZACIAZLCKQMBE-UHFFFAOYSA-N 283.287 3.490 5 1 CGBF Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)cc(C)c12 28571556 XWSXOSVPGQCPDX-UHFFFAOYSA-N 270.284 3.283 5 1 CGBF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC[N+](C)(C)C)O2 6149 CYFUJFPQQKYUKZ-GOSISDBHSA-O 292.443 3.497 5 1 CGBF Cc1c2cnccc2c(CO)c2[nH]c3ccc(O)cc3c12 27526987 UJRMEHZNDPATBF-UHFFFAOYSA-N 278.311 3.376 5 1 CGBF Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cccc1[N+](=O)[O-] 587260801 FZUKUEVNDASQLW-UHFFFAOYSA-N 298.258 3.355 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 587055087 RGNHOMWXGSSNDO-UHFFFAOYSA-N 289.678 3.497 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(F)cc3[nH]2)c1 587160475 TUJGEDCHMGEUCA-UHFFFAOYSA-N 275.214 3.416 5 1 CGBF O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2s1 26664968 NGWRFPUBBONZGG-UHFFFAOYSA-N 272.285 3.165 5 1 CGBF in-vivo O=[N+]([O-])c1ccc(Cc2nc3ccccc3o2)cc1 28814941 PAYFKLJVGWALEQ-UHFFFAOYSA-N 254.245 3.327 5 1 CGBF CCc1ccccc1SC(=O)OCC[N+](C)(C)C 13765297 QKHHDZBHOMQEPG-UHFFFAOYSA-N 268.402 3.184 5 1 CGBF C[C@]1(c2ccc3ccc4ccccc4c3c2)NC(=O)NC1=O 26663185 ALBRKUHVWDVWRO-GOSISDBHSA-N 290.322 3.048 5 1 CGBF CC(C)(C)OCc1cc(O)nc2c([N+](=O)[O-])cccc12 299861066 HQQLKTDLPMSIKB-UHFFFAOYSA-N 276.292 3.164 5 1 CGBF C[n+]1c2ccc(F)cc2cc2[nH]c3c([N+](=O)[O-])cccc3c21 28826849 HKQYKAMOXOYKSU-UHFFFAOYSA-O 296.281 3.346 5 1 CGBF C[N@@+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 255245081 NHRRLWUDUAIRAB-AUUYWEPGSA-N 295.338 3.180 5 1 CGBF C[C]1C=C(C)C=CN1CC(=O)c1ccc([N+](=O)[O-])cc1 2356859003 WIDPSHKLOXCBID-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CN1CCCCC1 587649139 RBUILCOMCZOTTF-UHFFFAOYSA-N 273.336 3.370 5 1 CGBF Cc1oc(-c2nc3ncc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268874 MRRURKPAGMBOIA-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF O=[N+]([O-])c1cccc2nc(COc3ccc(F)cc3)[nH]c12 587170949 VJPPVAOPKMJITJ-UHFFFAOYSA-N 287.250 3.189 5 1 CGBF O=[N+]([O-])c1ccc([C@@H](O)Cc2ccc3ccccc3n2)cc1 17299133 KDEMWCFSSHWZFE-KRWDZBQOSA-N 294.310 3.419 5 1 CGBF C[C@@H]1CCCc2c1cc([N+](=O)[O-])c(F)c2[N+](=O)[O-] 103192321 ZJRHYIJTIMFINV-ZCFIWIBFSA-N 254.217 3.082 5 1 CGBF O=C(CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 136583606 YWQLVECBARBVHI-UHFFFAOYSA-N 255.273 3.410 5 1 CGBF CCc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587266845 BLIYNIJJIYNRQY-SNVBAGLBSA-N 299.334 3.148 5 1 CGBF CC(C)(C)[C@H](N)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587258099 YGSIABWUXPZMKM-SNVBAGLBSA-N 282.731 3.170 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@@H]3C[C@@H]4CC[C@@H]3N4)c2)cc1 100580108 CRROBCHEYASOQD-XIRDDKMYSA-N 295.342 3.265 5 1 CGBF O=C(c1nccs1)c1coc2cc([N+](=O)[O-])ccc12 587280729 WBJFLAZRWISXMS-UHFFFAOYSA-N 274.257 3.029 5 1 CGBF CC(=O)SCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280299 RPJVWIANMOHJSL-UHFFFAOYSA-N 293.300 3.194 5 1 CGBF COc1cc(C)c(N)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587249121 JCHCTGFDWCXAHS-UHFFFAOYSA-N 298.302 3.037 5 1 CGBF O=[N+]([O-])c1ccc([C@@H](O)CCc2ccccc2)cc1 1857582629 UOXCRSSLJNBXAQ-HNNXBMFYSA-N 257.289 3.261 5 1 CGBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccc(F)cc2)o1 1772575430 WAESIYSOJKIFGH-UHFFFAOYSA-N 285.234 3.451 5 1 CGBF CC[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586892755 WEKUXODTMLQQJX-CPFSXVBKSA-N 290.279 3.283 5 1 CGBF C[N+]1(C)CCC(COC(=O)Nc2cccc(Cl)c2)CC1 28760087 HDZWWEKCXADDLR-UHFFFAOYSA-O 297.806 3.375 5 1 CGBF Cc1nn(-c2c(C)[nH]c3cc(F)ccc23)c(C)c1[N+](=O)[O-] 587635137 DOSBXUZZDPDFIF-UHFFFAOYSA-N 288.282 3.326 5 1 CGBF O=C1CCC[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586885228 ZCAIDCIZLQUZRU-MRVPVSSYSA-N 291.282 3.227 5 1 CGBF CCSc1nc2cccc([N+](=O)[O-])c2n1CC 1620465 MHSJTQISLUPKOQ-UHFFFAOYSA-N 251.311 3.076 5 1 CGBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 586885403 MSOOTJMRMGKXMI-DCAQKATOSA-N 297.314 3.110 5 1 CGBF CO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 28755386 SOWPEYSRAIOKBM-GOSISDBHSA-N 275.197 3.153 5 1 CGBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(S)c12 587645177 KGLUVCDMCJAYRM-UHFFFAOYSA-N 262.212 3.384 5 1 CGBF CC(=O)n1c2ccccc2c2c1cc1ccccc1[n+]2C 38539495 FYHAJWZGRZHKMZ-UHFFFAOYSA-N 275.331 3.432 5 1 CGBF O=[N+]([O-])c1cnc(O)c(-c2cc3c4c(cccc4n2)CC3)c1 587210475 CPHJXPOTGRLEQX-UHFFFAOYSA-N 293.282 3.009 5 1 CGBF Cc1ccc(C)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267885 TWEUSEAZXTXIKN-NSHDSACASA-N 299.334 3.202 5 1 CGBF Nc1ccc2oc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2c1 587252775 LPKARIQQACGCES-UHFFFAOYSA-N 294.270 3.467 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587160259 OGNSEYJARHYZOL-UHFFFAOYSA-N 297.249 3.154 5 1 CGBF CCCc1cc(=O)oc2c1c(O)cc1oc([N+](=O)[O-])cc12 169342971 BVVOVRAFKBHMRD-UHFFFAOYSA-N 289.243 3.106 5 1 CGBF CCc1nc2cccc3c2c(c1C[C@@H](C)[N+](=O)[O-])CC3 587210509 DADKIIRQJIGPBK-SNVBAGLBSA-N 270.332 3.104 5 1 CGBF O=C(O)c1cc2ccccc2c(=O)c2ccccc12 139827595 FARZBWPCWVZMSF-UHFFFAOYSA-N 250.253 3.051 5 1 CGBF Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1 5892088 SSTLRZVPJLDOCV-UHFFFAOYSA-N 290.344 3.360 5 1 CGBF O=[N+]([O-])c1ccc2nc(Cc3ccc(F)cc3)oc2c1 40423692 MYQYDSPBTPETID-UHFFFAOYSA-N 272.235 3.466 5 1 CGBF Cc1c(O)ccc2c1ccc1c3c(c(O)cc12)C(=O)OCC3 144166383 JDBSBPUNBBBQRY-UHFFFAOYSA-N 294.306 3.426 5 1 CGBF Cc1cc(C)n2c1C=C(c1cccc([N+](=O)[O-])c1)C2=O 653721469 IOOYXUNJASMVRX-UHFFFAOYSA-N 268.272 3.208 5 1 CGBF COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2 2356716772 XNVOJWKKMDDSMB-UHFFFAOYSA-N 296.322 3.458 5 1 CGBF CCCC[n+]1ccc2c3ccccc3n3c(=O)ccc1c23 38239188 MKOQZQVHXYFAIZ-UHFFFAOYSA-N 277.347 3.131 5 1 CGBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccccc2F)o1 1772612244 WNYQWPKYYHVKKJ-UHFFFAOYSA-N 285.234 3.451 5 1 CGBF COc1cccc(C)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587787017 PCMVFPKNWHJXCF-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF CCCC[C@@]1(C)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857578726 JGMHXSJWJPOXEC-LBPRGKRZSA-N 266.277 3.121 5 1 CGBF COc1ccc(C(=Cc2ccccc2[N+](=O)[O-])C(=O)O)cc1 1857623585 ICWNENJXDATFIQ-UHFFFAOYSA-N 299.282 3.229 5 1 CGBF C1=C(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCO1 586911962 BEJDBABARVAUOC-UHFFFAOYSA-N 288.310 3.421 5 1 CGBF c1ccc2c(c1)nc1n2sc2nc3ccccc3n21 245933 JWVPHZLCUDBYMT-UHFFFAOYSA-N 264.313 3.350 5 1 CGBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)F 587280130 KMNHPJXMVAGMOZ-UHFFFAOYSA-N 291.156 3.424 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3N4)c2)cc1 29123211 CRROBCHEYASOQD-OIISXLGYSA-N 295.342 3.265 5 1 CGBF CC(=O)Oc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1 2021268 SBYPTEFRZCCJLI-UHFFFAOYSA-N 271.228 3.420 5 1 CGBF COC(=O)Cc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1 2013592 CTJWKNJBDMVUEQ-UHFFFAOYSA-N 285.255 3.210 5 1 CGBF O=c1cc(N2CCSCC2)oc2c1ccc1ccccc12 3112 IIWOVJPSKUAWDA-UHFFFAOYSA-N 297.379 3.499 5 1 CGBF in-vivo O=C(O)Cc1cc(Cl)cc2c(=O)c3ccccc3oc12 27890065 AZNWSPKGRQJNFC-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF Clc1ccccc1/C=C/CN1CC[N+]2(CCCC2)CC1 29324270 HTEUHZWPQXUCQS-FNORWQNLSA-N 291.846 3.279 5 1 CGBF Cc1c(O)cc(C)c2c1oc(=O)c1c(C)c(O)ccc12 28571555 YMCNZULRQVDFCL-UHFFFAOYSA-N 270.284 3.283 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 33848416 GEAUJEFXEUWJQP-UHFFFAOYSA-N 297.339 3.185 5 1 CGBF Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 400304310 ZDXPZTZTHXSWBG-UHFFFAOYSA-N 282.303 3.074 5 1 CGBF Cn1cnc(C(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1 988819 JQTASZHXYGRTEI-UHFFFAOYSA-N 271.198 3.014 5 3 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@H]3C[C@@H]4CC[C@@H]3N4)c2)c1 100580191 TUHXLFZVXVMYDP-UAGQMJEPSA-N 295.342 3.265 5 1 CGBF CC[N+](CC)(CC)CC1=CC(C)(C)N([O])C1(C)C 101964888 STYIRFURQMGWEV-UHFFFAOYSA-N 254.418 3.008 5 1 CGBF Nc1ccc([N+](=O)[O-])c(-c2cc3c4c(cccc4n2)CC3)c1 587211543 STXXWTKYMZCTEX-UHFFFAOYSA-N 291.310 3.491 5 1 CGBF O=C(O)[C@@H](F)c1cccc2c(=O)c3ccccc3oc12 26724440 SNEXPAJGBZEMBR-LBPRGKRZSA-N 272.231 3.041 5 1 CGBF CCOc1cc(O)c2c(=O)c3ccccc3n(CC)c2c1 64560230 LYLNHCYCSXXVQK-UHFFFAOYSA-N 283.327 3.279 5 1 CGBF O=C1c2c(O)ccnc2-c2nccc3c2c1nc1ccccc13 5543919 MCTCVKDGNCPADW-UHFFFAOYSA-N 299.289 3.095 5 1 CGBF biogenic O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586904927 WSUCLIJRUPXIHS-IUODEOHRSA-N 295.298 3.040 5 1 CGBF O=[N+]([O-])c1cccc(Nc2cccc3onc(O)c23)c1 1857651139 ZAPDKXUKNQUCIO-UHFFFAOYSA-N 271.232 3.185 5 1 CGBF Cn1c(=O)c2ccccc2c2ccc3cnccc3c21 53294709 RNXOAGMRXFJDHR-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF CCSc1nc2cc3ccccc3cc2c(=O)o1 27526598 BWNXGZCQEVDDCY-UHFFFAOYSA-N 257.314 3.453 5 1 CGBF CCCC[C@@H]1[C@@H](O)CCC[C@]12CCCC[N+]2(C)C 28007275 UUBPJEKTUBNTEF-OWCLPIDISA-N 254.438 3.337 5 1 CGBF CC1=CN2[CH]C=CC=C2N1Cc1ccccc1[N+](=O)[O-] 2356819393 ROBYZICEVGHBQX-UHFFFAOYSA-N 268.296 3.147 5 1 CGBF O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)C(Cl)=C1Cl 653738060 IHVOPRZJYJTKLF-YVMONPNESA-N 286.070 3.182 5 1 CGBF CCOc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1C 587779711 FAHLFJZQDLLVGO-UHFFFAOYSA-N 298.302 3.240 5 1 CGBF Cc1nc(C)c(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 587010803 CRJQTJJTSMLNKL-UHFFFAOYSA-N 288.332 3.135 5 1 CGBF O=Cc1cc(O)c2nccc3c4ccccc4[nH]c1c23 14718112 YKIJUADOHYRDSQ-UHFFFAOYSA-N 262.268 3.387 5 1 CGBF CC[C]1C=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)C=C1 2356809506 PRUKUOYANBDVOH-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134673 USDCDSJUYJUULN-UHFFFAOYSA-N 291.213 3.122 5 1 CGBF Cc1c(-c2nc3c(C)ccnc3[nH]2)cccc1[N+](=O)[O-] 587261028 PZYGAQBMPKXWHT-UHFFFAOYSA-N 268.276 3.150 5 1 CGBF CNc1c(-c2ccc(O)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587647380 XSRBBTCSURYIQY-UHFFFAOYSA-N 283.287 3.490 5 1 CGBF Cc1oc(-c2nc3nccc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268579 FOEYYAJIOFOCAT-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF O=[N+]([O-])c1cccc(C2=N[C@@H](c3ccccc3)CO2)c1 8680152 CWEUOFZYWXGAGU-CQSZACIVSA-N 268.272 3.113 5 3 CGBF aggregator Cc1nc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)o1 587280123 KFICSDZJZKSDBQ-UHFFFAOYSA-N 286.243 3.177 5 1 CGBF CC[C@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586913762 SHMBDMZRFFHYMZ-AMIZOPFISA-N 293.298 3.283 5 1 CGBF O=C(O)c1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1)CC2 29311839 VXEHXFMIAAOAEY-AWEZNQCLSA-N 298.298 3.392 5 1 CGBF O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 49125517 DKYXQOUMWSLJPK-UHFFFAOYSA-N 284.231 3.046 5 1 CGBF O=[N+]([O-])c1nn2cc(-c3ccc(Cl)cc3)nc2s1 103205259 LALTXSNYDYHIQP-UHFFFAOYSA-N 280.696 3.019 5 1 CGBF CN1C(=O)C(=N)c2c3ccccc3c(O)c3cccc1c23 103523710 ITOXPULUQWORIC-UHFFFAOYSA-N 276.295 3.043 5 1 CGBF O=[N+]([O-])c1c(O)c(F)c(OCc2ccccc2)c(F)c1F 27714473 XNWNAJGWAMWNLA-UHFFFAOYSA-N 299.204 3.297 5 1 CGBF Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587146511 OKZBNOQAJRSVHJ-SNAWJCMRSA-N 298.277 3.484 5 1 CGBF O=c1c2cc(Br)ccc2oc2c(O)cccc12 1772579455 UQHBNXFKJIHXSU-UHFFFAOYSA-N 291.100 3.414 5 1 CGBF C[N+]1(C)CC=C(COC(=O)Nc2ccc(Cl)cc2)CC1 28758658 QNDLIWNTOUJFFU-UHFFFAOYSA-O 295.790 3.295 5 1 CGBF COc1cccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)c1 98082709 FZGGUDGXXHICGY-INIZCTEOSA-N 297.314 3.042 5 1 CGBF Cc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45387281 JDKDJPABXADLJT-UHFFFAOYSA-N 287.275 3.253 5 1 CGBF Cc1c(F)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587132324 AVSDUIYCNMOTIK-UHFFFAOYSA-N 290.229 3.120 5 1 CGBF CCOC(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646634 YVFSOAAMYDYPPG-UHFFFAOYSA-N 284.218 3.190 5 1 CGBF Cc1ccc2nc3c4cccnc4c(=O)cc-3oc2c1 27617300 SQFVGZXBAUOTRW-UHFFFAOYSA-N 262.268 3.149 5 1 CGBF O=[N+]([O-])c1cccnc1-n1nc2cc1Oc1ccc(F)cc1-2 587874661 HJZCRLAXDHZQRJ-UHFFFAOYSA-N 298.233 3.087 5 1 CGBF O=[N+]([O-])c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587089319 AFDUFHBGTLHCMH-UHFFFAOYSA-N 290.229 3.006 5 1 CGBF O=C(CC(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280145 LGRYYNOOALFKTA-UHFFFAOYSA-N 273.166 3.476 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1 587163178 NXLMVFLTWGAZME-NWDGAFQWSA-N 298.277 3.276 5 1 CGBF C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)nc1 36079928 JSGRTNOWLCESCT-MDZDMXLPSA-N 283.395 3.337 5 1 CGBF CCC(=O)Nc1ccc2nc3ccccc3nc2c1 96935016 NSXNBXQQESCJFB-UHFFFAOYSA-N 251.289 3.132 5 1 CGBF COc1ccc(Cn2c(C)nc3c([N+](=O)[O-])cccc32)cc1 653699477 XLXILPLIEUTWGH-UHFFFAOYSA-N 297.314 3.310 5 1 CGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1 11183230 SJPPVGKVERANLW-QPJJXVBHSA-N 263.684 3.152 5 1 CGBF O=[N+]([O-])c1cncc2nc(CC3CCCCCC3)[nH]c12 587959814 AVUILEKXABCIBB-UHFFFAOYSA-N 274.324 3.379 5 1 CGBF CC[C@@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586908721 CYDNCNUDNMXTHL-HZMBPMFUSA-N 289.335 3.452 5 1 CGBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587645051 IUWWCOQVXSOBBD-UHFFFAOYSA-N 286.209 3.384 5 1 CGBF C[N+](C)(C)c1cccc(OC(=O)Nc2ccccc2)c1 5764684 NNRIFORGOBQWPJ-UHFFFAOYSA-O 271.340 3.494 5 1 CGBF O=C(CCc1ccccc1)c1nc2c([N+](=O)[O-])cccc2[nH]1 587954219 JBCKJHWTJBDHNC-UHFFFAOYSA-N 295.298 3.287 5 1 CGBF CCn1c(=O)c2c3cc(O)ccc3oc2c2ccc(O)cc21 6371739 DWGAZJCGYUTYHE-UHFFFAOYSA-N 295.294 3.332 5 1 CGBF Oc1cc(Br)cc2nc3ccccc3nc12 72139634 LSZDAAOLTYKZJP-UHFFFAOYSA-N 275.105 3.251 5 1 CGBF COc1ccc2c3c(cc4ccc(O)cc4c13)NC2=O 238731322 ZKXBFLQGGFVSGB-UHFFFAOYSA-N 265.268 3.273 5 1 CGBF CSCC(C)(C)c1nc2cccc([N+](=O)[O-])c2[nH]1 586968709 HXFQWXKIQWSFMT-UHFFFAOYSA-N 265.338 3.112 5 1 CGBF CC(=O)c1ccc2ccc3ccc(C(=O)O)cc3c(=O)c2c1 169347793 KGMYALJEEWOBTI-UHFFFAOYSA-N 292.290 3.254 5 1 CGBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)ccc12 13820380 OPUYQGBDVLHIPY-UHFFFAOYSA-N 283.239 3.074 5 1 CGBF CC[C@@H]1OCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586913765 SHMBDMZRFFHYMZ-SDBXPKJASA-N 293.298 3.283 5 1 CGBF Cc1cc(C)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587273318 GQKDZAUSPQDEBY-NSHDSACASA-N 299.334 3.088 5 1 CGBF O=C(O)Cc1cccc2c(=O)c3ccc(Cl)cc3oc12 27879617 OARNIFDUTWBPLW-UHFFFAOYSA-N 288.686 3.227 5 1 CGBF O=Cc1cc(-c2cccc3ncccc23)cc([N+](=O)[O-])c1O 169699606 LFFOXNMZCQIGTC-UHFFFAOYSA-N 294.266 3.328 5 1 CGBF O=[N+]([O-])c1cccc(C2=N[C@H](c3ccccc3)CO2)c1 8680151 CWEUOFZYWXGAGU-AWEZNQCLSA-N 268.272 3.113 5 3 CGBF aggregator COc1ccccc1N1CC[N+]2(CCc3ccccc32)CC1 66073923 VRELKRIEQIVGJY-UHFFFAOYSA-N 295.406 3.079 5 1 CGBF CC[C@@H](CO)Nc1cc(=O)c2ccc3ccccc3c2o1 140333506 FGKQSKYSWGGZLD-LBPRGKRZSA-N 283.327 3.129 5 1 CGBF Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2cccc3c2c1CC3 587210428 BCXRGQRATXMJQM-SNVBAGLBSA-N 270.332 3.240 5 1 CGBF Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587275062 RYQBXKDNPFHMJB-UHFFFAOYSA-N 299.334 3.169 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586887140 FEVQNTSFLRFQEI-YPIXOSSWSA-N 298.346 3.334 5 1 CGBF COc1cccc(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)c1 1857741961 YYRHLLBVFIMNOJ-UHFFFAOYSA-N 299.282 3.229 5 1 CGBF O=[N+]([O-])c1cccc2[nH]c(-c3cnc4ccccc4n3)nc12 13678113 RDSFCGCNTCJZOD-UHFFFAOYSA-N 291.270 3.081 5 1 CGBF in-vivo O=[N+]([O-])c1ccc(Sc2cc(O)ccc2O)cc1 584621644 GTVOKTAGNUKTIZ-UHFFFAOYSA-N 263.274 3.157 5 1 CGBF COc1cc(OC)c2c(=O)c3cccc(C)c3n(C)c2c1 5579751 MKURHQVLLURQMZ-UHFFFAOYSA-N 283.327 3.017 5 1 CGBF COc1ccc(-c2cn(C)cc2[N+](=O)[O-])c(Cl)c1 6523752 VCKOZFRVDJJXOS-UHFFFAOYSA-N 266.684 3.262 5 1 CGBF COc1ccc(N(C)c2nc(C)ccc2[N+](=O)[O-])cc1 95595340 HVLDLIUZYYWVOI-UHFFFAOYSA-N 273.292 3.075 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccncc1 587649485 VTXOUNPUIAOGFE-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF O=C1c2[nH]ccc2-c2nc3ccccc3c3ccnc1c23 14693396 PVXMQTLZLSMWSM-UHFFFAOYSA-N 271.279 3.323 5 1 CGBF Cc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587274149 NAPZKLCKIIUXDN-NSHDSACASA-N 299.334 3.088 5 1 CGBF Cn1nc2ccc([N+](=O)[O-])cc2c1OCc1ccccc1 95574251 ZIWMLZCCIJMJGI-UHFFFAOYSA-N 283.287 3.061 5 1 CGBF O=[N+]([O-])c1cc2cn[nH]c2c2c1[nH]c1ccccc12 96272481 OSHXOLFPPORXMW-UHFFFAOYSA-N 252.233 3.106 5 1 CGBF Cc1[nH]cnc1Cn1ccc2ccc3ccccc3c2c1=O 4797 LBJFLLRDVFSCMY-UHFFFAOYSA-N 289.338 3.235 5 1 CGBF O=C(c1cscn1)c1coc2cc([N+](=O)[O-])ccc12 587280733 WHDNROFATQRACD-UHFFFAOYSA-N 274.257 3.029 5 1 CGBF O=C(c1ccc(F)nc1)c1coc2cc([N+](=O)[O-])ccc12 587280216 OKFOSGFDDWFLJB-UHFFFAOYSA-N 286.218 3.106 5 1 CGBF N=C=C1c2ccc([N+](=O)[O-])cc2[N+](=O)N1c1ccccc1 169693954 OJFIECBCXIBGGZ-UHFFFAOYSA-N 281.251 3.030 5 1 CGBF O=[N+]([O-])c1ccc2nc(CNc3ccccc3)cnc2c1 98083401 JACUVBULUPBZPL-UHFFFAOYSA-N 280.287 3.150 5 1 CGBF COc1cc(O)c2c(=O)c3cccc(Cl)c3n(C)c2c1 27556382 WIOACTBZYKLOBS-UHFFFAOYSA-N 289.718 3.059 5 1 CGBF CCCCNc1cc(O)nc2c([N+](=O)[O-])cccc12 299862606 JXIZUSHITBXROH-UHFFFAOYSA-N 261.281 3.061 5 1 CGBF CCc1c(O)ccc2c1c(=O)oc1c(C)c(O)ccc12 28571032 AMIQXRSRYGHNLV-UHFFFAOYSA-N 270.284 3.228 5 1 CGBF C[C@@H]1C[C@H](C[C@@H](C)[C@H]2CCCC[N+]3([O-])CCC[C@@H]23)OC1=O 141385255 PIGOWTVLTFOGSR-WCRYKSFZSA-N 295.423 3.241 5 1 CGBF O=C1Oc2cc3ccccc3c3c4c(cc1c23)OCO4 95909646 UWIZBJUIIONJTR-UHFFFAOYSA-N 264.236 3.254 5 1 CGBF biogenic,in-vitro O=[N+]([O-])c1cc[n+]([O-])c2ccc(C3CCCCC3)cc12 169315515 FKCTUQBGQAKGBL-UHFFFAOYSA-N 272.304 3.429 5 1 CGBF CN(C)CCn1nc2c3ccccc3oc3cccc1c32 28527885 WOFIPJYHQYQSPB-UHFFFAOYSA-N 279.343 3.497 5 1 CGBF COC(=O)[C@H]1[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)C1(C)C 103193861 DQPAPFOAUVUXTR-QDIXBRCLSA-N 275.304 3.053 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 400367798 RFPMNTNJPSJYRR-LBPRGKRZSA-N 298.327 3.256 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccncc1 587648835 MHOUCZYVIKEYLK-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF c1ccc2nc3cc4[nH]c([C@H]5CCOC5)nc4cc3nc2c1 586910757 AQWDXWQHCOFIEA-JTQLQIEISA-N 290.326 3.163 5 1 CGBF CCCCOC(=O)c1cccc2nc3c(N)cccc3nc12 103223274 YACNIDKJIWWZLH-UHFFFAOYSA-N 295.342 3.322 5 1 CGBF CC[C@]1(C)C=C(C(=S)NC)c2cc([N+](=O)[O-])ccc2O1 26579120 DIVKDPWYANGAOE-CQSZACIVSA-N 292.360 3.086 5 1 CGBF COc1ccc2c(c1)oc(=O)c1cc(C(C)=O)ccc12 13558836 FWTOKBXCPIENSR-UHFFFAOYSA-N 268.268 3.157 5 1 CGBF O=c1c2cc(O)ccc2oc2c1oc1cc(O)ccc12 3990272 KNRPIJRYYAZCNW-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF O=c1c2ccc(O)cc2oc2c1oc1ccccc12 3990275 VWSGLNOBPMOAFE-UHFFFAOYSA-N 252.225 3.398 5 1 CGBF COc1ccc2[nH]c3nc4c(C)noc4cc3c2c1 95580167 ZKGAICOSKOQVBI-UHFFFAOYSA-N 253.261 3.174 5 1 CGBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)o1 587280527 YZFQJFXALLXPJT-UHFFFAOYSA-N 271.228 3.473 5 1 CGBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1F 587268653 IBAYBWJBTFRVPI-UHFFFAOYSA-N 275.239 3.487 5 1 CGBF CC(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645808 DMMHHTNCKYUUBR-UHFFFAOYSA-N 254.192 3.216 5 1 CGBF O=[N+]([O-])c1cc(F)ccc1-c1ccsc1[N+](=O)[O-] 103207044 ZWMDAAHHMILBSW-UHFFFAOYSA-N 268.225 3.371 5 1 CGBF O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCc1ccccc1O2 5593871 PFJKYFUZPDUUBN-UHFFFAOYSA-N 287.231 3.221 5 1 CGBF Cc1cc(O)c2c(=O)c3cccc(Cl)c3[nH]c2c1 27555234 ANYKGEUYKJDSJG-UHFFFAOYSA-N 259.692 3.349 5 1 CGBF O=[N+]([O-])[C@H]1Cc2ccccc2O[C@H]1c1ccccc1 1616364 DABPXYGKUXLBGY-ZFWWWQNUSA-N 255.273 3.008 5 1 CGBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 253979287 KVDHVTQKKLVMJD-BTTYYORXSA-O 299.394 3.095 5 1 CGBF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC[N+](C)(C)C)O2 3787372 CYFUJFPQQKYUKZ-SFHVURJKSA-O 292.443 3.497 5 1 CGBF CCc1nnc2sc3cc4c(C)cccc4c-3nn12 72114544 UKESPSCVIBUWDK-UHFFFAOYSA-N 268.345 3.315 5 1 CGBF CCC[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C 587956677 UJRUTAIYEJUILS-VIFPVBQESA-N 262.313 3.406 5 1 CGBF Cc1c(C)c2c(c(C)c1O)[C@@H](C[N+](C)(C)C)C(C)(C)O2 17058 PRWWNIHPPMMWDQ-CYBMUJFWSA-O 278.416 3.278 5 1 CGBF CCCC1=Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3 40496874 YXRBXFNJPHGRNC-MRXNPFEDSA-N 260.357 3.360 5 1 CGBF COc1cccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587931967 SBMUFNSQFUVNCC-UHFFFAOYSA-N 297.314 3.265 5 1 CGBF Cc1cc(C)n(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647099 FBKZGNABLJKHJL-UHFFFAOYSA-N 270.292 3.187 5 1 CGBF COc1ccc(-c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1 169348230 QETGFOISDSHSBM-UHFFFAOYSA-N 297.270 3.320 5 1 CGBF COc1ccc2c(c1)[nH]c(=N)c1c3ccccc3cn21 299844643 NBCGKELOMTZZPQ-UHFFFAOYSA-N 263.300 3.062 5 1 CGBF CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1 13765294 AGUNHRMMKYCFLG-UHFFFAOYSA-N 268.402 3.184 5 1 CGBF Nc1n[nH]c2nnc3c4ccccc4c4ccccc4c3c12 14945869 PPFAZEDXVWZGDF-UHFFFAOYSA-N 285.310 3.395 5 1 CGBF Cn1c(=O)c2ccccc2c2ccc3ncccc3c21 53243760 ATQMVCQJJQYFDD-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF CCn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)n1 587279551 LASMOIGVNDFERL-UHFFFAOYSA-N 299.286 3.097 5 1 CGBF Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587251866 PYIAIVWXPCXULR-UTCJRWHESA-N 298.277 3.363 5 1 CGBF CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cccn1 587647659 LKSWMSZJORJDBS-UHFFFAOYSA-N 270.292 3.385 5 1 CGBF COc1cc(O)c2c(=O)c3c(oc2c1)oc1cc(O)ccc13 3816095 KVZNFUGKQAFTBW-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF biogenic Cc1ccc([N+](=O)[O-])cc1Nc1nc(-c2ccncc2)c[nH]1 40950595 VTRIGXMKDODZAF-UHFFFAOYSA-N 295.302 3.432 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccnc1 587648629 JHGCABJXECPXIM-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=[N+]([O-])c1cccc(-c2cncc([C@@H]3C[C@@H]4CC[C@@H]3N4)c2)c1 100580185 TUHXLFZVXVMYDP-XIRDDKMYSA-N 295.342 3.265 5 1 CGBF O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2n2ccnc2)cc1 66075077 XXXKDNIDPAWNBT-GJZGRUSLSA-N 287.319 3.354 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587163175 NXLMVFLTWGAZME-NEPJUHHUSA-N 298.277 3.276 5 1 CGBF COc1cc2ccc3c(OC)c(O)ccc3c2c2c1OCO2 14650684 OEOFVVAOFKKBCH-UHFFFAOYSA-N 298.294 3.445 5 1 CGBF O=C1O[C@@H](C=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 2356857222 TVJIWJQSYXWXMR-HNNXBMFYSA-N 295.294 3.390 5 1 CGBF CC[C@@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160599 WUNQMUYASIVXHF-SNVBAGLBSA-N 272.308 3.262 5 1 CGBF C[N+]12CCc3ccccc3[C@H]1Cc1ccccc1C2 85598674 YXEKXCPIKGSIDD-MRTLOADZSA-N 250.365 3.487 5 1 CGBF in-vitro Cc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1C 587274148 NAPZKLCKIIUXDN-LLVKDONJSA-N 299.334 3.088 5 1 CGBF Cc1ccc(/N=c2/ssnc2Cl)cc1[N+](=O)[O-] 100475585 SJZFBHPBFDWARA-PKNBQFBNSA-N 287.753 3.307 5 1 CGBF Cc1cc2[nH]c([C@H]3CCCC(=O)CC3)nc2cc1[N+](=O)[O-] 586883986 FWZXCSHIOMQAKI-JTQLQIEISA-N 287.319 3.396 5 1 CGBF O=Cc1cc(-c2cncc3ccccc23)cc([N+](=O)[O-])c1O 169699617 AKRDISAFPVXTIL-UHFFFAOYSA-N 294.266 3.328 5 1 CGBF O=c1cccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c1-2 169730031 UOWWSWPJBNUBGK-UHFFFAOYSA-N 283.239 3.025 5 1 CGBF O=C(O)c1ccc2ccc3ccccc3c(=O)c2c1 39247103 CXKIXQWBKCIMGZ-UHFFFAOYSA-N 250.253 3.051 5 1 CGBF CN1CCN(c2nccc3c2ccc2ccccc23)CC1 13797060 XFIBZHYFLKWOJP-UHFFFAOYSA-N 277.371 3.140 5 1 CGBF Cc1cc(C)cc(Nc2ccc3nonc3c2[N+](=O)[O-])c1 6996224 AVJWVBIWEKJYOP-UHFFFAOYSA-N 284.275 3.491 5 3 CGBF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1ccncc12 66111751 BAIPFBQSXWRFAI-UHFFFAOYSA-N 279.299 3.056 5 1 CGBF COc1cc2ccc3c4c(ccc3c2c(OC)c1O)OCO4 222146921 RDOYGGIEUXRWEI-UHFFFAOYSA-N 298.294 3.445 5 1 CGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587163182 NXLMVFLTWGAZME-VXGBXAGGSA-N 298.277 3.276 5 1 CGBF COc1c2c3c(cc4c(c3c3ccccc13)OCO4)C(=O)N2 14779282 OKDBOHPGAMBUIB-UHFFFAOYSA-N 293.278 3.296 5 1 CGBF COc1ccc(C(=O)O)c(Nc2ccc([N+](=O)[O-])cc2)c1 84652020 NBJNKNNLOVUQTO-UHFFFAOYSA-N 288.259 3.045 5 1 CGBF C[N+](C)(C)C/C=C/COC(=O)Nc1ccc(Cl)cc1 90188508 GKSNCHMDNGXEJL-SNAWJCMRSA-O 283.779 3.151 5 1 CGBF Cn1c(=O)c2ccccc2c2cc3ncccc3cc21 53243762 ZLWQPHFHCBATFC-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF CCc1c(O)ccc2c1c(=O)oc1c(F)c(O)ccc12 28571295 OMOWXSXKIRGRMX-UHFFFAOYSA-N 274.247 3.059 5 1 CGBF O=C1O[C@@H](CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 196670151 XPIBOLXUVOOUDX-HNNXBMFYSA-N 297.266 3.079 5 1 CGBF C[C@H](c1cc(O)c2c(c1)oc(=O)c1ccccc12)N(C)C 220080131 GSBAKOQUEJHZRK-SNVBAGLBSA-N 283.327 3.274 5 1 CGBF Cc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1C 587268518 BIINHYOSLQPLCP-UHFFFAOYSA-N 297.318 3.095 5 1 CGBF Cc1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587649052 OPQAHSGKYXCSJE-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=C(C[C@@H]1CCCO1)c1coc2cc([N+](=O)[O-])ccc12 587279742 QEMATYXFPARTQZ-JTQLQIEISA-N 275.260 3.093 5 1 CGBF Cc1c(-c2cnn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 587647994 XLSTXBCZWJRMLS-UHFFFAOYSA-N 270.292 3.093 5 1 CGBF O=c1c2ccccc2oc2ccc(Cn3ccnc3)cc12 49036415 FWPREHSGJHCERR-UHFFFAOYSA-N 276.295 3.191 5 1 CGBF in-vivo Nc1nc(N)c2c(ccc3c4ccccc4ccc32)n1 14968188 JEWVEYROVOHHJV-UHFFFAOYSA-N 260.300 3.101 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)[C@H]1NCC[C@H]1[C@@H](c1ccccc1)N2 653854439 KWPBMAJAQYJFDD-XKQJLSEDSA-N 295.342 3.412 5 1 CGBF CC[C@@H]1OCCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586913974 SUOCZENPDKCHOW-MFKMUULPSA-N 275.308 3.144 5 1 CGBF COc1cccc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)n1 587648309 CAWPQXKKDKKLKI-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF CC(C)[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587258963 NWXBWKOGTNULIP-INIZCTEOSA-N 291.358 3.315 5 1 CGBF CCCC[C@]1(C)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857578725 JGMHXSJWJPOXEC-GFCCVEGCSA-N 266.277 3.121 5 1 CGBF C[C@H](C(=O)O)c1cc(O)c2c(=O)c3ccccc3ccc2c1 26400571 CYTFFERWWABCGA-JTQLQIEISA-N 294.306 3.247 5 1 CGBF Cc1c(-c2nc3cccc(O)c3[nH]2)cccc1[N+](=O)[O-] 587260779 FAQLBSFRQRVHJN-UHFFFAOYSA-N 269.260 3.152 5 1 CGBF CCCCOC(=O)c1cccc2nc3ccc(N)cc3nc12 103223426 IARKIJXFYBODPY-UHFFFAOYSA-N 295.342 3.322 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)-c1cccc3c1[C@H](C2)NCC3 1911581148 IUMIZHJEYCKBJH-HNNXBMFYSA-N 266.300 3.005 5 1 CGBF O=[N+]([O-])c1cn(-c2ccc(Cl)cc2Cl)cn1 95577180 NNKRXZCKTORUFZ-UHFFFAOYSA-N 258.064 3.087 5 1 CGBF O=c1oc2ccc([N+](=O)[O-])cc2cc1Cc1ccccc1 40914995 FZFKCPVYRKGVBL-UHFFFAOYSA-N 281.267 3.292 5 1 CGBF Cc1oc(-c2nc3c(Cl)cncc3[nH]2)cc1[N+](=O)[O-] 587269178 RSYDVZFDSOZZER-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF C[C@@H]1CCCC[N@@+]1(C)CCCOC(=O)c1ccccc1 299810698 WSVYVKXJAAODMB-QAPCUYQASA-N 276.400 3.253 5 1 CGBF CO[C@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451331 TVFJHRBUWCSCPK-SECBINFHSA-N 282.299 3.189 5 1 CGBF O=c1c2ccc(O)cc2oc2c1oc1cc(O)ccc12 3990270 HFAKBSNBSQYIGZ-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF Cc1oc(-c2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] 587268646 HTHIHWNCVFJNJZ-UHFFFAOYSA-N 261.212 3.179 5 1 CGBF CCc1cc(O)cc2c(=O)oc3c(C)c(O)ccc3c12 28571231 MCYAWLNSWNLXPT-UHFFFAOYSA-N 270.284 3.228 5 1 CGBF CC[N+]1(CC)CCN(c2ccc(Cl)cc2)CC1 653788955 JJJPLNRLPBKKAE-UHFFFAOYSA-N 253.797 3.017 5 1 CGBF O=C(O)CSc1ccc2nc3ccccc3c(O)c2c1 5723948 WFJQKCGOMANRBI-UHFFFAOYSA-N 285.324 3.270 5 1 CGBF Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc(Cl)c1 40973037 FPANSVXJIMZHOG-AATRIKPKSA-N 263.684 3.152 5 1 CGBF COCCNc1cc(=O)c2ccc3ccccc3c2o1 136269788 ADGOGQIIVGXZRC-UHFFFAOYSA-N 269.300 3.005 5 1 CGBF O=[N+]([O-])c1ccc(N[C@@H]2OCCc3ccccc32)cc1 1857647446 CAOPAWBDSSWYOF-OAHLLOKOSA-N 270.288 3.278 5 1 CGBF C[N+](C)([O-])CCc1c[nH]c2ccc(Br)cc12 71341066 OVGNDEXKNOQFCA-UHFFFAOYSA-N 283.169 3.047 5 1 CGBF CC1=CC(C)=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)[CH]1 2356833267 ZCUBDSZMYIMNQS-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF O=[N+]([O-])c1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1 95581325 IISSBZMWJYMUSP-HNNXBMFYSA-N 282.299 3.331 5 1 CGBF COc1cccc(C)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587787499 VILXOWHRDLKKQN-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF O=[N+]([O-])c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587023948 XOHBJCIJOFLGOE-UHFFFAOYSA-N 280.696 3.248 5 1 CGBF CC(=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587648324 CLWFVOMRPCIYRO-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF O=[N+]([O-])c1cnccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874450 BEFXQOCJPWWADK-UHFFFAOYSA-N 298.233 3.087 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccn1 587648306 BUPRRHDSEOKCMZ-UHFFFAOYSA-N 281.271 3.011 5 1 CGBF CN(C)CCCNc1cnc2cc3ccccc3cc2n1 1654597 PCDXCVSMIDKYJJ-UHFFFAOYSA-N 280.375 3.147 5 1 CGBF C[C]1C=CC(C)=CN1CC(=O)c1cccc([N+](=O)[O-])c1 2356812513 VQZPBMTZDBPFEO-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF O=[N+]([O-])c1ccc2nc(CCc3ccccc3F)[nH]c2c1 587151491 YZXWCWCUJWUTMA-UHFFFAOYSA-N 285.278 3.395 5 1 CGBF C[N+](C)(CCCCCCCC(=O)O)Cc1ccc[cH-]1 100441137 WQWDJYUVKUEWQZ-UHFFFAOYSA-N 265.397 3.407 5 1 CGBF CC[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586892762 WEKUXODTMLQQJX-FUXBKTLASA-N 290.279 3.283 5 1 CGBF Cc1ccc2oc(=O)c3cc([N+](=O)[O-])ccc3c2c1 28348918 NLTCOXHFQHPJDG-UHFFFAOYSA-N 255.229 3.163 5 1 CGBF Nc1ccccc1Sc1sccc1[N+](=O)[O-] 299821664 LHMKTCXJAJEZIS-UHFFFAOYSA-N 252.320 3.390 5 1 CGBF O=[N+]([O-])c1ccccc1-c1ccsc1[N+](=O)[O-] 103207042 JGJZGUQFXDBOMK-UHFFFAOYSA-N 250.235 3.232 5 1 CGBF O=c1c2ccccc2oc2c(Cn3ccnc3)cccc12 49036815 SWNOXHJBMDOXFE-UHFFFAOYSA-N 276.295 3.191 5 1 CGBF in-vivo O=C(CC1CCOCC1)c1coc2cc([N+](=O)[O-])ccc12 587279684 OCRFAOOYCODDGR-UHFFFAOYSA-N 289.287 3.340 5 1 CGBF COc1c2c(cc3ccc4cc(O)ccc4c13)OCO2 14650876 NRGMJPPJGVPKQA-UHFFFAOYSA-N 268.268 3.436 5 1 CGBF CCCCn1c(=N)n(CCCC)c2cc([N+](=O)[O-])ccc21 103133707 GQGXALZPGKHAJM-UHFFFAOYSA-N 290.367 3.431 5 1 CGBF COc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587648768 KYIFENXYPRCMMZ-UHFFFAOYSA-N 269.260 3.147 5 1 CGBF O=[N+]([O-])c1ccc(-c2cncc([C@H]3C[C@@H]4CC[C@@H]3N4)c2)cc1 100580112 CRROBCHEYASOQD-UAGQMJEPSA-N 295.342 3.265 5 1 CGBF O=Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279592 MYVXLBIBDCGCLS-UHFFFAOYSA-N 295.250 3.385 5 1 CGBF Cc1cc(=O)oc2c(C)c3oc4cnncc4c3cc12 58538179 XFGXBPZPWIQYAT-UHFFFAOYSA-N 266.256 3.099 5 1 CGBF COC(=O)c1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 13555529 GFMDRMJHODBOSU-UHFFFAOYSA-O 291.330 3.085 5 1 CGBF O=C(O)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 84742173 BRIZYCGAWYBLCJ-UHFFFAOYSA-N 293.666 3.085 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042620 UNDVWUGGXNEDBO-GFCCVEGCSA-N 298.327 3.256 5 1 CGBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccccc3)O2)s1 49793020 NSQSQIGNWVPCSN-GFCCVEGCSA-N 276.273 3.064 5 1 CGBF CSCC(C)(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586968679 HMQFTIDOSQMHRH-UHFFFAOYSA-N 265.338 3.112 5 1 CGBF CC(C)n1c(-c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O 1772641904 HELSFBTVWQLANN-UHFFFAOYSA-N 299.286 3.146 5 1 CGBF O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O 29213970 WAJWMUUICQFSBI-UHFFFAOYSA-N 277.663 3.185 5 1 CGBF Cn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 34051277 BQCWOHQTZPBHFI-UHFFFAOYSA-N 283.287 3.061 5 1 CGBF Cn1c(=O)c2ccccc2c2c3ccccc3ncc21 53294495 GZABYWMWTFKNTR-UHFFFAOYSA-N 260.296 3.240 5 1 CGBF CNCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C 205328479 PMUALUNJLKJWFQ-UHFFFAOYSA-N 295.342 3.473 5 1 CGBF O=[N+]([O-])c1cccc(Nc2ncc3c(n2)CCCC3)c1 1857569854 IDELUCHFZTYRPZ-UHFFFAOYSA-N 270.292 3.007 5 1 CGBF O=c1[nH]c(-c2ccccc2)nc2nc3ccccc3cc12 28640392 MZKLSOUYNBYHCO-UHFFFAOYSA-N 273.295 3.138 5 1 CGBF Cc1c(-c2nc3cc(Cl)ncc3[nH]2)cccc1[N+](=O)[O-] 587260900 LHEBBBMIHQKLDW-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF CCc1cc2nccc3c4cc(OC)ccc4n(c1=O)c23 1857651435 GSJHQLMPEVJVBN-UHFFFAOYSA-N 278.311 3.010 5 1 CGBF O=c1cc(-c2ccccc2)oc2ccc([N+](=O)[O-])cc12 28765412 ZDFHPVOEUNRYMP-UHFFFAOYSA-N 267.240 3.368 5 1 CGBF in-vivo Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cc([N+](=O)[O-])cn1 587631028 FVQYUJOGAGRQEZ-UHFFFAOYSA-N 294.673 3.363 5 1 CGBF Cc1nc2ccc3ccc(Br)cc3c2c(=O)[nH]1 13832474 WCQXCXDTQWDBHZ-UHFFFAOYSA-N 289.132 3.147 5 1 CGBF NCCNCc1c2ccccc2cc2ccccc12 137786004 LKRLVXKWQTZLNF-UHFFFAOYSA-N 250.345 3.041 5 1 CGBF Cc1nc2c(cc(O)c3c(=O)c4ccccc4oc32)o1 1857638073 FJAWJRMNNMGBSB-UHFFFAOYSA-N 267.240 3.101 5 1 CGBF CCCCNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1 72108599 PVQNQCIYVQMYTD-UHFFFAOYSA-N 260.297 3.197 5 1 CGBF C[C@H](c1cc(O)cc2oc(=O)c3ccccc3c12)N(C)C 220080025 FDGWOMOFXBMREQ-SNVBAGLBSA-N 283.327 3.274 5 1 CGBF Cc1c(O)ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc12 96177632 MMBKDNMPRCZQFQ-UHFFFAOYSA-N 297.266 3.382 5 1 CGBF Cc1ccc(C)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587274562 QAMBSARZWINVQJ-LLVKDONJSA-N 299.334 3.088 5 1 CGBF Cn1c2ccccc2n2c3ccccc3c3nnc(N)c-3c12 1653910 QJYVLRJOCKEJCC-UHFFFAOYSA-N 287.326 3.061 5 1 CGBF O=[N+]([O-])c1cccc(-c2cc(NC3CCCC3)ncn2)c1 82160237 ONJIVEVVLLRPBA-UHFFFAOYSA-N 284.319 3.406 5 1 CGBF O=C(O)c1cccc2c(C[N+](=O)[O-])c(-c3ccccc3)[nH]c12 587637646 FKUXBGXBADMZRK-UHFFFAOYSA-N 296.282 3.310 5 1 CGBF COc1cccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587930607 IQCOCZYQMXUWHJ-UHFFFAOYSA-N 297.314 3.379 5 1 CGBF Cc1c(-c2nc3cc(Cl)cnc3[nH]2)cccc1[N+](=O)[O-] 587261204 YKFUSSPDPJZEEL-UHFFFAOYSA-N 288.694 3.495 5 1 CGBF O=C(O)C(=O)CC(=O)c1c2ccccc2cc2ccccc12 28645820 CEDKKOHSRGHOOR-UHFFFAOYSA-N 292.290 3.220 5 1 CGBF O=c1[nH]c2ccc(O)cc2c2oc3ccccc3c12 26727582 MIMWDXSZUXJKLW-UHFFFAOYSA-N 251.241 3.133 5 1 CGBF C[n+]1c2ccccc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21 26963781 HXRGYKPTKACJDO-UHFFFAOYSA-O 278.291 3.207 5 1 CGBF OP(O)(O)=c1c2ccccc2sc2ccccc12 169721651 WWRLWQWUHHJOTQ-UHFFFAOYSA-N 278.269 3.326 5 1 CGBF Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587648005 XUUTUGNHJQWJGD-UHFFFAOYSA-N 253.261 3.325 5 1 CGBF Nc1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1 103231124 OADRETFMGNDTQX-UHFFFAOYSA-N 266.325 3.478 5 1 CGBF CCN(CC)c1cc(C)c2cc([N+](=O)[O-])ccc2n1 20104350 QZIQYVNPWVKVIW-UHFFFAOYSA-N 259.309 3.298 5 1 CGBF O=[N+]([O-])c1ccc([C@@H](c2ccccc2)n2ccnc2)cc1 28239106 LEMIWZFXIZYJKQ-MRXNPFEDSA-N 279.299 3.429 5 1 CGBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1=CCN(C)CC1 45193566 PEYXKGITJQNPHD-UHFFFAOYSA-N 271.320 3.103 5 1 CGBF Cc1ccc(C)c(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587958497 FYDFSLGAYPYCBI-UHFFFAOYSA-N 282.303 3.074 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)Nc1cccc([N+](=O)[O-])c1N2 27886553 DBVHBCUXXHWTLE-UHFFFAOYSA-N 272.220 3.304 5 1 CGBF N[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CC1 587256075 XXYCHBUKGXTCCN-GFCCVEGCSA-N 289.342 3.069 5 1 CGBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccccc3)O2)s1 49793021 NSQSQIGNWVPCSN-LBPRGKRZSA-N 276.273 3.064 5 1 CGBF O=[N+]([O-])c1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1 95592496 RRGCJEHCXSKPFY-RHSMWYFYSA-N 298.342 3.324 5 1 CGBF CC[N+](CC)(CC)COC(=O)C1(c2ccccc2)CC1 27527039 JXCNJUVCEYQZES-UHFFFAOYSA-N 276.400 3.095 5 1 CGBF CCc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587275002 ZEEPVJGRGFAUDB-JTQLQIEISA-N 299.334 3.034 5 1 CGBF COc1cc2c3c(ccc4cc(O)c(OC)c(c43)[C@@H](O)O2)c1 2356444797 IXYXOSNVZJQGIR-KRWDZBQOSA-N 298.294 3.099 5 1 CGBF COc1cc(C)ccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587926345 XODYVANOQDLWID-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF O=Cc1ccccc1C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2356842495 KOGAWECZSJQKJW-UHFFFAOYSA-N 298.254 3.486 5 1 CGBF Cc1cnc2c(c1)c(C)c(C)c1cc(C)c[n+](C)c12 5160224 FQTUZNACZKILMC-UHFFFAOYSA-N 251.353 3.446 5 1 CGBF in-vivo COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)O1 13372686 ASQTZPBJZUYIJT-UHFFFAOYSA-N 294.262 3.263 5 1 CGBF CC[C@@H]1OCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586908726 CYDNCNUDNMXTHL-YGRLFVJLSA-N 289.335 3.452 5 1 CGBF Cc1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 98083402 RTCRSKGJDCDZPN-UHFFFAOYSA-N 294.314 3.459 5 1 CGBF Cc1oc(-c2nc3cnc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587269579 UUSSFDVZMRENQZ-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF Cc1oc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1[N+](=O)[O-] 587268902 MYASMKIPFQJHEX-UHFFFAOYSA-N 296.645 3.227 5 1 CGBF COc1ccc2c(c1)CC[N+]1(C)CCc3ccccc3[C@@H]21 34641926 ICPCBSSZIHJQET-XJDOXCRVSA-N 280.391 3.343 5 1 CGBF O=C(O)c1cccc2c(O)c(-c3cccc([N+](=O)[O-])c3)[nH]c12 587637312 AYWKBKOGTPLBDF-UHFFFAOYSA-N 298.254 3.147 5 1 CGBF CCNc1nc2cc(Cl)c([N+](=O)[O-])cc2nc1NCC 115765026 RDBXEXPGOKNZLK-UHFFFAOYSA-N 295.730 3.055 5 1 CGBF Cc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12 82152922 IWXKMJWVNVLANS-UHFFFAOYSA-N 265.268 3.442 5 1 CGBF CC[N+]1(CC)CCN(c2cccc(C(F)(F)F)c2)CC1 653787442 OEDZKBDZSIZMTI-UHFFFAOYSA-N 287.349 3.382 5 1 CGBF COC(=O)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21 64573971 RDPUEIZFSORAPJ-UHFFFAOYSA-N 292.294 3.402 5 1 CGBF COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2cc1O 33832469 DZTCHOVSMSHCHK-UHFFFAOYSA-N 298.250 3.112 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042621 UNDVWUGGXNEDBO-LBPRGKRZSA-N 298.327 3.256 5 1 CGBF CCCCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21 169326763 VYLAMIJHTZWDDQ-UHFFFAOYSA-N 294.354 3.054 5 1 CGBF COc1ccc(-c2ccccc2[N+](=O)[O-])c(OC)c1OC 28772316 CZHCRSXHXZZCPK-UHFFFAOYSA-N 289.287 3.288 5 1 CGBF C[C@@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818398 IGWAJKGBDGKWEC-RXMQYKEDSA-N 274.198 3.148 5 1 CGBF O=c1oc2ccc(Cl)cc2c2nc3c(cc12)CCC3 103272121 UHFPCOUDZKHNFN-UHFFFAOYSA-N 271.703 3.483 5 1 CGBF Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587647455 JCOWXFZXXFAFAG-UHFFFAOYSA-N 270.292 3.093 5 1 CGBF COC1(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CCC1 587279573 LXTQAEUGLRORJV-UHFFFAOYSA-N 275.260 3.093 5 1 CGBF CC1(C)CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(F)c21 103192472 FHLZFDUALJABKM-UHFFFAOYSA-N 268.244 3.256 5 1 CGBF O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2sccc2N1 13532154 JGUFJEKPASVZIJ-UHFFFAOYSA-N 299.311 3.299 5 1 CGBF O=[N+]([O-])c1ccc(OCC2CCN(CC3CC3)CC2)cc1 13940 XNJAGXCZRUPRKN-UHFFFAOYSA-N 290.363 3.096 5 1 CGBF Cc1ccc(-n2cc([N+](=O)[O-])nc2C)c(Br)c1 95573039 QITLNPCNBPNBKA-UHFFFAOYSA-N 296.124 3.160 5 1 CGBF COc1ccc2c(c1)cn1c3ccc(OC)cc3[nH]c(=N)c21 299860350 JEANXMBAGPJAID-UHFFFAOYSA-N 293.326 3.070 5 1 CGBF CCCC/N=c1\c([N+](=O)[O-])c(O)sc2ccccc12 103992188 OIFQJNBWJOLRJF-KAMYIIQDSA-N 278.333 3.216 5 1 CGBF N=C(N)SCc1cccc2c(=O)c3ccccc3oc12 26728414 HCJKXEDURYLPQE-UHFFFAOYSA-N 284.340 3.073 5 1 CGBF CN1CCc2ccc3oc(=O)c4cccc5c4c3c2[C@H]1C5 27194163 UCVKKWQVIIHPLH-CYBMUJFWSA-N 277.323 3.031 5 1 CGBF CCOC(=O)Nc1ccc2nc3ccccc3nc2c1 96932242 RWOJKGMCFMSTQQ-UHFFFAOYSA-N 267.288 3.351 5 1 CGBF C[C@@H](C[C@H]1C[C@@H](C)C(=O)O1)[C@@H]1CCCC[N@@+]2([O-])CCC[C@H]12 2356321460 PIGOWTVLTFOGSR-LSFSDZQMSA-N 295.423 3.241 5 1 CGBF COc1ccc2c(c1)[nH]c1c3ccncc3cc(CN)c21 211882282 JIPWXCWXQYQCQS-UHFFFAOYSA-N 277.327 3.337 5 1 CGBF CCc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587275003 ZEEPVJGRGFAUDB-SNVBAGLBSA-N 299.334 3.034 5 1 CGBF Cc1cccc2c(=O)c3cccc([C@@H](C)C(=O)O)c3oc12 5538910 DNOVMIZRTRQVOD-SNVBAGLBSA-N 282.295 3.443 5 1 CGBF CN(C)C1=N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccccc2C1 26576032 FOJSNOUIGCFVLV-KRWDZBQOSA-N 295.342 3.200 5 1 CGBF CCCCCc1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 1772652756 OHCWJLHWVKQMKI-UHFFFAOYSA-N 260.293 3.169 5 1 CGBF O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1c(F)cccc12 299835983 XKUZHDHUOAPVLO-UHFFFAOYSA-N 282.234 3.312 5 1 CGBF CC[C@@H](C)n1cnc2c(c(C)nc3ccccc32)c1=O 82154106 CZUQSTULSUWFLR-SNVBAGLBSA-N 267.332 3.224 5 1 CGBF CC(=O)c1c(-c2ccncc2)[nH]c2cccc([N+](=O)[O-])c12 587648571 IPMGYNWXIJQUJC-UHFFFAOYSA-N 281.271 3.341 5 1 CGBF CN1CCc2ccc3cnc4cccc5c4c3c2[C@H]1C5 27193018 XKOOJEWWQSZWFX-OAHLLOKOSA-N 260.340 3.473 5 1 CGBF CC(C)OCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279550 KZRJCIJSSICUMY-UHFFFAOYSA-N 277.276 3.339 5 1 CGBF CSc1cc2nccc3c4ccccc4n(c1=O)c23 14593552 BKKCKIMPRRTNMC-UHFFFAOYSA-N 266.325 3.161 5 1 CGBF CC/C(C)=C(\N)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587647779 PLIOYGSAIHLGKI-ZSOIEALJSA-N 259.309 3.484 5 1 CGBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3ccccc3)nc12 1857559232 HWDHIZLRXKCMEB-VOTSOKGWSA-N 299.311 3.476 5 1 CGBF S=c1[nH]c2cc3nc4ccccc4nc3cc2[nH]1 299859983 ISGBXKHQHOFJCI-UHFFFAOYSA-N 252.302 3.322 5 1 CGBF Cc1c([C@@H](C)CN(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587647365 WZGXNBPPRJUTSX-VIFPVBQESA-N 261.325 3.050 5 1 CGBF O=[N+]([O-])c1ccc2c(c1)-c1cccc3c1[C@@H](C2)NCC3 1911581150 IUMIZHJEYCKBJH-OAHLLOKOSA-N 266.300 3.005 5 1 CGBF O=c1cc(N2CCCOCC2)oc2c1ccc1ccccc12 13608071 NVGTWFCMXLHRJF-UHFFFAOYSA-N 295.338 3.173 5 1 CGBF in-vivo COc1cc2c3c(cc4ccc(O)cc4c3c1OC)NC2=O 14779333 UDPCZNQWXHKYPJ-UHFFFAOYSA-N 295.294 3.282 5 1 CGBF biogenic,in-vitro CCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1 27866515 XCPHSRUTINAFPK-UHFFFAOYSA-N 268.276 3.096 5 1 CGBF Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647024 CVLACFJDMPGQGH-UHFFFAOYSA-N 253.261 3.325 5 1 CGBF O=[N+]([O-])c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587177246 FAZFSKVBGGQSEB-UHFFFAOYSA-N 297.249 3.154 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162640 JYJNOKOKEGMSRV-QWRGUYRKSA-N 298.277 3.276 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CN(C)C(C)C 587646843 LKTCDOXLMHYKCX-UHFFFAOYSA-N 261.325 3.225 5 1 CGBF C[N@+]1([O-])CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 255245083 NHRRLWUDUAIRAB-KUHUBIRLSA-N 295.338 3.180 5 1 CGBF O=[N+]([O-])c1ccc(/C=C/c2cccc(O)c2)c([N+](=O)[O-])c1 4569395 PWTPOQKJJULSPP-SNAWJCMRSA-N 286.243 3.379 5 1 CGBF CN1Cc2ccccc2[C@@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 72106500 VKFHOFPVMOYWOW-DLBZAZTESA-N 298.342 3.205 5 1 CGBF COc1cnc2cc(C(=O)O)c3c([N+](=O)[O-])cccc3c2c1 1611743 UQTQWIJEOXVLEZ-UHFFFAOYSA-N 298.254 3.003 5 1 CGBF O=C(O)C(=Cc1ccccc1)c1ccccc1[N+](=O)[O-] 2356814436 QJDMBTXQRHVJFT-UHFFFAOYSA-N 269.256 3.220 5 1 CGBF c1ccc(N2CC[N+]3(CCc4ccccc43)CC2)cc1 66079390 WCWYUMNPEYQBNI-UHFFFAOYSA-N 265.380 3.070 5 1 CGBF CC1(C)C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21 13860656 RTMXGSLXWFFVFT-UHFFFAOYSA-N 282.299 3.492 5 1 CGBF O=[N+]([O-])c1cccc(Nc2nccc(-c3ccccn3)n2)c1 29564145 DTCFXYVLDFXFEA-UHFFFAOYSA-N 293.286 3.190 5 1 CGBF CN1Cc2ccccc2[C@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 72106096 VKFHOFPVMOYWOW-SJORKVTESA-N 298.342 3.205 5 1 CGBF O=[N+]([O-])c1cn(-c2cc(Cl)cc(Cl)c2)cn1 95577259 JPHDHSTXQULAEJ-UHFFFAOYSA-N 258.064 3.087 5 1 CGBF C[N+]1([C@@H]2CCCC[C@@H]2O)CCC(c2ccccc2)CC1 28230262 WAKPFUAAFAMBSZ-IAFLDTSXSA-N 274.428 3.314 5 1 CGBF CC[C@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160600 WUNQMUYASIVXHF-JTQLQIEISA-N 272.308 3.262 5 1 CGBF CCc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12 28571906 ZZUGHXJIFJRHIO-UHFFFAOYSA-N 270.284 3.228 5 1 CGBF COc1cc(C)ccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587925866 RHPOFXYFKXQWBG-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF O=[N+]([O-])c1cccc(-c2c[n+]3ccccc3s2)c1 169318479 ZBRFINCMYHGFTE-UHFFFAOYSA-N 257.294 3.062 5 1 CGBF C[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1857656908 JDFNSLYOKGZACB-VUCTXSBTSA-N 282.343 3.487 5 1 CGBF C[C@H]1CCCc2c1cc([N+](=O)[O-])c(F)c2[N+](=O)[O-] 103192326 ZJRHYIJTIMFINV-LURJTMIESA-N 254.217 3.082 5 1 CGBF Cc1c(O)cc2oc3oc4cc(O)ccc4c3c(=O)c2c1O 28636762 VFQLMNAQFHUZBA-UHFFFAOYSA-N 298.250 3.118 5 1 CGBF O=[N+]([O-])c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587169600 DJODMJROLMMPOA-UHFFFAOYSA-N 287.250 3.189 5 1 CGBF CCCC[C@@H]1[C@@H](O)CCC[C@@]12CCCC[N+]2(C)C 28007271 UUBPJEKTUBNTEF-PMPSAXMXSA-N 254.438 3.337 5 1 CGBF Cc1ccc(O)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 1772601026 BYBBDYRAOQNBDP-UHFFFAOYSA-N 269.260 3.152 5 1 CGBF COc1c(O)cc2ccc3cc(O)cc4c3c2c1CO4 14651134 SBFGLQBYWJJLEG-UHFFFAOYSA-N 268.268 3.305 5 1 CGBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 100324640 KVDHVTQKKLVMJD-CHWSQXEVSA-O 299.394 3.095 5 1 CGBF O=c1[nH]c2cc(-c3ccccc3)nnc2c2ccccc12 28761093 HVBFSZRTFJZLJV-UHFFFAOYSA-N 273.295 3.138 5 1 CGBF COc1cccc2[nH]c3c(=O)oc4ccc(O)cc4c3c12 82151965 JAODCGWWLWBPAI-UHFFFAOYSA-N 281.267 3.142 5 1 CGBF Cc1c(-c2nc3ccc(O)cc3[nH]2)cccc1[N+](=O)[O-] 587261141 VXXREVRZZSYWMI-UHFFFAOYSA-N 269.260 3.152 5 1 CGBF O=C(O)[C@H](F)c1cccc2c(=O)c3ccccc3oc12 26724448 SNEXPAJGBZEMBR-GFCCVEGCSA-N 272.231 3.041 5 1 CGBF Cc1cc(O)c(Cl)c2oc3cc(O)cc(O)c3c(=O)c12 6484340 UINNLLFVKWHOLE-UHFFFAOYSA-N 292.674 3.025 5 1 CGBF biogenic C[C@@H]1COc2c1c(=O)oc1c2ccc2ccccc21 45365814 IACYJGWBEOIDAT-SECBINFHSA-N 252.269 3.442 5 1 CGBF O=[N+]([O-])c1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1F 587022861 AYNZMRZAXVVITA-UHFFFAOYSA-N 298.686 3.387 5 1 CGBF Cc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1C 587269663 YAZDVWDGGZVOCQ-UHFFFAOYSA-N 297.318 3.095 5 1 CGBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)NCCc2ccc(O)cc21 963340014 DXWNJXPPTXCMCQ-KRWDZBQOSA-N 298.342 3.018 5 1 CGBF COc1cc(C)cc2c1c(=O)c1ccccc1n2C 5552814 SKRQVAXNVNQCKW-UHFFFAOYSA-N 253.301 3.009 5 1 CGBF CC(=O)Nc1ccc2[nH]c3cc4ccccc4[n+](C)c3c2c1 26950300 ZTFINALEZGSIDP-UHFFFAOYSA-O 290.346 3.257 5 1 CGBF O=[N+]([O-])c1ccc(/C=C/c2cc(O)c3cccc(O)c3n2)o1 45373453 FWTHXMADXHVDOY-SNAWJCMRSA-N 298.254 3.318 5 1 CGBF O=c1cc(C(F)(F)F)oc2ccc(Cl)c([N+](=O)[O-])c12 177625 UXGOGXFZNQILKZ-UHFFFAOYSA-N 293.584 3.373 5 1 CGBF COc1ccc2c(c1)CC[N@@+]1(C)CCc3ccccc3[C@H]21 253778458 ICPCBSSZIHJQET-WOJBJXKFSA-N 280.391 3.343 5 1 CGBF Cc1oc(-c2nc3cc(F)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587268871 MPUFGSXKQYNACK-UHFFFAOYSA-N 279.202 3.318 5 1 CGBF CCC1=CN(CC(=O)c2cccc([N+](=O)[O-])c2)[CH]C=C1 2356840868 XXSCFPCVKDIJHD-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF C[N+]1([C@H]2CCCC[C@H]2O)CCC(c2ccccc2)CC1 28230272 WAKPFUAAFAMBSZ-CXUOOODFSA-N 274.428 3.314 5 1 CGBF CO[C@@H](C)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28261163 KVNUHSSYATZGSW-VIFPVBQESA-N 298.294 3.352 5 1 CGBF COc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21 13409862 YQBVKPREVBFWSA-UHFFFAOYSA-N 282.251 3.407 5 1 CGBF endogenous,in-man Nc1c2c(nc3cc([N+](=O)[O-])ccc13)-c1ccccc1C2 13808507 LUNRQBMZGWSWJN-UHFFFAOYSA-N 277.283 3.296 5 1 CGBF O=[N+]([O-])c1cnccc1-c1cc2c3c(cccc3n1)CC2 587211865 XUVPMTFOJYTZPN-UHFFFAOYSA-N 277.283 3.304 5 1 CGBF COc1cc2c3c(cc4ccc(O)cc4c3c1)NC2=O 238757273 KOHJULKXWHILSZ-UHFFFAOYSA-N 265.268 3.273 5 1 CGBF COc1cccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc12 587268559 DMUIAGYIKIGTLB-UHFFFAOYSA-N 273.248 3.048 5 1 CGBF O=c1cc(N2CCSCC2)c2cc3ccccc3cc2o1 13608040 UYBNTAODFKOXIU-UHFFFAOYSA-N 297.379 3.499 5 1 CGBF in-vivo Cc1cc(O)c2c(O)c3c(O)cc(O)cc3cc2c1 156535751 CBOKHFLBNZMMAA-UHFFFAOYSA-N 256.257 3.124 5 1 CGBF COc1ccc(C(=C[N+](=O)[O-])c2ccc(OC)cc2)cc1 1620131 KFFANRUOKOLBPN-UHFFFAOYSA-N 285.299 3.370 5 1 CGBF Cc1cc2c3c(cc(C)[n+]2nc1C)[nH]c1ccccc13 29228684 FFMNIHWZXCAXHL-UHFFFAOYSA-O 262.336 3.380 5 1 CGBF COC(=O)Cc1ccc2c(=O)c3ccccc3ccc2c1 39220554 POCIWZHULJFZRW-UHFFFAOYSA-N 278.307 3.069 5 1 CGBF N[C@@]12C[C@H]3C[C@@](F)(C[C@@H](C1)c1cc([N+](=O)[O-])ccc13)C2 299829596 HSBWJXJNBOSLQB-MMDVMMEASA-N 276.311 3.159 5 1 CGBF C/C=C1/C[N+]23CCc4c([nH]c5ccc(O)cc45)[C@@]2(C)[C@H]1CC3 238776644 MCUJFUBBJCKKJK-OGLSVZGESA-O 295.406 3.441 5 1 CGBF CSCC(C)(C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586968750 IUPILPTWRSULCN-UHFFFAOYSA-N 283.328 3.251 5 1 CGBF C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 13858583 ICKYAYPRNVIBMO-GOSISDBHSA-N 298.406 3.009 5 1 CGBF Cc1c(-c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] 587261137 VVGFSRKUIWVQJQ-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=[N+]([O-])c1ccc2oc(C3=CN4CCC3CC4)cc2c1 13757464 HCVAFIOQGLGPAZ-UHFFFAOYSA-N 270.288 3.408 5 1 CGBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccncc1 587649734 YMSUUVBDLMBVEJ-UHFFFAOYSA-N 253.261 3.447 5 1 CGBF O=C(c1c(C2CC2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587646283 NBNYMMHWOZQNSY-UHFFFAOYSA-N 280.230 3.401 5 1 CGBF OCCc1nc2c3ccccc3c3ccccc3c2[nH]1 586894497 IOXQEBAXQZSJTO-UHFFFAOYSA-N 262.312 3.404 5 1 CGBF Cc1ncsc1CCc1nc2cccc([N+](=O)[O-])c2[nH]1 587027787 JZIYTNVRDKFWIT-UHFFFAOYSA-N 288.332 3.021 5 1 CGBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 587160002 BJUMJBMVWIEFBE-UHFFFAOYSA-N 292.657 3.326 5 1 CGBF O=C(c1c(C2CC2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587645989 HYUVJTUSVYZABG-UHFFFAOYSA-N 280.230 3.401 5 1 CGBF C[N+](C)(C)C[C@H]1C[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336773 SWDNIGTZUQHJGU-NEPJUHHUSA-O 297.806 3.231 5 1 CGBF CCc1cc2nccc3c4ccc(OC)cc4n(c1=O)c23 85998300 KWPHZZGQGNWFCD-UHFFFAOYSA-N 278.311 3.010 5 1 CGBF C[C@@H](COc1ccccc1)[N+]1(Cc2ccccc2)CC1 169332739 YAXHTYSSJPQYRF-INIZCTEOSA-N 268.380 3.485 5 1 CGBF NCCc1cc(O)c2nccc3c4ccccc4[nH]c1c23 36447159 SDRSIBWTLLBWIV-UHFFFAOYSA-N 277.327 3.076 5 1 CGBF Cc1oc(-c2nc3c(Cl)nccc3[nH]2)cc1[N+](=O)[O-] 587269691 YXNFRJGFKZZXJE-UHFFFAOYSA-N 278.655 3.088 5 1 CGBF Cc1cccc2c1oc(=O)c1cc3c(nc12)CCC3 103272120 UUBBLSFSAPVBKH-UHFFFAOYSA-N 251.285 3.138 5 1 CGBF Cn1c(COc2ccccc2)nc2cc([N+](=O)[O-])ccc21 103188141 CSZBYFPRPODMIR-UHFFFAOYSA-N 283.287 3.061 5 1 CGBF C1=C(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCO1 586914147 ZXZYBTSERCFLFN-UHFFFAOYSA-N 288.310 3.421 5 1 CGBF CC(C)c1ccc2oc3ncc(C(=O)O)cc3c(=O)c2c1 27636030 BEWNXZHFZKVPGK-UHFFFAOYSA-N 283.283 3.163 5 1 CGBF O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccccc12 299828885 JKBYIWGVODPSLG-UHFFFAOYSA-N 264.244 3.173 5 1 CGBF Cc1ncn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1C 587648041 YWYLXKILHINNNI-UHFFFAOYSA-N 270.292 3.187 5 1 CGBF CC(C)n1nccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280122 KDVMVYBPWCTYHN-UHFFFAOYSA-N 299.286 3.349 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162643 JYJNOKOKEGMSRV-WDEREUQCSA-N 298.277 3.276 5 1 CGBF Nc1ccc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587251968 PPZIPWUUMYRVBJ-RMKNXTFCSA-N 280.287 3.224 5 1 CGBF Cc1cc2[nH]c(-c3ccc(F)c(N)c3)nc2cc1[N+](=O)[O-] 587139227 CRCGFLUJZBFFPK-UHFFFAOYSA-N 286.266 3.168 5 1 CGBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ncccc1C(=O)O 587649763 ZJMFXQILECMMKQ-UHFFFAOYSA-N 297.270 3.145 5 1 CGBF COC1(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CCCC1 587279025 DPHARLZNLSAUMJ-UHFFFAOYSA-N 289.287 3.483 5 1 CGBF C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 146382732 YJSZGPNVWVYXJS-CGTJXYLNSA-O 272.412 3.225 5 1 CGBF C[N+]12CCc3ccccc3[C@@H]1Cc1ccccc1C2 13550562 YXEKXCPIKGSIDD-OYKVQYDMSA-N 250.365 3.487 5 1 CGBF in-vitro COc1c(O)cc2ccc3cccc(O)c3c2c1OC 14650838 CXPHYDHTAOQSNC-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF C[C]1C=CC(C)=CN1CC(=O)c1ccc([N+](=O)[O-])cc1 2356850789 JYJNRKQPAVAEPZ-UHFFFAOYSA-N 271.296 3.105 5 1 CGBF C[C@@H]1O[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586917979 ZBSLGRNIHCXRKO-VXJOIVPMSA-N 276.299 3.119 5 1 CGBF COc1ccc2[nH]c3c([N+](=O)[O-])cc4cn[nH]c4c3c2c1 96272480 JUYNMCTUZPLCCS-UHFFFAOYSA-N 282.259 3.114 5 1 CGBF Cc1cc(C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322634 FSPSUBUOIDOHNW-UHFFFAOYSA-N 268.268 3.261 5 1 CGBF COC(=O)c1cc([C@@H](C)O)cc2cnc3ccccc3c12 144627960 FCGLJXDNKFSOIQ-SNVBAGLBSA-N 281.311 3.228 5 1 CGBF NC(=O)c1cccc2nc3c(Cl)ccc(Cl)c3nc12 1857636413 SECKOKYCUFCXDR-UHFFFAOYSA-N 292.125 3.189 5 1 CGBF N=c1c2ccccc2sc2nc3ccccc3n12 5594068 KJVAFPISJGKUBC-UHFFFAOYSA-N 251.314 3.182 5 1 CGBF COc1cc(O)cc2cc(O)c3cccc(OC)c3c12 138806070 LXWFKQGQNDDVAL-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF C=C1c2ccccc2C(=O)N(C)c2ccc([N+](=O)[O-])cc21 95557666 CWBGTRWGHOYBSM-UHFFFAOYSA-N 280.283 3.246 5 1 CGBF Cc1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269112 QCUXLOOVFJUCMD-UHFFFAOYSA-N 257.249 3.348 5 1 CGBF O=C1Nc2ccccc2/C1=C/c1ccc([N+](=O)[O-])s1 168626766 AUAHMFNEVSFPBU-YFHOEESVSA-N 272.285 3.149 5 1 CGBF Cc1cccc(Sc2c(C)c[nH]c(=O)c2[N+](=O)[O-])c1 5892728 YSMQDOIOUVYOKJ-UHFFFAOYSA-N 276.317 3.051 5 1 CGBF CCn1nc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C 587280310 RYOQAGKIYDELKP-UHFFFAOYSA-N 299.286 3.097 5 1 CGBF O=c1c2ccccc2oc2cccc(Cn3ccnc3)c12 49033415 FJYGKMHQKKRCON-UHFFFAOYSA-N 276.295 3.191 5 1 CGBF in-vivo Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cccc1[N+](=O)[O-] 587261105 TZBDZDJRUKFPJQ-UHFFFAOYSA-N 297.270 3.145 5 1 CGBF COc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 34125433 JMCCQTQPZMJVCL-UHFFFAOYSA-N 280.280 3.126 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586887142 FEVQNTSFLRFQEI-ZSYFIWHWSA-N 298.346 3.334 5 1 CGBF O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1 43439659 ACCXYWNIHRFTOP-UHFFFAOYSA-N 289.203 3.078 5 1 CGBF CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12 299821610 LASORFRISMGVDN-UHFFFAOYSA-N 253.283 3.022 5 1 CGBF COc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269352 BHRLJZUWYRJSSO-UHFFFAOYSA-N 297.314 3.265 5 1 CGBF O=[N+]([O-])c1cncc2nc(/C=C\c3ccsc3)[nH]c12 587025381 JMLRSLZSWYGRHV-UPHRSURJSA-N 272.289 3.098 5 1 CGBF O=[N+]([O-])c1cccc(Nc2nccc(-c3ccncc3)n2)c1 29551355 WLGHWBDELZLKGW-UHFFFAOYSA-N 293.286 3.190 5 1 CGBF COc1cccc2cc3[nH]c4ccccc4c3[n+](C)c12 13555485 GKVINXMTHBKXGU-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF COc1ccccc1C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O 1857741967 ZEXNDJWNSXZPHB-UHFFFAOYSA-N 299.282 3.229 5 1 CGBF CN1CCO[C@@](O)(c2ccc3c(ccc4ccccc43)c2)C1 473113409 HASWQCLMGPQFQG-LJQANCHMSA-N 293.366 3.100 5 1 CGBF CCCn1c2cccc3cccc(c32)n2cnnc12 1772575423 VVYZPSURGYSPPE-UHFFFAOYSA-N 250.305 3.247 5 1 CGBF COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 28814962 SGOLNYNYDONREV-UHFFFAOYSA-N 284.271 3.335 5 1 CGBF Cc1oc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1[N+](=O)[O-] 587269009 PIKKAGWAUNVXHW-UHFFFAOYSA-N 292.682 3.396 5 1 CGBF Nc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645670 HHOMHXAGXQCXKI-UHFFFAOYSA-N 271.251 3.464 5 1 CGBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 586884396 HRAQMUWKTKLLSA-DCAQKATOSA-N 297.314 3.110 5 1 CGBF CCCCCC(=O)Nc1nc(Cl)c([N+](=O)[O-])s1 49035990 FCRMZFRZKFBLEB-UHFFFAOYSA-N 277.733 3.224 5 1 CGBF O=C1c2ccccc2-c2noc(-c3ccccc3[N+](=O)[O-])c21 98083309 UJSCWIJJKUZAHZ-UHFFFAOYSA-N 292.250 3.461 5 1 CGBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586904929 WSUCLIJRUPXIHS-WFASDCNBSA-N 295.298 3.040 5 1 CGBF O=[N+]([O-])c1cncc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586887141 FEVQNTSFLRFQEI-ZGNZKYAMSA-N 298.346 3.334 5 1 CGBF COc1cccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)n1 587648887 NREZKAZVKXLZDG-UHFFFAOYSA-N 283.287 3.455 5 1 CGBF O=[N+]([O-])c1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2O)c1 587648082 ZZKWPVDFHWCUHQ-UHFFFAOYSA-N 299.242 3.357 5 1 CGBF CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1 95576558 SWPKROQEDPOZND-UHFFFAOYSA-N 297.314 3.110 5 1 CGBF O=[N+]([O-])c1ccc([C@H](O)Cc2ccc3ccccc3n2)cc1 1667277 KDEMWCFSSHWZFE-QGZVFWFLSA-N 294.310 3.419 5 1 CGBF Cc1ccc(C)c2oc3cc(=O)c4ncccc4c-3nc12 36475995 BUALRWOMKCCTHJ-UHFFFAOYSA-N 276.295 3.458 5 1 CGBF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3cnc([N+](=O)[O-])n3)c2c1 587643385 UCHRSVDJRBWRGW-SECBINFHSA-N 299.334 3.479 5 1 CGBF CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1 40861795 DBSMJUKVEFXRJS-UHFFFAOYSA-N 267.284 3.134 5 1 CGBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccccc3[nH]2)c1 587262147 OGEVGUOYORUODP-UHFFFAOYSA-N 297.314 3.401 5 1 CGBF CCC[C@@H]1Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3 40496897 RXMPRZLNXRGTPG-BDJLRTHQSA-N 262.373 3.135 5 1 CGBF COc1ccc2[nH]c(=N)c3c4ccccc4cn3c2c1 299859855 ILBHFQIOEKYDND-UHFFFAOYSA-N 263.300 3.062 5 1 CGBF CCn1nc(C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279692 OMTCNKCOBJPXTL-UHFFFAOYSA-N 299.286 3.097 5 1 CGBF O=c1c2cc(O)ccc2oc2c1oc1ccc(O)cc12 3990274 SDWOHEDVWORTJF-UHFFFAOYSA-N 268.224 3.104 5 1 CGBF CC(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645705 BLPDHFXDXUUAOU-UHFFFAOYSA-N 254.192 3.216 5 1 CGBF Cc1c(-c2cnn(C)c2C)[nH]c2cc([N+](=O)[O-])ccc12 587647984 XABBPXHZMHPXIX-UHFFFAOYSA-N 270.292 3.093 5 1 CGBF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cccc1[N+](=O)[O-] 587260858 JHKOVIZTVYCERQ-UHFFFAOYSA-N 297.270 3.175 5 1 CGBF Nc1ccc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587251969 PPZIPWUUMYRVBJ-TWGQIWQCSA-N 280.287 3.224 5 1 CGBF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@+]2(C)CC1CC1 1857755209 GDVNFXZPWNQYOU-LGWHJFRWSA-O 286.439 3.471 5 1 CGBF C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@H]2CCC[N+](C)([O-])[C@H]2C1 238772244 CJAWLAWAWJGSJC-BPYDJXEZSA-N 294.439 3.281 5 1 CGBF COc1cccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)c1 98084173 SVAWQIPJZVHKCQ-INIZCTEOSA-N 298.298 3.469 5 1 CGBF Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587146510 OKZBNOQAJRSVHJ-PLNGDYQASA-N 298.277 3.484 5 1 CGBF Cc1c(F)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587132375 DCBZDBCRKJUEQD-UHFFFAOYSA-N 290.229 3.120 5 1 CGBF Cc1ncsc1CCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587027761 JLEQSQXDTYYNNH-UHFFFAOYSA-N 288.332 3.021 5 1 CGBF Cc1oc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587269234 UAYVXRQAOMXCQZ-UHFFFAOYSA-N 297.192 3.457 5 1 CGBF O=C(O)c1cccc2c(=O)c3ccccc3ccc12 169336748 YURIRHREQDDPJC-UHFFFAOYSA-N 250.253 3.051 5 1 CGBF Cc1cccc2c3nn4c(C)nnc4sc-3cc12 72118417 FMDHPPYEWXTZML-UHFFFAOYSA-N 254.318 3.061 5 1 CGBF COc1ccc2c(c1)[nH]c(=N)c1c3cc(OC)ccc3cn21 299859486 HZWUSTRUGYWNOU-UHFFFAOYSA-N 293.326 3.070 5 1 CGBF Cc1ccoc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280202 NTTRKNISFUKDFY-UHFFFAOYSA-N 271.228 3.473 5 1 CGBF COCCC/N=c1\cc(O)c2ccc3ccccc3c2o1 13676946 JTACJRUIXYDHOF-FBMGVBCBSA-N 283.327 3.229 5 1 CGBF NCCOCc1nc2c3ccccc3c3ccccc3c2[nH]1 587245991 IZSVOKSHWXVVII-UHFFFAOYSA-N 291.354 3.345 5 1 CGBF O=[N+]([O-])[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1 1616366 DABPXYGKUXLBGY-UKRRQHHQSA-N 255.273 3.008 5 1 CGBF COc1cccc2c1cc1c3c(cc(O)c(OC)c32)C(=O)N1 14779294 MUOAEJRXSNBJIC-UHFFFAOYSA-N 295.294 3.282 5 1 CGBF CCn1ncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C 587279351 GPGXIJLRJDOBAU-UHFFFAOYSA-N 299.286 3.097 5 1 CGBF CC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269149 QYNKGXBYLFCZTQ-UHFFFAOYSA-N 285.259 3.242 5 1 CGBF CCc1cc2c3[nH]c4c(N)cccc4c3cc[n+]2nc1CC 26577669 IFUGWLGUIMQFQQ-UHFFFAOYSA-O 291.378 3.162 5 1 CGBF C[n+]1cc2c3c(ccc2c2ccccc21)OC(C)(C)O3 40845597 JDSWFFLTTABJQU-UHFFFAOYSA-N 266.320 3.325 5 1 CGBF CCN(CC)CCc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587646668 GMTOEYKLQYQNQI-UHFFFAOYSA-N 275.352 3.269 5 1 CGBF CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C 587198974 TWUKEHWHVDJKTE-LBPRGKRZSA-N 296.758 3.383 5 1 CGBF Cc1cc2[nH]c(CCc3cccc(O)c3)nc2cc1[N+](=O)[O-] 586895941 FAQAGQOBQZGOKI-UHFFFAOYSA-N 297.314 3.270 5 1 CGBF COc1ccc2[nH]c3ccc4cc[n+](C)cc4c3c2c1 28761782 BLRIYBVIRNBDDX-UHFFFAOYSA-O 263.320 3.307 5 1 CGBF COc1cc2cc(O)cc(OC)c2c2c(O)cccc12 14650968 QSFQBDRDJRMLBO-UHFFFAOYSA-N 270.284 3.421 5 1 CGBF Nc1cc2[nH]ncc2c2c1[nH]c1ccc(Cl)cc12 96272476 LCFKHBLYFTZQEM-UHFFFAOYSA-N 256.696 3.433 5 1 CGBF COc1cc2c3c(cc4c(O)cccc4c3c1OC)NC2=O 14779291 KUZNZVMKXPBYIB-UHFFFAOYSA-N 295.294 3.282 5 1 CGBF COc1cnc2cc(C(=O)O)c3ccccc3c2c1 1611830 NOEXYMDIPMWNNN-UHFFFAOYSA-N 253.257 3.095 5 1 CGBF NNCCCCNCc1c2ccccc2cc2ccccc12 64527755 ZNEOAPIUBUUZNL-UHFFFAOYSA-N 293.414 3.326 5 1 CGBF Cc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269293 AEOFHZPILJZRAN-ZDUSSCGKSA-N 296.330 3.022 5 1 CGBF O=c1ccc2c(CO)c3c(cc2o1)oc1ccccc13 26742013 LSEQNBQPWNGHQY-UHFFFAOYSA-N 266.252 3.185 5 1 CGBF