smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-] 90668856 QWFFVZTVVZXQEL-UHFFFAOYSA-N 243.218 3.200 5 50 BGBA CC[N+](C)(CC)C12CC3CC(CC(C3)C1)C2 4530180 WLUOSPWKVIDZBU-UHFFFAOYSA-N 222.396 3.442 5 50 BGBA CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 4988698 LXNRSMAZSSVNGS-ZDUSSCGKSA-N 248.326 3.359 5 50 BGBA O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-] 3860993 QAFJHDNFUMKVIE-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA in-vitro CC(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4244802 KUROZHKSHLAXMC-UHFFFAOYSA-N 248.204 3.434 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(-c2cccs2)cc1 374376 YRKAJCGUTWECCT-UHFFFAOYSA-N 205.238 3.323 5 50 BGBA COc1c2ccccc2nc2ccccc12 3944976 ZHBWKWDAMIJZPW-UHFFFAOYSA-N 209.248 3.397 5 50 BGBA biogenic,in-vitro O=[N+]([O-])c1cccc2c1oc1ccccc12 2383240 QRAVOJOOXRDMQF-UHFFFAOYSA-N 213.192 3.494 5 50 BGBA C[C@@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] 15443053 AHRVMBCZNFITCD-SECBINFHSA-N 238.262 3.113 5 50 BGBA Cc1ccc(Sc2ncccc2[N+](=O)[O-])cc1 166658 FNKORSCJIMKGHT-UHFFFAOYSA-N 246.291 3.449 5 50 BGBA Oc1cc2c(O)cccc2c2ccccc12 402496 ACQLQQHWNCHBLM-UHFFFAOYSA-N 210.232 3.404 5 50 BGBA O=[N+]([O-])c1cnc2c(F)c(F)ccc2c1Cl 165875983 LWUVOMCDWHBQDV-UHFFFAOYSA-N 244.584 3.075 5 50 BGBA O=[N+]([O-])c1cccc2cc(F)c(F)cc12 184708 XCLVDBHLRWZPOO-UHFFFAOYSA-N 209.151 3.026 5 50 BGBA Fc1ccc2[nH]c3nc4ccccc4nc3c2c1 5687943 JQJMQJOJKQZONI-UHFFFAOYSA-N 237.237 3.403 5 50 BGBA COc1cc2ccccc2c(=O)c2ccsc12 173536 ZSGIVIUNURDDJL-UHFFFAOYSA-N 242.299 3.423 5 50 BGBA in-vitro O=[N+]([O-])c1ccccc1NC1CCCCC1 4600927 NENZSHGMDIEWOH-UHFFFAOYSA-N 220.272 3.339 5 50 BGBA Cc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 34406374 POAILBXQTJDSFV-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)nc1 3883858 UFWYVSXOMGLUBM-UHFFFAOYSA-N 234.642 3.310 5 50 BGBA O=[N+]([O-])c1ccc2oc(-c3ccccc3)nc2c1 225940 PBRISAFILDFQFS-UHFFFAOYSA-N 240.218 3.403 5 50 BGBA O=[N+]([O-])c1ccc2oc3c(c2c1)CCCC3 4114270 BYZZDUWXRGPYJS-UHFFFAOYSA-N 217.224 3.220 5 50 BGBA O=[N+]([O-])c1ccccc1Cc1ccccc1 2033262 UPKQTNZSDMAYNO-UHFFFAOYSA-N 213.236 3.186 5 50 BGBA CCC(C)(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 685945736 FCISIOORPIFQLL-UHFFFAOYSA-N 238.243 3.191 5 50 BGBA O=[N+]([O-])c1ccccc1CNc1cccc(F)c1 280344 OTFGGJZPKQEIQM-UHFFFAOYSA-N 246.241 3.346 5 50 BGBA CCOc1ccc([N+](=O)[O-])cc1C(F)(F)F 34457812 XWQUJLKVSQCZEG-UHFFFAOYSA-N 235.161 3.012 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2 63322 XFOHWECQTFIEIX-UHFFFAOYSA-N 211.220 3.166 5 50 BGBA in-vitro Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 134714684 HFULOQITZJDLDL-UHFFFAOYSA-N 220.253 3.027 5 50 BGBA CCCCOc1cc(C)cc([N+](=O)[O-])c1 261493756 IQSPTSVNBSLVND-UHFFFAOYSA-N 209.245 3.082 5 50 BGBA O=[N+]([O-])c1ccc(Oc2ccccc2)cc1 1686935 JDTMUJBWSGNMGR-UHFFFAOYSA-N 215.208 3.387 5 50 BGBA c1ccc2c(c1)C[N+]1(C2)Cc2ccccc2C1 2508287 UQQHCDGBSWYBLV-UHFFFAOYSA-N 222.311 3.231 5 50 BGBA O=[N+]([O-])c1ccccc1C[C@H]1CC1(Cl)Cl 281925 AGRSPZDVPVRTTE-QMMMGPOBSA-N 246.093 3.331 5 50 BGBA biogenic O=[N+]([O-])c1cccc(-c2nc3ccccc3o2)c1 2566574 SNRUHHAZKSZEJS-UHFFFAOYSA-N 240.218 3.403 5 50 BGBA O=[N+]([O-])c1ccccc1CNC1CCCCCC1 292652 ZDTUMDFAPMJSSH-UHFFFAOYSA-N 248.326 3.407 5 50 BGBA Cc1cccc(Oc2cc(N)cc([N+](=O)[O-])c2)c1 432424 NSXLIPDZVDBJCG-UHFFFAOYSA-N 244.250 3.278 5 50 BGBA CCCOc1c(F)cc([N+](=O)[O-])cc1Cl 261494116 QGKOIKLIWDUULV-UHFFFAOYSA-N 233.626 3.176 5 50 BGBA CCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 116640481 VOAAIANDUZFELQ-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA Cc1ccnc2c1ccc1c(C)ccnc12 120461 JIVLDFFWTQYGSR-UHFFFAOYSA-N 208.264 3.400 5 50 BGBA in-vivo O=[N+]([O-])c1scc2cnc3cscc3c12 334562 ZCDWIKAPWPUUCV-UHFFFAOYSA-N 236.277 3.419 5 50 BGBA O=[N+]([O-])C(Cc1ccccc1)Cc1ccccc1 1577834 FLDGUVGMEXSOAB-UHFFFAOYSA-N 241.290 3.117 5 50 BGBA CCCC[N@+]1(C)CCCc2ccccc21 1775970196 GLWGCMPPDOUXSS-OAHLLOKOSA-N 204.337 3.370 5 50 BGBA CC(C)(C)Nc1c([N+](=O)[O-])ccc(F)c1F 74937714 QWJMAEKNTLZLCT-UHFFFAOYSA-N 230.214 3.083 5 50 BGBA in-vitro O=[N+]([O-])c1cc2c(ncc3sccc32)s1 334560 LNEBJARFDGKNGJ-UHFFFAOYSA-N 236.277 3.419 5 50 BGBA O=[N+]([O-])[C@H]1CC=CC[C@H]1c1ccccc1Cl 44125892 PUVDDEGPZJEFLM-JQWIXIFHSA-N 237.686 3.419 5 50 BGBA Nc1ccc(Sc2ccccc2[N+](=O)[O-])cc1 2894541 BYVYWEWQOWXWQZ-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA Cc1cc([N+](=O)[O-])c(OC(C)C)cc1Cl 31776610 BXIHEXKVDALKGM-UHFFFAOYSA-N 229.663 3.344 5 50 BGBA in-vitro CCCOc1cc(Cl)ccc1[N+](=O)[O-] 82238552 HDMHSMYVKIWCGS-UHFFFAOYSA-N 215.636 3.037 5 50 BGBA CCCCSc1cccc([N+](=O)[O-])c1 141488474 UBGBVXRLUCDAMF-UHFFFAOYSA-N 211.286 3.487 5 50 BGBA CCCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] 23282051 JLTXPXYGFAVORF-VQHVLOKHSA-N 248.326 3.340 5 50 BGBA CCCOc1c(Cl)cc([N+](=O)[O-])cc1OC 261494095 PSLGKXUVTQWMOI-UHFFFAOYSA-N 245.662 3.046 5 50 BGBA O=[N+]([O-])c1cc2c(cc1F)-c1ccccc1C2 4760464 AXZPZKAKTKXYKZ-UHFFFAOYSA-N 229.210 3.305 5 50 BGBA O=[N+]([O-])c1cc(Cl)cc(Br)c1 8698502 CVXDZAQINLBEIC-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(Cl)c1OC(F)(F)F 199298416 LWLCRRUIYBNYLC-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl 57135 TZGFQIXRVUHDLE-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(SC2CCCC2)nc1 57681836 KIQGQTWURVWLIP-UHFFFAOYSA-N 224.285 3.025 5 50 BGBA CC(C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 141398947 YFDDKSKBCICPSO-UHFFFAOYSA-N 249.188 3.401 5 50 BGBA O=[N+]([O-])c1ccc(C(F)(F)F)c(Cl)c1 2555648 MOTWHSMEZCFDOD-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(C2CC2)c(Br)c1 137689563 MKHKGNDIOGKUGW-UHFFFAOYSA-N 242.072 3.235 5 50 BGBA Cc1cc(Cl)c([N+](=O)[O-])cc1Cl 1698452 PEQYJEJKUTUIFJ-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA CCc1cc([N+](=O)[O-])c(Cl)cc1Cl 2166227 MXQNFFXTXXKFEP-UHFFFAOYSA-N 220.055 3.464 5 50 BGBA in-vitro O=[N+]([O-])c1ccccc1CSc1ccccn1 40559 XBOCOFDYRKGRJP-UHFFFAOYSA-N 246.291 3.282 5 50 BGBA O=[N+]([O-])c1ccc(OCC2CC2)cc1Cl 87543441 WUDPDROVZXTILD-UHFFFAOYSA-N 227.647 3.037 5 50 BGBA O=[N+]([O-])C[C@H](Nc1ccccc1)c1ccccc1 187266 DXNPTDAKAGNRMX-AWEZNQCLSA-N 242.278 3.117 5 50 BGBA O=Cc1ccccc1-c1ccccc1[N+](=O)[O-] 334071 OTPITYJXOMULCO-UHFFFAOYSA-N 227.219 3.074 5 50 BGBA O=[N+]([O-])c1ccc(OC(F)(F)F)c(Cl)c1 34578707 XPGDBZMLVQPKOX-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA in-vitro CC(C)c1cc(Br)cc([N+](=O)[O-])c1 198747288 GPBDXYQQPBYSSN-UHFFFAOYSA-N 244.088 3.481 5 50 BGBA O=[N+]([O-])c1ccc(OC2CCCC2)c(F)c1F 261493898 LPOJFXMLMXKSEQ-UHFFFAOYSA-N 243.209 3.194 5 50 BGBA O=[N+]([O-])c1scc2ncc3cscc3c12 334610 YYQGWOKSCBOKIW-UHFFFAOYSA-N 236.277 3.419 5 50 BGBA Clc1cc2cccnc2c2ncccc12 120457 XDUUQOQFSWSZSM-UHFFFAOYSA-N 214.655 3.436 5 50 BGBA in-vitro CC(C)COc1cc(Cl)ccc1[N+](=O)[O-] 82238540 QHXQHMVLIMSBDI-UHFFFAOYSA-N 229.663 3.283 5 50 BGBA Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 66325751 SGSOOBQNRQUSIL-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(Sc2ccc(O)cc2)cc1 13836765 OZKBCXNJYCRMLD-UHFFFAOYSA-N 247.275 3.452 5 50 BGBA CCOc1ccc(/C=C/[N+](=O)[O-])c2ccccc12 461382 SHTYEDHRCHTDDY-MDZDMXLPSA-N 243.262 3.486 5 50 BGBA O=Nn1c2ccccc2c2cc([N+](=O)[O-])ccc21 4404439 UTBGPZHMURQBBF-UHFFFAOYSA-N 241.206 3.232 5 50 BGBA O=[N+]([O-])/C=C/c1cccn1-c1ccc(Cl)cc1 450353 MMEFKYOLRDQHEB-VQHVLOKHSA-N 248.669 3.378 5 50 BGBA O=[N+]([O-])c1ccc(F)cc1NCc1ccccc1 52119132 AEFSTURDBIFIBJ-UHFFFAOYSA-N 246.241 3.346 5 50 BGBA in-vitro COc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 111676 NBCQLWNLTLMGCB-UHFFFAOYSA-N 245.234 3.396 5 50 BGBA O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1 40456590 KFEYJMWVGVVRBF-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(-c2ccc(F)cc2)c1 85471758 FFZJARKPNHJFMC-UHFFFAOYSA-N 217.199 3.401 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(SCC2CC2)c1 261493775 IYTKUQLZAPBWPO-UHFFFAOYSA-N 209.270 3.097 5 50 BGBA CC(C)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4740946 IEVVNYZLGHKOGD-UHFFFAOYSA-N 249.314 3.015 5 50 BGBA CCC[N+]1(CCC)C[C@@H]2CCCC[C@H]2C1 1857801026 SRXAYNUORQDESS-KBPBESRZSA-N 210.385 3.443 5 50 BGBA O=[N+]([O-])c1ccc(Oc2ccc(O)cc2)cc1 370769 DCCDSAOUQRQDEL-UHFFFAOYSA-N 231.207 3.093 5 50 BGBA O=Cc1ccccc1-c1cccc([N+](=O)[O-])c1 12336285 BKNRGLBMCOYHKL-UHFFFAOYSA-N 227.219 3.074 5 50 BGBA in-vitro CCCC[N@@+]1(C)CCCc2ccccc21 1775970195 GLWGCMPPDOUXSS-HNNXBMFYSA-N 204.337 3.370 5 50 BGBA CCC(C)(C)c1ccc(OC)c([N+](=O)[O-])c1 2169036 BWKBNGJQUDJWBV-UHFFFAOYSA-N 223.272 3.291 5 50 BGBA C[C@@H](C(c1ccccc1)c1ccccc1)[N+](=O)[O-] 5919447 REYXTZHGIGOQLV-LBPRGKRZSA-N 241.290 3.484 5 50 BGBA COc1ccc2ccccc2c1/C=C/[N+](=O)[O-] 474136 WZPDPCQRXRVFIK-CMDGGOBGSA-N 229.235 3.096 5 50 BGBA Oc1c2ccccc2c(O)c2ccccc12 100038502 PCFMUWBCZZUMRX-UHFFFAOYSA-N 210.232 3.404 5 50 BGBA in-vitro CC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6363676 VPXARFYVGYUYMI-UHFFFAOYSA-N 231.207 3.057 5 50 BGBA CCCOc1cc([N+](=O)[O-])cc(Cl)c1F 261493596 FLHDRMLELAFFCG-UHFFFAOYSA-N 233.626 3.176 5 50 BGBA CCCCOc1cc([N+](=O)[O-])ccc1C 2025009 FWRCTOQWWOPOSS-UHFFFAOYSA-N 209.245 3.082 5 50 BGBA CCOc1cc([N+](=O)[O-])c(OCC)cc1Cl 158152 HWLDAZMGMQYWGW-UHFFFAOYSA-N 245.662 3.046 5 50 BGBA COc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1F 85483044 IRFWAZQYGNNULY-UHFFFAOYSA-N 247.225 3.410 5 50 BGBA in-vitro O=[N+]([O-])C=C(c1ccccc1)c1ccccc1 50258 OYDWWBGGMKUUNB-UHFFFAOYSA-N 225.247 3.353 5 50 BGBA O=[N+]([O-])c1ccc(COc2ccccc2)cc1 1558392 BKSDFYLOSRTHTL-UHFFFAOYSA-N 229.235 3.174 5 50 BGBA Oc1nnc2c3ccccc3c3ccccc3c2n1 15772703 XXORNVYOBUOSMZ-UHFFFAOYSA-N 247.257 3.037 5 50 BGBA O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 5006119 KQLUSGVTGAPFDW-UHFFFAOYSA-N 249.247 3.022 5 50 BGBA in-vitro Cc1cnc(NC2CCCCC2)c([N+](=O)[O-])c1 38537017 BXHCZXDTWIBMSH-UHFFFAOYSA-N 235.287 3.043 5 50 BGBA O=[N+]([O-])c1ccc(F)c(Cl)c1Cl 16159085 QWQJCMSWGFVURH-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA in-vitro CCCOc1c(C)cc([N+](=O)[O-])cc1C 39118467 JPPKPZQIFMUULL-UHFFFAOYSA-N 209.245 3.000 5 50 BGBA Cc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 79387502 JHEPYEXKEPQPAZ-UHFFFAOYSA-N 223.125 3.061 5 50 BGBA Cn1c2ccccc2c2nc3ccccc3nc21 83137 KFWQNOOZKPPNNW-UHFFFAOYSA-N 233.274 3.275 5 50 BGBA O=[N+]([O-])c1ccc(-c2nc3ccccc3o2)cc1 289566 KLOXEYMSPNBMHD-UHFFFAOYSA-N 240.218 3.403 5 50 BGBA investigational Cc1nc2c([N+](=O)[O-])c(Cl)ccc2s1 285058 PRQLWOAKDNUBHR-UHFFFAOYSA-N 228.660 3.166 5 50 BGBA Cc1ccccc1Nc1ccc([N+](=O)[O-])cn1 4091990 DAAROKLZNHNIST-UHFFFAOYSA-N 229.239 3.042 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)oc1ccccc12 3662477 UVFAHDAUVZRVCC-UHFFFAOYSA-N 213.192 3.494 5 50 BGBA aggregator O=[N+]([O-])c1ccccc1Oc1ccc(O)cc1 37674425 HCPZTWLWRNMUJJ-UHFFFAOYSA-N 231.207 3.093 5 50 BGBA CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 60252984 ODHRJCZDIXRFGP-UHFFFAOYSA-N 235.161 3.012 5 50 BGBA O=[N+]([O-])c1cc(-n2cccc2)ccc1Cl 1519691 ZNGIUEDAVLSYOS-UHFFFAOYSA-N 222.631 3.039 5 50 BGBA in-vitro C[N+](C)(C)CCC(=O)c1cccc2ccccc12 2557952 WZJKPXZLQTXALB-UHFFFAOYSA-N 242.342 3.119 5 50 BGBA aggregator O=[N+]([O-])c1cc(Cl)ccc1OC(F)(F)F 33966822 HJUSPAGBVDNGSB-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA in-vitro Cc1ccc2[nH]c3ccc(C)cc3c(=O)c2c1 39475480 IBEGAUGEWHXHQH-UHFFFAOYSA-N 223.275 3.298 5 50 BGBA O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 8729708 WVNUEQVVKNIIMZ-UHFFFAOYSA-N 227.219 3.074 5 50 BGBA CCCCOc1ccc([N+](=O)[O-])c(F)c1F 261494538 ZYZGIXOBDMNIOV-UHFFFAOYSA-N 231.198 3.052 5 50 BGBA O=c1c2ccccc2sc2ccccc12 3846791 YRHRIQCWCFGUEQ-UHFFFAOYSA-N 212.273 3.415 5 50 BGBA biogenic COc1c(/C=C/[N+](=O)[O-])ccc2ccccc12 669368777 IVQXPIIBHSNRNE-CMDGGOBGSA-N 229.235 3.096 5 50 BGBA CCCOc1c(Cl)ccc([N+](=O)[O-])c1F 261494420 XDLQZLYGMLDJBY-UHFFFAOYSA-N 233.626 3.176 5 50 BGBA C[N+]1(C)[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 825093276 FABBMRJGNSLFHH-KPWCQOOUSA-N 208.369 3.194 5 50 BGBA O=[N+]([O-])c1ccccc1OCc1ccccc1 156774 ZYWSXGRMDPBISP-UHFFFAOYSA-N 229.235 3.174 5 50 BGBA in-vitro CN(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 215736 IGFWXWRWGQBYBT-UHFFFAOYSA-N 248.326 3.359 5 50 BGBA C[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 4891695 KRAUCKDHEBBZGX-FZMZJTMJSA-N 248.326 3.263 5 50 BGBA O=[N+]([O-])c1cccc(C2Nc3ccccc3N2)c1 2166112 HSTJUFDTAMUZEJ-UHFFFAOYSA-N 241.250 3.131 5 50 BGBA in-vitro CCCCOc1cc(Cl)ccc1[N+](=O)[O-] 82238543 DORGSKTVIMIOCW-UHFFFAOYSA-N 229.663 3.427 5 50 BGBA O=[N+]([O-])c1cc(Cl)cc(OCC2CC2)c1 675050536 MTGDIEJMVGTOHA-UHFFFAOYSA-N 227.647 3.037 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)C=Nc1ccccc1O2 3033154 SYLIEQPXLCNFKC-UHFFFAOYSA-N 240.218 3.451 5 50 BGBA O=[N+]([O-])c1cc(Br)ccc1Cl 332360 DJRYWPGOQTUJMQ-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(OCCc2ccccc2)cc1 204855392 MWXFEBAOPNEXDT-UHFFFAOYSA-N 243.262 3.216 5 50 BGBA Cc1cc(CC(F)(F)F)ccc1[N+](=O)[O-] 95704730 CCAHAGBMWINSEO-UHFFFAOYSA-N 219.162 3.008 5 50 BGBA CCCC[N@@+]1(C)C[C@H]2CC(Cl)=CC[C@H]2C1 239338768 LEPNHGPYAZHNQP-YWPYICTPSA-N 228.787 3.396 5 50 BGBA Clc1ccc2ccc3cccnc3c2n1 231965 JHRMQHFRVPVGHL-UHFFFAOYSA-N 214.655 3.436 5 50 BGBA in-vitro CCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F 198441359 JQMOWLXFGCTGRR-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA CCCCCOc1cc(F)ccc1[N+](=O)[O-] 74937715 VGSGLEZOQKJPFM-UHFFFAOYSA-N 227.235 3.303 5 50 BGBA in-vitro CCSc1ccc(C[N+](C)(C)C)s1 48037 ALUOASGQSDIGDA-UHFFFAOYSA-N 216.395 3.066 5 50 BGBA O=Cc1ccccc1-c1ccc([N+](=O)[O-])cc1 8729822 PYTVTGNXHQJVBC-UHFFFAOYSA-N 227.219 3.074 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(/C=C/c2ccncc2)c1 287854 NGMZCGIDCNUHRJ-SNAWJCMRSA-N 226.235 3.160 5 50 BGBA O=[N+]([O-])c1cccc(Cl)c1Br 66325521 UYTRBIUOIKOGQO-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro O=[N+]([O-])c1ccccc1Nc1ccccc1 3874032 RUKISNQKOIKZGT-UHFFFAOYSA-N 214.224 3.338 5 50 BGBA in-vitro CCCCSc1ccc([N+](=O)[O-])cc1 150196788 WHYOJLDOGJLLID-UHFFFAOYSA-N 211.286 3.487 5 50 BGBA CN(C)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2556915 PLGALHOPBAVGHQ-UHFFFAOYSA-N 242.278 3.328 5 50 BGBA in-vitro O=[N+]([O-])c1ccc2[nH]c3ccccc3c2c1 1852213 ZYNHZTIMNJKVLK-UHFFFAOYSA-N 212.208 3.229 5 50 BGBA in-vitro COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2512541 AUIINENVMPWGQF-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA in-vitro Cn1c2ccccc2c(=O)c2oc3ccccc3c21 34435572 DPCALGVREGADMC-UHFFFAOYSA-N 249.269 3.438 5 50 BGBA CCCCNCc1c(Cl)cccc1[N+](=O)[O-] 82582704 UOMPNSWPQHDQFG-UHFFFAOYSA-N 242.706 3.138 5 50 BGBA O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])c2)c1 1845440 CCHRVFZBKRIKIX-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA biogenic Cc1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-] 1598818 MTNUOHVOHSKCBX-UHFFFAOYSA-N 241.246 3.134 5 50 BGBA CCN(CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 131028428 QTXXTMIVQAXQLU-UHFFFAOYSA-N 242.706 3.090 5 50 BGBA O=[N+]([O-])c1cc(Cl)c(F)c(C(F)(F)F)c1 22001446 DXSHRLNTFMMNIQ-UHFFFAOYSA-N 243.543 3.406 5 50 BGBA O=[N+]([O-])c1ccc(-c2ccccc2)nc1Cl 38998252 FEXPVVIOGUUGJM-UHFFFAOYSA-N 234.642 3.310 5 50 BGBA O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1 185362 FUWAHGXIDHERGQ-UHFFFAOYSA-N 241.246 3.020 5 50 BGBA biogenic CCCOc1cc([N+](=O)[O-])ccc1C(F)(F)F 201930028 MXZNOWFCGYIRIZ-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA Cc1cc(Cl)nc2ccc([N+](=O)[O-])cc12 235909 PTZXWOQFSDHSDM-UHFFFAOYSA-N 222.631 3.105 5 50 BGBA in-vitro O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)s1 8729732 GSBHPZWXHNZNTC-UHFFFAOYSA-N 249.247 3.022 5 50 BGBA O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1 2504546 VMAATSFMXSMKPG-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA in-vitro CC(=O)c1ccc([N+](=O)[O-])c(Cl)c1Cl 263623216 FRCRDFGGBDFJDT-UHFFFAOYSA-N 234.038 3.104 5 50 BGBA Cc1c(Cl)cc([N+](=O)[O-])cc1Cl 161412 RUVCGWLHTVGNGI-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(CN2CCCCCC2)s1 236872 JCPJQXBRBFULNH-UHFFFAOYSA-N 240.328 3.032 5 50 BGBA CCCCOc1c(F)ccc([N+](=O)[O-])c1F 261493896 LOIDGKKTGAOYQG-UHFFFAOYSA-N 231.198 3.052 5 50 BGBA O=[N+]([O-])c1ccc(CN2CCCCCCC2)cc1 207030 SUQORWOCQSCFRE-UHFFFAOYSA-N 248.326 3.361 5 50 BGBA COc1cc(C)c(/C=C/[N+](=O)[O-])cc1C(C)C 476465 VDUZJBFFBUUDNH-AATRIKPKSA-N 235.283 3.374 5 50 BGBA O=[N+]([O-])c1ccc(F)cc1NC1CCCC1 52119065 UIVSDNDIJOYWAU-UHFFFAOYSA-N 224.235 3.088 5 50 BGBA in-vitro O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 12956526 OCHOSUFDGPHRJA-UHFFFAOYSA-N 243.218 3.200 5 50 BGBA O=[N+]([O-])c1cc(F)ccc1Oc1ccc(O)cc1 37674451 BECPSZUZMMREGP-UHFFFAOYSA-N 249.197 3.232 5 50 BGBA O=[N+]([O-])c1ccc(-c2cccc(F)c2)cc1 74937832 IYKGFDKPPCITJX-UHFFFAOYSA-N 217.199 3.401 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(SCC2CC2)cc1 126202902 SKDCINKDFVMMND-UHFFFAOYSA-N 209.270 3.097 5 50 BGBA O=[N+]([O-])c1ccc(F)c(OCc2ccccc2)c1 75881917 LAUAOGSIUWTVEZ-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA CCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 261493993 NKLHIQCWSGPHOJ-UHFFFAOYSA-N 235.161 3.012 5 50 BGBA Cc1ccc(OC(C)(C)C)c([N+](=O)[O-])c1 96347804 YFDINFAXPXAYFW-UHFFFAOYSA-N 209.245 3.081 5 50 BGBA O=[N+]([O-])c1ccc(Nc2ccccc2)cc1 3860846 XXYMSQQCBUKFHE-UHFFFAOYSA-N 214.224 3.338 5 50 BGBA biogenic,in-vitro O=c1c2ccccc2[nH]c2c1oc1ccccc12 39187239 IIHLGQTXQZXTKM-UHFFFAOYSA-N 235.242 3.428 5 50 BGBA Cc1ccc([N+](=O)[O-])cc1Cc1ccccc1 315100 GNZFDGIRMSFOKG-UHFFFAOYSA-N 227.263 3.494 5 50 BGBA O=[N+]([O-])c1ccc(C=C(Cl)Cl)s1 803889 ARKDPJUUWFTXNH-UHFFFAOYSA-N 224.068 3.432 5 50 BGBA Cc1cc2cc3cc(C)c(N)cc3nc2cc1N 3874004 HGHJYCKSBMCGRK-UHFFFAOYSA-N 237.306 3.169 5 50 BGBA in-vitro CSc1ccc(/C=C(\C)[N+](=O)[O-])cc1 4697547 MQKAYCNNJFDVDE-BQYQJAHWSA-N 209.270 3.046 5 50 BGBA CC(C)(C)COc1cccc([N+](=O)[O-])c1 199874419 NBFHFXABSWDRSL-UHFFFAOYSA-N 209.245 3.020 5 50 BGBA CCCOc1ccc([N+](=O)[O-])cc1OCCC 4831665 RYNFYPWJNRXYGG-UHFFFAOYSA-N 239.271 3.172 5 50 BGBA Cc1cc(N)ccc1-c1ccc([N+](=O)[O-])cc1C 438499 HUPWKPLOAAZNDA-UHFFFAOYSA-N 242.278 3.461 5 50 BGBA O=[N+]([O-])c1csc2c1ncc1sccc12 334546 KKIVKRAFOZIANK-UHFFFAOYSA-N 236.277 3.419 5 50 BGBA CCCCc1nc2c([N+](=O)[O-])cccc2o1 8762656 RRIITKVVCDQJHN-UHFFFAOYSA-N 220.228 3.079 5 50 BGBA CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1675837 CVSGKJVJFSEPSO-UHFFFAOYSA-N 241.246 3.464 5 50 BGBA CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4183230 CQWOAHWBXWSXHN-UHFFFAOYSA-N 248.204 3.436 5 50 BGBA O=[N+]([O-])c1ccc(-c2cccc(O)c2)cc1F 725270297 ZURLQQHOTNNFBW-UHFFFAOYSA-N 233.198 3.107 5 50 BGBA O=[N+]([O-])c1ccccc1Nc1ccc(F)cc1 4529563 UFHNNTOZYJSSPQ-UHFFFAOYSA-N 232.214 3.478 5 50 BGBA CC1(C)C=Cc2c([N+](=O)[O-])ccc(F)c21 261507461 IVZDLYGCHGWCLM-UHFFFAOYSA-N 207.204 3.038 5 50 BGBA O=[N+]([O-])c1ccc(F)cc1Nc1ccccc1 82046434 MGLYOAKLGQZIHK-UHFFFAOYSA-N 232.214 3.478 5 50 BGBA in-vitro O=[N+]([O-])c1cc(Cl)c(Cl)cc1F 56754 FXOCDIKCKFOUDE-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA in-vitro CC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 3852645 ROHQIQHHCVCZKW-UHFFFAOYSA-N 231.207 3.057 5 50 BGBA biogenic COc1cccc(-c2cccc([N+](=O)[O-])c2)c1 77031562 ILPDMCFOTCDUKX-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA in-vitro CC[C@@H]1C2C[C@@H]3C[C@H](C2)C[B-]1([N+](C)(C)C)C3 224924838 HIQBELURUCVYHE-VGVBULKLSA-N 221.197 3.478 5 50 BGBA O=[N+]([O-])c1ccccc1C1SCCCS1 2559785 RDJLLIFTXQSIQG-UHFFFAOYSA-N 241.337 3.464 5 50 BGBA O=[N+]([O-])c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 1675941 LTPDHLOPQDBSOL-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 1666483 KIHOOGDHEALLCJ-UHFFFAOYSA-N 241.246 3.020 5 50 BGBA CN(C)/C=C/c1ccc2ccccc2c1[N+](=O)[O-] 52530305 ADLFDROCPXPTRU-MDZDMXLPSA-N 242.278 3.280 5 50 BGBA O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1F 2243307 OWALCRQILZGQDH-UHFFFAOYSA-N 227.981 3.180 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(F)cc1NC1CCCCC1 52119029 BDAGJCYNHHOIGG-UHFFFAOYSA-N 238.262 3.479 5 50 BGBA C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 183581 MSZLTIUJRMFEAU-FZMZJTMJSA-N 248.326 3.263 5 50 BGBA CCc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl 2562555 YTVCECQSAPGJBB-UHFFFAOYSA-N 236.054 3.170 5 50 BGBA C[C@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] 15443055 AHRVMBCZNFITCD-VIFPVBQESA-N 238.262 3.113 5 50 BGBA CC(C)(C)c1ccc(S)c([N+](=O)[O-])c1 26893580 RWVZPROTBDMZLY-UHFFFAOYSA-N 211.286 3.181 5 50 BGBA O=[N+]([O-])c1cccc(CNC2CCCCC2)c1 293191 ATQVNKQVUGCPIF-UHFFFAOYSA-N 234.299 3.017 5 50 BGBA Cc1cc(C)c2c(ccc3cccc[n+]32)c1 967305 XSOWBIFZHQDSMT-UHFFFAOYSA-N 208.284 3.195 5 50 BGBA CCCCOc1cc([N+](=O)[O-])c(F)cc1F 261493748 ILSAXLYHHSOUMS-UHFFFAOYSA-N 231.198 3.052 5 50 BGBA CCOc1ccc(C(C)(C)C)cc1[N+](=O)[O-] 261494034 OGHAVVWZKPGLIM-UHFFFAOYSA-N 223.272 3.291 5 50 BGBA CCOc1ccc2cc([N+](=O)[O-])ccc2c1 71255502 USHAMEWWFJYLSB-UHFFFAOYSA-N 217.224 3.147 5 50 BGBA CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 4015015 IYHKPJYDDKJPLJ-UHFFFAOYSA-N 235.070 3.333 5 50 BGBA CCC[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] 74937725 DMGXWZCNPSMBQT-MRVPVSSYSA-N 227.235 3.301 5 50 BGBA in-vitro CC(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 263624729 SYSMZRHQINEHDW-UHFFFAOYSA-N 234.038 3.104 5 50 BGBA Oc1ccc2c(O)c3cc(O)ccc3cc2c1 43214900 WJRIGIHYMPGGJV-UHFFFAOYSA-N 226.231 3.110 5 50 BGBA O=[N+]([O-])c1cccc(NCc2ccccc2)c1 47900 OVZNWAWUJPSLHM-UHFFFAOYSA-N 228.251 3.207 5 50 BGBA in-vitro O=c1c2ccccc2[nH]c2ccc(Cl)cc12 5017032 WNLFUMVKGWEXBI-UHFFFAOYSA-N 229.666 3.335 5 50 BGBA in-vitro CN(C)c1cc2ccccc2c(=O)c2ccccc12 398736 MRYISSNGRODIFQ-UHFFFAOYSA-N 249.313 3.419 5 50 BGBA Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 60706437 SQMZODGIHXHNAW-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA O=[N+]([O-])c1ccc(Oc2cccc(O)c2)cc1 235601 DROHRAYYEDKXIN-UHFFFAOYSA-N 231.207 3.093 5 50 BGBA O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Cl 77028577 WMEHRJJXMQRTOU-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA in-vitro Cc1cnc(OC2CCCCC2)c([N+](=O)[O-])c1 261493919 LYRZWAPKXUQPFB-UHFFFAOYSA-N 236.271 3.010 5 50 BGBA CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 138585 OEOKNZHWNVTEMR-UHFFFAOYSA-N 237.202 3.336 5 50 BGBA Cc1nc(Oc2ccccc2)ccc1[N+](=O)[O-] 261508988 YVBSKZKMHJBACA-UHFFFAOYSA-N 230.223 3.091 5 50 BGBA in-vitro COc1ccc2cc3c(C)cc(=O)oc3cc2c1 44069502 GWFUYESISQUIHB-UHFFFAOYSA-N 240.258 3.263 5 50 BGBA O=Cc1ccccc1Oc1ccccc1[N+](=O)[O-] 225828 GJXQFZNGTPPSPV-UHFFFAOYSA-N 243.218 3.200 5 50 BGBA O=[N+]([O-])c1ccc(NC2CCCCC2)cc1 5331382 DWNVLQGHNLUJTJ-UHFFFAOYSA-N 220.272 3.339 5 50 BGBA in-vitro CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4058839 XGYBRXYMSSZKPY-UHFFFAOYSA-N 234.177 3.045 5 50 BGBA in-vitro O=[N+]([O-])c1ccc2c3c(oc2c1)CCCC3 4798781 CROQKQFGSNIIFQ-UHFFFAOYSA-N 217.224 3.220 5 50 BGBA Cc1c(C)c2cccnc2c2ncccc12 120464 BRPQDJPJBCQFSR-UHFFFAOYSA-N 208.264 3.400 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(Cl)c(Br)c1 2575300 CGTVUAQWGSZCFH-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro CCCCOc1ccc(/C=C\[N+](=O)[O-])cc1 4531874 FYILCDGTZXDKGQ-HJWRWDBZSA-N 221.256 3.113 5 50 BGBA Cc1cc(N2CCCCCC2)ccc1[N+](=O)[O-] 59537410 NOHZVSWQVQOSHM-UHFFFAOYSA-N 234.299 3.284 5 50 BGBA CCN(CC)Cc1c(Cl)cccc1[N+](=O)[O-] 163286375 RMGGYKIXTGXNMK-UHFFFAOYSA-N 242.706 3.090 5 50 BGBA Cc1ccc([N+](=O)[O-])cc1OCc1ccccc1 145480329 AZKRZTZMYWCUTK-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA CC(C)(C)c1cc2cc([N+](=O)[O-])ccc2[nH]1 1519015 KWEGNNIENUBTCE-UHFFFAOYSA-N 218.256 3.374 5 50 BGBA C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 183580 MSZLTIUJRMFEAU-BXUZGUMPSA-N 248.326 3.263 5 50 BGBA O=[N+]([O-])c1ccccc1CNC1CCCCC1 4685560 CAIAXUOSOILHKG-UHFFFAOYSA-N 234.299 3.017 5 50 BGBA CCSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 620631 ACSQTTDVIRVUNR-UHFFFAOYSA-N 249.295 3.097 5 50 BGBA O=[N+]([O-])c1ccccc1/C=C/c1ccccn1 3845008 YADNATDOWRSAOC-CMDGGOBGSA-N 226.235 3.160 5 50 BGBA O=[N+]([O-])c1ccccc1Nc1ccc(O)cc1 4054876 HSDSBIUUVWRHTM-UHFFFAOYSA-N 230.223 3.044 5 50 BGBA CC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl 263625121 WYBDIJMXMPNTQY-UHFFFAOYSA-N 234.038 3.104 5 50 BGBA O=[N+]([O-])c1ccc(OCc2ccccc2)cc1F 12471377 JUGGVCLJDPHFQC-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA in-vitro O=[N+]([O-])C[C@@H](Nc1ccccc1)c1ccccc1 187263 DXNPTDAKAGNRMX-CQSZACIVSA-N 242.278 3.117 5 50 BGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC1 16384673 TVYYMXQIRKBFDY-UHFFFAOYSA-N 246.188 3.188 5 50 BGBA in-vitro CCCN(Cc1ccccc1[N+](=O)[O-])CC1CC1 219374 SDCSQPDZHOACJX-UHFFFAOYSA-N 248.326 3.217 5 50 BGBA O=[N+]([O-])c1ccc(NCCc2ccccc2)cc1 5278930 KJWNXFAVYUAJBP-UHFFFAOYSA-N 242.278 3.249 5 50 BGBA O=[N+]([O-])c1ccccc1/C=C/C(F)(F)F 584609696 WPXGJRXYFMGUPG-AATRIKPKSA-N 217.146 3.170 5 50 BGBA O=[N+]([O-])c1ccc(-c2ccccc2)c(F)c1 47207680 SWICQDMPIFBOMB-UHFFFAOYSA-N 217.199 3.401 5 50 BGBA CCCCNc1c([N+](=O)[O-])ccc(F)c1F 53162758 FJWJZNBNYYMEQK-UHFFFAOYSA-N 230.214 3.085 5 50 BGBA in-vitro CC[N+](C)(C)Cc1ccccc1Br 1041 AAQOQKQBGPPFNS-UHFFFAOYSA-N 243.168 3.045 5 50 BGBA world Cc1cc(Cc2ccc([N+](=O)[O-])cc2)c(C)cn1 471087 LVPCQBQMMCCPAO-UHFFFAOYSA-N 242.278 3.197 5 50 BGBA C[N+](C)(C)CCC12CC3CC(CC(C3)C1)C2 215530041 JULASHODBIJUIW-UHFFFAOYSA-N 222.396 3.299 5 50 BGBA O=[N+]([O-])c1ccc(SCc2ccccc2)nc1 57681835 MGLFLVGCFWFENG-UHFFFAOYSA-N 246.291 3.282 5 50 BGBA CCC[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] 74937726 DMGXWZCNPSMBQT-QMMMGPOBSA-N 227.235 3.301 5 50 BGBA in-vitro O=[N+]([O-])c1ccccc1N1CC[C@H]2CCCC[C@H]21 225576017 MRZVIWGROBAMCU-VXGBXAGGSA-N 246.310 3.364 5 50 BGBA O=[N+]([O-])c1ccc(Br)c(Cl)c1 2011460 YKSXEJZFIQAUHJ-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA O=[N+]([O-])c1ccc(Sc2ccccc2)nc1 78392 DZMDLSOFHNYXMM-UHFFFAOYSA-N 232.264 3.141 5 50 BGBA COc1cccc(-c2ccc([N+](=O)[O-])cc2)c1 74937833 RHXHCVSIRNYRDA-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(NC2CC2)c(C(F)(F)F)c1 37754779 FDTIGTKOZJEUPY-UHFFFAOYSA-N 246.188 3.188 5 50 BGBA CCCCOc1c(F)c(C)cc([N+](=O)[O-])c1F 261494372 VXUOMXDASPEXRQ-UHFFFAOYSA-N 245.225 3.360 5 50 BGBA CCCCCC(=O)c1ccc([N+](=O)[O-])cc1 36373300 PDMPLOWEZXVKNP-UHFFFAOYSA-N 221.256 3.358 5 50 BGBA O=[N+]([O-])c1ccc(CNC2CCCCCC2)cc1 294761 JIFJLALKYPETLR-UHFFFAOYSA-N 248.326 3.407 5 50 BGBA CN(Cc1ccccc1[N+](=O)[O-])C1CCCCC1 23281572 GDRZPWMSPDDHEA-UHFFFAOYSA-N 248.326 3.359 5 50 BGBA in-vitro CCCCOc1cc(F)c([N+](=O)[O-])cc1F 261493573 DWXQYTPYGVMTHB-UHFFFAOYSA-N 231.198 3.052 5 50 BGBA C[C@@H](C12CC3CC(CC(C3)C1)C2)[N+](C)(C)C 4762700 ZMEWKKPUMKQBRG-DYQPHDICSA-N 222.396 3.298 5 50 BGBA CCCN(CCC)c1c(F)cccc1[N+](=O)[O-] 238791145 NGDCGHMEMZJGHH-UHFFFAOYSA-N 240.278 3.360 5 50 BGBA CC(C)Oc1ccc([N+](=O)[O-])cc1Cl 82595789 YFUKYMOLGMHASH-UHFFFAOYSA-N 215.636 3.035 5 50 BGBA Cc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1 4567918 NHPAURBKWZQCDB-UHFFFAOYSA-N 238.290 3.002 5 50 BGBA Clc1ncnc2c1ccc1ccccc12 160100709 GOPUDVUYTKXDOR-UHFFFAOYSA-N 214.655 3.436 5 50 BGBA O=[N+]([O-])c1ccc(/C=C/c2ccncc2)cc1 37868705 YTSRULMQDDSWNN-OWOJBTEDSA-N 226.235 3.160 5 50 BGBA Cc1ccc2c(Cl)nccc2c1[N+](=O)[O-] 82766598 IWLPTUUERGDBAR-UHFFFAOYSA-N 222.631 3.105 5 50 BGBA in-vitro CC(C)Cn1c(C(C)C)nc([N+](=O)[O-])c1Cl 274482 KVUAJIVXWJJOOG-UHFFFAOYSA-N 245.710 3.224 5 50 BGBA O=Cc1sccc1-c1cscc1[N+](=O)[O-] 334038 QHTLYWGQFLIBMZ-UHFFFAOYSA-N 239.277 3.197 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)C=C1CCCC=C1O2 76868 IDMVWQFHJLQWAL-UHFFFAOYSA-N 229.235 3.438 5 50 BGBA O=[N+]([O-])c1cccc(N2Cc3ccccc3C2)c1 75334 KGTVGOAEWDYWLH-UHFFFAOYSA-N 240.262 3.115 5 50 BGBA O=[N+]([O-])c1ccccc1CN1CCCCCCC1 239891 MFSVCVJSDJGWTC-UHFFFAOYSA-N 248.326 3.361 5 50 BGBA CC[C@H]1C2C[C@@H]3C[C@H](C2)C[B-]1([N+](C)(C)C)C3 196387616 HIQBELURUCVYHE-HKGGGCDWSA-N 221.197 3.478 5 50 BGBA CCCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 168407363 BGJDBMPPNVQGIU-UHFFFAOYSA-N 227.647 3.231 5 50 BGBA O=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1 4687464 MTVDYRBCOYNKQA-UHFFFAOYSA-N 240.690 3.239 5 50 BGBA CC(C)COc1cc(Cl)cc([N+](=O)[O-])c1 261493760 IROXWLCKIUXDIV-UHFFFAOYSA-N 229.663 3.283 5 50 BGBA CCC[N+]1(CCC)C[C@H]2CCCC[C@H]2C1 1857801027 SRXAYNUORQDESS-OKILXGFUSA-N 210.385 3.443 5 50 BGBA O=[N+]([O-])c1ccc(-c2ccc(F)cc2)cc1 1698871 GMPGAPATPBXNSX-UHFFFAOYSA-N 217.199 3.401 5 50 BGBA Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1 314011 VWKXLZKNKFOCCW-UHFFFAOYSA-N 220.253 3.027 5 50 BGBA in-vitro CC(C)Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 261494322 UYOAAOBBEMITOV-UHFFFAOYSA-N 249.188 3.401 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)Nc1ccccc1CC2 169330438 MYVVQQSEAQRXHN-UHFFFAOYSA-N 240.262 3.437 5 50 BGBA COc1ccccc1Oc1ccc([N+](=O)[O-])cc1 4582656 OOSBNKMKKNIQAN-UHFFFAOYSA-N 245.234 3.396 5 50 BGBA ON=c1c2ccccc2ccc2ccccc12 1730903 LRBLEEPNJOPXOB-UHFFFAOYSA-N 221.259 3.283 5 50 BGBA O=[N+]([O-])[C@@H]1CC=CC[C@@H]1c1ccccc1Cl 44125904 PUVDDEGPZJEFLM-ZYHUDNBSSA-N 237.686 3.419 5 50 BGBA Cc1ccc(-c2ccc(Cl)nn2)cc1[N+](=O)[O-] 20096251 PMVOXPUXLNFCEP-UHFFFAOYSA-N 249.657 3.014 5 50 BGBA C[N+](C)(C)CCC(=O)c1ccc2ccccc2c1 2557953 JOVXNHIPEIWDDU-UHFFFAOYSA-N 242.342 3.119 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(Cl)c(-n2cccc2)c1 1519674 JHPVTHSNFBMTDT-UHFFFAOYSA-N 222.631 3.039 5 50 BGBA in-vitro COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 6406538 BEABLOWGDKIDPS-UHFFFAOYSA-N 243.262 3.194 5 50 BGBA Cc1cc(C)c2c(=O)c3cccc(C)c3[nH]c2n1 12341461 GKJRHALSTIYKOE-UHFFFAOYSA-N 238.290 3.002 5 50 BGBA O=[N+]([O-])c1c(F)ccc(Cl)c1Cl 141092189 ZPHVCFRWQIJBAZ-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA O=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1 13562371 RBWIGCZMJZUUCB-QPJJXVBHSA-N 226.235 3.160 5 50 BGBA CCCc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 8781879 DLWXAHKMEYVCBJ-UHFFFAOYSA-N 240.646 3.342 5 50 BGBA O=C(O)CCCCCCCCCCC[N+](=O)[O-] 2166909 WBFNNQMHXFHGCE-UHFFFAOYSA-N 245.319 3.249 5 50 BGBA O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1 4692918 FHOXCSDDMCCTPM-UHFFFAOYSA-N 239.234 3.138 5 50 BGBA O=[N+]([O-])c1cccc2c1ccc1ncccc12 225063 VAXVWLQKOFVEEX-UHFFFAOYSA-N 224.219 3.296 5 50 BGBA C[N+](C)(C)Cc1ccccc1C[Si](C)(C)C 196050301 AYAVTMQPKPOERC-UHFFFAOYSA-N 236.455 3.313 5 50 BGBA in-vitro CCCC[N@+]1(C)C[C@@H]2CC=C(Cl)C[C@H]2C1 239338766 LEPNHGPYAZHNQP-SLEUVZQESA-N 228.787 3.396 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)COc1ccccc1O2 1058253 SUILBQMWSCUVNS-UHFFFAOYSA-N 243.218 3.280 5 50 BGBA O=[N+]([O-])c1ccc(CNC2CCCCC2)cc1 326405 GJAOBNFUBCBDCZ-UHFFFAOYSA-N 234.299 3.017 5 50 BGBA O=[N+]([O-])c1cc(F)cc(Cl)c1Cl 263625238 XZXKIMPRHQKEIJ-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA O=[N+]([O-])c1ccc(Cl)nc1Nc1ccccc1 4054720 XYEVAHUAWWCGGQ-UHFFFAOYSA-N 249.657 3.387 5 50 BGBA O=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1 4988997 FDNXSQGWMSLYCN-SOFGYWHQSA-N 246.310 3.094 5 50 BGBA CCc1cc(C)c2cccc([N+](=O)[O-])c2n1 3091436 RHOGVMOYHYATHR-UHFFFAOYSA-N 216.240 3.014 5 50 BGBA CCCCOc1ccc(/C=C/[N+](=O)[O-])cc1 2559393 FYILCDGTZXDKGQ-CMDGGOBGSA-N 221.256 3.113 5 50 BGBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 5769720 JXUSFTPOSKHESK-UHFFFAOYSA-N 248.282 3.114 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)Cc1c(F)cccc1-2 1673261 CYDFXQLYRMDTJA-UHFFFAOYSA-N 229.210 3.305 5 50 BGBA COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 2556886 HVYOIIIEAVPMCR-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA in-vitro CCCC[N@+]1(C)C[C@H]2CC=C(Cl)C[C@H]2C1 239338767 LEPNHGPYAZHNQP-TYNCELHUSA-N 228.787 3.396 5 50 BGBA Cc1cccc(OCc2ccccc2)c1[N+](=O)[O-] 2564414 ZUMJNYJMXBJJIC-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA in-vitro Cc1cccc2c1[nH]c1c2ccc2cnc(O)nc21 498049496 XWLONELPOUEXDX-UHFFFAOYSA-N 249.273 3.278 5 50 BGBA Cc1cc2sc3ccccc3c(=O)c2cc1O 4006740 IPSXHZSTGGEFGR-UHFFFAOYSA-N 242.299 3.429 5 50 BGBA Cc1cc(-c2ccc(C=O)o2)c([N+](=O)[O-])cc1C 64037993 XYFBIXLIJOSHED-UHFFFAOYSA-N 245.234 3.284 5 50 BGBA O=[N+]([O-])c1ccc2nc(C3CCCC3)[nH]c2c1 379872390 QEFBQPKNYBYOIS-UHFFFAOYSA-N 231.255 3.129 5 50 BGBA O=[N+]([O-])c1c(Cl)cc(F)cc1Cl 220842262 JWOMHBXKHCIYHQ-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA CCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 196999511 CHIQKAGCFOOVMH-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA O=[N+]([O-])c1coc2c(Cl)c(Cl)c(O)cc12 1421033 HHRHORVDEJKASB-UHFFFAOYSA-N 248.021 3.353 5 50 BGBA O=[N+]([O-])c1cc(Br)c2occc2c1 141804334 IVLIXOREUPTURA-UHFFFAOYSA-N 242.028 3.104 5 50 BGBA CCOc1ccc([N+](=O)[O-])c(Cl)c1Cl 34146907 GMSIKRKBPDYSOO-UHFFFAOYSA-N 236.054 3.300 5 50 BGBA O=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 34496183 NGXQRTNNSHZDDA-UHFFFAOYSA-N 243.218 3.200 5 50 BGBA in-vitro CC1(C)CCC(O)=C(c2ccc([N+](=O)[O-])cn2)C1 100695835 DWEHXXPYEOWXIT-UHFFFAOYSA-N 248.282 3.469 5 50 BGBA c1ccc2c(c1)[nH]c1c2ccc2nccnc21 5904420 NSZFLMNSYSRWSJ-UHFFFAOYSA-N 219.247 3.264 5 50 BGBA O=[N+]([O-])c1cccnc1SCc1ccccc1 56975 CRGAGHBQCBIQPJ-UHFFFAOYSA-N 246.291 3.282 5 50 BGBA O=[N+]([O-])/C=C/c1ccc(-c2ccc(F)cc2)o1 451034 OMLSYONLCFBYLS-BQYQJAHWSA-N 233.198 3.333 5 50 BGBA O=[N+]([O-])c1cc(F)c(Cl)c(F)c1Cl 95944485 JMGWWGJSSUQAFX-UHFFFAOYSA-N 227.981 3.180 5 50 BGBA in-vitro CC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 263622767 ATNJEUOOJCHPNH-UHFFFAOYSA-N 234.038 3.104 5 50 BGBA O=[N+]([O-])c1ccccc1C[C@@H]1CC1(Cl)Cl 281926 AGRSPZDVPVRTTE-MRVPVSSYSA-N 246.093 3.331 5 50 BGBA biogenic C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl 313543 NWUVDCMOTQSUME-VIFPVBQESA-N 246.093 3.430 5 50 BGBA O=[N+]([O-])c1ccc(OCc2ccccc2F)cc1 145398497 BQHYIXOUQOWTPE-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA CC(C)CCOc1cc([N+](=O)[O-])c(F)cc1F 261493985 NHXONMQNYUAGBG-UHFFFAOYSA-N 245.225 3.298 5 50 BGBA CCC[N+]1(CCC)C[C@H]2CCCC[C@@H]2C1 1857801028 SRXAYNUORQDESS-ZIAGYGMSSA-N 210.385 3.443 5 50 BGBA O=Cc1cscc1-c1ccsc1[N+](=O)[O-] 334040 RZIYQUKMTLIYRM-UHFFFAOYSA-N 239.277 3.197 5 50 BGBA Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 1593153 AOTWCYSQDSKAQT-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA biogenic,in-vitro COc1c(Cl)cc([N+](=O)[O-])cc1OC(C)C 261494410 WXSHUENZJWDPOB-UHFFFAOYSA-N 245.662 3.044 5 50 BGBA O=Cc1ccsc1-c1ccccc1[N+](=O)[O-] 334059 TUJKPYKOYHDHMY-UHFFFAOYSA-N 233.248 3.136 5 50 BGBA O=c1c2ccccc2ccc2ccccc12 1760831 SNVTZAIYUGUKNI-UHFFFAOYSA-N 206.244 3.353 5 50 BGBA biogenic,in-vitro C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 21794634 RAKMWGKBCDCUDX-SNVBAGLBSA-N 243.266 3.163 5 50 BGBA in-vitro O=[N+]([O-])c1c(Cl)cccc1Br 36532661 QSRMCGRAEBIWOH-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA O=[N+]([O-])c1ccc(/C=C/C2=NCCCS2)cc1 71773838 KQODNIUTISKTJV-QPJJXVBHSA-N 248.307 3.143 5 50 BGBA O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])cc1 2034473 IZNVUHOCXBQQHM-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA O=[N+]([O-])c1cccnc1Nc1ccc(Cl)cc1 4409480 DBNVUUAEJABOLB-UHFFFAOYSA-N 249.657 3.387 5 50 BGBA Cc1noc(/C=C/c2ccc(F)cc2)c1[N+](=O)[O-] 4771061 MVRNSBIOCKYHLA-QPJJXVBHSA-N 248.213 3.201 5 50 BGBA C[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 4891693 KRAUCKDHEBBZGX-RISCZKNCSA-N 248.326 3.263 5 50 BGBA CCCN(CCC)c1ccc([N+](=O)[O-])cc1F 238791144 UAJNPQAJLZZEED-UHFFFAOYSA-N 240.278 3.360 5 50 BGBA CCCOc1cc(Cl)cc([N+](=O)[O-])c1 261493548 DIHPFGSXEJKICM-UHFFFAOYSA-N 215.636 3.037 5 50 BGBA CC(=O)c1c(Cl)ccc(Cl)c1[N+](=O)[O-] 263624555 RNZRKGYDGACPCZ-UHFFFAOYSA-N 234.038 3.104 5 50 BGBA C[N+]1(CCn2ccc3ccccc32)CCCCC1 204373 XZRVMGPNLFPJIR-UHFFFAOYSA-N 243.374 3.272 5 50 BGBA OCc1cc2ccccc2c2ccccc12 1577043 YTBUBUXQLGFKKL-UHFFFAOYSA-N 208.260 3.485 5 50 BGBA in-vitro CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 4988695 LXNRSMAZSSVNGS-CYBMUJFWSA-N 248.326 3.359 5 50 BGBA C/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] 5047649 DTZVIBZSHDZFPP-CSKARUKUSA-N 213.236 3.477 5 50 BGBA COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 38293912 QSDQMICORAGYCY-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F 57136 CFPIGEXZPWTNOR-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro O=[N+]([O-])[C@H]1CC=CC[C@@H]1c1ccccc1Cl 44125896 PUVDDEGPZJEFLM-PWSUYJOCSA-N 237.686 3.419 5 50 BGBA Cc1cc(O)cc2c(=O)c3ccccc3sc12 4482251 LHXGLTZNCXCSKG-UHFFFAOYSA-N 242.299 3.429 5 50 BGBA CC(C)SCc1cccc([N+](=O)[O-])c1 133617663 TUFYBXPGADESPJ-UHFFFAOYSA-N 211.286 3.236 5 50 BGBA CNc1ccc2nc3ccc(N)cc3[s+]c2c1 4366939 ZXJNPFSPKGRFRO-UHFFFAOYSA-N 242.327 3.355 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(F)c1OC1CCCC1 67800679 ITNISDUHPZFZSR-UHFFFAOYSA-N 225.219 3.055 5 50 BGBA O=[N+]([O-])c1ccc(F)c(OC2CCCC2)c1F 261493410 ANPYEIHXQIHXFI-UHFFFAOYSA-N 243.209 3.194 5 50 BGBA O=[N+]([O-])c1ccc(CSc2ccccn2)cc1 40558 SAGZPBGIVZXYBE-UHFFFAOYSA-N 246.291 3.282 5 50 BGBA Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 243778 CHIJEKAVDZLCJA-OWOJBTEDSA-N 240.262 3.347 5 50 BGBA Cc1nc2ccccc2c2nc3ccccc3n12 172854 NQIDXSKSTZTFTA-UHFFFAOYSA-N 233.274 3.344 5 50 BGBA CC(C)(C)c1cc(Cl)c(N)c([N+](=O)[O-])c1 79387410 NMPRUOCXHYMXLG-UHFFFAOYSA-N 228.679 3.128 5 50 BGBA O=c1c2ccccc2c2nccn2c2ccccc12 13211965 AYSFVIFYOXIPOH-UHFFFAOYSA-N 246.269 3.001 5 50 BGBA CC(C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 37754774 MDYMVCKIVPOBCK-UHFFFAOYSA-N 248.204 3.434 5 50 BGBA O=[N+]([O-])c1cccc(OCc2ccccc2)c1 2164821 GEIJLPZQQHHUPS-UHFFFAOYSA-N 229.235 3.174 5 50 BGBA c1ccc2c(c1)c1ccccc1c1n[nH]nc21 5286535 IUUAERVZHMFZKY-UHFFFAOYSA-N 219.247 3.264 5 50 BGBA O=Cc1c2ccccc2nc2ccccc12 4100749 ISOCABSXIKQOOV-UHFFFAOYSA-N 207.232 3.201 5 50 BGBA biogenic,in-vitro OCc1c2ccccc2cc2ccccc12 1763653 JCJNNHDZTLRSGN-UHFFFAOYSA-N 208.260 3.485 5 50 BGBA in-vitro CNc1cc(N2CCCCCC2)ccc1[N+](=O)[O-] 4740907 SNMRCULYPMIJCM-UHFFFAOYSA-N 249.314 3.017 5 50 BGBA CN(C)c1ccc2c(c1)oc(=O)c1ccccc12 398746 BEMAPOPZFOZVDQ-UHFFFAOYSA-N 239.274 3.012 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)ncn2C1CCCCC1 1056940 XIMIESMDRDHIGT-UHFFFAOYSA-N 245.282 3.450 5 50 BGBA OCc1cccc2ccc3ccccc3c12 2162190 UJSGLVQRVAPNIY-UHFFFAOYSA-N 208.260 3.485 5 50 BGBA C[C@H](C(c1ccccc1)c1ccccc1)[N+](=O)[O-] 5920516 REYXTZHGIGOQLV-GFCCVEGCSA-N 241.290 3.484 5 50 BGBA Cc1ccc(-c2ccc([N+](=O)[O-])nc2)c(C)c1 675073168 GQEQEYRGIHSXIZ-UHFFFAOYSA-N 228.251 3.274 5 50 BGBA Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 57126 ZBPKGHOGUVVDLF-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(COc2ccccc2F)cc1 437575 QEBVWIIIRLJIOW-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA O=[N+]([O-])c1cc(Cl)cc(C(F)(F)F)c1 1843521 ZQXCQTAELHSNAT-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro Cc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 4535934 NPVNREXWYAALLF-UHFFFAOYSA-N 229.239 3.042 5 50 BGBA O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1648209 BDLNCFCZHNKBGI-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1 6116667 CMZJLRGGVLHBMW-UHFFFAOYSA-N 244.206 3.170 5 50 BGBA CCCCOc1cc([N+](=O)[O-])ccc1Cl 86453382 LLCATPUXCKXZJB-UHFFFAOYSA-N 229.663 3.427 5 50 BGBA C[C@]1(c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl 313545 NWUVDCMOTQSUME-SECBINFHSA-N 246.093 3.430 5 50 BGBA C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 183577 MSZLTIUJRMFEAU-SMDDNHRTSA-N 248.326 3.263 5 50 BGBA CC(C)c1ccc([N+](=O)[O-])cc1Br 81991249 QMWKRZOLOPHTIM-UHFFFAOYSA-N 244.088 3.481 5 50 BGBA in-vitro CC(=O)c1cc([N+](=O)[O-])ccc1NC(C)(C)C 1772572597 SIRVUNZMUKBRRC-UHFFFAOYSA-N 236.271 3.008 5 50 BGBA Cc1cc(OCc2ccccc2)cc([N+](=O)[O-])c1 261493792 JJBCKBBHLMGZFV-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA O=[N+]([O-])c1ccc(N2CCCCCC2)c(F)c1 5046881 LJVYPBVHNCEVFI-UHFFFAOYSA-N 238.262 3.114 5 50 BGBA O=[N+]([O-])c1ccc(CNc2cccc(F)c2)cc1 4989430 LAOKTLFQBDVBCS-UHFFFAOYSA-N 246.241 3.346 5 50 BGBA COc1ccc2c(oc(=O)c3ccccc32)c1C 46578 VNVPOJFTGUIDIG-UHFFFAOYSA-N 240.258 3.263 5 50 BGBA biogenic O=[N+]([O-])c1cc(F)ccc1OCc1ccccc1 75881909 ZHANNZIMSUWLLE-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA CCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 182111397 HLZAIAJPBWWKDQ-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA O=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1 7610251 UILWHYLTBYVYOU-UHFFFAOYSA-N 243.218 3.200 5 50 BGBA O=c1c2ccccc2[nH]c2c(Cl)cccc12 4755235 UNFRCVRJLUPLIP-UHFFFAOYSA-N 229.666 3.335 5 50 BGBA in-vitro NC(=O)c1cccc2cc3ccccc3cc12 347627 UMVFZJRCHRLAGC-UHFFFAOYSA-N 221.259 3.092 5 50 BGBA O=c1cc2[nH]c3ccccc3nc-2c2ccccc12 101461623 SUUJAUREVJXEII-UHFFFAOYSA-N 246.269 3.181 5 50 BGBA C[C@H](C12CC3CC(CC(C3)C1)C2)[N+](C)(C)C 4762702 ZMEWKKPUMKQBRG-SHIHICALSA-N 222.396 3.298 5 50 BGBA O=[N+]([O-])c1ccccc1Oc1cccc(O)c1 37674632 RQEKVVMGRXBZPZ-UHFFFAOYSA-N 231.207 3.093 5 50 BGBA CCCCOc1c(F)cc([N+](=O)[O-])cc1F 147014277 BZZJSUYWDMKZPD-UHFFFAOYSA-N 231.198 3.052 5 50 BGBA CCCCOc1cc(Cl)cc([N+](=O)[O-])c1 261493607 FUGFWTOKJXLBAL-UHFFFAOYSA-N 229.663 3.427 5 50 BGBA O=[N+]([O-])c1ccccc1Oc1ccccc1 159534 VNHGETRQQSYUGZ-UHFFFAOYSA-N 215.208 3.387 5 50 BGBA CCCN(Cc1ccc([N+](=O)[O-])cc1)CC1CC1 42931 YQPLVTNWKXWQQU-UHFFFAOYSA-N 248.326 3.217 5 50 BGBA OCc1ccc2cc3ccccc3cc2c1 967436 ZMUUBYLNJMTHBS-UHFFFAOYSA-N 208.260 3.485 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(OCc2ccccc2)cc1 91993 YOVUXLHIVNBVKO-UHFFFAOYSA-N 229.235 3.174 5 50 BGBA in-vitro C[N+](C)(C)C1(c2ccccc2)CCCC1 1775964833 GVMTZJTYXBMNKU-UHFFFAOYSA-N 204.337 3.162 5 50 BGBA CCCN(Cc1cccc([N+](=O)[O-])c1)CC1CC1 183380 PMQUXAXPFASEMA-UHFFFAOYSA-N 248.326 3.217 5 50 BGBA Cc1ccc2sc3ccc(N)cc3c(=O)c2c1 3883238 VVQULFWWOHEBQC-UHFFFAOYSA-N 241.315 3.305 5 50 BGBA CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 37754773 JNKHTJZKQWKONE-UHFFFAOYSA-N 248.204 3.436 5 50 BGBA CCCCCOc1cccc([N+](=O)[O-])c1 97335960 AQAMRMATJFGMAZ-UHFFFAOYSA-N 209.245 3.164 5 50 BGBA O=C(O)c1ccc2ccc3ccccc3c2n1 116403645 QFBNZMWRMLHBJP-UHFFFAOYSA-N 223.231 3.086 5 50 BGBA O=[N+]([O-])c1ccc(Cl)c(F)c1Cl 1706144 JSEVUBOYVADSHX-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA O=C(O)c1c2ccccc2nc2ccccc12 4181048 IYRYQBAAHMBIFT-UHFFFAOYSA-N 223.231 3.086 5 50 BGBA in-vitro CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4299145 DEMHINNRZSCFTK-UHFFFAOYSA-N 231.207 3.057 5 50 BGBA Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1 5765195 ZPCZNIYGVQMCOV-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA O=[N+]([O-])c1cc(Cl)c(Cl)c2ncccc12 5331443 DTZIPCLEUGPCOG-UHFFFAOYSA-N 243.049 3.450 5 50 BGBA CC(C)(C)CNc1cc(F)ccc1[N+](=O)[O-] 52120016 QJWIYZVNBDVNLH-UHFFFAOYSA-N 226.251 3.192 5 50 BGBA O=[N+]([O-])c1ccc([C@H](F)C(F)(F)F)cc1 616583116 WSHVLTKODGVLOL-ZETCQYMHSA-N 223.125 3.168 5 50 BGBA Cc1cccc(Nc2ccc([N+](=O)[O-])cc2N)c1 4622564 WPAISCOQHGBFRK-UHFFFAOYSA-N 243.266 3.229 5 50 BGBA O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1 57134 HQROXDLWVGFPDE-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(SC(F)(F)F)c1 1847504 LCYLLPJRCOQTHG-UHFFFAOYSA-N 223.175 3.207 5 50 BGBA C[N+]1(c2ccccc2)Cc2ccccc2C1 2018266 VIUXVDUNESHMCU-UHFFFAOYSA-N 210.300 3.338 5 50 BGBA CC(=O)c1cc2c(ccc3ccccc32)oc1=O 194080 UAMPJVJAALGMNG-UHFFFAOYSA-N 238.242 3.149 5 50 BGBA biogenic,in-vitro O=[N+]([O-])c1ccc(CNc2ccc(F)cc2)cc1 3080631 RYRJCCFCAVXUBL-UHFFFAOYSA-N 246.241 3.346 5 50 BGBA C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 21794638 RAKMWGKBCDCUDX-JTQLQIEISA-N 243.266 3.163 5 50 BGBA in-vitro Cc1cc([N+](=O)[O-])c(F)c(OCC(C)C)c1F 261493511 CNFAHYDRNWEZSS-UHFFFAOYSA-N 245.225 3.216 5 50 BGBA CC(C)Nc1ccc(Cl)cc1[N+](=O)[O-] 4267255 FVLRQKBPFQZCCT-UHFFFAOYSA-N 214.652 3.069 5 50 BGBA O=[N+]([O-])c1ccc(C(F)(F)F)cc1Cl 2564418 CZWWSPDHNLAYRJ-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 83383 PBAXHOUGHZKSRP-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA in-vitro C=Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 725241481 SVXSZVOPSUNQEQ-UHFFFAOYSA-N 226.235 3.300 5 50 BGBA Cc1n[nH]c(C)c1Sc1ccccc1[N+](=O)[O-] 432472 BHFNSUJWUNYOFK-UHFFFAOYSA-N 249.295 3.086 5 50 BGBA O=[N+]([O-])c1cccc(F)c1N1CCCCCC1 238791142 ZVSFXFHOYAJTFZ-UHFFFAOYSA-N 238.262 3.114 5 50 BGBA C[N+]1(C)[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 825093280 FABBMRJGNSLFHH-XJFOESAGSA-N 208.369 3.194 5 50 BGBA c1ccc2nc3c(nc2c1)[nH]c1ccccc13 1300693 LCKIWLDOHFUYDV-UHFFFAOYSA-N 219.247 3.264 5 50 BGBA CC[N+]1(Cc2ccccc2)CCCCC1 140418152 JXYXZIMSZPRYGA-UHFFFAOYSA-N 204.337 3.207 5 50 BGBA CC(C)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 147736277 FXQXNAVUTNZPTF-UHFFFAOYSA-N 249.188 3.401 5 50 BGBA Cc1cc([N+](=O)[O-])ccc1NCc1ccco1 4685499 WZLIESNRQAOHEK-UHFFFAOYSA-N 232.239 3.108 5 50 BGBA O=[N+]([O-])c1ccc(Cl)c(OCC2CC2)c1 85476767 QMJYEEVSIREZCG-UHFFFAOYSA-N 227.647 3.037 5 50 BGBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(C)c1Br 2146827 IUFDRRDWXUSFBG-UHFFFAOYSA-N 244.088 3.283 5 50 BGBA in-vitro O=[N+]([O-])C1(Br)CCCCCCC1 958527869 HLTPBERZVVEFBI-UHFFFAOYSA-N 236.109 3.099 5 50 BGBA Cc1c(Cl)ccc([N+](=O)[O-])c1Cl 122186 WBNZUUIFTPNYRN-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA in-vitro CC1=Nc2cc([N+](=O)[O-])ccc2NC(C)(C)C1 4821162 XYJPKUCILBDKBY-UHFFFAOYSA-N 233.271 3.281 5 50 BGBA O=[N+]([O-])c1ccc(Cl)c(-c2ccccn2)c1 32914820 AKVCBZWZBMTKMQ-UHFFFAOYSA-N 234.642 3.310 5 50 BGBA O=[N+]([O-])c1cccc(-c2nc3ccccc3[nH]2)c1 226013 GPFINXAYWOKPKM-UHFFFAOYSA-N 239.234 3.138 5 50 BGBA C[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 4891696 KRAUCKDHEBBZGX-BXUZGUMPSA-N 248.326 3.263 5 50 BGBA O=[N+]([O-])c1ccc(F)cc1OCc1ccccc1 38240935 FOYQTDKPDAJMPF-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA in-vitro Cc1nc(-c2ccccc2[N+](=O)[O-])cs1 85479273 CDIYPVIYTJKKOR-UHFFFAOYSA-N 220.253 3.027 5 50 BGBA O=c1[nH]c2ccccc2c2[nH]c3ccccc3c12 3944854 KHHVLPFHXHKOEJ-UHFFFAOYSA-N 234.258 3.163 5 50 BGBA CCCOc1cc([N+](=O)[O-])ccc1Cl 39329495 KPMHBSITSXZPAX-UHFFFAOYSA-N 215.636 3.037 5 50 BGBA in-vitro CCCCC(=O)Nc1cccc([N+](=O)[O-])c1C 2735166 SLKCISLSHQVJIZ-UHFFFAOYSA-N 236.271 3.032 5 50 BGBA COc1cc(O)cc2ccc3cccc(O)c3c12 3647376 LVOCAIKGDCMNNK-UHFFFAOYSA-N 240.258 3.413 5 50 BGBA biogenic,in-vitro O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)nc1 3880515 RZCLOVSIWHOQFI-UHFFFAOYSA-N 249.657 3.387 5 50 BGBA CC(C)Oc1cc(Cl)ccc1[N+](=O)[O-] 87543529 HCIBCEGQISKOTI-UHFFFAOYSA-N 215.636 3.035 5 50 BGBA O=[N+]([O-])c1cccc(CNC2CCCCCC2)c1 4891851 MNFNIGCTFAIZQF-UHFFFAOYSA-N 248.326 3.407 5 50 BGBA O=[N+]([O-])c1cccc(C(F)(F)F)c1Cl 33506511 TWABRHQBRWLSSE-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro O=[N+]([O-])c1ccc(NCc2ccccc2)cc1 4774764 QBSRKOBMKFOHOS-UHFFFAOYSA-N 228.251 3.207 5 50 BGBA O=[N+]([O-])c1ccccc1NCc1ccccc1 4293831 LAOUKNRSKBRAMQ-UHFFFAOYSA-N 228.251 3.207 5 50 BGBA Cc1c(-c2ccc(C=O)o2)ccc([N+](=O)[O-])c1C 67564 BZFQXRWKSKGWCB-UHFFFAOYSA-N 245.234 3.284 5 50 BGBA Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 113789 NNJAZKNRYIMHJV-UHFFFAOYSA-N 220.253 3.027 5 50 BGBA CCCCCOc1ccccc1[N+](=O)[O-] 1646576 YRVCISCRAMHCFP-UHFFFAOYSA-N 209.245 3.164 5 50 BGBA COc1ccccc1-c1ccccc1[N+](=O)[O-] 333785 LUAAEXWZEIXKHQ-UHFFFAOYSA-N 229.235 3.270 5 50 BGBA O=[N+]([O-])c1ccc(Cl)c2ccccc12 1756750 QLIOCENRPBJEPI-UHFFFAOYSA-N 207.616 3.401 5 50 BGBA in-vitro O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl 2551827 RSFJVCHKGRUCIC-UHFFFAOYSA-N 243.049 3.450 5 50 BGBA in-vitro O=[N+]([O-])c1c(F)cccc1OCc1ccccc1 54268890 ZWVIQNJOSOYTGL-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA O=[N+]([O-])c1cc(F)cc(OCc2ccccc2)c1 157903368 OCOUQAOYGUHIEI-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 80342 JYUWIOFDMMGBQI-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA O=[N+]([O-])c1ccccc1Nc1ccccc1F 4933950 AXWDMVVFIGPIKT-UHFFFAOYSA-N 232.214 3.478 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(/C=C/c2ccccn2)c1 3880730 NFTQPJVUAHNPTC-BQYQJAHWSA-N 226.235 3.160 5 50 BGBA CCCOc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 261493946 MJIDQCYHQQIWRU-UHFFFAOYSA-N 249.188 3.402 5 50 BGBA CC(C)CSc1cccc([N+](=O)[O-])c1 261493947 MJLNADPMWYULEP-UHFFFAOYSA-N 211.286 3.343 5 50 BGBA CCCCOc1cc(F)c(C)cc1[N+](=O)[O-] 261494478 YNAJLXIWYKMJHX-UHFFFAOYSA-N 227.235 3.221 5 50 BGBA CC(C)Oc1c(Cl)ccc([N+](=O)[O-])c1F 261494158 RGIMPACVOSTEFN-UHFFFAOYSA-N 233.626 3.175 5 50 BGBA O=[N+]([O-])c1cccc(CNc2cccc(F)c2)c1 279671 REMFZQOVIQUKOE-UHFFFAOYSA-N 246.241 3.346 5 50 BGBA O=Cc1cscc1-c1cscc1[N+](=O)[O-] 334043 HFYVZKGOKKJBOD-UHFFFAOYSA-N 239.277 3.197 5 50 BGBA Cc1cc([N+](=O)[O-])cc(Cl)c1-n1cccc1 1395197 XPCRKRTZVLAUJU-UHFFFAOYSA-N 236.658 3.347 5 50 BGBA O=[N+]([O-])c1cccc(Nc2ccccc2)c1 3878704 VNRHTFXMONFRSL-UHFFFAOYSA-N 214.224 3.338 5 50 BGBA C/C(=C\c1cccc2ccccc12)[N+](=O)[O-] 4984683 MMXWPLHUAYHYNT-MDZDMXLPSA-N 213.236 3.477 5 50 BGBA O=[N+]([O-])c1ccc2[nH]nc(-c3ccccc3)c2c1 233177 XTLYDYMVKAGVIN-UHFFFAOYSA-N 239.234 3.138 5 50 BGBA Cc1cc2c(ncn2C(C)C)c([N+](=O)[O-])c1C 4052383 RKSYVSMEVYYIAW-UHFFFAOYSA-N 233.271 3.142 5 50 BGBA CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 37754784 XXJHZLWVWOMYIF-UHFFFAOYSA-N 234.177 3.045 5 50 BGBA C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F 5587069 BXISFZHEFXOFHN-VIFPVBQESA-N 238.262 3.113 5 50 BGBA Cc1ccc2ccc3ccc(C)nc3c2n1 119332 IYRGXJIJGHOCFS-UHFFFAOYSA-N 208.264 3.400 5 50 BGBA biogenic,in-vitro Cc1noc(C)c1-c1ccc(F)c([N+](=O)[O-])c1 1857777706 QCGHPWFZTHFHCI-UHFFFAOYSA-N 236.202 3.006 5 50 BGBA COc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 8306542 QVCYQPIZAWIRIP-UHFFFAOYSA-N 245.234 3.396 5 50 BGBA Cc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 6276272 QRZXIWFKHXBUFD-UHFFFAOYSA-N 230.223 3.091 5 50 BGBA O=[N+]([O-])c1cccnc1-c1ccc(Cl)cc1 3883859 MRPFMKABLOJZPV-UHFFFAOYSA-N 234.642 3.310 5 50 BGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1 476516 JKPHXNBCWLDKOP-UHFFFAOYSA-N 248.282 3.032 5 50 BGBA O=c1c2ccccc2sc2ccc(O)cc12 5948598 ANHLDZMOXDYFMQ-UHFFFAOYSA-N 228.272 3.120 5 50 BGBA in-vitro O=[N+]([O-])c1ccc2onc(-c3ccccc3)c2c1 235525 UKYZYTJFGWFGHL-UHFFFAOYSA-N 240.218 3.403 5 50 BGBA CCCC[N@+]1(C)C[C@H]2CC=C(Cl)C[C@@H]2C1 239338765 LEPNHGPYAZHNQP-LALPHHSUSA-N 228.787 3.396 5 50 BGBA CCCCOc1c(C)cccc1[N+](=O)[O-] 85483693 ZLHFRHIXCITJOW-UHFFFAOYSA-N 209.245 3.082 5 50 BGBA in-vitro C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F 5587006 BXISFZHEFXOFHN-SECBINFHSA-N 238.262 3.113 5 50 BGBA Cc1cc(C(=O)O)c2c(ccc3ccccc32)n1 973337 DPYJYHUSSCOKLA-UHFFFAOYSA-N 237.258 3.395 5 50 BGBA O=[N+]([O-])c1cccc2cccc(Cl)c12 1690117 QOHQXCPALCHOID-UHFFFAOYSA-N 207.616 3.401 5 50 BGBA OCc1ccc2ccc3ccccc3c2c1 2023218 ZZQZUVCQAOXDCD-UHFFFAOYSA-N 208.260 3.485 5 50 BGBA O=[N+]([O-])c1ccc(F)c(-c2cccc(O)c2)c1 725269209 GGDAJOQZTJVTFX-UHFFFAOYSA-N 233.198 3.107 5 50 BGBA O=C(Nc1ccccc1[N+](=O)[O-])C1CCCCC1 5008127 ZQRLQNVLYQVGEF-UHFFFAOYSA-N 248.282 3.114 5 50 BGBA CC(C)Oc1cc(Cl)cc([N+](=O)[O-])c1F 261493556 DMXDSIHEPSUFOV-UHFFFAOYSA-N 233.626 3.175 5 50 BGBA Oc1ccc2cc3cc(O)ccc3cc2c1 39651475 JBBHFHMVEOHFRE-UHFFFAOYSA-N 210.232 3.404 5 50 BGBA in-vitro C[N+](C)(Cc1ccccc1)c1ccccc1 1706221 FFZVILRAPIUNAA-UHFFFAOYSA-N 212.316 3.454 5 50 BGBA in-vitro CC(C)SC(=O)Nc1cccc([N+](=O)[O-])c1 2164788 VJDHPRRDZOWJQC-UHFFFAOYSA-N 240.284 3.268 5 50 BGBA C[N+](C)(C)CC1(C2CCCC2)CCCC1 1775964775 BTTFDXCIKFCPDA-UHFFFAOYSA-N 210.385 3.443 5 50 BGBA O=[N+]([O-])c1ccc(OC(F)(F)F)cc1Cl 38813708 KUVUJRJQWFVOMY-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA in-vitro O=[N+]([O-])c1ccccc1CNc1ccccc1 292695 YQNDTDFMUIYCKX-UHFFFAOYSA-N 228.251 3.207 5 50 BGBA Cc1noc(/C=C/c2ccccc2)c1[N+](=O)[O-] 9235682 SDCPXLWJUGXAEK-BQYQJAHWSA-N 230.223 3.062 5 50 BGBA O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1 225426 OETQWIHJPIESQB-OWOJBTEDSA-N 241.246 3.471 5 50 BGBA biogenic COc1cc(C)c2c(c1)oc(=O)c1ccccc12 278217 PZNSYJYHWNRBBK-UHFFFAOYSA-N 240.258 3.263 5 50 BGBA biogenic CC(C)Oc1cc(Cl)cc([N+](=O)[O-])c1 238149834 BCMDYXPSPNICDB-UHFFFAOYSA-N 215.636 3.035 5 50 BGBA Cc1cc([N+](=O)[O-])c(Cl)cc1Cl 1698453 OTHIQMSDVAQZQM-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA CCCCCOc1ccc([N+](=O)[O-])cc1 2168726 ITRUYYFRYGZFBF-UHFFFAOYSA-N 209.245 3.164 5 50 BGBA in-vitro CC(C)Oc1cc([N+](=O)[O-])ccc1Cl 82046443 QKZLSNHQKFSBBJ-UHFFFAOYSA-N 215.636 3.035 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(COc2ccc(F)cc2)c1 472076 XCIRIDQSJARHBL-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA Nc1cccc(Sc2ccccc2)c1[N+](=O)[O-] 150007381 JDFGCWQJPMUGEK-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA O=[N+]([O-])c1cccc2c(Cl)cccc12 28294082 ASXDLWJNLAXOEA-UHFFFAOYSA-N 207.616 3.401 5 50 BGBA C[C@H](Nc1ncccc1[N+](=O)[O-])C1CCCCC1 52340996 XDEDBPUQIBJPLI-JTQLQIEISA-N 249.314 3.371 5 50 BGBA O=c1oc2ccc3ccccc3c2cc1S 213435282 ARSXOAWCKRYJMX-UHFFFAOYSA-N 228.272 3.235 5 50 BGBA O=[N+]([O-])c1cc(OC2CCCC2)ccc1F 261494112 QEEYQRJWODZPPS-UHFFFAOYSA-N 225.219 3.055 5 50 BGBA CCCCc1nc2cc([N+](=O)[O-])ccc2o1 2547880 QBDPKRMYTYRFBB-UHFFFAOYSA-N 220.228 3.079 5 50 BGBA in-vitro C[N+](C)(Cc1ccccc1)Cc1ccccc1 1555277 LNIYNESXCOYFPW-UHFFFAOYSA-N 226.343 3.463 5 50 BGBA Cc1cc(N2CCCCC2)c(F)cc1[N+](=O)[O-] 4004637 DMKUAHZWYFICLN-UHFFFAOYSA-N 238.262 3.033 5 50 BGBA O=[N+]([O-])c1cccc2c1ccc1cccn12 168182 BWDDZHBBEMLCOZ-UHFFFAOYSA-N 212.208 3.001 5 50 BGBA CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl 95829633 NRZAIWWKGAZYDY-UHFFFAOYSA-N 236.054 3.300 5 50 BGBA Cc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 345530 AIHPHIHMHMQFGD-UHFFFAOYSA-N 241.246 3.134 5 50 BGBA O=[N+]([O-])/C=C/c1ccc(-c2cccc(F)c2)o1 463332 PFYGTNSBCINXKS-VOTSOKGWSA-N 233.198 3.333 5 50 BGBA O=[N+]([O-])c1ccc(-n2cccc2)c(Cl)c1 4237601 OVRSDSHINPCDDM-UHFFFAOYSA-N 222.631 3.039 5 50 BGBA in-vitro CC(C)CSc1ccc([N+](=O)[O-])cc1 261494246 SQEMFSLSYFXXEW-UHFFFAOYSA-N 211.286 3.343 5 50 BGBA Cc1ccc2ccccc2c1C[N+](C)(C)C 3123870 WMBZBVZYOFUOCA-UHFFFAOYSA-N 214.332 3.354 5 50 BGBA O=[N+]([O-])c1cccc(Br)c1Cl 40448411 JNIDAGAFFKAPRV-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1 188622 QJPPXVVTXDVWAF-UHFFFAOYSA-N 239.234 3.138 5 50 BGBA CCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 20177435 AKLSDZQCGRHYNP-UHFFFAOYSA-N 235.161 3.012 5 50 BGBA in-vitro O=[N+]([O-])CCc1ccc(Nc2ccccc2)cc1 113990947 UVPJEUOCTBVBTO-UHFFFAOYSA-N 242.278 3.249 5 50 BGBA O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 3883622 MGHIIGWDUVNPPV-UHFFFAOYSA-N 227.219 3.074 5 50 BGBA in-vitro Cc1c(OCc2ccccc2)cccc1[N+](=O)[O-] 132954 PBSZHNXXFIYDBU-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA in-vitro O=[N+]([O-])c1c(Cl)cccc1C(F)(F)F 2564417 ZECBOHAXBNGMSP-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro NCc1c2ccccc2cc2ccccc12 13473102 MEQDVTFZLJSMPO-UHFFFAOYSA-N 207.276 3.452 5 50 BGBA O=[N+]([O-])c1ccc(COc2ccccc2)c(F)c1 44136719 GDXYMPLENYCKKC-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA Nc1c(N)c2ccccc2c2ccccc12 404345 VPRFQZSTJXHBHL-UHFFFAOYSA-N 208.264 3.157 5 50 BGBA O=[N+]([O-])c1ccc2nc(-c3cccs3)[nH]c2c1 8816801 HMNHLRCFIFTELE-UHFFFAOYSA-N 245.263 3.200 5 50 BGBA CCCCc1nc2ccc([N+](=O)[O-])cc2o1 2547878 ZEVHKNJYRVOCBY-UHFFFAOYSA-N 220.228 3.079 5 50 BGBA in-vitro CSC(C)(C)c1ccc([N+](=O)[O-])cc1 2141671 WTMRQRDRQTXCMD-UHFFFAOYSA-N 211.286 3.193 5 50 BGBA CSc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 197362033 ZKXZEUICDRWOGE-UHFFFAOYSA-N 237.202 3.336 5 50 BGBA CC(C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 261494108 QDDZJBYUGHKMHM-UHFFFAOYSA-N 249.188 3.401 5 50 BGBA O=C(O)c1cc2cc3ccccc3cc2cc1O 1718623 PHQKCVOZVPSTAF-UHFFFAOYSA-N 238.242 3.397 5 50 BGBA O=[N+]([O-])[C@@H]1CC=CC[C@H]1c1ccccc1Cl 44125900 PUVDDEGPZJEFLM-CMPLNLGQSA-N 237.686 3.419 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)OC1(CCCCC1)O2 86942 DGGQZKWSSUCGHQ-UHFFFAOYSA-N 235.239 3.026 5 50 BGBA O=[N+]([O-])c1cc(C2CCCCC2)ccc1O 19891484 YUQPJMAOUVWWOM-UHFFFAOYSA-N 221.256 3.348 5 50 BGBA O=[N+]([O-])c1cccc(OCc2ccccc2)c1F 150273072 PGUGKPZUAPCUOM-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA O=[N+]([O-])c1cc(C(F)(F)F)c(F)c(F)c1F 34610474 ZRJZQDMKRCVQHT-UHFFFAOYSA-N 245.078 3.031 5 50 BGBA O=[N+]([O-])c1cc(Cl)ccc1Br 163517 UKTIMFAJRPSNGR-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro CN(Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 4987075 NFRYQFGJLZEJLT-UHFFFAOYSA-N 248.326 3.359 5 50 BGBA O=c1oc2cc(O)c(Cl)cc2c2ccccc12 610730 RMVBXXJNOAXYHY-UHFFFAOYSA-N 246.649 3.305 5 50 BGBA biogenic CC(C)COc1cc([N+](=O)[O-])ccc1Cl 86453383 RKTYHMIBLKZUJP-UHFFFAOYSA-N 229.663 3.283 5 50 BGBA O=[N+]([O-])c1cccc(CN2CCCCCCC2)c1 2811111 HOQXKUASAYMXCB-UHFFFAOYSA-N 248.326 3.361 5 50 BGBA C[N+]1(Cc2ccc(Cl)cc2)CCCCC1 2027502 VXUGUJOZQYPLLJ-UHFFFAOYSA-N 224.755 3.471 5 50 BGBA Cc1cc(Cl)c2c([N+](=O)[O-])ccc(C)c2n1 1420951 ADJHRRYYNVYIGN-UHFFFAOYSA-N 236.658 3.413 5 50 BGBA O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1F 2568283 JVOKKJHIEVEFEB-UHFFFAOYSA-N 243.543 3.406 5 50 BGBA O=C(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 2392958 KWRIWTMLSQASGM-UHFFFAOYSA-N 241.246 3.020 5 50 BGBA C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 183582 MSZLTIUJRMFEAU-RISCZKNCSA-N 248.326 3.263 5 50 BGBA O=[N+]([O-])c1cc(Cc2ccncc2)ccc1Cl 5898703 XHXNNLKPICIXES-UHFFFAOYSA-N 248.669 3.234 5 50 BGBA O=[N+]([O-])c1cccc(CSc2ccncc2)c1 119325534 RCZUNQICNSIPBX-UHFFFAOYSA-N 246.291 3.282 5 50 BGBA O=[N+]([O-])c1cc(F)ccc1C1CCCC1 951727070 YFHSVDVVYCCGEX-UHFFFAOYSA-N 209.220 3.392 5 50 BGBA O=[N+]([O-])c1ccc(Sc2ccccn2)cc1 12961562 HOPZSPAIKGULRS-UHFFFAOYSA-N 232.264 3.141 5 50 BGBA C/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] 5411921 DTZVIBZSHDZFPP-NTMALXAHSA-N 213.236 3.477 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)CNc1ccccc1O2 4054639 GJLQJZJURLIBTR-UHFFFAOYSA-N 242.234 3.313 5 50 BGBA CC(C)Oc1c(F)cc([N+](=O)[O-])cc1Cl 261493451 BINUGVAZKMLBIF-UHFFFAOYSA-N 233.626 3.175 5 50 BGBA O=[N+]([O-])c1cc(Cl)ccc1C(F)(F)F 6092020 DDNRGAUZMIFKQS-UHFFFAOYSA-N 225.553 3.267 5 50 BGBA in-vitro COc1cc(-c2cccc([N+](=O)[O-])c2)ccc1F 85476960 SGSHXYXPTNASPN-UHFFFAOYSA-N 247.225 3.410 5 50 BGBA in-vitro Nc1c2ccccc2c([N+](=O)[O-])c2ccccc12 4773272 JYYCIMOUZMLUTP-UHFFFAOYSA-N 238.246 3.483 5 50 BGBA C[C@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 4891700 KRAUCKDHEBBZGX-SMDDNHRTSA-N 248.326 3.263 5 50 BGBA Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-] 5162526 AJGJUXSVUPXOHL-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA O=[N+]([O-])c1ccc(Cc2ccccc2)cc1 1627275 IDSGFSCSMXRJON-UHFFFAOYSA-N 213.236 3.186 5 50 BGBA in-vitro O=[N+]([O-])c1cccc(-c2cccc(F)c2)c1 80772480 BNFWFXBOZUJOLN-UHFFFAOYSA-N 217.199 3.401 5 50 BGBA in-vitro O=[N+]([O-])c1cc(C2CC2)ccc1Br 1857779341 HJAZCGVVYWSGPR-UHFFFAOYSA-N 242.072 3.235 5 50 BGBA C[N+]1(Cc2c[nH]c3ccccc23)CCCCC1 409718 ZFRNHNBQOHJINC-UHFFFAOYSA-N 229.347 3.298 5 50 BGBA O=[N+]([O-])c1ccc(Cl)cc1OC(F)(F)F 91692995 IGCJBPPURJRKDG-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA in-vitro C[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCCCC1 52340998 XDEDBPUQIBJPLI-SNVBAGLBSA-N 249.314 3.371 5 50 BGBA Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 132962 DGMVXGHRFDVQHC-UHFFFAOYSA-N 243.262 3.482 5 50 BGBA in-vitro O=[N+]([O-])c1cc(Cl)c2cccnc2c1Cl 584906739 GSQCTTWABNRYKJ-UHFFFAOYSA-N 243.049 3.450 5 50 BGBA O=[N+]([O-])/C(=C\c1ccccc1)c1ccccc1 164481 QIFBVYLHLLTNLI-KAMYIIQDSA-N 225.247 3.461 5 50 BGBA in-vitro Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 281558 HHTOMEBQNGDWDW-UHFFFAOYSA-N 241.246 3.134 5 50 BGBA Cc1ccc2c(ccc3nc(C)ccc32)n1 261987 CODTWXNXJPQQOB-UHFFFAOYSA-N 208.264 3.400 5 50 BGBA O=[N+]([O-])c1cc(Br)ccc1C1CC1 32563 USMHBCCEXSPEMM-UHFFFAOYSA-N 242.072 3.235 5 50 BGBA biogenic O=[N+]([O-])c1ccccc1/C=C/c1ccncc1 4708897 SXRUWBQSYQWBAF-AATRIKPKSA-N 226.235 3.160 5 50 BGBA Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 4535933 ONTZDECKXDXHIZ-UHFFFAOYSA-N 230.223 3.091 5 50 BGBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 285247 NXZZAYCXUXBWPA-UHFFFAOYSA-N 248.282 3.114 5 50 BGBA O=[N+]([O-])c1cc(F)c(Cl)cc1Cl 2577562 CIZHSFBFELYEGN-UHFFFAOYSA-N 209.991 3.041 5 50 BGBA in-vitro O=[N+]([O-])c1c(Cl)cccc1OC(F)(F)F 145056290 POSBFGDGZRACRZ-UHFFFAOYSA-N 241.552 3.147 5 50 BGBA COc1ccc2sc3ccccc3c(=O)c2c1 4693863 NOYRFDHEJYWIHG-UHFFFAOYSA-N 242.299 3.423 5 50 BGBA CCOc1cc([N+](=O)[O-])cc(Cl)c1OCC 261493904 LSJOGNFJDHVSCW-UHFFFAOYSA-N 245.662 3.046 5 50 BGBA O=[N+]([O-])c1ccc2c(c1)Cc1cc(F)ccc1-2 1081129 ZGVSZORIRFNOCF-UHFFFAOYSA-N 229.210 3.305 5 50 BGBA O=[N+]([O-])c1ccc2occ(C(F)(F)F)c2c1 96105269 PBHAMMPIQGIJKL-UHFFFAOYSA-N 231.129 3.360 5 50 BGBA O=[N+]([O-])c1ccc(CCNC2CCCCC2)cc1 2746020 PQZWWEGKFMAJDD-UHFFFAOYSA-N 248.326 3.060 5 50 BGBA COc1ccc2[nH]c3nc4ccccc4nc3c2c1 5687670 OGCCHUWNEPZFHP-UHFFFAOYSA-N 249.273 3.273 5 50 BGBA O=[N+]([O-])c1ccc(OCC2CC2)c(Cl)c1 123599873 WDIQESXNPJPEIF-UHFFFAOYSA-N 227.647 3.037 5 50 BGBA Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 27783 QOIWYTAGLVJORJ-UHFFFAOYSA-N 248.213 3.108 5 50 BGBA Cc1n[nH]c(C)c1Sc1ccc([N+](=O)[O-])cc1 127658 KLJQUYGMHVZGNP-UHFFFAOYSA-N 249.295 3.086 5 50 BGBA C[N+]1(C)[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 825093278 FABBMRJGNSLFHH-SYQHCUMBSA-N 208.369 3.194 5 50 BGBA O=Cc1sccc1-c1ccccc1[N+](=O)[O-] 334057 ZICJEZSPEBQEHB-UHFFFAOYSA-N 233.248 3.136 5 50 BGBA c1ccc2c(c1)ccc1c3c(nnc12)CCC3 336801 UHLITTSJPAICQC-UHFFFAOYSA-N 220.275 3.272 5 50 BGBA CCCOc1cc([N+](=O)[O-])cc(Cl)c1OC 261493924 LZOSGFDZXVZRGG-UHFFFAOYSA-N 245.662 3.046 5 50 BGBA CC(C)CNc1c([N+](=O)[O-])cnc2ccccc12 21986080 CDUWBBGUDMBQDE-UHFFFAOYSA-N 245.282 3.211 5 50 BGBA Cc1ccc2[nH]c3c(ccc4cnc(O)nc43)c2c1 498049314 LYVDKMWQKZIULJ-UHFFFAOYSA-N 249.273 3.278 5 50 BGBA O=[N+]([O-])c1cc(OCc2ccccc2)ccc1F 8764162 FWBDUAPLKFBELK-UHFFFAOYSA-N 247.225 3.313 5 50 BGBA in-vitro Cc1cc(=O)oc2c1ccc1ccccc12 620698 UPMCEGGVPZVZHL-UHFFFAOYSA-N 210.232 3.255 5 50 BGBA CCN(CC)c1ccc(Cl)cc1[N+](=O)[O-] 4949330 LCSTZXUBWSUNSH-UHFFFAOYSA-N 228.679 3.094 5 50 BGBA O=[N+]([O-])c1ccc(Cl)cc1Br 21303469 VFMAPIFSXMBTQP-UHFFFAOYSA-N 236.452 3.011 5 50 BGBA in-vitro O=[N+]([O-])C1(Cc2ccccc2)CCCCC1 6885083 WVSHYKLHCOIXOK-UHFFFAOYSA-N 219.284 3.209 5 50 BGBA CC(C)Oc1ccc(Cl)cc1[N+](=O)[O-] 466705 FGSGMBIVNABSCY-UHFFFAOYSA-N 215.636 3.035 5 50 BGBA Cc1nn2c3ccccc3nc2c2ccccc12 561784 AUJZOGHAURBEIC-UHFFFAOYSA-N 233.274 3.344 5 50 BGBA O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)cc1 1512339 TVNHSLVVOOKWHG-UHFFFAOYSA-N 239.234 3.138 5 50 BGBA CCCN(CCC)c1ccc(F)cc1[N+](=O)[O-] 238791146 CQYUBHNUQUQGBE-UHFFFAOYSA-N 240.278 3.360 5 50 BGBA O=[N+]([O-])c1ccc([C@@H](F)C(F)(F)F)cc1 616583109 WSHVLTKODGVLOL-SSDOTTSWSA-N 223.125 3.168 5 50 BGBA O=[N+]([O-])c1ccsc1-c1ccccc1 66054594 MOMYURHNCLKYIA-UHFFFAOYSA-N 205.238 3.323 5 50 BGBA O=[N+]([O-])c1cccc(Oc2ccccc2)c1 1667490 MEYCCIQOLYYNLD-UHFFFAOYSA-N 215.208 3.387 5 50 BGBA Cc1c(Br)cc([N+](=O)[O-])c(C)c1C 3122469 AUZSJFQNDQMUFT-UHFFFAOYSA-N 244.088 3.283 5 50 BGBA O=[N+]([O-])c1cc(Br)cc(C2CC2)c1 1857782521 RSJITMPVOONGDS-UHFFFAOYSA-N 242.072 3.235 5 50 BGBA O=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1 4244713 AIZKHORWEJERNY-UHFFFAOYSA-N 240.690 3.239 5 50 BGBA O=[N+]([O-])c1cc(F)ccc1Oc1cccc(O)c1 37674660 SWDCLESJGWEPNE-UHFFFAOYSA-N 249.197 3.232 5 50 BGBA CC(C)COc1ccc(Cl)c([N+](=O)[O-])c1 261493508 CMFRIPJTLLAJPC-UHFFFAOYSA-N 229.663 3.283 5 50 BGBA O=[N+]([O-])c1ccccc1NCCc1ccccc1 4687470 ROBBUBPDMDQMGG-UHFFFAOYSA-N 242.278 3.249 5 50 BGBA Cc1cc([N+](=O)[O-])cc(Cl)c1Cl 32301932 WIHGUGAVEICYKF-UHFFFAOYSA-N 206.028 3.210 5 50 BGBA in-vitro O=Cc1sccc1-c1ccsc1[N+](=O)[O-] 334042 HTSRFKBDQMNEFU-UHFFFAOYSA-N 239.277 3.197 5 50 BGBA C[N+](C)(C)CCc1cc(Cl)sc1Cl 1857784214 QBFIKTAKBMYYLQ-UHFFFAOYSA-N 239.191 3.304 5 50 BGBA CC(C)Oc1cc([N+](=O)[O-])cc(Cl)c1F 261494035 OGIJQEBFQBMDOZ-UHFFFAOYSA-N 233.626 3.175 5 50 BGBA Cc1cccc2c1[nH]c(=O)c1c3ccccc3[nH]c21 4086135 VVNLUKDSMGSRTB-UHFFFAOYSA-N 248.285 3.471 5 50 BGBA O=[N+]([O-])c1c(Cl)ccc2nc(Cl)ccc12 40448734 RYXCRTPDGCOPAP-UHFFFAOYSA-N 243.049 3.450 5 50 BGBA Nc1ccccc1Sc1ccccc1[N+](=O)[O-] 79174 QREMWHOIUTWWSC-UHFFFAOYSA-N 246.291 3.328 5 50 BGBA in-vitro C=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 143031470 NSVXCXGPBBCMLN-UHFFFAOYSA-N 217.146 3.257 5 50 BGBA C[N+]1(C)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 825093268 FABBMRJGNSLFHH-AAVRWANBSA-N 208.369 3.194 5 50 BGBA