smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c2c(c3cc([N+](=O)[O-])ccc31)CCCC2=O 97307 ARTCEVYMLHRHQS-UHFFFAOYSA-N 244.250 2.606 5 50 BFBA Cc1nn(Cc2ccccc2F)c(C)c1[N+](=O)[O-] 2385013 MMXOPRHOQAEZJP-UHFFFAOYSA-N 249.245 2.596 5 50 BFBA O=[N+]([O-])c1ccc(OC(F)F)c(Cl)c1 3263993 DRDNYKQKDUMFOX-UHFFFAOYSA-N 223.562 2.850 5 50 BFBA in-vitro Cc1noc(C)c1-c1cccc([N+](=O)[O-])c1 859066 SVYXGIQNGFCMOT-UHFFFAOYSA-N 218.212 2.867 5 50 BFBA O=[N+]([O-])c1cccc(C2O[C@@H]3CCCC[C@H]3O2)c1 30836428 FBLGHFGQOUTXPP-VXGBXAGGSA-N 249.266 2.951 5 50 BFBA CC1(C)CCC(Br)([N+](=O)[O-])CC1 958528173 KQMDMOICFFCZNT-UHFFFAOYSA-N 236.109 2.955 5 50 BFBA Cc1ccc(-n2cccc2C=O)c([N+](=O)[O-])c1 165838 UQPLLQQLQYZFNX-UHFFFAOYSA-N 230.223 2.506 5 50 BFBA in-vitro O=c1c2ccccc2oc2cc(O)ccc12 4343981 XCJHDJAODLKGLG-UHFFFAOYSA-N 212.204 2.652 5 50 BFBA biogenic,in-vitro O=[N+]([O-])c1cc(F)c(Br)cc1F 160132 GJFYMYJYPARISZ-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA biogenic,in-vitro CC[C@@H]1CCNc2cc([N+](=O)[O-])ccc21 687760953 QYVLPVAOMULIQK-MRVPVSSYSA-N 206.245 2.904 5 50 BFBA O=C(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 34327172 VMOPTVOBYACSJN-UHFFFAOYSA-N 245.209 2.965 5 50 BFBA in-vitro Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 66323197 OKKXWBAMGISRSR-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro O=[N+]([O-])[C@H]1CC=C[C@H](c2ccccc2)C1 44123148 BYRPHJMHUKSHSP-RYUDHWBXSA-N 203.241 2.766 5 50 BFBA CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1Cl 196890122 LZCVKECKXFHTKA-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 3130692 OLLUNZWUZPGEFP-QMMMGPOBSA-N 249.270 2.515 5 50 BFBA COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 97756919 LJGDJYBBRMJZPV-UHFFFAOYSA-N 237.255 2.679 5 50 BFBA O=[N+]([O-])c1cccc2nc(Cl)nc(Cl)c12 129317117 GFQCKTKCUQZSOG-UHFFFAOYSA-N 244.037 2.845 5 50 BFBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 3851668 GMGQGZYFQSCZCW-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA biogenic,in-vitro O=[N+]([O-])c1ccc(NCc2ccccn2)cc1 21518120 DOXSTQPPQQKJNG-UHFFFAOYSA-N 229.239 2.602 5 50 BFBA in-vitro CCc1nc2cc([N+](=O)[O-])cc(C)c2o1 95117373 PMQONDGUURDUHY-UHFFFAOYSA-N 206.201 2.607 5 50 BFBA CCOC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 242831 LTXOWMPFTGLIHE-UHFFFAOYSA-N 244.634 2.817 5 50 BFBA O=[N+]([O-])c1ccc(C2Nc3ccccc3N2)o1 189810 BEQFKKAQYHNBKZ-UHFFFAOYSA-N 231.211 2.724 5 50 BFBA CCC(CC)NC(=O)c1ccc([N+](=O)[O-])cc1 441151 WOHZJRQVAVVUCE-UHFFFAOYSA-N 236.271 2.513 5 50 BFBA Cc1cc(F)c(Br)cc1[N+](=O)[O-] 2525794 MTTNTJRJOFVWSY-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro CCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4794263 METNXVRECIASDM-UHFFFAOYSA-N 242.662 2.987 5 50 BFBA O=[N+]([O-])c1ccc(OC2CCCCC2)nc1F 261493460 BMSPEDYDFNAWHJ-UHFFFAOYSA-N 240.234 2.840 5 50 BFBA CCOc1c(F)cc([N+](=O)[O-])c(C)c1F 261493702 HMLAPXMLHVYSLT-UHFFFAOYSA-N 217.171 2.580 5 50 BFBA COc1c(Cl)cc([N+](=O)[O-])cc1Cl 1750320 GJYVJKPFYCKNEC-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA in-vitro C[N+]1(C[C@@H]2Cc3ccccc3O2)CCCCC1 1827425 ZCSROUJWCCQTFA-AWEZNQCLSA-N 232.347 2.621 5 50 BFBA COc1ccc([N+](=O)[O-])c(Cl)c1Cl 34124589 JXWUMFLJRZJKAZ-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA COc1c(C)cc(Br)cc1[N+](=O)[O-] 85477248 ICHDLQVHXMFPAM-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA in-vitro O=Cc1ccc(-c2ccncc2F)c([N+](=O)[O-])c1 725242673 SXKIEGYENWAQSP-UHFFFAOYSA-N 246.197 2.608 5 50 BFBA O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)cc1 37975307 FTMOQOCAFHGRSK-UHFFFAOYSA-N 245.234 2.879 5 50 BFBA Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])c(F)cc1-2 3199720 GDFGKVZMCWYSEV-UHFFFAOYSA-N 244.225 2.887 5 50 BFBA O=[N+]([O-])c1ccc(N[C@H]2CCCOCC2)cc1 86871801 HZGHVDOOZXXHKB-JTQLQIEISA-N 236.271 2.576 5 50 BFBA CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2765391 ZJLMTMVURWJAMM-RMKNXTFCSA-N 248.282 2.524 5 50 BFBA CCOc1ccc(Cl)cc1/C=C/[N+](=O)[O-] 460592 ZTYPLSGMANYUGH-AATRIKPKSA-N 227.647 2.986 5 50 BFBA CSc1cc(Cl)ccc1[N+](=O)[O-] 2510172 UGEHZDRDLBACDW-UHFFFAOYSA-N 203.650 2.970 5 50 BFBA in-vitro CCOc1cc(Br)ccc1[N+](=O)[O-] 34581478 SVFZXFVVGNPTEF-UHFFFAOYSA-N 246.060 2.756 5 50 BFBA in-vitro CCOc1ccc([N+](=O)[O-])cc1Br 40571691 DAJMJBJIPXARBJ-UHFFFAOYSA-N 246.060 2.756 5 50 BFBA in-vitro Cc1cc(Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 3163474 YWHZVVJSMFUHIR-UHFFFAOYSA-N 237.646 2.742 5 50 BFBA O=[N+]([O-])c1cc(F)ccc1N1CCC(F)(F)C1 169725309 XHCXIRNWBATDPA-UHFFFAOYSA-N 246.188 2.579 5 50 BFBA Cc1c([N+](=O)[O-])ccc(Br)c1F 96032770 MGDMRVLZYULUGU-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1 3877772 SGPLAXFUDTWHRS-UHFFFAOYSA-N 206.245 2.585 5 50 BFBA in-vitro O=[N+]([O-])c1cnccc1-c1ccccc1 14983382 GBBDSKNQVRTSDL-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA in-vitro CCCNc1c([N+](=O)[O-])ccc(F)c1F 53162657 XBXQEKYLSBPCDV-UHFFFAOYSA-N 216.187 2.695 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1C(F)F 263624244 OQJWRDUYUCDZCP-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA O=[N+]([O-])c1cc(Cl)c2cccnc2c1O 122144 YMZCBKSIFLQQEM-UHFFFAOYSA-N 224.603 2.502 5 50 BFBA Cc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1 475533 CZIBRHCMICUQQX-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4614097 AERXHLGIHRIHJW-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA Cc1cc([N+](=O)[O-])c(Br)s1 16697084 WVRAXKINGAIWLD-UHFFFAOYSA-N 222.063 2.727 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])cc(Br)c1F 34521793 XDCQFNXIWGZLMX-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA COc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 16159248 KNGJUZQUCHGDDY-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA C[C@H]1CC(C)(C)C[C@@]1(Br)[N+](=O)[O-] 958528101 JNOYXMSCJOJZJV-POYBYMJQSA-N 236.109 2.810 5 50 BFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC=CCC1 284002 ZFAIKPNQWLSOCM-SNVBAGLBSA-N 246.266 2.890 5 50 BFBA O=C(O)c1ccc2oc3ccccc3c(=O)c2c1 4369421 JNPRWSKMJDGYAN-UHFFFAOYSA-N 240.214 2.644 5 50 BFBA O=[N+]([O-])c1cccc(C(F)(F)F)c1F 16159326 PGKWPKDZNHZBQK-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro Cc1cc(C)c2c(=O)c3ccccc3[nH]c2n1 12341286 CJQMYEHMTXOARC-UHFFFAOYSA-N 224.263 2.693 5 50 BFBA O=[N+]([O-])c1ccc(N2CCCC2)cc1NC1CC1 4035880 KEDCFLQUPOQSMN-UHFFFAOYSA-N 247.298 2.769 5 50 BFBA O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2CO 23114712 ASUDFRIQMUWKAH-UHFFFAOYSA-N 242.234 2.653 5 50 BFBA Cc1cc(Cl)c(O)c([N+](=O)[O-])c1C 36532891 LMTRWXYYWXXVHD-UHFFFAOYSA-N 201.609 2.571 5 50 BFBA O=C(O)c1cc2cc([N+](=O)[O-])ccc2s1 161939 ZGSMHACHDULBBY-UHFFFAOYSA-N 223.209 2.508 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(CN2CCCCCC2)cc1 239350 AORADOSMPZNEAL-UHFFFAOYSA-N 234.299 2.971 5 50 BFBA COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 56554 MAAFHLOZHBKYTG-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Cl)c2oc(S)nc2c1 1614949573 JYGDBUTWTYPNII-UHFFFAOYSA-N 230.632 2.678 5 50 BFBA CC(C)(C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 7781504 KYPMVLKLTRSNTQ-UHFFFAOYSA-N 247.254 2.942 5 50 BFBA in-vitro O=[N+]([O-])c1c(Cl)ccc(O)c1Cl 12359093 GLNRZGZHZYONRE-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Cl)cc2cccnc12 11535639 LLXHVCBOOWNXPV-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA O=[N+]([O-])C1(Br)CCC(F)(F)CC1 958527662 CSJHGWYNDSEOJV-UHFFFAOYSA-N 244.035 2.564 5 50 BFBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1F 56533 HLDFCCHSOZWKAA-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA CCCSc1ccc(N)c([N+](=O)[O-])c1 4063549 LFZBJSIIHWNZAW-UHFFFAOYSA-N 212.274 2.679 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)ccc1CNC1CCCC1 83365543 ZYVQPPMRBHEIBI-UHFFFAOYSA-N 238.262 2.766 5 50 BFBA CCCCN(C)Cc1ccc(O)c([N+](=O)[O-])c1 16662670 FFCIFZQKZCQDAQ-UHFFFAOYSA-N 238.287 2.532 5 50 BFBA O=[N+]([O-])c1ccc(-c2cn3c(n2)SCC3)cc1 107308 BIJNJGZDLCJHOJ-UHFFFAOYSA-N 247.279 2.564 5 50 BFBA O=[N+]([O-])c1ccccc1NCc1cccnc1 21509790 UNXVCQNTZLLICF-UHFFFAOYSA-N 229.239 2.602 5 50 BFBA COc1ccc([N+](=O)[O-])c(F)c1OCC(C)C 261493635 GGKSDWGOYPNYKZ-UHFFFAOYSA-N 243.234 2.777 5 50 BFBA O=[N+]([O-])c1ccc(Oc2cccc(F)c2)nc1 58558607 KCTOTRWSIARZRE-UHFFFAOYSA-N 234.186 2.921 5 50 BFBA O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1 93334 CCUGBHTWDHSEOA-UHFFFAOYSA-N 234.186 2.921 5 50 BFBA C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] 279134 MNUHWTZVEWRRBU-NSHDSACASA-N 234.299 2.969 5 50 BFBA O=[N+]([O-])c1ccc(Cl)c(N2CCCC2)c1 36164 RJXLUPFQQSKLLB-UHFFFAOYSA-N 226.663 2.848 5 50 BFBA COc1ccc([N+](=O)[O-])cc1-c1ccc(C=O)o1 454847 WQLWDQQLLKOINC-UHFFFAOYSA-N 247.206 2.676 5 50 BFBA O=[N+]([O-])c1cc(Cl)c(C(F)(F)F)cc1O 115054898 XGTINBMIZOAJTR-UHFFFAOYSA-N 241.552 2.973 5 50 BFBA in-vitro O=[N+]([O-])c1c(F)cc(F)cc1C(F)(F)F 263624935 VHTFQIJWCHEYEX-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA Cc1cnc(CNc2ccc([N+](=O)[O-])c(C)c2)[nH]1 585132571 ALLAHINQDIDKOQ-UHFFFAOYSA-N 246.270 2.547 5 50 BFBA CC(=O)Nc1ccc2ccccc2c1[N+](=O)[O-] 4416533 ZDOWETIOQWADNW-UHFFFAOYSA-N 230.223 2.706 5 50 BFBA Cc1cc([N+](=O)[O-])c(Br)cc1F 74937709 TVQLPBXVLOYFQS-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro CNc1cc(Br)cc(F)c1[N+](=O)[O-] 80441695 KIXQETVBXAMCLX-UHFFFAOYSA-N 249.039 2.538 5 50 BFBA in-vitro O=C1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 77327643 XFZRVESZXNYATJ-SNVBAGLBSA-N 219.240 2.822 5 50 BFBA COc1ccnc2c1ccc1c(OC)ccnc12 38915786 ZPGVCQYKXIQWTP-UHFFFAOYSA-N 240.262 2.800 5 50 BFBA C[N@@+]1(Cc2ccccc2)C[C@@H]2CC(=O)C[C@@H](C2)C1 242592182 OLHVHZNBHXEFMT-QLPKVWCKSA-N 244.358 2.632 5 50 BFBA CCCCN(C)Cc1ccc([N+](=O)[O-])cc1 2489758 RQHPJZYVMMBAOQ-UHFFFAOYSA-N 222.288 2.827 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccccc2)nc1 2599024 WJOAJTWVYTULDB-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA in-vitro O=C(O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 3319047 QKFNYXRBTKWJQW-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(Cl)cc1N1CCCC1 4118970 NPIPVCGYGYIXQG-UHFFFAOYSA-N 226.663 2.848 5 50 BFBA CC(C)(C)OC(=O)c1cccc([N+](=O)[O-])c1 2576778 SFFFYEGVQDWTNQ-UHFFFAOYSA-N 223.228 2.550 5 50 BFBA in-vitro CCc1ccc(Br)cc1[N+](=O)[O-] 5224804 YFEUEACCUDZRPY-UHFFFAOYSA-N 230.061 2.920 5 50 BFBA O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)nc1 92553 WGCAKTXIGRVECX-UHFFFAOYSA-N 234.186 2.921 5 50 BFBA CC(C)(Cc1c[nH]c2ccccc12)[N+](=O)[O-] 22010748 OCYGHQRIKVNSLX-UHFFFAOYSA-N 218.256 2.766 5 50 BFBA O=[N+]([O-])c1cc(SC(F)(F)F)ccc1O 15442393 NOMKRMHMFZTWBR-UHFFFAOYSA-N 239.174 2.912 5 50 BFBA CC(C)(C)OC(=O)Nc1ccccc1[N+](=O)[O-] 4106842 JTJFEWDXNKYBOE-UHFFFAOYSA-N 238.243 2.942 5 50 BFBA Cc1cc(N2CCC3(CC3)C2)ccc1[N+](=O)[O-] 588040936 YMXWZUFSTYUAQM-UHFFFAOYSA-N 232.283 2.894 5 50 BFBA Cc1cc(O)cc2oc(=O)c3ccccc3c12 134002 YOSKCVRHHOWKLT-UHFFFAOYSA-N 226.231 2.960 5 50 BFBA c1cc2c(ccc3nsnc32)c2nsnc12 196576433 VHHDKHOBNKXVNU-UHFFFAOYSA-N 244.304 2.849 5 50 BFBA in-vitro Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 261986 IJMROTSXJSMTPW-UHFFFAOYSA-N 226.235 2.748 5 50 BFBA in-vitro O=Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 3844824 UDZBIAFPVQJADQ-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA biogenic,in-vitro CC(=O)Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 4127814 WCTDZRQSAFHKAD-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 4776692 NDTSJJRJPBJYET-UHFFFAOYSA-N 237.259 2.516 5 50 BFBA COc1ccc([N+](=O)[O-])c2ccccc12 1692490 YFJKGPRYPHFGQD-UHFFFAOYSA-N 203.197 2.757 5 50 BFBA Cc1ccc(NC(=O)C(C)(C)C)c([N+](=O)[O-])c1 4041147 NIMRVCUQVJNERY-UHFFFAOYSA-N 236.271 2.888 5 50 BFBA CC(C)[N+](C)(C)CCCC[N+](C)(C)C(C)C 1775964912 LGBHWIMQSSZMQQ-UHFFFAOYSA-N 230.440 2.736 5 50 BFBA CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1577732 NJBDTWSOYUZQPM-UHFFFAOYSA-N 240.215 2.506 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1F 34610472 SEVUDOJHWVTRRK-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA in-vitro C[C@H]1C[C@H](C)CC(Br)([N+](=O)[O-])C1 958528505 PGESZJYBNYZQLK-BQBZGAKWSA-N 236.109 2.810 5 50 BFBA O=[N+]([O-])c1ccc2ccc([N+](=O)[O-])cc2c1 2168662 AFDWAIQLYHEUIW-UHFFFAOYSA-N 218.168 2.656 5 50 BFBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl 16769914 DRPIKFKCAJGTJF-UHFFFAOYSA-N 226.541 2.662 5 50 BFBA in-vitro Oc1ncc2ccc3c4ccccc4[nH]c3c2n1 498049493 WNDQHLCIQKJBQF-UHFFFAOYSA-N 235.246 2.970 5 50 BFBA O=[N+]([O-])/C=C/c1c[nH]c2ccc(F)cc12 2508154 RFGJWSVNMVSDEH-ONEGZZNKSA-N 206.176 2.554 5 50 BFBA O=[N+]([O-])c1cccc(Cl)c1CNC1CC1 82582682 AKRJNRKBTXLLCK-UHFFFAOYSA-N 226.663 2.500 5 50 BFBA O=[N+]([O-])c1c(F)cccc1N1CCC(F)(F)C1 169725317 VSIGPCRMUUKOOF-UHFFFAOYSA-N 246.188 2.579 5 50 BFBA CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4004778 QUDBEBFQYDWSTJ-UHFFFAOYSA-N 220.272 2.831 5 50 BFBA Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@@H](C)C2)n1 408171368 IJGTYQZETBLTHN-AOOOYVTPSA-N 249.314 2.699 5 50 BFBA CN1CN(C)c2ccc([N+](=O)[O-])c3cccc1c23 4036464 SCPRJXKNFHBUKU-UHFFFAOYSA-N 243.266 2.592 5 50 BFBA COc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 1512456 ZXJNASYUWVEBAH-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA in-vitro CC(C)COc1ncc([N+](=O)[O-])cc1Cl 261493423 ARWHBBXBQCQOGN-UHFFFAOYSA-N 230.651 2.678 5 50 BFBA O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1 486584 PNBOBRKDXRJMTL-UHFFFAOYSA-N 243.218 2.814 5 50 BFBA C[n+]1ccc(/C=C\c2cccc([N+](=O)[O-])c2)cc1 33302092 XLXQZNQBRUMMPI-WAYWQWQTSA-N 241.270 2.590 5 50 BFBA CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 38537049 WRRZRQYMFZIGHF-UHFFFAOYSA-N 233.227 2.597 5 50 BFBA in-vitro O=C1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 186473 LMGBOPXIUNFOKK-UHFFFAOYSA-N 230.223 2.595 5 50 BFBA O=[N+]([O-])c1ccccc1N[C@H]1CCCOCC1 86871750 YGWDTZHHUBHGNN-JTQLQIEISA-N 236.271 2.576 5 50 BFBA COc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 9310757 MCJZTHHFGVJLIB-UHFFFAOYSA-N 246.222 2.791 5 50 BFBA O=[N+]([O-])c1cc(F)c(Br)c(F)c1 2541526 HSGXHVJMWNQYIL-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA CCN(CC)c1ccc([N+](=O)[O-])cc1F 95218049 FPVHBAPCTSCZKR-UHFFFAOYSA-N 212.224 2.580 5 50 BFBA in-vitro Cc1ccc([N+](=O)[O-])cc1-c1ccc(CO)o1 4290835 RXBXSSYGWFGXLX-UHFFFAOYSA-N 233.223 2.656 5 50 BFBA O=[N+]([O-])c1cccc2c(N3CCCC3)ccnc12 4703668 IDNLDKVZUUKPKO-UHFFFAOYSA-N 243.266 2.743 5 50 BFBA O=N[C@]1(c2ccccc2)CCCC[C@@H]1[N+](=O)[O-] 4797101 SIZLMMPQQONKDM-RYUDHWBXSA-N 234.255 2.868 5 50 BFBA O=C(O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1 47212062 BIVASMLLEKRCTH-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA CC[C@H]1CCNc2cc([N+](=O)[O-])ccc21 687760954 QYVLPVAOMULIQK-QMMMGPOBSA-N 206.245 2.904 5 50 BFBA Cc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 374480 QXGLKZYDQBENSM-UHFFFAOYSA-N 245.282 2.765 5 50 BFBA O=[N+]([O-])c1ccc(F)c(OCC(F)(F)F)c1 261493601 FNNWUZQEYCAEPC-UHFFFAOYSA-N 239.124 2.675 5 50 BFBA O=[N+]([O-])c1ccc(F)c(-c2cscn2)c1 669380233 KAACSZXSZJASNI-UHFFFAOYSA-N 224.216 2.857 5 50 BFBA O=[N+]([O-])c1ccc2nccc(Cl)c2c1 282780 FLKFKUSJAFUYDU-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro COc1cc([N+](=O)[O-])ccc1N1CCCCC1 4347795 LLZSTLUJAGNBQV-UHFFFAOYSA-N 236.271 2.594 5 50 BFBA O=[N+]([O-])c1cccc([C@@H]2O[C@H]3CCCC[C@H]3O2)c1 253388683 FBLGHFGQOUTXPP-ITGUQSILSA-N 249.266 2.951 5 50 BFBA COC(=O)Oc1cc([N+](=O)[O-])c(F)cc1Cl 4107731 BTQIJXHWQVDZJL-UHFFFAOYSA-N 249.581 2.533 5 50 BFBA CC(C)(N)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1857780859 WELGYVVUXOUBSI-UHFFFAOYSA-N 248.204 2.807 5 50 BFBA O=[N+]([O-])c1ccccc1/C=C\[n+]1ccccc1 39944328 HBOUXHZURMADTR-FLIBITNWSA-N 227.243 2.510 5 50 BFBA CCC1(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 296198548 FEWRBMYABMHLCP-UHFFFAOYSA-N 221.260 2.653 5 50 BFBA O=Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1 373996 MFAGBUACEBDADX-UHFFFAOYSA-N 247.206 2.579 5 50 BFBA C[N+]1([C@H]2CC[C@H]3CCC[C@H]2[C@@H]3O)CCCCC1 169691950 IMXNJBZKYVFTKA-APIJFGDWSA-N 238.395 2.557 5 50 BFBA CC(=O)c1cc(Br)cc([N+](=O)[O-])c1 5167535 KMNMBNPBERMCLJ-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA Nc1ccc(Sc2ncccc2[N+](=O)[O-])cc1 5799269 QJGIBVJTRZNORT-UHFFFAOYSA-N 247.279 2.723 5 50 BFBA COc1cc(-c2ccc([N+](=O)[O-])cc2)ccn1 725242639 PMOKGBCNMGTJMV-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA CCC[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 1396299 QURBJKKJAXCORK-JTQLQIEISA-N 223.228 2.563 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)OC(C)C 4794808 PVMCVZMFGYHWLU-UHFFFAOYSA-N 238.243 2.860 5 50 BFBA O=[N+]([O-])c1cc(F)ccc1N1CCCCC1 4244794 YSBDMNNCMGUEAL-UHFFFAOYSA-N 224.235 2.724 5 50 BFBA in-vitro C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 2041380 XSBSKEQEUFOSDD-UHFFFAOYSA-N 240.435 2.638 5 50 BFBA world CCOC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4794702 QAJJSYFAQSJGDP-UHFFFAOYSA-N 244.634 2.817 5 50 BFBA CCOc1cc(OCC)c([N+](=O)[O-])cc1F 40571646 UGBSFXMSOVYLCM-UHFFFAOYSA-N 229.207 2.531 5 50 BFBA O=[N+]([O-])c1ccc2[nH]cc(CN3CCCC3)c2c1 95763096 CBLKOOHEMGHOAA-UHFFFAOYSA-N 245.282 2.672 5 50 BFBA O=[N+]([O-])c1ccc(/C=C/c2ccncn2)s1 170593854 HIOQOJUJLHKJOU-OWOJBTEDSA-N 233.252 2.617 5 50 BFBA O=Cc1ccc2ccccc2c1[N+](=O)[O-] 5019644 XQIMHJNMEFIADP-UHFFFAOYSA-N 201.181 2.561 5 50 BFBA in-vitro Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1C(=O)O 1643771 CKBRWDHHPCOFSU-UHFFFAOYSA-N 223.228 2.527 5 50 BFBA biogenic O=[N+]([O-])c1cccc(Cl)c1C[n+]1ccccc1 2165333 ZHHJRMGUGTYQQW-UHFFFAOYSA-N 249.677 2.584 5 50 BFBA CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4819001 KVHJDSGIKFSVJL-UHFFFAOYSA-N 238.262 2.970 5 50 BFBA C=CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 45071251 GUOZDUODMAYTRQ-UHFFFAOYSA-N 226.213 2.739 5 50 BFBA CC(C)CC(=O)c1cccc([N+](=O)[O-])c1 49813704 UCYAAGQRJQBBSU-UHFFFAOYSA-N 207.229 2.824 5 50 BFBA CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1C 224079820 AVGUCGKDNJKALT-UHFFFAOYSA-N 228.635 2.515 5 50 BFBA Cc1cccc([N+](=O)[O-])c1OCC(C)C 85477204 QBHOKOHUXFZOLU-UHFFFAOYSA-N 209.245 2.938 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(CNC2CCCC2)cc1 4744022 SBJOXANGVLVJFT-UHFFFAOYSA-N 220.272 2.627 5 50 BFBA in-vitro Cc1cc(C)c(Br)c([N+](=O)[O-])c1 22014124 LOWKZDXVWHSOMU-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1Oc1ccnc(N)c1 59821985 ZZTYDAVBBQOEOR-UHFFFAOYSA-N 245.238 2.673 5 50 BFBA CCC(CC)NC(=O)c1ccccc1[N+](=O)[O-] 456010 LPZVOGCLZFGBPT-UHFFFAOYSA-N 236.271 2.513 5 50 BFBA CCCOc1ccc([N+](=O)[O-])c(F)c1F 261494366 VVLDRPFWNIHWPY-UHFFFAOYSA-N 217.171 2.662 5 50 BFBA COc1cc(C)c(Cl)cc1[N+](=O)[O-] 2386203 NYKGERLHQSWZHA-UHFFFAOYSA-N 201.609 2.565 5 50 BFBA in-vitro CCCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5094525 GIARBDHOLPGAIQ-UHFFFAOYSA-N 222.244 2.642 5 50 BFBA CCOc1ccc([N+](=O)[O-])cc1Cl 13386385 VKLNEPUDOYKJDE-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCCC[C@H]32)nc1 252677089 YCJHMNLRZOYPRP-IAZYJMLFSA-N 233.271 2.590 5 50 BFBA O=[N+]([O-])c1cnc(C(F)(F)F)cc1Cl 71864123 VBVLYVRVIUJULO-UHFFFAOYSA-N 226.541 2.662 5 50 BFBA in-vitro CCCCCOc1ncc(C)cc1[N+](=O)[O-] 176707546 BCLCYDIMUSXGEV-UHFFFAOYSA-N 224.260 2.867 5 50 BFBA CC(C)(C)[C@H](c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 3080670 WTDUOHJTKPXMIZ-JTQLQIEISA-N 238.243 2.959 5 50 BFBA Cc1cc(Cl)nc(Cl)c1[N+](=O)[O-] 40435151 CMJNIYUZFQWYCK-UHFFFAOYSA-N 207.016 2.605 5 50 BFBA in-vitro O=C(O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 144710015 NYWWHEXPJFECTO-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA C[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] 4693872 AZLFNGNCDBEDKJ-JTQLQIEISA-N 248.282 2.609 5 50 BFBA O=[N+]([O-])c1ccc(CO[C@@H]2CCCCO2)cc1 136737199 RZXKNTZXSUCTFP-GFCCVEGCSA-N 237.255 2.638 5 50 BFBA Cc1c(-c2ccc(CO)o2)cccc1[N+](=O)[O-] 4821413 ZISIZHZGKLNGHR-UHFFFAOYSA-N 233.223 2.656 5 50 BFBA O=[N+]([O-])c1ccc(OCc2ccccn2)cc1 337529 IZTWAVBPNFMQSH-UHFFFAOYSA-N 230.223 2.569 5 50 BFBA CCC(CC)NC(=O)c1cccc([N+](=O)[O-])c1 456323 CBZUZNQUYKXBPX-UHFFFAOYSA-N 236.271 2.513 5 50 BFBA Cc1cc(OCC(C)C)cc([N+](=O)[O-])c1 261493652 GOXGGGJMSDUAHD-UHFFFAOYSA-N 209.245 2.938 5 50 BFBA O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl 56966 AUAXYMOBWXOEQD-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA biogenic,in-vitro O=[N+]([O-])c1ccccc1CSc1ncccn1 32628376 MVQYJUAXCDRZSW-UHFFFAOYSA-N 247.279 2.677 5 50 BFBA in-vitro CC1(C)CNc2ccc([N+](=O)[O-])cc2S1 95644364 ORTVZBCRHXFSID-UHFFFAOYSA-N 224.285 2.891 5 50 BFBA Nc1ccc([N+](=O)[O-])c(N2CCCC3(CC3)C2)c1 193503799 AGIGQUNXNWJHAB-UHFFFAOYSA-N 247.298 2.557 5 50 BFBA O=[N+]([O-])c1cccc(-c2cn3ccsc3n2)c1 187894 APHADAMGMADIPN-UHFFFAOYSA-N 245.263 2.971 5 50 BFBA O=C(O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 5567098 LKMJMYZOEGSMDN-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA C[C@H]1CC(C)(C)C[C@]1(Br)[N+](=O)[O-] 958528103 JNOYXMSCJOJZJV-XPUUQOCRSA-N 236.109 2.810 5 50 BFBA CCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 3877940 PATRMRVHZVOHEB-UHFFFAOYSA-N 238.243 2.505 5 50 BFBA O=[N+]([O-])c1ccc(O[C@@H]2CCCCO2)cc1 34416219 FCIBEQMWPFEHGQ-LLVKDONJSA-N 223.228 2.500 5 50 BFBA O=[N+]([O-])c1c(F)cccc1C(F)(F)F 59234949 GZNQDXJGTLXDGN-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro O=[N+]([O-])c1cc(/C=C/c2ccncn2)cs1 157341861 OMRPQNWXXVOPNM-OWOJBTEDSA-N 233.252 2.617 5 50 BFBA CC(=O)Nc1cccc2c([N+](=O)[O-])cccc12 3844705 KOVZPSWVTGQDTE-UHFFFAOYSA-N 230.223 2.706 5 50 BFBA biogenic Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 147081507 FJCLAJIRLJQSGN-UHFFFAOYSA-N 221.134 2.802 5 50 BFBA CCOc1cc(Cl)cc([N+](=O)[O-])c1 261493598 FMSMARXRTYCKNG-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA CC(C)(C)OC(=O)c1ccc(F)cc1[N+](=O)[O-] 114170419 JLGPJOUWLXCECT-UHFFFAOYSA-N 241.218 2.689 5 50 BFBA COCCCSc1ccc([N+](=O)[O-])cc1 170602139 PEAGDGKMBVYSOA-UHFFFAOYSA-N 227.285 2.723 5 50 BFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC=CCC1 284005 ZFAIKPNQWLSOCM-JTQLQIEISA-N 246.266 2.890 5 50 BFBA Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 2584309 PCCXJSOGGOWRJC-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro CCOC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 149505850 YSPCPPWLJRMMRO-UHFFFAOYSA-N 247.609 2.564 5 50 BFBA Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2540367 XEQAJBVCRSOQEY-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA Cc1cc(Br)ccc1[N+](=O)[O-] 2508338 PAHAIHXVVJMZKU-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro CC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4299678 MPPIOIXQXANPRH-UHFFFAOYSA-N 248.160 2.572 5 50 BFBA O=[N+]([O-])c1c(NC2CC2)ccc2ncccc12 37378917 IMSZYKNXWJNSHR-UHFFFAOYSA-N 229.239 2.717 5 50 BFBA CCn1c(C)c(C=O)c2cc([N+](=O)[O-])ccc21 294116 AYGSCBMOTQATIU-UHFFFAOYSA-N 232.239 2.690 5 50 BFBA Cc1nn2c3ccc(N)cc3nc2c2ccccc12 4622461 KPLWWFDBGHRVLG-UHFFFAOYSA-N 248.289 2.926 5 50 BFBA O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 38464 LUSSRKMAXZEBEC-UHFFFAOYSA-N 243.218 2.814 5 50 BFBA O=[N+]([O-])c1ccc(COc2cccnc2)cc1 1422649 SXSYXBHXNOLTCZ-UHFFFAOYSA-N 230.223 2.569 5 50 BFBA O=[N+]([O-])c1ccc(Cl)c2cccnc12 191150 DHRPLGHWWKFRKY-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1 1620997 ULALSFRIGPMWRS-UHFFFAOYSA-N 218.168 2.656 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(OC2CCCCC2)nc1 67802465 SJDQRJQZCZFCOQ-UHFFFAOYSA-N 222.244 2.701 5 50 BFBA O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1 8699859 RKLBCPTURHSIOJ-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA CC(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 8762659 WBXFXQPVYQEVTK-UHFFFAOYSA-N 248.282 2.788 5 50 BFBA CCOc1cc([N+](=O)[O-])ccc1Cl 82046442 QYTNTDMOSPPSMY-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA in-vitro CCCCCOC(=O)[C@@H](C)CC[C@@H](C)[N+](=O)[O-] 45068434 NNDVZLCYXYHVRL-WDEREUQCSA-N 245.319 2.801 5 50 BFBA O=N[C@@]1(c2ccccc2)CCCC[C@H]1[N+](=O)[O-] 4797104 SIZLMMPQQONKDM-VXGBXAGGSA-N 234.255 2.868 5 50 BFBA COc1ccc2c(c1)oc(=O)c1ccccc12 47690 BSGMHOUSWFFEMZ-UHFFFAOYSA-N 226.231 2.955 5 50 BFBA biogenic Cc1ccc(NC(=O)OC(C)C)cc1[N+](=O)[O-] 2164731 HUOPMDUOIVJTKJ-UHFFFAOYSA-N 238.243 2.860 5 50 BFBA CCc1nc2ccc([N+](=O)[O-])cc2s1 3129837 LMTIHUKEXUVDTP-UHFFFAOYSA-N 208.242 2.767 5 50 BFBA CCCNc1cc(OCC)ccc1[N+](=O)[O-] 95496100 RECKTXGBISIUPR-UHFFFAOYSA-N 224.260 2.815 5 50 BFBA N=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 616348 PKNVISUSVKURKJ-UHFFFAOYSA-N 247.298 2.842 5 50 BFBA CNc1ccc([N+](=O)[O-])cc1C(F)(F)F 4347695 IPVGIICIFPBLLU-UHFFFAOYSA-N 220.150 2.655 5 50 BFBA in-vitro O=[N+]([O-])c1c(Cl)cc(Cl)nc1Cl 37594145 VJZFGUJBDRDICD-UHFFFAOYSA-N 227.434 2.950 5 50 BFBA O=[N+]([O-])c1cc(Cl)c(O)cc1Cl 5783838 BWQWBOCFVUBGEF-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2ccc(Cl)nc2c1 28764623 PBGQDNSMFBXURC-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro CCCOc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1 13118324 HJRUECYWQSFJBD-UHFFFAOYSA-N 247.254 2.774 5 50 BFBA O=Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-] 263623917 LUWUNYMGFNDSJH-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA O=[N+]([O-])c1ccc(N2CCCCCC2)cc1 4054207 WXAAQKMTSQDMII-UHFFFAOYSA-N 220.272 2.975 5 50 BFBA Cc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])c(C)c1 6382529 GACIWOLKJMJYEQ-UHFFFAOYSA-N 246.270 2.987 5 50 BFBA CCOc1ccc([N+](=O)[O-])c(NC2CC2)c1 169726170 FMEITTDSZNDCQC-UHFFFAOYSA-N 222.244 2.568 5 50 BFBA O=[N+]([O-])c1cc(F)ccc1OCC(F)(F)F 144379308 LFIRBTKVPRXFQH-UHFFFAOYSA-N 239.124 2.675 5 50 BFBA O=[N+]([O-])c1ccc(Cc2ccccn2)cc1 1663880 YBRDBYGCEIDLBX-UHFFFAOYSA-N 214.224 2.581 5 50 BFBA O=[N+]([O-])c1cc(Cl)cc(Cl)c1O 12405073 LYPMXMBQPXPNIQ-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA in-vitro CCc1ccc([N+](=O)[O-])c(CC)c1NC(C)=O 2164755 FQZYCHPZMBXHND-UHFFFAOYSA-N 236.271 2.678 5 50 BFBA O=C(O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1 33427633 ZWQRSJSVYWEXHN-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA O=[N+]([O-])c1cc(C(F)(F)F)cc(F)c1F 2560317 OADFVSQNTMBILE-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA Nc1ccc2oc(=O)c3ccccc3c2c1 120450 DGSQFJGGUZPEHU-UHFFFAOYSA-N 211.220 2.528 5 50 BFBA Cc1cc([N+](=O)[O-])cc(C(C)(C)C)c1N 4087039 VEOUDIXPHHROOC-UHFFFAOYSA-N 208.261 2.783 5 50 BFBA CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 4578619 MIHJCLQINRFOLX-UHFFFAOYSA-N 248.160 2.572 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(NC2CCCCC2)nc1 19341930 OGOQAAXBFKYJBE-UHFFFAOYSA-N 221.260 2.734 5 50 BFBA in-vitro Cc1c(NC(=O)c2ccco2)cccc1[N+](=O)[O-] 98475 BCTFKKPXDJSIQZ-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=[N+]([O-])c1cccnc1-c1ccc(F)cc1 3883969 WOFJRVBRBNYZFI-UHFFFAOYSA-N 218.187 2.796 5 50 BFBA in-vitro [O-][n+]1c2ccccc2nc2cc(Cl)ccc21 4897621 BKCPNDKKVXMVHG-UHFFFAOYSA-N 230.654 2.675 5 50 BFBA O=Cc1ccc(COc2ccccc2[N+](=O)[O-])o1 373986 DHEVJPAINBNBGZ-UHFFFAOYSA-N 247.206 2.579 5 50 BFBA COc1ccc2cc([N+](=O)[O-])ccc2c1 3844689 NDGWQNJHOROWIO-UHFFFAOYSA-N 203.197 2.757 5 50 BFBA biogenic CC1(C)CC(=O)c2c([N+](=O)[O-])ccc(F)c21 261507685 LCXQUUPKMMRGTR-UHFFFAOYSA-N 223.203 2.598 5 50 BFBA COc1cccc(Nc2ncccc2[N+](=O)[O-])c1 4007912 QQSJKRXAYGNGOZ-UHFFFAOYSA-N 245.238 2.742 5 50 BFBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 475489 WHWYSOGAZYHDGZ-UHFFFAOYSA-N 240.646 2.597 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1Br 1698450 HIMGPQVBNICCGL-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro CCCC[C@@H](CC)C1OCC(C)([N+](=O)[O-])CO1 4802438 FCGHBWUKOGKLKO-VOMCLLRMSA-N 245.319 2.611 5 50 BFBA in-vitro CCC(CC)n1nc(C)c([N+](=O)[O-])c1C 170611111 SIPCNKULOUVJRU-UHFFFAOYSA-N 211.265 2.769 5 50 BFBA O=C(NC1CCCCC1)c1cccc([N+](=O)[O-])c1 103300 GIKBXMBZCABMCJ-UHFFFAOYSA-N 248.282 2.657 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1-n1cccc1C=O 2582730 NJJREKHOMJFFAL-UHFFFAOYSA-N 230.223 2.506 5 50 BFBA in-vitro COc1ccc2c([N+](=O)[O-])cccc2c1 34426564 ZXCAQIAMTBQFGZ-UHFFFAOYSA-N 203.197 2.757 5 50 BFBA COc1cc(-c2ccc([N+](=O)[O-])c(F)c2)ccn1 725242642 PTPQAADRSVESBS-UHFFFAOYSA-N 248.213 2.805 5 50 BFBA O=[N+]([O-])c1cnc2ccccc2c1Cl 21299201 ZRFUZDDJSQVQBY-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(-n2cnc3ccccc32)cc1 4676136 FLQZDRHGMHQDHM-UHFFFAOYSA-N 239.234 2.934 5 50 BFBA Nc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-] 4334569 HLEWKRQSGSZHGO-UHFFFAOYSA-N 240.568 2.849 5 50 BFBA O=[N+]([O-])[C@@H]1CC=C[C@@H](c2ccccc2)C1 44123143 BYRPHJMHUKSHSP-VXGBXAGGSA-N 203.241 2.766 5 50 BFBA Cc1cc(N)c([N+](=O)[O-])cc1C(F)(F)F 95635183 APYSPMUZFXCMTP-UHFFFAOYSA-N 220.150 2.504 5 50 BFBA in-vitro CCSc1nc2ccc([N+](=O)[O-])cc2[nH]1 300693 XEDUCRUUKUIWQF-UHFFFAOYSA-N 223.257 2.583 5 50 BFBA O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1 132340 MFYLRNKOXORIPK-UHFFFAOYSA-N 227.219 2.826 5 50 BFBA in-vitro Cc1cccc(/C=C/c2onc(C)c2[N+](=O)[O-])n1 4620899 XNHGVTDLRFSAPN-VOTSOKGWSA-N 245.238 2.765 5 50 BFBA O=[N+]([O-])c1ccc(OC(F)(F)C(F)F)cc1 155385 VNSOCOWFQDIYTN-UHFFFAOYSA-N 239.124 2.832 5 50 BFBA COc1ccc([N+](=O)[O-])cc1OCC(C)C 33823383 YDZNCVFZKVUHCT-UHFFFAOYSA-N 225.244 2.638 5 50 BFBA CCCC[C@H](CC)C1OCC(C)([N+](=O)[O-])CO1 1696030 FCGHBWUKOGKLKO-UNXYVOJBSA-N 245.319 2.611 5 50 BFBA in-vitro CCC[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 1396300 QURBJKKJAXCORK-SNVBAGLBSA-N 223.228 2.563 5 50 BFBA CC(C)Oc1cc([N+](=O)[O-])c(F)cc1F 261494436 XQAHMNISMZWBMH-UHFFFAOYSA-N 217.171 2.660 5 50 BFBA O=[N+]([O-])c1cccc(F)c1C(F)(F)F 79387505 IQTQCANMBSHSNU-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccncc2)cc1 247033 XBXSGMVYJPSYLI-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA biogenic,in-vitro Nc1ccccc1-c1ccc([N+](=O)[O-])cc1 1661396 AMBSXARSPPODRO-UHFFFAOYSA-N 214.224 2.844 5 50 BFBA in-vitro O=C(O)c1ccccc1-c1cccc([N+](=O)[O-])c1 22201654 LGZSDFBCFHDCKP-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA Nc1ccc2c(c1)c(=O)oc1ccccc12 71774286 JAONNXSTACOXOT-UHFFFAOYSA-N 211.220 2.528 5 50 BFBA COc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 261493434 AZBZHTPPPXYLGS-UHFFFAOYSA-N 237.133 2.502 5 50 BFBA Cn1c(=O)ccc2ccc3ccccc3c21 458960 DRBOITZIPKXREK-UHFFFAOYSA-N 209.248 2.692 5 50 BFBA Cc1cc(F)c(Br)c([N+](=O)[O-])c1 307268015 JUHSOFUPFHGQIM-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA O=[N+]([O-])c1cc(O)c(Cl)cc1Cl 2598116 OFAPWTOOMSVMIU-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(-c2ccccc2O)c1 39233623 BJWIJDZWPRHJPD-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA O=[N+]([O-])c1cc(Br)cc(F)c1F 65336834 OUPFVSYTAGACOT-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro COc1c(OC(F)(F)F)cccc1[N+](=O)[O-] 306145180 BUIXEGMYVONDJE-UHFFFAOYSA-N 237.133 2.502 5 50 BFBA in-vitro COc1ccc2oc3ccccc3c(=O)c2c1 3979039 DVZCOQQFPCMIPO-UHFFFAOYSA-N 226.231 2.955 5 50 BFBA endogenous,in-man O=Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 7185682 OWMUADYGMMIOLH-UHFFFAOYSA-N 244.206 2.595 5 50 BFBA in-vitro CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC1 287261377 KDJQYOOQXFSQDX-UHFFFAOYSA-N 234.255 2.762 5 50 BFBA C[N+](C)(C)CCCCCC[N+]1(C)CCCCC1 390834877 LCKNENOEJPNSSL-UHFFFAOYSA-N 242.451 2.884 5 50 BFBA O=[N+]([O-])c1cc(Cl)c(Cl)cc1O 2007519 CEFFUJIHZMPDID-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA O=C(NC1CCCCC1)c1ccccc1[N+](=O)[O-] 121138 HVAPXQQNJGQXGW-UHFFFAOYSA-N 248.282 2.657 5 50 BFBA Cc1ccc(Br)cc1[N+](=O)[O-] 132910 KZNXALJXBRSMFL-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1Br 67792685 UWPUJVOSEQMMQE-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)C 372626 CNOLVFDLMGBELS-UHFFFAOYSA-N 236.271 2.888 5 50 BFBA CC(C)(C)Nc1cc(F)ccc1[N+](=O)[O-] 38537474 PDPODKJJJYTBIM-UHFFFAOYSA-N 212.224 2.944 5 50 BFBA in-vitro Cc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1 459585 UAAULAKHYRANRB-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA in-vitro COc1ccc(-c2ncccc2[N+](=O)[O-])cc1 3883970 RFEKDBSKSCHAMP-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA O=[N+]([O-])c1cccc(Oc2ccncc2)c1 201088313 LATNLEGVUWFTII-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 1233432 UMBRMDXTPOADQT-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=[N+]([O-])c1cc(O)c(Cl)c(Cl)c1 247356662 XZPYWSMHAVVJNK-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 4987459 DSXIOZNUPJGVGI-NSHDSACASA-N 234.299 2.827 5 50 BFBA CNc1cc(-c2ccccc2)cnc1[N+](=O)[O-] 137355668 KDIZDYCAQFPCFW-UHFFFAOYSA-N 229.239 2.699 5 50 BFBA O=[N+]([O-])c1cccc2ccn(C(F)F)c12 157997708 IEJMXPSURQFOSM-UHFFFAOYSA-N 212.155 2.945 5 50 BFBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1 3851667 ARMSTQBMUHJXHU-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA biogenic O=[N+]([O-])c1cc(F)c(F)c(C(F)F)c1 263624315 PGOPPGBFGSXUDU-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA CC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3850168 JQCFGZACMYISOF-UHFFFAOYSA-N 247.172 2.745 5 50 BFBA biogenic CC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] 3894758 ZKEOXGOYGVYZJN-UHFFFAOYSA-N 236.271 2.851 5 50 BFBA O=Cc1ccc(-c2cccc(O)c2)c([N+](=O)[O-])c1 725270127 XUFHLQZHQRRZFZ-UHFFFAOYSA-N 243.218 2.780 5 50 BFBA Cc1onc(-c2ccccc2)c1[N+](=O)[O-] 2913486 VHFXQIKWXZLKNQ-UHFFFAOYSA-N 204.185 2.558 5 50 BFBA O=[N+]([O-])c1ccc(CC(F)(F)F)cc1 34481191 TWBBLUSIUSNNAH-UHFFFAOYSA-N 205.135 2.700 5 50 BFBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1O 90129997 GAZOASPEAVAGAU-UHFFFAOYSA-N 241.552 2.973 5 50 BFBA in-vitro c1ccc2c(c1)[nH]c1c2ccc2nonc21 2490441 RNHDJOFUYJIINT-UHFFFAOYSA-N 209.208 2.857 5 50 BFBA O=[N+]([O-])c1c(Cl)sc(Cl)c1[N+](=O)[O-] 5224498 UNRSLHGBQKYYSF-UHFFFAOYSA-N 243.027 2.871 5 50 BFBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 293406 CBTCPDZOYXPPGT-UHFFFAOYSA-N 248.282 2.611 5 50 BFBA CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 4086510 URLGXKCNSXNVOM-UHFFFAOYSA-N 228.635 2.515 5 50 BFBA CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4329313 FDGCMYGPTQRTMZ-UHFFFAOYSA-N 234.177 2.680 5 50 BFBA in-vitro Cc1cc(Br)cc(F)c1[N+](=O)[O-] 95627775 DKBQOOXGPIRVPC-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 132767 ICDAYOOBGHYICW-UHFFFAOYSA-N 245.209 2.965 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])c(Cl)nc1Cl 39193792 XLKDPPLSOTVMFR-UHFFFAOYSA-N 207.016 2.605 5 50 BFBA in-vitro Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 59940 ZSIOUBJIZXVJPQ-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 449833 YACGXSVFWGUWKP-VIFPVBQESA-N 236.271 2.513 5 50 BFBA CNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 65337140 OEMXVJJCFPOMMU-UHFFFAOYSA-N 236.149 2.535 5 50 BFBA in-vitro C[C@H]1CC[C@@H](C)C[C@@]1(Br)[N+](=O)[O-] 958528950 ZNWNXXJVYFTNMJ-GJMOJQLCSA-N 236.109 2.810 5 50 BFBA O=Nc1ccc(Br)cc1[N+](=O)[O-] 63772508 BVLKGTGAXPBHBM-UHFFFAOYSA-N 231.005 2.755 5 50 BFBA O=[N+]([O-])c1ccccc1Oc1ccncc1 71767228 DSCXYBWWBUWANL-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 267047 SLTPHPQCJKBPDQ-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=[N+]([O-])c1c(Cl)ccc2ncccc12 11535642 GIMHFTJFCRTQRS-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1[N+](=O)[O-] 3860430 AEPQXGFMAZTUEA-UHFFFAOYSA-N 224.216 2.737 5 50 BFBA O=[N+]([O-])c1ccc(Oc2ccncc2)cc1 54965368 WNLPFSUCTGPURU-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA OCc1cccc2cc3cccc(CO)c3cc12 2379575 GSHJWFSWKUADLL-UHFFFAOYSA-N 238.286 2.978 5 50 BFBA in-vitro CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4558876 XFLMVRNRVDULNK-UHFFFAOYSA-N 239.231 2.715 5 50 BFBA c1ccc2c(c1)nc1[nH]c3ccccc3n12 116879572 KLACMEYLRXQSMN-UHFFFAOYSA-N 207.236 2.969 5 50 BFBA C[N+]1([C@H]2CC[C@H]3CCC[C@H]2C3=O)CCCCC1 239402792 RDMYHQLYZMGUBF-MCIONIFRSA-N 236.379 2.765 5 50 BFBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccco1 466767 ULEZYUQRADIFSY-UHFFFAOYSA-N 247.206 2.545 5 50 BFBA O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12 3860994 ZUTCJXFCHHDFJS-UHFFFAOYSA-N 218.168 2.656 5 50 BFBA in-vitro CCOc1cc([N+](=O)[O-])cc(Cl)c1OC 261493689 HCPJYEUEUWXLDK-UHFFFAOYSA-N 231.635 2.656 5 50 BFBA CC(C)NCc1c(Cl)cccc1[N+](=O)[O-] 82582683 IEWXOJIUUBFPTO-UHFFFAOYSA-N 228.679 2.746 5 50 BFBA Cc1ccc(Br)c([N+](=O)[O-])c1F 261493720 HUYOQRFHDRKQNA-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA CCCCOC(=O)Nc1cccc([N+](=O)[O-])c1 2164787 WKYFETOEICLKPP-UHFFFAOYSA-N 238.243 2.943 5 50 BFBA O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 266881 XWQLGLUTQIKSAJ-UHFFFAOYSA-N 233.179 2.553 5 50 BFBA in-vitro O=c1oc2cc(O)ccc2c2ccccc12 86978 WXUQMTRHPNOXBV-UHFFFAOYSA-N 212.204 2.652 5 50 BFBA endogenous,in-man O=C(O)c1cc2c(ccc3ccccc32)oc1=O 169296 RMHHFZIWCLXRTA-UHFFFAOYSA-N 240.214 2.644 5 50 BFBA COc1cc2nc(C)sc2cc1[N+](=O)[O-] 255188856 MADRVPFOPVMSTO-UHFFFAOYSA-N 224.241 2.522 5 50 BFBA CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2141413 YOXWOXDQACBPEQ-UHFFFAOYSA-N 240.234 2.719 5 50 BFBA CCNc1ccc([N+](=O)[O-])c2cccnc12 4713392 NFQOMPCAGXOWEL-UHFFFAOYSA-N 217.228 2.575 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2c(c1)ncn2-c1ccccc1 174449 YXIZJJZDLDWOFR-UHFFFAOYSA-N 239.234 2.934 5 50 BFBA O=[N+]([O-])c1ccc2nc(-c3ccccn3)[nH]c2c1 15990236 VRZGTMSSHMHGPC-UHFFFAOYSA-N 240.222 2.533 5 50 BFBA O=[N+]([O-])c1ccc(NC2CC2)c2ncccc12 24057186 YVTXHPCFLJEPBL-UHFFFAOYSA-N 229.239 2.717 5 50 BFBA Cc1c([N+](=O)[O-])cc(Br)c(N)c1C 95080309 SACJHENIOITGGB-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CSCC3 1754860 JTDQPWISLAVXCV-UHFFFAOYSA-N 234.280 2.865 5 50 BFBA Nc1cc([N+](=O)[O-])ccc1Oc1ccccc1 1712521 JLDQORDBQQXPCI-UHFFFAOYSA-N 230.223 2.969 5 50 BFBA CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 4582620 YOKGZPNQGIYATO-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA Cc1ccc(-n2cccc2)c([N+](=O)[O-])c1 138114 DFPKHCCZVFEALB-UHFFFAOYSA-N 202.213 2.694 5 50 BFBA in-vitro COc1cc(C)c(/C=C/[N+](=O)[O-])c(C)c1 5679711 KCLAPPJDHCXORZ-SNAWJCMRSA-N 207.229 2.559 5 50 BFBA O=[N+]([O-])c1cccc2c(Cl)nc(Cl)nc12 143423488 AAZHSDKNMNJKGA-UHFFFAOYSA-N 244.037 2.845 5 50 BFBA CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 4831681 KVAANWDMOIROOR-UHFFFAOYSA-N 221.043 2.943 5 50 BFBA O=[N+]([O-])c1ccc(Cl)c(Cl)c1O 39018712 SJWMPHKDBJQBBJ-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA COc1cc([N+](=O)[O-])c(C)cc1Cl 91297592 CNOXJOUJOZTIKY-UHFFFAOYSA-N 201.609 2.565 5 50 BFBA CCCOc1cc([N+](=O)[O-])c(F)cc1F 261493401 AIQFVPHUTXBPCW-UHFFFAOYSA-N 217.171 2.662 5 50 BFBA CC(C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 2870316 QIXYMJWGBLXUTA-UHFFFAOYSA-N 233.227 2.768 5 50 BFBA CCCCOc1ncc(Cl)cc1[N+](=O)[O-] 261493888 LIUIDJOFUGOIEN-UHFFFAOYSA-N 230.651 2.822 5 50 BFBA O=[N+]([O-])c1cccc(-c2ccc(CO)cc2)c1 14007852 FDGVRKDIAKLYNZ-UHFFFAOYSA-N 229.235 2.754 5 50 BFBA C[C@@H]1CCC[C@](Br)([N+](=O)[O-])C1 958528087 JEXFSSKMWRJWCX-RQJHMYQMSA-N 222.082 2.564 5 50 BFBA Cc1ccc(NC(=O)CC(C)C)c([N+](=O)[O-])c1 4689108 IOEYYIUAGUMBDH-UHFFFAOYSA-N 236.271 2.888 5 50 BFBA O=[N+]([O-])c1cccc(-c2cccc(O)c2)c1 32013042 WNJTYKRGWYTCCZ-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])cc(C)c1Br 2577345 MDIUQZPRHOZKMG-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA CCCCCOC(=O)[C@@H](C)CC[C@H](C)[N+](=O)[O-] 45068439 NNDVZLCYXYHVRL-QWRGUYRKSA-N 245.319 2.801 5 50 BFBA CCCC(=O)c1ccc(C)c([N+](=O)[O-])c1 1505279 DEGMDWRKLPOGLE-UHFFFAOYSA-N 207.229 2.886 5 50 BFBA CC(=O)c1ccc(Br)c([N+](=O)[O-])c1 152514 YFVOFFKNHQTQQE-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA in-vitro Nc1ccc2sc3ccccc3c(=O)c2c1 4053747 WKQHDJCDUTWHNS-UHFFFAOYSA-N 227.288 2.997 5 50 BFBA CC1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 4245522 CJWGGGXUHNSPKD-UHFFFAOYSA-N 248.282 2.644 5 50 BFBA O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(F)c1 169725322 UGDDKCBUTLZLLM-UHFFFAOYSA-N 246.188 2.579 5 50 BFBA O=C(c1ccccc1[N+](=O)[O-])N1CCCCCC1 103189 GPWWPUJHEXVVNL-UHFFFAOYSA-N 248.282 2.611 5 50 BFBA CC(=O)c1ccc(Br)cc1[N+](=O)[O-] 34306989 NZUHVXSDFZFAFX-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA in-vitro Cc1cccc2c(=O)c3ccccc3[nH]c12 4824995 UJDZYKLDVNNWRV-UHFFFAOYSA-N 209.248 2.990 5 50 BFBA CC(C)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 49133 KCNWIUZSHHYIES-UHFFFAOYSA-N 219.244 2.670 5 50 BFBA CCCSc1ccc([N+](=O)[O-])c(N)c1 4520947 NLCPQMUVBQILMA-UHFFFAOYSA-N 212.274 2.679 5 50 BFBA O=[N+]([O-])c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 4529519 OBRJNJHIDOWUTJ-UHFFFAOYSA-N 236.998 2.810 5 50 BFBA COc1cc(Br)cc([N+](=O)[O-])c1C 14983115 XTZNLELDRXUAOX-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA COc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1 276287 KJPUSAJELIKPIW-UHFFFAOYSA-N 247.206 2.676 5 50 BFBA CC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4289461 RBEVUHKSMGYLIF-UHFFFAOYSA-N 248.160 2.572 5 50 BFBA CC(=O)c1ccc([N+](=O)[O-])c(Br)c1 78447280 KOIQPVZFSPQQDF-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA in-vitro NCCCCCCNc1ccccc1[N+](=O)[O-] 44125429 IDTBEZBECUDWLP-UHFFFAOYSA-N 237.303 2.526 5 50 BFBA CC(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 4819701 OXFXFSPCJIELDS-UHFFFAOYSA-N 222.244 2.579 5 50 BFBA O=c1c2ccccc2nc2oc3ccccc3n12 4536375 HINUIMNQFYZLFK-UHFFFAOYSA-N 236.230 2.594 5 50 BFBA CC(C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 64916 SYAIBOZYDSNSJG-UHFFFAOYSA-N 243.646 2.813 5 50 BFBA O=[N+]([O-])c1ccc(CN2CCCCC2)cc1 4989036 PAMJENUKCYUKLC-UHFFFAOYSA-N 220.272 2.581 5 50 BFBA in-vitro CC[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 455650 KSFDCGOQDLHZHX-ZETCQYMHSA-N 240.234 2.719 5 50 BFBA COc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 5031108 GPZHAQSTCCPYFC-UHFFFAOYSA-N 236.271 2.594 5 50 BFBA O=[N+]([O-])c1ccc(CC(F)(F)F)c(F)c1 66323303 AXZQAKMGVDNVBG-UHFFFAOYSA-N 223.125 2.839 5 50 BFBA CCOCSc1ccc([N+](=O)[O-])cc1 261493513 COHFVXVUSPJTQE-UHFFFAOYSA-N 213.258 2.681 5 50 BFBA CC(C)(C)c1cc(C(=O)O)cc([N+](=O)[O-])c1 261494000 NWCWFNOXNHLQIA-UHFFFAOYSA-N 223.228 2.591 5 50 BFBA CC(C)(C)n1ccc(=O)c2cc([N+](=O)[O-])ccc21 1772574300 KFHQYPIBDUOZJS-UHFFFAOYSA-N 246.266 2.665 5 50 BFBA CC(C)(C)Oc1ccc(F)cc1[N+](=O)[O-] 38235112 CJGDTWBHCUOVFN-UHFFFAOYSA-N 213.208 2.911 5 50 BFBA CSc1c[nH]c2ccc([N+](=O)[O-])cc12 59872541 VUNNQJOOWSYFPU-UHFFFAOYSA-N 208.242 2.798 5 50 BFBA in-vitro CC[N+](CC)(CC)CCC[N+]1(CC)CCCC1 1775970483 DPTCVPNRYAVGNU-UHFFFAOYSA-N 242.451 2.884 5 50 BFBA O=[N+]([O-])c1ccc(N2CCCCC2)s1 4716690 AHXNCGUEOCEZLI-UHFFFAOYSA-N 212.274 2.647 5 50 BFBA O=Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 226233967 KNRLAJBJMWNMKZ-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA O=[N+]([O-])c1c(O)cccc1OCc1ccccc1 95494805 YJKYCRSONHRGJN-UHFFFAOYSA-N 245.234 2.879 5 50 BFBA O=[N+]([O-])c1ccc(SC(F)F)cc1 261806 OPMAJTTXWQKVIG-UHFFFAOYSA-N 205.185 2.910 5 50 BFBA biogenic Cc1ccc2c(c1)[nH]c1c2ccc2cnc(=O)[nH]c21 136935475 SQKWORQSCUYARU-UHFFFAOYSA-N 249.273 2.866 5 50 BFBA O=[N+]([O-])c1ccc2c(Br)c[nH]c2c1 33426807 CUHNSXKCMBQLRL-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA COc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 3883864 AQFGZIXPQOUSHT-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(OCc2ccccc2)cc1O 34218592 XGCGFGQIRIUEED-UHFFFAOYSA-N 245.234 2.879 5 50 BFBA CC1(C)COC(/C=C/c2cccc([N+](=O)[O-])c2)=N1 112829 KZXOMDOFIZQGCR-VOTSOKGWSA-N 246.266 2.815 5 50 BFBA CC(C)(C)C(=O)Nc1ccccc1[N+](=O)[O-] 5383567 VHTHOGHPSQBKIO-UHFFFAOYSA-N 222.244 2.579 5 50 BFBA O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@H]2O 2167069 SRAZCUGEAYIAKK-CYBMUJFWSA-N 227.219 2.657 5 50 BFBA O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1Cl 117020107 XCAAKLMJGXTCMA-UHFFFAOYSA-N 234.042 2.569 5 50 BFBA O=[N+]([O-])c1cccc(Oc2cccnc2)c1 113260304 ZGLWTQDQUDFCNO-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA CCCCOc1cccc([N+](=O)[O-])c1F 261494295 ULFLJOFHYBYIME-UHFFFAOYSA-N 213.208 2.913 5 50 BFBA C[N+](C)(C)CCCCCCC[N+]1(C)CCCC1 1775970966 LJHYEDNYXVXNSR-UHFFFAOYSA-N 242.451 2.884 5 50 BFBA CCCOc1c(F)ccc([N+](=O)[O-])c1F 261494470 YJCGNFPXGQXLJS-UHFFFAOYSA-N 217.171 2.662 5 50 BFBA CC(C)COc1nccc([N+](=O)[O-])c1Cl 261493690 HCSSHMKIJKVWCL-UHFFFAOYSA-N 230.651 2.678 5 50 BFBA O=[N+]([O-])c1cc(Br)c2[nH]ccc2c1 2525502 XXJOZTUJVYCOMP-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA O=[N+]([O-])c1ccc(C(F)(F)F)c(F)c1 19615515 XYKVQPNHGFUXBS-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)cc1 56927 CATQYSSYYQMLHV-AATRIKPKSA-N 217.146 2.953 5 50 BFBA in-vitro COc1cccc(/C=C/N2CCCC2)c1[N+](=O)[O-] 49942677 MVLONDZYHRQJTM-JXMROGBWSA-N 248.282 2.670 5 50 BFBA Cc1cc([N+](=O)[O-])c(OC(C)C)cc1F 238150387 NSSOSOVHSHJTGE-UHFFFAOYSA-N 213.208 2.830 5 50 BFBA CC(C)(C)n1cnc2cc([N+](=O)[O-])ccc21 122465 QXEVVCLRNNHEPV-UHFFFAOYSA-N 219.244 2.700 5 50 BFBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(C)C 476562 SZRCDNPCLQFMIS-VOTSOKGWSA-N 237.255 2.730 5 50 BFBA O=[N+]([O-])c1cc(OC(F)(F)F)ccc1F 34295773 XWFNBCCMBGKMFB-UHFFFAOYSA-N 225.097 2.633 5 50 BFBA in-vitro CC(=O)Nc1c([N+](=O)[O-])ccc2ccccc12 4802699 ZHEFRQHOFYZVOT-UHFFFAOYSA-N 230.223 2.706 5 50 BFBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 3860756 UISHBVQQPVMSCS-UHFFFAOYSA-N 225.631 2.841 5 50 BFBA Cc1c(N)cc([N+](=O)[O-])cc1C(F)(F)F 117604793 XPLRFEZPDVQOMJ-UHFFFAOYSA-N 220.150 2.504 5 50 BFBA O=[N+]([O-])c1c[nH]c2ccc(Br)cc12 199795344 OMCFUDPGQYOPBI-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA CCCSc1cc(N)cc([N+](=O)[O-])c1 2944908 WHOCGHKSHYHXDO-UHFFFAOYSA-N 212.274 2.679 5 50 BFBA O=[N+]([O-])c1ccc2c3c(cccc13)C(=S)N2 4159441 ANHRBJYBYXZGQQ-UHFFFAOYSA-N 230.248 2.849 5 50 BFBA O=[N+]([O-])c1ccc2[nH]cc(Br)c2c1 33426806 LBTWTOYAMQQAKO-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA in-vitro CCCCOc1ccc([N+](=O)[O-])cc1C=O 37022815 IRSYSICSOSZGGA-UHFFFAOYSA-N 223.228 2.586 5 50 BFBA O=[N+]([O-])c1c(F)ccc(F)c1Br 307535408 RIUSQZYGBQQWAF-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA O=[N+]([O-])/C=C/c1ccccc1C(F)(F)F 56932 CAXVHMDVSKVTID-AATRIKPKSA-N 217.146 2.953 5 50 BFBA in-vitro O=[N+]([O-])c1cccnc1Oc1ccccc1 481263 SUUZDNBBAQOFQR-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA COc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 34217567 YVBJIJGYOHMSQV-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA C[C@@H]1CCC[C@@](Br)([N+](=O)[O-])C1 958528086 JEXFSSKMWRJWCX-RNFRBKRXSA-N 222.082 2.564 5 50 BFBA Cc1ccn2c(c1)nc1cc([N+](=O)[O-])ccc12 4754718 ABTUGHIIUXNNEF-UHFFFAOYSA-N 227.223 2.704 5 50 BFBA O=[N+]([O-])/C=C/c1ccc(OC(F)(F)F)cc1 56929 VQPCHPLGNGSFLJ-AATRIKPKSA-N 233.145 2.833 5 50 BFBA O=[N+]([O-])c1cccc2c(Cl)ccnc12 249516 AOATVJLAFLBGPZ-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA biogenic,in-vitro Cc1occc1C(=O)Nc1ccccc1[N+](=O)[O-] 4749934 SXVCZLKUOSCBJX-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA Cc1cc(Br)c(N)c([N+](=O)[O-])c1C 1857526037 BOFQDTFYHLDLKN-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA Cc1cc(C)c([N+](=O)[O-])cc1Br 2545425 HYYJANCKMGXHLQ-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro Cc1noc(C)c1COc1ccccc1[N+](=O)[O-] 13137688 ZAZIHDWYULQJBP-UHFFFAOYSA-N 248.238 2.779 5 50 BFBA CC(C)c1nccn1Cc1cccc([N+](=O)[O-])c1 30947873 YIINQPXWFWYPNE-UHFFFAOYSA-N 245.282 2.963 5 50 BFBA Cc1cccc(C(=O)NC2CCCC2)c1[N+](=O)[O-] 465352 IOUHIJPSRHTQLT-UHFFFAOYSA-N 248.282 2.576 5 50 BFBA CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 620451 YYZVCCUTFIGANK-UHFFFAOYSA-N 236.271 2.513 5 50 BFBA CCN(CC)c1ccc(F)cc1[N+](=O)[O-] 4818896 AWZGFXLNXUERQT-UHFFFAOYSA-N 212.224 2.580 5 50 BFBA CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 4989133 FAOWFDQRSRDPOT-UHFFFAOYSA-N 234.299 2.827 5 50 BFBA CCCCc1c(NC(C)=O)cccc1[N+](=O)[O-] 6890818 CBZXVXKXYRVLKZ-UHFFFAOYSA-N 236.271 2.896 5 50 BFBA CC1(C)COC(c2cccc([N+](=O)[O-])c2)OC1 1679850 FSETUSRKOSOTEQ-UHFFFAOYSA-N 237.255 2.666 5 50 BFBA Cc1cc(=O)c2c(ccc3ccccc32)[nH]1 9010373 UBWDPPRQICRYGI-UHFFFAOYSA-N 209.248 2.990 5 50 BFBA O=[N+]([O-])c1cccc(-c2cn3ccccc3n2)c1 72823 SPUPFENARGKGHC-UHFFFAOYSA-N 239.234 2.910 5 50 BFBA biogenic CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 2164773 LQLMQZRSOZCTAV-UHFFFAOYSA-N 237.259 2.516 5 50 BFBA C[n+]1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 115604025 HNUGDEYNOJHVHC-NSCUHMNNSA-N 241.270 2.590 5 50 BFBA O=[N+]([O-])c1cccc(Cl)c1OC(F)F 196987913 MLTJPWGXJFXZSI-UHFFFAOYSA-N 223.562 2.850 5 50 BFBA O=[N+]([O-])c1ccccc1-c1ccccc1O 333787 CQKJEXNLVJBTRT-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA CS/C(=C\[N+](=O)[O-])Nc1ccccc1 5211187 FBHJXWOURBPAKR-CLFYSBASSA-N 210.258 2.537 5 50 BFBA O=[N+]([O-])c1ccc(Cl)c2ccncc12 13283852 ALVRETDOJATHCM-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro COc1ccccc1Nc1ncccc1[N+](=O)[O-] 3880512 RZVCNRNXBBARDJ-UHFFFAOYSA-N 245.238 2.742 5 50 BFBA CCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 38537047 IGMYZGXSTXQVRF-UHFFFAOYSA-N 247.254 2.987 5 50 BFBA in-vitro Cc1cnc(NC(C)(C)C)c([N+](=O)[O-])c1 38537015 UUPQPXGBTGMRDO-UHFFFAOYSA-N 209.249 2.509 5 50 BFBA O=[N+]([O-])c1ccc(CO[C@H]2CCCCO2)cc1 136737224 RZXKNTZXSUCTFP-LBPRGKRZSA-N 237.255 2.638 5 50 BFBA CC1CCN(c2ccccc2[N+](=O)[O-])CC1 4859559 NWQIPZQULCORCG-UHFFFAOYSA-N 220.272 2.831 5 50 BFBA CCOc1ccc([N+](=O)[O-])c(Cl)c1 38951231 PUQOTGSVVMQOHM-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 4558929 JGVXQZRIRQLMHA-UHFFFAOYSA-N 244.250 2.756 5 50 BFBA in-vitro CCCCN(C)Cc1cccc([N+](=O)[O-])c1 2479831 XAULBHVCTWBVEX-UHFFFAOYSA-N 222.288 2.827 5 50 BFBA COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1403825 OSVZEJHBIFIMJF-UHFFFAOYSA-N 237.236 2.596 5 50 BFBA CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1655733 IIPZYDQGBIWLBU-UHFFFAOYSA-N 240.215 2.506 5 50 BFBA biogenic,in-vitro O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 155127 XUFDYUSOQQYQRL-UHFFFAOYSA-N 233.179 2.553 5 50 BFBA in-vivo Cc1c(Br)cc([N+](=O)[O-])c(N)c1C 4276807 XRYVCCUUPIZPMI-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA in-vitro O=[N+]([O-])c1cnc(Cl)c2ccccc12 4787026 JMPCRAAJZFDSCH-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(/C=C/Br)cc1 3080667 WUOJWZYDGWRQLI-AATRIKPKSA-N 228.045 2.960 5 50 BFBA O=[N+]([O-])c1cc(F)c(C(F)F)c(F)c1 263625388 ZLNDQSMTFIQPLN-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 35743 DXUACWQWQDJZMY-UHFFFAOYSA-N 217.180 2.667 5 50 BFBA in-vitro Nc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1 642881457 FEUGZEXFXQKMGX-UHFFFAOYSA-N 232.214 2.983 5 50 BFBA O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 3848626 VTIDLRLMTWAWBF-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA biogenic O=[N+]([O-])c1ccccc1/C=C/CN1CCCC1 16662835 DMAOZEUHKHOPJG-FNORWQNLSA-N 232.283 2.704 5 50 BFBA Cc1c(-n2cccc2C=O)cccc1[N+](=O)[O-] 1395192 PEUZPVMFYYNHCZ-UHFFFAOYSA-N 230.223 2.506 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])c(N)c(Br)c1C 40571610 RQBXDAJHWRFLQL-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA CC(C)Cc1sc(C(=O)O)cc1[N+](=O)[O-] 200565 AIKHGYHJDVBUOD-UHFFFAOYSA-N 229.257 2.553 5 50 BFBA O=[N+]([O-])c1ccc([C@H](O)c2ccccc2)cc1 3080639 VSPFOJXMIPUMEK-CYBMUJFWSA-N 229.235 2.677 5 50 BFBA COc1cc([N+](=O)[O-])c(Cl)cc1Cl 59470807 AWZSXENBQLPKOX-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA in-vitro CCCOc1c(F)cc([N+](=O)[O-])c(C)c1F 261494462 YEOWNIOMHDHUNQ-UHFFFAOYSA-N 231.198 2.970 5 50 BFBA CCCCOc1ncc([N+](=O)[O-])cc1Cl 261493505 CKYLJSHXIZTUFH-UHFFFAOYSA-N 230.651 2.822 5 50 BFBA Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1 2559133 MTGIKTMXZFIZLS-UHFFFAOYSA-N 207.016 2.605 5 50 BFBA in-vitro CC(C)=CC(=O)Nc1ccc([N+](=O)[O-])cc1C 4056712 VJJPGPZNGUBDDH-UHFFFAOYSA-N 234.255 2.808 5 50 BFBA CCCOc1cc(F)c([N+](=O)[O-])cc1F 145414288 WOEPXUKZDOTUPD-UHFFFAOYSA-N 217.171 2.662 5 50 BFBA CC[C@@H]1CCCC[C@]1(Br)[N+](=O)[O-] 958528342 NHGNNNZAFJETFY-SFYZADRCSA-N 236.109 2.955 5 50 BFBA CC(=O)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 4759423 RBYNSDLYWIQRQM-UHFFFAOYSA-N 228.635 2.515 5 50 BFBA Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 26894084 QQIQNKQBMWNOQV-UHFFFAOYSA-N 221.134 2.802 5 50 BFBA in-vitro O=[N+]([O-])/C=C/c1c[nH]c2cc(F)ccc12 2586019 STYSDPNMNYBCOU-ONEGZZNKSA-N 206.176 2.554 5 50 BFBA O=[N+]([O-])c1ccccc1N[C@@H]1CCCOCC1 86871748 YGWDTZHHUBHGNN-SNVBAGLBSA-N 236.271 2.576 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1Br 1081254 XFZFJQHXWJIBQV-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro CC(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 63806 HPRSUGKFHXSQOD-BQYQJAHWSA-N 248.282 2.523 5 50 BFBA Cc1ccc([N+](=O)[O-])c2c3c([nH]c12)C(=O)CCC3 365854 RMDNXQZWDMPKLO-UHFFFAOYSA-N 244.250 2.904 5 50 BFBA CC1(Nc2ncccc2[N+](=O)[O-])CC=CC1 585091269 HJMIOZKEDFOGCS-UHFFFAOYSA-N 219.244 2.510 5 50 BFBA O=[N+]([O-])c1ccc2c(cnn2[C@@H]2CCCCO2)c1 82048382 CXFMGDIFPKDLMQ-LBPRGKRZSA-N 247.254 2.644 5 50 BFBA Cc1c(F)cc([N+](=O)[O-])cc1Br 2541326 PTWYQLDIZKUNNC-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA O=[N+]([O-])c1ccccc1CC(F)(F)F 66323189 LMUDYZWHWMEFCA-UHFFFAOYSA-N 205.135 2.700 5 50 BFBA Cc1ccc(NCc2ncc(C)o2)c([N+](=O)[O-])c1 229328514 MICXXEFWHRDGMY-UHFFFAOYSA-N 247.254 2.812 5 50 BFBA O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1 56815 DNTHMWUMRGOJRY-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro C[N+](C)(C)C/C=C/Sc1ccccc1 3124986 KNYQHSRCXDFJBL-YRNVUSSQSA-N 208.350 2.999 5 50 BFBA Cc1ccc(Br)c(C)c1[N+](=O)[O-] 2173220 LHRGPLOPZIPERM-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA biogenic O=[N+]([O-])c1ccc(N[C@@H]2CCCOCC2)cc1 86871799 HZGHVDOOZXXHKB-SNVBAGLBSA-N 236.271 2.576 5 50 BFBA CC1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 5016813 NUGYXWMIKRMUHC-UHFFFAOYSA-N 248.282 2.644 5 50 BFBA O=[N+]([O-])c1cccc(OC(F)(F)F)c1F 85477136 VUOGBZMYTZNXTC-UHFFFAOYSA-N 225.097 2.633 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(-c2cc(F)ccc2F)cn1 675069524 HXWKOUWCDLBYEN-UHFFFAOYSA-N 236.177 2.935 5 50 BFBA O=[N+]([O-])c1ccc(Nc2ccccc2)nc1 4739854 NIPKIXLTWQXXEE-UHFFFAOYSA-N 215.212 2.733 5 50 BFBA in-vitro O=N[C@@]1(c2ccccc2)CCCC[C@@H]1[N+](=O)[O-] 4797099 SIZLMMPQQONKDM-NWDGAFQWSA-N 234.255 2.868 5 50 BFBA O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 56965 FXZTYDPWMQBTDH-UHFFFAOYSA-N 233.179 2.553 5 50 BFBA in-vitro CC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 150844 RMXFQPLULZFJMH-UHFFFAOYSA-N 205.169 2.544 5 50 BFBA in-vitro C[n+]1ccccc1/C=C/c1ccc([N+](=O)[O-])cc1 1594982 ACBYPCKIUCQSGR-VMPITWQZSA-N 241.270 2.590 5 50 BFBA C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4793966 VYISVITYUNAOFN-NSCUHMNNSA-N 240.646 2.763 5 50 BFBA [O-][n+]1c2ccccc2nc2c(Cl)cccc21 4831821 JPOAZIVOEAPFSK-UHFFFAOYSA-N 230.654 2.675 5 50 BFBA CC(C)COc1c(F)cc([N+](=O)[O-])cc1F 261493895 LNZYNCIATMYVDO-UHFFFAOYSA-N 231.198 2.908 5 50 BFBA COc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 98211001 VTEKQTICAABSKL-UHFFFAOYSA-N 237.133 2.502 5 50 BFBA O=C(O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 22201642 KJHPQSSQEOOQMU-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Cl)c(Cl)nc1Cl 39192914 KPXAMNWVBHLRRG-UHFFFAOYSA-N 227.434 2.950 5 50 BFBA O=Cc1nc2ccc(F)cc2c2ncccc12 2456097 HBYBJHQWFUCYQC-UHFFFAOYSA-N 226.210 2.735 5 50 BFBA CCCNc1ccc([N+](=O)[O-])cc1C(C)=O 1772572605 ZWZJIGAVNOZDHI-UHFFFAOYSA-N 222.244 2.619 5 50 BFBA C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 15443222 HFQNWLQOEOPCLA-SECBINFHSA-N 238.262 2.970 5 50 BFBA O=[N+]([O-])c1ccc(F)c(C(F)F)c1F 95147690 IMOYZCAZVXQNKJ-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA CC(C)(C)NSc1ccc([N+](=O)[O-])cc1 3122000 BDBVKFPHPVYMJW-UHFFFAOYSA-N 226.301 2.990 5 50 BFBA O=C(O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 32169655 SUHYJVCHLDIPIY-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA CCNc1cc(Br)ccc1[N+](=O)[O-] 39956326 CLDFNRWDFOWGLC-UHFFFAOYSA-N 245.076 2.789 5 50 BFBA in-vitro C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 4988963 ABVHBEYYUFWLQX-NSHDSACASA-N 234.299 2.969 5 50 BFBA O=[N+]([O-])c1cccc(C2O[C@H]3CCCC[C@@H]3O2)c1 30836426 FBLGHFGQOUTXPP-RYUDHWBXSA-N 249.266 2.951 5 50 BFBA CC(C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 57465003 XKQPTNNHSOZIEF-UHFFFAOYSA-N 243.646 2.813 5 50 BFBA CC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 290708 MMECJZSOKRPLJR-ZKXNXJMVSA-N 248.282 2.523 5 50 BFBA O=[N+]([O-])c1ccc(OCC2CC2)c(F)c1 95217838 AIVVKTAQUMNOFR-UHFFFAOYSA-N 211.192 2.523 5 50 BFBA CC(=O)Nc1cccc([N+](=O)[O-])c1C(F)(F)F 263623596 IWHHUULLLNRTEX-UHFFFAOYSA-N 248.160 2.572 5 50 BFBA O=[N+]([O-])c1cccc2c1ccn2C(F)F 129706634 UQMCEYWGNCCUAH-UHFFFAOYSA-N 212.155 2.945 5 50 BFBA O=[N+]([O-])c1ccc2ccnc(Cl)c2c1 82766587 HGIRABLPBGPANF-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro Cc1ccc(-c2ccc(C(=O)O)o2)cc1[N+](=O)[O-] 530150 XZMAYCJHNSAEHS-UHFFFAOYSA-N 247.206 2.861 5 50 BFBA biogenic O=[N+]([O-])c1ccccc1N1CCCCC1 3880540 WDAUAKBDZSYXEM-UHFFFAOYSA-N 206.245 2.585 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(OC2CCSCC2)cc1 169667265 LHRKFZWRGDJVRR-UHFFFAOYSA-N 239.296 2.869 5 50 BFBA C[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] 4693867 AZLFNGNCDBEDKJ-SNVBAGLBSA-N 248.282 2.609 5 50 BFBA CCOc1ccc([N+](=O)[O-])c2cccnc12 8306572 JIKDSYNTJROGHD-UHFFFAOYSA-N 218.212 2.542 5 50 BFBA O=[N+]([O-])c1c(N2CCCC2)ccc2ncccc12 38537321 BZCNGMQREVCLIF-UHFFFAOYSA-N 243.266 2.743 5 50 BFBA O=c1oc2cc([N+](=O)[O-])ccc2c2ccccc12 119401 KWGYGQPIDANWAX-UHFFFAOYSA-N 241.202 2.854 5 50 BFBA CC(C)Sc1nc2ccc([N+](=O)[O-])cc2[nH]1 611989 QJASXWUFDSCUHU-UHFFFAOYSA-N 237.284 2.972 5 50 BFBA O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1 1673020 PXSGFTWBZNPNIC-UHFFFAOYSA-N 208.000 2.607 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(F)c(OC(F)(F)F)c1F 396121511 VEKVBPGVBXIISL-UHFFFAOYSA-N 243.087 2.772 5 50 BFBA O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1 1556569 IVKKQTQLZURECG-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 4148809 HGOYOHNILBYFFX-UHFFFAOYSA-N 249.270 2.613 5 50 BFBA CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 449832 YACGXSVFWGUWKP-SECBINFHSA-N 236.271 2.513 5 50 BFBA O=[N+]([O-])c1cccc2nc(Cl)ccc12 1558219 IICVTJMDHNPPOP-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro Nc1ccc2nc3ccc(N)cc3[s+]c2c1 4261936 CBBMGBGDIPJEMI-UHFFFAOYSA-N 228.300 2.895 5 50 BFBA in-vitro O=[N+]([O-])c1c(Cl)ccc2cccnc12 332655 AHRUOBCIEORMLN-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA O=[N+]([O-])c1cc(C(F)F)c(F)cc1F 263624800 UIVJJUYYCTYWBE-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA CC[N+](CC)(CC)CC(F)(F)C(F)F 2525287 URYFWSOQIQWVLO-UHFFFAOYSA-N 216.242 2.763 5 50 BFBA C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 4988962 ABVHBEYYUFWLQX-LLVKDONJSA-N 234.299 2.969 5 50 BFBA Cn1c(=O)ccc2ccc3ccc(Cl)nc3c21 4557333 YXXDYYVBJXXVFC-UHFFFAOYSA-N 244.681 2.740 5 50 BFBA COC(=O)c1cccc2c([N+](=O)[O-])cccc12 45221786 VTWNAKCYACXMGI-UHFFFAOYSA-N 231.207 2.535 5 50 BFBA CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1393765 UDJZXVKELFROQH-UHFFFAOYSA-N 235.268 2.760 5 50 BFBA CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 13828017 OWZPCEFYPSAJFR-ZCFIWIBFSA-N 240.215 2.722 5 50 BFBA endogenous,in-man CNc1ccc(Br)c(C)c1[N+](=O)[O-] 223868521 VRIAPPJRLUEAOQ-UHFFFAOYSA-N 245.076 2.707 5 50 BFBA Cc1cccc(C(F)(F)F)c1[N+](=O)[O-] 2540366 JTXZOTTYGWMNGR-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro O=Cc1occc1-c1ccccc1[N+](=O)[O-] 334056 NJPDVTACRDEOLN-UHFFFAOYSA-N 217.180 2.667 5 50 BFBA CCCCOc1ccc(C=O)cc1[N+](=O)[O-] 2563909 XWQYYXDQELBGLI-UHFFFAOYSA-N 223.228 2.586 5 50 BFBA Nc1ccccc1Sc1ncccc1[N+](=O)[O-] 167837 KWHAFGBGJHCFIH-UHFFFAOYSA-N 247.279 2.723 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2nc(-c3ccco3)[nH]c2c1 9275649 VAOCIPZCVAFPGT-UHFFFAOYSA-N 229.195 2.731 5 50 BFBA COc1cc(C)cc([N+](=O)[O-])c1Br 72338574 NWEUWEZZJALKPB-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 120441 AJEAHBZZHSLIQP-UHFFFAOYSA-N 225.203 2.806 5 50 BFBA biogenic,in-vitro CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 1236715 ATHBGWVHAWGMAL-UHFFFAOYSA-N 235.195 2.518 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2nc(Cl)nc(Cl)c2c1 21992986 HGHPXBLOAQXDCO-UHFFFAOYSA-N 244.037 2.845 5 50 BFBA O=[N+]([O-])c1ccc2ccn(C(F)F)c2c1 378884777 KYHOLIHSLYTMSU-UHFFFAOYSA-N 212.155 2.945 5 50 BFBA Cc1cc(Br)c(F)cc1[N+](=O)[O-] 15443466 ZIULASDABKIDOV-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(-c2ccncc2)c1 247040 AFVBDOPDKXFXTN-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA O=[N+]([O-])c1ccc(Cc2ccncc2)cc1 2567872 MNHKUCBXXMFQDM-UHFFFAOYSA-N 214.224 2.581 5 50 BFBA in-vitro CC(C)Oc1ccc([N+](=O)[O-])c(F)c1F 205251297 OHFKTRAQKYGWHM-UHFFFAOYSA-N 217.171 2.660 5 50 BFBA O=C(Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1 4881533 FRLQBKOLKNVBJT-UHFFFAOYSA-N 249.270 2.509 5 50 BFBA O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1Cl 1694644 AGGUKALRPKAKSM-UHFFFAOYSA-N 236.998 2.810 5 50 BFBA O=[N+]([O-])c1cc(-c2csnn2)ccc1Cl 1387549 TWBAFKBPBSTOOX-UHFFFAOYSA-N 241.659 2.767 5 50 BFBA CC[n+]1c2ccccc2nc2ccccc21 4159279 LFCGYFQNFRGNKL-UHFFFAOYSA-N 209.272 2.695 5 50 BFBA in-vitro COc1ncccc1-c1ccc([N+](=O)[O-])cc1 74938344 KCYMPYFKVRUHJN-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA in-vitro COc1cc([N+](=O)[O-])c(C)cc1Br 1725960 JZBCPWGVPOVHAC-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA CC(C)(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 7781506 ZHVZYFLMBAHZKU-UHFFFAOYSA-N 247.254 2.942 5 50 BFBA in-vitro Cc1cnc(NC2CCCC2)c([N+](=O)[O-])c1 38537018 YNIYBBSUGKSEHS-UHFFFAOYSA-N 221.260 2.653 5 50 BFBA in-vitro O=C1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 77327645 XFZRVESZXNYATJ-JTQLQIEISA-N 219.240 2.822 5 50 BFBA O=[N+]([O-])c1ccc(OC(F)(F)F)c(F)c1 95494749 BLOJBECSYPNXRR-UHFFFAOYSA-N 225.097 2.633 5 50 BFBA in-vitro C[C@@H]1CC[C@@H](C)[C@](Br)([N+](=O)[O-])C1 958528948 ZNWNXXJVYFTNMJ-BWZBUEFSSA-N 236.109 2.810 5 50 BFBA Cc1cc(=O)oc2c1ccc1c(O)cccc12 396421 ICQJMFFQTDQTNL-UHFFFAOYSA-N 226.231 2.960 5 50 BFBA CSc1ccc(Cl)c([N+](=O)[O-])c1 2003735 UFLRXTNPCRROEB-UHFFFAOYSA-N 203.650 2.970 5 50 BFBA Cc1cccc(Br)c1[N+](=O)[O-] 2582770 XDKMDDOCVPNVMB-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 4901909 NOSIFMQBMHBVOS-UHFFFAOYSA-N 240.646 2.597 5 50 BFBA O=[N+]([O-])c1ccc(C2=C(O)CCCC2)nc1 100695838 YWXZIZDSDCDHMT-UHFFFAOYSA-N 220.228 2.833 5 50 BFBA CCOC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4041047 LPFZHMHGCBYDEJ-UHFFFAOYSA-N 244.634 2.817 5 50 BFBA Cc1cnc(OCc2ccccc2)c([N+](=O)[O-])c1 178284333 CGFNTBVTXZPSFU-UHFFFAOYSA-N 244.250 2.877 5 50 BFBA O=[N+]([O-])c1cnc(OC(F)F)c2ccccc12 642887144 QVRMXJGRYXZRAS-UHFFFAOYSA-N 240.165 2.744 5 50 BFBA CC(=O)Nc1ccc([N+](=O)[O-])c(C(C)(C)C)c1 4127976 ZAIPFJXYCCFOKU-UHFFFAOYSA-N 236.271 2.851 5 50 BFBA CC[C@H]1CCCC[C@]1(Br)[N+](=O)[O-] 958528343 NHGNNNZAFJETFY-YUMQZZPRSA-N 236.109 2.955 5 50 BFBA O=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-] 121139 RNFCQIOHQPIUOI-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA in-vitro C/C(=C\c1c[nH]c2ccc(F)cc12)[N+](=O)[O-] 142845454 QFGJTFSYAUYMSM-QPJJXVBHSA-N 220.203 2.945 5 50 BFBA Nc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F 4334568 SOMIWUJTMQGXJC-UHFFFAOYSA-N 240.568 2.849 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(CC(F)(F)F)c1 38996958 SHJFJTDWIOLJGC-UHFFFAOYSA-N 205.135 2.700 5 50 BFBA Cc1ccc([N+](=O)[O-])c(Br)c1C 345659 NTKIHVHEUWEYCW-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA CC1(C)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 22015187 QMLREMSIYSDXLO-JTQLQIEISA-N 234.255 2.579 5 50 BFBA CCOc1ccccc1/C=C(\C)[N+](=O)[O-] 442479 PQACPGNUJJIEOZ-CMDGGOBGSA-N 207.229 2.723 5 50 BFBA O=[N+]([O-])c1ccc2ccc([N+](=O)[O-])c3c2c1CC3 2388894 YGJBWUMCFHVIDR-UHFFFAOYSA-N 244.206 2.755 5 50 BFBA CCc1ccccc1CCn1cnc([N+](=O)[O-])c1 277499461 DMLNICPCZYWDFZ-UHFFFAOYSA-N 245.282 2.596 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=O)o1 444515 NEOFZCOCXUBURF-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA CC[C@H]1CCCC[C@@]1(Br)[N+](=O)[O-] 958528341 NHGNNNZAFJETFY-JGVFFNPUSA-N 236.109 2.955 5 50 BFBA Cc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-] 102042 JIPYZLJMJWGAAP-UHFFFAOYSA-N 248.282 2.576 5 50 BFBA O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1 1599315 ZYMCBJWUWHHVRX-UHFFFAOYSA-N 227.219 2.826 5 50 BFBA in-vitro CC1(C)C[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4957623 NZVFSWOONYHTTQ-QMMMGPOBSA-N 234.255 2.579 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccccc2CO)cc1 1556532 ACWFQKHPKYZHDM-UHFFFAOYSA-N 229.235 2.754 5 50 BFBA Cc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])o1 5267364 DDIAPZSIMIVACO-AATRIKPKSA-N 234.211 2.963 5 50 BFBA Cc1[nH]c2ccccc2c1/C=C/[N+](=O)[O-] 205451 DTSVTKXSWKXFDC-VOTSOKGWSA-N 202.213 2.724 5 50 BFBA in-vitro Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1 2010778 MFOBJFPOQKSSKE-UHFFFAOYSA-N 214.224 2.844 5 50 BFBA CC1(C)CCc2cc([N+](=O)[O-])ccc2O1 337275 OZLVJGQTADSUOQ-UHFFFAOYSA-N 207.229 2.698 5 50 BFBA in-vitro Cc1coc(-c2ccccc2[N+](=O)[O-])n1 15021306 XKVKKDJHKSYZSZ-UHFFFAOYSA-N 204.185 2.558 5 50 BFBA in-vitro COc1ccc([N+](=O)[O-])cc1NCc1ccco1 293422 LRCQQMLFTYCGEG-UHFFFAOYSA-N 248.238 2.809 5 50 BFBA CC1(C)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@]21C 245652 ZAIPATPNBOQDIP-AAEUAGOBSA-N 246.266 2.744 5 50 BFBA COc1cc([N+](=O)[O-])c(OC)c2ccccc12 337545 IHWOQQAKFDOWOZ-UHFFFAOYSA-N 233.223 2.765 5 50 BFBA CC(=O)c1cccc(Br)c1[N+](=O)[O-] 95930453 VDSHPCROLUAESO-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCCC1 3877844 QATZMIJXHKOELL-UHFFFAOYSA-N 226.663 2.848 5 50 BFBA Nc1ccc([N+](=O)[O-])cc1-c1ccccc1 4822614 WFBXYWYRLONTJK-UHFFFAOYSA-N 214.224 2.844 5 50 BFBA Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)n1 408171370 IJGTYQZETBLTHN-UWVGGRQHSA-N 249.314 2.699 5 50 BFBA CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc1c23 4031764 LUFORUWFIRPSHW-UHFFFAOYSA-N 242.234 2.728 5 50 BFBA CC1(C)CNc2cc([N+](=O)[O-])ccc2S1 4050454 NOEANMCVKSTVRY-UHFFFAOYSA-N 224.285 2.891 5 50 BFBA O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 56774 PCIHIUCCINHORT-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA in-vitro Nc1c(Oc2ccccc2)cccc1[N+](=O)[O-] 665887166 LQEIMNHONUTSLN-UHFFFAOYSA-N 230.223 2.969 5 50 BFBA Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-] 4240128 JLWRJMVXRUKFPA-UHFFFAOYSA-N 240.568 2.849 5 50 BFBA O=[N+]([O-])c1ccc(O)c(OCc2ccccc2)c1 71618099 STAAMFWKDIAVEO-UHFFFAOYSA-N 245.234 2.879 5 50 BFBA COc1ccc([N+](=O)[O-])c2c(C)c(C)oc12 1395454 TYJRNAWRIUWZFW-UHFFFAOYSA-N 221.212 2.966 5 50 BFBA O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1 2555220 PPYNEIXRXPMHLF-UHFFFAOYSA-N 221.134 2.536 5 50 BFBA in-vitro Cc1c(Br)ccc([N+](=O)[O-])c1C 19801517 PQSZBOYJFKZYQO-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2cnn(-c3ccccc3)c2c1 85661 WPJPMGSLYQKJSO-UHFFFAOYSA-N 239.234 2.934 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccco1 4700210 KTPQOUKFQUCYCP-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=[N+]([O-])c1cccc(NCc2ccc(O)cc2)c1 2156288 OTEHXZQXGJNJEX-UHFFFAOYSA-N 244.250 2.913 5 50 BFBA Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 4277449 AAMCWLIPRMIPBN-UHFFFAOYSA-N 240.568 2.849 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(F)c(Br)c1F 34139432 IQCPYFIIMNLQNU-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro O=C(O)c1cccc2c(=O)oc3ccccc3c12 4746968 ZJQQNTZSEIIVLU-UHFFFAOYSA-N 240.214 2.644 5 50 BFBA CC(C)(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1675818 KPARRRRVEGBOPI-UHFFFAOYSA-N 224.216 2.801 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccsc2)nc1 8730090 MFGDQOROSUNYHZ-UHFFFAOYSA-N 206.226 2.718 5 50 BFBA in-vitro Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N(C)C 5212025 WOEGUVOHYSUEME-UHFFFAOYSA-N 222.288 2.894 5 50 BFBA CC(C)Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 13658161 GDCGRBNWABDDJJ-UHFFFAOYSA-N 248.238 2.522 5 50 BFBA O=[N+]([O-])c1ccc(NCc2ccco2)c(F)c1 4568556 JUQXHCUKIODVAO-UHFFFAOYSA-N 236.202 2.939 5 50 BFBA Cc1csc([N+](=O)[O-])c1Br 252484327 FUKQQXLDONKPSQ-UHFFFAOYSA-N 222.063 2.727 5 50 BFBA CC(C)OC(=O)Nc1cccc([N+](=O)[O-])c1 1676479 FLLAOLGEPZPDGF-UHFFFAOYSA-N 224.216 2.552 5 50 BFBA Cc1cc(Br)cc([N+](=O)[O-])c1 4352719 MWFDNXJPZUOTJB-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro O=[N+]([O-])c1cc2oc(S)nc2cc1Cl 33559599 WIXQCWJAPLYTMK-UHFFFAOYSA-N 230.632 2.678 5 50 BFBA ON=c1c2ccccc2oc2ccccc12 4805116 QQUJLONUYMSZIJ-UHFFFAOYSA-N 211.220 2.876 5 50 BFBA biogenic O=c1c2c(oc3ccc([N+](=O)[O-])cc13)CCCC2 45027615 XHSBRCFYGKCZJO-UHFFFAOYSA-N 245.234 2.580 5 50 BFBA O=[N+]([O-])c1c(Br)ccc(F)c1F 2513895 QYDCWSXHLDNEBD-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA COc1cccc2c(=O)c3ccccc3[nH]c12 8616246 ZYEVJRPVZZGDRM-UHFFFAOYSA-N 225.247 2.690 5 50 BFBA CCOc1ccc([N+](=O)[O-])c(OCC)c1F 40571670 LYHGAMVNFWWUIC-UHFFFAOYSA-N 229.207 2.531 5 50 BFBA Cc1cc(N2CCCC2)ccc1[N+](=O)[O-] 44713473 UPSPVRUBINSVBS-UHFFFAOYSA-N 206.245 2.503 5 50 BFBA CCC[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 443710 MFQMRJYNQRRDSI-SECBINFHSA-N 236.271 2.970 5 50 BFBA O=[N+]([O-])c1ccccc1N1CCC2(CC2)C1 588040675 JXJFPKOCHNVANN-UHFFFAOYSA-N 218.256 2.585 5 50 BFBA CC1CCC(Br)([N+](=O)[O-])CC1 958527837 GDIWRWLQLVHLQM-UHFFFAOYSA-N 222.082 2.564 5 50 BFBA O=N[C@]1(c2ccccc2)CCCC[C@H]1[N+](=O)[O-] 4797106 SIZLMMPQQONKDM-NEPJUHHUSA-N 234.255 2.868 5 50 BFBA O=[N+]([O-])c1cccc2[nH]cc(Br)c12 2541449 VYQRPDVMVMLVHA-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA in-vitro CC(C)(c1ccc(N)cc1)C(C)(C)[N+](=O)[O-] 2141605 XOCNRLQJMZPTHX-UHFFFAOYSA-N 222.288 2.602 5 50 BFBA O=[N+]([O-])c1cccc2nccc(Cl)c12 39250015 DWKLLQSQXXCSEW-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro CCOc1ccc2nc3ccc(=O)cc-3oc2c1 3872522 CRCWUBLTFGOMDD-UHFFFAOYSA-N 241.246 2.692 5 50 BFBA biogenic,in-vitro O=[N+]([O-])c1cccc(OC(F)(F)C(F)F)c1 56738 NSXYRKKNVBEZDY-UHFFFAOYSA-N 239.124 2.832 5 50 BFBA O=c1ccc([N+](=O)[O-])ccc1Nc1ccccc1 4903596 IVEXJGKHRKGGKN-UHFFFAOYSA-N 242.234 2.699 5 50 BFBA CCCCc1ccc(C(=O)O)cc1[N+](=O)[O-] 1875391511 KWLJDYLRBBSILI-UHFFFAOYSA-N 223.228 2.636 5 50 BFBA CS/C(=C\[N+](=O)[O-])Nc1ccc(F)cc1 5211180 NTSJTUJGPDBKPP-TWGQIWQCSA-N 228.248 2.676 5 50 BFBA COc1c(C)cc([N+](=O)[O-])cc1Br 74937730 UXCQLNKFIBPGRC-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA in-vitro CC(C)CSc1ccc([N+](=O)[O-])cn1 261494101 PXAAXPVATPEFSQ-UHFFFAOYSA-N 212.274 2.738 5 50 BFBA CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1F 71618174 KTDUZCFVCPSEOM-UHFFFAOYSA-N 241.218 2.689 5 50 BFBA Oc1ccc(O)c2c(O)c3ccccc3c(O)c12 18032052 BKNBVEKCHVXGPH-UHFFFAOYSA-N 242.230 2.815 5 50 BFBA CCN1C(=O)C(C)(C)c2cc([N+](=O)[O-])cc(C)c21 57341396 AXOWQJSPUAUQKT-UHFFFAOYSA-N 248.282 2.547 5 50 BFBA COc1ccc([N+](=O)[O-])cc1C(C)(C)C 82594811 AIYZQINRDXVONY-UHFFFAOYSA-N 209.245 2.901 5 50 BFBA NCc1cccc2cc3cccc(CN)c3cc12 196017456 NTFMELQYTBAEQP-UHFFFAOYSA-N 236.318 2.910 5 50 BFBA CCOC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 4797599 OYCXNZSJXKZTSI-UHFFFAOYSA-N 238.243 2.780 5 50 BFBA C[C@@H]1CCc2nc(Cl)c([N+](=O)[O-])cc2C1 217546264 OQGOBDKZARWNKB-ZCFIWIBFSA-N 226.663 2.768 5 50 BFBA Cc1cc(O)c(C(F)(F)F)cc1[N+](=O)[O-] 263625113 WWCUJEBAOWOQMN-UHFFFAOYSA-N 221.134 2.628 5 50 BFBA Cc1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1 19203513 NLRFBTUMGBHDRH-UHFFFAOYSA-N 209.245 2.906 5 50 BFBA Cc1ccc([N+](=O)[O-])c(Br)c1 7023163 JXNZCXHQQAUHBJ-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro COc1cc(Br)c([N+](=O)[O-])cc1C 261507261 GXBSOAPODNIVDI-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA O=[N+]([O-])[C@@H]1CC=C[C@H](c2ccccc2)C1 44123138 BYRPHJMHUKSHSP-NWDGAFQWSA-N 203.241 2.766 5 50 BFBA CCCNCc1c(Cl)cccc1[N+](=O)[O-] 82582720 KDJUJASDQJNORY-UHFFFAOYSA-N 228.679 2.748 5 50 BFBA O=[N+]([O-])c1ccc(-c2nccs2)cc1 34087126 LGDOGDJADXLHLA-UHFFFAOYSA-N 206.226 2.718 5 50 BFBA in-vitro O=[N+]([O-])c1ccccc1CN1CCCCCC1 239338 GJENYKDLLKLFMN-UHFFFAOYSA-N 234.299 2.971 5 50 BFBA O=C(c1ccccc1)c1ccccc1[N+](=O)[O-] 4672161 UJHSIDUUJPTLDY-UHFFFAOYSA-N 227.219 2.826 5 50 BFBA in-vitro CC1(C)CCC[C@](Br)([N+](=O)[O-])C1 958528760 UIRSVAFNTUITKM-QMMMGPOBSA-N 236.109 2.955 5 50 BFBA Cc1cc(Br)c(F)c([N+](=O)[O-])c1 96024733 USAGAMCWHPIZIS-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA O=[N+]([O-])c1cccnc1OC1CCCCC1 67802473 UNXRQAMTHBWCSV-UHFFFAOYSA-N 222.244 2.701 5 50 BFBA CCOc1c(F)cc([N+](=O)[O-])cc1Cl 261493580 FBJRYBZMCNTKSQ-UHFFFAOYSA-N 219.599 2.786 5 50 BFBA COc1ccc2c(c1)[nH]c1c2nc2ccccn21 45067935 NQMXWLXGXRBVKM-UHFFFAOYSA-N 237.262 2.977 5 50 BFBA CCn1c2cc(=N)ccc-2nc2ccccc21 334156951 JHSATZZRYQFFRA-UHFFFAOYSA-N 223.279 2.640 5 50 BFBA O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 260713 SBVQWDFETIJLEC-UHFFFAOYSA-N 248.282 2.657 5 50 BFBA CC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 5847451 HPTQXZVPWMFRBA-UHFFFAOYSA-N 205.217 2.595 5 50 BFBA CC[C@H](C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 2166236 WJRXGXYMRWUFQF-LURJTMIESA-N 240.215 2.722 5 50 BFBA O=[N+]([O-])c1ccc(C(F)(F)F)nc1Cl 16158731 RBLRRZSRLXGELK-UHFFFAOYSA-N 226.541 2.662 5 50 BFBA in-vitro CCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1 4409528 FWMIXGBPRUFSQN-UHFFFAOYSA-N 238.243 2.943 5 50 BFBA Cc1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] 5046908 JXBACDHTUQBADB-UHFFFAOYSA-N 224.235 2.643 5 50 BFBA C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 215746 LWKZOWAGVYOREK-LLVKDONJSA-N 234.299 2.827 5 50 BFBA O=[N+]([O-])c1ccc(F)c(O[C@@H]2CCCCO2)c1 149174243 BVMJEMJOINPGBU-LLVKDONJSA-N 241.218 2.639 5 50 BFBA CC(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4824173 CLAAAWAMIUWEGS-UHFFFAOYSA-N 239.231 2.713 5 50 BFBA CCCCn1ccc(=O)c2cc([N+](=O)[O-])ccc21 1772574303 QLAKQYVRSHYVBB-UHFFFAOYSA-N 246.266 2.710 5 50 BFBA O=C1c2cc(F)ccc2-c2cc([N+](=O)[O-])ccc21 1699695 SJJPJCXEFJDRSM-UHFFFAOYSA-N 243.193 2.945 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1NCc1ccccn1 4685556 JSODHGWEELYLGL-UHFFFAOYSA-N 243.266 2.910 5 50 BFBA O=c1c(=O)c2c3ccccc3cc3cccc1c32 1765793 YAIBDWAANBTYIA-UHFFFAOYSA-N 232.238 2.742 5 50 BFBA in-vivo CCCOc1cc(F)c(C)cc1[N+](=O)[O-] 261493384 AAKJJTMEZCOFJW-UHFFFAOYSA-N 213.208 2.831 5 50 BFBA Nc1cc(Oc2ccccc2)ccc1[N+](=O)[O-] 4244893 DYTVCSKPYOHQAE-UHFFFAOYSA-N 230.223 2.969 5 50 BFBA CC(=O)Nc1ccc(C(C)C)cc1[N+](=O)[O-] 4798858 WLAXUTSOKMCHAP-UHFFFAOYSA-N 222.244 2.677 5 50 BFBA O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1 72635 SNBCSKCONKUZBA-UHFFFAOYSA-N 239.234 2.910 5 50 BFBA biogenic,in-vitro CC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2828348 KSFDCGOQDLHZHX-SSDOTTSWSA-N 240.234 2.719 5 50 BFBA O=[N+]([O-])c1c(F)cc(C(F)F)cc1F 263624831 UOKHCQMJOXWIOA-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA CCCCCCOC(=O)c1ccc([N+](=O)[O-])o1 2546499 XHMWHBXFXKPBDX-UHFFFAOYSA-N 241.243 2.925 5 50 BFBA Cc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 170461 HLNUPKJPTAHIEV-UHFFFAOYSA-N 212.592 2.698 5 50 BFBA in-vitro Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 3886933 PQMGRVXQAFKVMO-UHFFFAOYSA-N 229.239 2.921 5 50 BFBA in-vitro Cc1ccc([N+](=O)[O-])c(C)c1Br 39220383 KHZIUZUDLBDCMN-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro CC(C)c1cc(O)nc2ccc([N+](=O)[O-])cc12 584636315 WAPFHSYDMIRBIZ-UHFFFAOYSA-N 232.239 2.972 5 50 BFBA O=[N+]([O-])c1ccccc1Oc1ccccn1 53664 PHNFTSCWNQSBJW-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA COC(=O)c1cc([N+](=O)[O-])cc2ccccc12 1598525 QFUDSCNJHFVWIB-UHFFFAOYSA-N 231.207 2.535 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Br)cc2[nH]ccc12 14984600 OJCSAZREHRCISJ-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA O=[N+]([O-])c1ccc(NC2CCCC2)cc1 4115604 CBVVMRGBJNMFOX-UHFFFAOYSA-N 206.245 2.949 5 50 BFBA in-vitro COc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 45329490 KCOIUQMLFCNNAP-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro C/C(=C\c1c[nH]c2ccccc12)[N+](=O)[O-] 4539049 BPAQTDYDNBMYAM-SOFGYWHQSA-N 202.213 2.805 5 50 BFBA biogenic,in-vitro Cc1cc([N+](=O)[O-])ccc1OCC(F)(F)F 165984779 DKPXOGKKLKMSFR-UHFFFAOYSA-N 235.161 2.844 5 50 BFBA CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4795735 YXBYWAUTLXYFKA-UHFFFAOYSA-N 228.635 2.597 5 50 BFBA CC(C)(C)OCc1ccc([N+](=O)[O-])cc1 34622939 BRFYXVGVZPVEKE-UHFFFAOYSA-N 209.245 2.910 5 50 BFBA CC1(C)C[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4957622 NZVFSWOONYHTTQ-MRVPVSSYSA-N 234.255 2.579 5 50 BFBA O=[N+]([O-])c1cc(F)ccc1C(F)(F)F 21298379 RYWITRIDDKRWBT-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro O=Cc1cscc1-c1ncccc1[N+](=O)[O-] 334525 IZRIATVCRNIOIS-UHFFFAOYSA-N 234.236 2.531 5 50 BFBA COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 32213109 RBEXRIBHQSUANC-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(CN2CCCCCC2)o1 2811241 IGVINFPATHNRHE-UHFFFAOYSA-N 224.260 2.564 5 50 BFBA Cc1ccc2c(=O)c3c(O)cc(O)cc3oc2c1 26476477 USPLYEBEGSRMEJ-UHFFFAOYSA-N 242.230 2.666 5 50 BFBA biogenic O=[N+]([O-])c1ccc(F)cc1C(F)(F)F 56816 WMQOSURXFLBTPC-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(NCc2ccccc2)nc1 19372697 DPOYSZDFYVXWFW-UHFFFAOYSA-N 229.239 2.602 5 50 BFBA in-vitro Cc1cc(Br)c([N+](=O)[O-])cc1F 38537142 GQKJGQRSKKRVSO-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro Cc1cc(C)nc(Oc2ccccc2[N+](=O)[O-])n1 244681 SRUSUVKERCLPAK-UHFFFAOYSA-N 245.238 2.794 5 50 BFBA c1ccc2nc3cc4[nH]cnc4cc3nc2c1 6045739 DANKXLZZVSVLCY-UHFFFAOYSA-N 220.235 2.659 5 50 BFBA C[N+]1(Cc2ccccc2)C[C@@H]2CC(=O)C[C@@H](C2)C1 72194371 OLHVHZNBHXEFMT-FKEKPDDDSA-N 244.358 2.632 5 50 BFBA COc1ccc([N+](=O)[O-])c(F)c1OC(C)C 261494007 NYKFRCRNOXHRGY-UHFFFAOYSA-N 229.207 2.530 5 50 BFBA CC(C)(C)OC(=O)c1ccccc1[N+](=O)[O-] 6906269 DRGCBGCMYGTVIB-UHFFFAOYSA-N 223.228 2.550 5 50 BFBA in-vitro Cc1ccc([N+](=O)[O-])c(C)c1-n1cccc1C=O 336326 IFILFTCBAPNCIL-UHFFFAOYSA-N 244.250 2.815 5 50 BFBA Cc1ccc([N+](=O)[O-])c2c1CC(C)(C)O2 4110378 BDZOGCZCVGCFSC-UHFFFAOYSA-N 207.229 2.617 5 50 BFBA Nc1ccc2cc3ccc(N)cc3nc2c1 3775644 WDVSHHCDHLJJJR-UHFFFAOYSA-N 209.252 2.552 5 50 BFBA biogenic,fda O=[N+]([O-])c1ccc(-c2ccc(F)cc2)nc1 3883965 IXAGUEHBMXZMNQ-UHFFFAOYSA-N 218.187 2.796 5 50 BFBA CC[N+](CC)(CC)Cc1ccc([N+](=O)[O-])o1 6791537 WKOMXWHYBHGFRG-UHFFFAOYSA-N 227.284 2.564 5 50 BFBA COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 4189877 DFDFYFLMTLEXBP-UHFFFAOYSA-N 245.238 2.742 5 50 BFBA COc1ccc(Nc2ccncc2[N+](=O)[O-])cc1 4036530 OMEVNEQOORPVLT-UHFFFAOYSA-N 245.238 2.742 5 50 BFBA CC[C@@H](C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 2166234 WJRXGXYMRWUFQF-ZCFIWIBFSA-N 240.215 2.722 5 50 BFBA O=c1c(=O)c2cccc3ccc4cccc1c4c32 2172036 JKCATVQPENLMQJ-UHFFFAOYSA-N 232.238 2.742 5 50 BFBA in-vitro CN(C)c1cc([N+](=O)[O-])ccc1C(C)(C)C 345890 DONCIXRRKYAHIA-UHFFFAOYSA-N 222.288 2.958 5 50 BFBA O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCC1 2164608 FLBUQPHHRNXJQU-UHFFFAOYSA-N 249.270 2.613 5 50 BFBA c1cnc2c(c1)c1nccnc1c1cccnc12 36419479 IBOSPAWVGHGUAV-UHFFFAOYSA-N 232.246 2.726 5 50 BFBA CCc1c(C)[nH]c2ccc([N+](=O)[O-])cc12 83085 QMERMWACWLHWSF-UHFFFAOYSA-N 204.229 2.947 5 50 BFBA CC(=O)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 3883264 KEELZFXRQAZCJA-UHFFFAOYSA-N 228.635 2.515 5 50 BFBA in-vitro O=[N+]([O-])c1cc(-c2ccccc2)ccc1O 35575724 JDDNJJBXFOLPKX-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA in-vitro CCCCOc1nccc([N+](=O)[O-])c1Cl 261493614 FXNBVJKBCHVBMR-UHFFFAOYSA-N 230.651 2.822 5 50 BFBA C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 1440284 NEJWOMPFLAWSBD-JTQLQIEISA-N 248.282 2.609 5 50 BFBA O=[N+]([O-])c1cccc(CNC2CCCC2)c1 4700715 QUQQPZINNSKFTE-UHFFFAOYSA-N 220.272 2.627 5 50 BFBA in-vitro CCCOc1c(F)cc([N+](=O)[O-])cc1F 261494435 XOMPIDWAHSVALA-UHFFFAOYSA-N 217.171 2.662 5 50 BFBA CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F 2064352 IVVMMUQHQWENHP-UHFFFAOYSA-N 240.234 2.863 5 50 BFBA O=[N+]([O-])c1ccc(C[C@H](O)c2ccccc2)cc1 4557352 MEWODLZYZUQZST-AWEZNQCLSA-N 243.262 2.871 5 50 BFBA Cc1c(O)ccc2c1oc(=O)c1ccccc12 5921519 LAVHXGNOROFSCU-UHFFFAOYSA-N 226.231 2.960 5 50 BFBA in-vivo O=[N+]([O-])c1ccc(NC2CC2)c(Cl)c1 20546729 FUTFNWDOMRLGQG-UHFFFAOYSA-N 212.636 2.823 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)C 4420498 ITXZNXVONIWDSH-UHFFFAOYSA-N 236.271 2.888 5 50 BFBA O=[N+]([O-])c1cc(Cl)cc(N2CCCC2)c1 261493854 KTJTXJOUUHSGOD-UHFFFAOYSA-N 226.663 2.848 5 50 BFBA O=[N+]([O-])c1ccc(NCCc2cccs2)nc1 18247494 SIMRLRODPORBCQ-UHFFFAOYSA-N 249.295 2.706 5 50 BFBA CCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4688056 PSHCYXUUYNZLLE-UHFFFAOYSA-N 235.287 2.627 5 50 BFBA O=c1c2ccccc2[nH]c2ccc(F)cc12 13497486 DNGYUVWGPVXTCR-UHFFFAOYSA-N 213.211 2.820 5 50 BFBA CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])s1 94755563 BEWAPSFNODYQCW-UHFFFAOYSA-N 229.257 2.612 5 50 BFBA CC(=O)c1ccc(C2CC2)c([N+](=O)[O-])c1 188393 SCZBBDPDZJQEIA-UHFFFAOYSA-N 205.213 2.675 5 50 BFBA C[N+](C)(C)[C@@H]1C=C(c2ccccc2)C=CCOC1 104278980 OTCJDERYQNGWSC-MRXNPFEDSA-N 244.358 2.731 5 50 BFBA O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@@H]2O 1716264 SRAZCUGEAYIAKK-ZDUSSCGKSA-N 227.219 2.657 5 50 BFBA CCc1ccc([N+](=O)[O-])cc1Br 91363985 VLKVKCJZMXUFSL-UHFFFAOYSA-N 230.061 2.920 5 50 BFBA O=[N+]([O-])c1cncc(Cl)c1OCC1CCC1 253417613 DDLDXUZHMXLZTH-UHFFFAOYSA-N 242.662 2.822 5 50 BFBA Cc1cc(=O)[nH]c2c1ccc1ccccc12 17131011 ZMXBCQZLZQUSEA-UHFFFAOYSA-N 209.248 2.990 5 50 BFBA C[n+]1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1 287858 XLXQZNQBRUMMPI-AATRIKPKSA-N 241.270 2.590 5 50 BFBA O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 300832 TXZVRLLCMSPNOH-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1 103330 VWIRWLAPFZXYSL-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA biogenic,in-vitro CCC1CCC(Br)([N+](=O)[O-])CC1 958527637 CFYXVOQVOSLFQH-UHFFFAOYSA-N 236.109 2.955 5 50 BFBA O=[N+]([O-])c1ccc2[nH]c(C3CC3)cc2c1 116250799 NCVBOWNCUZNLBX-UHFFFAOYSA-N 202.213 2.954 5 50 BFBA O=[N+]([O-])c1ccc2c(cnn2[C@H]2CCCCO2)c1 82048384 CXFMGDIFPKDLMQ-GFCCVEGCSA-N 247.254 2.644 5 50 BFBA O=[N+]([O-])c1ccnc(OC2CCCC2)c1Cl 261493498 CGFHTRPZALXZFT-UHFFFAOYSA-N 242.662 2.965 5 50 BFBA CCSc1ccc([N+](=O)[O-])cc1C=O 82612282 ILIVVWYUIJDPKM-UHFFFAOYSA-N 211.242 2.519 5 50 BFBA O=[N+]([O-])c1cccc2ccc(Cl)nc12 235931 RVJHLZFALCBCIW-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])c(C)cc1Br 345427 LGWQRRHGAQXGGS-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 13828020 OWZPCEFYPSAJFR-LURJTMIESA-N 240.215 2.722 5 50 BFBA endogenous,in-man CCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 38537050 SQJSMRSHJOWWNR-UHFFFAOYSA-N 247.254 2.987 5 50 BFBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C)C2)n1 408171369 IJGTYQZETBLTHN-NXEZZACHSA-N 249.314 2.699 5 50 BFBA O=[N+]([O-])c1cc(F)c(F)c(Br)c1 2384137 MGMBTDXCNDOKOP-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 3130693 OLLUNZWUZPGEFP-MRVPVSSYSA-N 249.270 2.515 5 50 BFBA CNc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 4688231 WQIZUZPGLGNQOU-UHFFFAOYSA-N 235.287 2.627 5 50 BFBA Cc1ccc(NC(=O)c2ccco2)cc1[N+](=O)[O-] 2166172 PWFRDPYHWSTKFF-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA CCCCn1nc(C(F)(F)F)cc1[N+](=O)[O-] 261494178 RNGGSJKQPIICOK-UHFFFAOYSA-N 237.181 2.610 5 50 BFBA Cc1cccc2c(=O)c3c(O)cc(O)cc3oc12 8510804 KRVDRUAUZUPZQV-UHFFFAOYSA-N 242.230 2.666 5 50 BFBA biogenic O=[N+]([O-])c1ccccc1OCC(F)(F)F 2555219 DLJUDLUVULSXDS-UHFFFAOYSA-N 221.134 2.536 5 50 BFBA in-vitro CCCc1nc2ccc([N+](=O)[O-])cc2o1 3883722 MQQPDIMYKKCHMW-UHFFFAOYSA-N 206.201 2.689 5 50 BFBA in-vitro O=[N+]([O-])c1ccccc1CNC1CCCC1 294262 JMTSOBGTJCORHV-UHFFFAOYSA-N 220.272 2.627 5 50 BFBA in-vitro O=[N+]([O-])c1cccnc1NC1CCCCC1 20135263 BIUAMPCRIUHXSB-UHFFFAOYSA-N 221.260 2.734 5 50 BFBA in-vitro O=C(OCc1ccco1)c1cccc([N+](=O)[O-])c1 2519820 UDWYVFPNPWPCKN-UHFFFAOYSA-N 247.206 2.545 5 50 BFBA Cc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1 57899 ZLEPGHSDFWBORW-UHFFFAOYSA-N 239.614 2.663 5 50 BFBA biogenic O=[N+]([O-])c1ccc2c(Cl)ncc(F)c2c1 261507054 DTZXAVNJIULHPG-UHFFFAOYSA-N 226.594 2.936 5 50 BFBA CC(C)=CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4056711 XQGFJSQMNZYKNR-UHFFFAOYSA-N 234.255 2.808 5 50 BFBA CC1(C)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 22015183 QMLREMSIYSDXLO-SNVBAGLBSA-N 234.255 2.579 5 50 BFBA COc1cccc(NCc2ccco2)c1[N+](=O)[O-] 134900413 DKGBCCRSYFYKLC-UHFFFAOYSA-N 248.238 2.809 5 50 BFBA CCOc1ccc([N+](=O)[O-])c(F)c1Cl 261494092 PQSBOHLYBXZSHO-UHFFFAOYSA-N 219.599 2.786 5 50 BFBA O=[N+]([O-])c1cccc2c(Cl)nccc12 6567593 ABMIIJPKPFSMLK-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)cc(OCC(F)(F)F)c1 87799883 LMDPCLFEQVBSPQ-UHFFFAOYSA-N 239.124 2.675 5 50 BFBA COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 56686 NCPVPJVRLLHBEL-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro COc1cccc2c(=O)c3ccccc3oc12 4029727 SYEHHMRXODULBY-UHFFFAOYSA-N 226.231 2.955 5 50 BFBA biogenic O=[N+]([O-])c1cc(Cl)ccc1NC1CC1 21008209 RLRZFCKJIBVRIJ-UHFFFAOYSA-N 212.636 2.823 5 50 BFBA in-vitro CC(C)(C)CC(=O)Nc1ccccc1[N+](=O)[O-] 4834010 HFTACXAZIJCWNS-UHFFFAOYSA-N 236.271 2.970 5 50 BFBA CCCOc1ccc([N+](=O)[O-])c(NCC)c1 95494792 AXZQPITYUPBEBF-UHFFFAOYSA-N 224.260 2.815 5 50 BFBA O=[N+]([O-])c1ccc2nc(Cl)ccc2c1 20285820 FQYXTVZGTFWRGD-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA COc1ccc2ccccc2c1[N+](=O)[O-] 162151 XDNSKIDXVJNJFO-UHFFFAOYSA-N 203.197 2.757 5 50 BFBA O=[N+]([O-])c1ccc([C@@H](O)c2ccccc2)cc1 3080638 VSPFOJXMIPUMEK-ZDUSSCGKSA-N 229.235 2.677 5 50 BFBA CC(C)c1nccn1-c1ccc([N+](=O)[O-])cc1 4626348 HPXFONXFOUFRTP-UHFFFAOYSA-N 231.255 2.904 5 50 BFBA Cc1cc(F)c([N+](=O)[O-])cc1Br 34117563 VMXDJIHJOUZBAW-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro O=[N+]([O-])c1c(O)ccc(Cl)c1C(F)(F)F 115059957 MVOGBOJCLWRHJU-UHFFFAOYSA-N 241.552 2.973 5 50 BFBA in-vitro CC(C)COc1cccc([N+](=O)[O-])c1F 261493397 AHMAFDFHUGDOQD-UHFFFAOYSA-N 213.208 2.769 5 50 BFBA COc1c(Cl)cc(C)c(C)c1[N+](=O)[O-] 35287577 GOWCECJJUFPZFF-UHFFFAOYSA-N 215.636 2.874 5 50 BFBA in-vitro CC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] 4329279 GHRUYAUJXUKPFU-UHFFFAOYSA-N 212.224 2.944 5 50 BFBA C[C@@H]1CC(C)(C)C[C@]1(Br)[N+](=O)[O-] 958528102 JNOYXMSCJOJZJV-SVRRBLITSA-N 236.109 2.810 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 30715013 NWCDDUFGSQYJRM-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro Cc1cc(S[C@H]2CCOC2)ccc1[N+](=O)[O-] 335389270 DTZFQKOCIUPDGO-JTQLQIEISA-N 239.296 2.784 5 50 BFBA Nc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] 166816221 KRTQZQWXBLOTSY-UHFFFAOYSA-N 238.190 2.789 5 50 BFBA Cc1cc(Br)cc([N+](=O)[O-])c1C 14985662 HPXSPJGSFHLODM-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro COc1cc([N+](=O)[O-])ccc1C(F)(F)F 32911338 UDEARCRKLPPYAU-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro NCc1ccc2ccc3ccccc3c2n1 141718641 DTWJGAQTCZPPJI-UHFFFAOYSA-N 208.264 2.847 5 50 BFBA O=[N+]([O-])c1cccc2c(Br)c[nH]c12 2583878 ZJCDMQUXOJHHBJ-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(CN2CCCCCC2)c1 238428 UZUKQVQCBQYHIT-UHFFFAOYSA-N 234.299 2.971 5 50 BFBA CCNc1ccc(Cl)cc1[N+](=O)[O-] 4013023 PVIUZYZWJNQCIR-UHFFFAOYSA-N 200.625 2.680 5 50 BFBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 2643604 CVAGAKKNRNKPTP-UHFFFAOYSA-N 240.646 2.597 5 50 BFBA O=[N+]([O-])c1cc(-c2ccn[nH]2)ccc1Cl 3883111 VRIZLQCYTFMVBD-UHFFFAOYSA-N 223.619 2.638 5 50 BFBA O=[N+]([O-])c1cc(C(F)F)cc(F)c1F 263625411 ZRJRRDWUSOAYAP-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA CC[C@@H]1CCCC[C@@]1(Br)[N+](=O)[O-] 958528340 NHGNNNZAFJETFY-HTQZYQBOSA-N 236.109 2.955 5 50 BFBA CCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 38536940 ODAKJMUOVQDEPQ-UHFFFAOYSA-N 233.227 2.597 5 50 BFBA in-vitro CCOc1cccc(Br)c1[N+](=O)[O-] 97756635 IJWUNCHTEAEIGD-UHFFFAOYSA-N 246.060 2.756 5 50 BFBA Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 80338 BOFVBIYTBGDQGY-UHFFFAOYSA-N 214.224 2.844 5 50 BFBA in-vitro C[C@H]1CCC[C@](Br)([N+](=O)[O-])C1 958528084 JEXFSSKMWRJWCX-BQBZGAKWSA-N 222.082 2.564 5 50 BFBA CC(C)COc1c(F)ccc([N+](=O)[O-])c1F 261494346 VKULLUFNFFEWPK-UHFFFAOYSA-N 231.198 2.908 5 50 BFBA Cc1cc(-c2ccc(C=O)o2)ccc1[N+](=O)[O-] 62735 OBSLQEOBIXBPNL-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1384329 VFERJFHPHSUIHY-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro Cc1c([N+](=O)[O-])cc(Cl)c(O)c1Cl 15810050 BIXNDXIFMLMASZ-UHFFFAOYSA-N 222.027 2.916 5 50 BFBA in-vitro CCOc1ccc(Br)cc1[N+](=O)[O-] 38537090 NIRPAGRQTPHRCJ-UHFFFAOYSA-N 246.060 2.756 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2nc(Cl)sc2c1 369805 KUCSJGBXJBQHNI-UHFFFAOYSA-N 214.633 2.858 5 50 BFBA in-vitro Cc1cc(=O)[nH]c2ccc3ccccc3c12 8659499 XAJUVLVWVRQARN-UHFFFAOYSA-N 209.248 2.990 5 50 BFBA O=[N+]([O-])c1ccc2c(c1)OC1(CCCC1)O2 124785 ZCRQRXNOUOCURO-UHFFFAOYSA-N 221.212 2.636 5 50 BFBA O=[N+]([O-])c1ccc2sc(Cl)nc2c1 34544048 BSHJRTMGKFPQGZ-UHFFFAOYSA-N 214.633 2.858 5 50 BFBA in-vitro CCCCOc1ccc(F)c([N+](=O)[O-])c1 261493846 KPJSPJGNRHRZRR-UHFFFAOYSA-N 213.208 2.913 5 50 BFBA COc1ccc(C(F)(F)F)c(F)c1[N+](=O)[O-] 261494328 VBGANCFWUHJLBL-UHFFFAOYSA-N 239.124 2.761 5 50 BFBA O=[N+]([O-])c1cccnc1Sc1ccccn1 166640 OSPAXJFFIAJUBQ-UHFFFAOYSA-N 233.252 2.536 5 50 BFBA Nc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 60240124 WBSSIOAVAMIQPP-UHFFFAOYSA-N 244.250 2.756 5 50 BFBA Nc1cccc(Sc2ncccc2[N+](=O)[O-])c1 83251944 INXMXWBPEWYKII-UHFFFAOYSA-N 247.279 2.723 5 50 BFBA CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2c1 345510 JQDVJEDWLMLZOR-UHFFFAOYSA-N 230.223 2.706 5 50 BFBA Cc1cc([N+](=O)[O-])cc(C)c1OC(C)C 261493945 MJCKVUXSZXJHPW-UHFFFAOYSA-N 209.245 2.999 5 50 BFBA Cc1ccoc1C(=O)Nc1cccc([N+](=O)[O-])c1 40569 SNYKECRTWRQOEF-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA CCOc1ccc(Cl)cc1[N+](=O)[O-] 1684383 SKMDJPLCXWZTCN-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA CC1(C)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@]21C 100286810 ZAIPATPNBOQDIP-YPMHNXCESA-N 246.266 2.744 5 50 BFBA Cn1ccnc1SCc1ccc([N+](=O)[O-])cc1 105678 DHENTHFHRBNJQZ-UHFFFAOYSA-N 249.295 2.621 5 50 BFBA CCn1c(C)nc2cc(Cl)c([N+](=O)[O-])cc21 1726433 JGXSFOOEUYARMC-UHFFFAOYSA-N 239.662 2.926 5 50 BFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl 1651867 ZPXDNSYFDIHPOJ-UHFFFAOYSA-N 236.998 2.810 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1Br 2526723 FCYPTYIIKJMNJZ-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2 1687565 VFTOHJFKIJLYKN-UHFFFAOYSA-N 227.219 2.872 5 50 BFBA in-vitro N=C(c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 4015659 JZHRREPFVMRCNM-UHFFFAOYSA-N 247.298 2.796 5 50 BFBA CCCCCNC(=O)c1ccccc1[N+](=O)[O-] 4144950 KEAXJZLSNYFSJE-UHFFFAOYSA-N 236.271 2.515 5 50 BFBA CC1(C)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@]21C 245654 ZAIPATPNBOQDIP-DGCLKSJQSA-N 246.266 2.744 5 50 BFBA Cc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 6999129 ZOZCXFUMHHBNRH-UHFFFAOYSA-N 220.272 2.894 5 50 BFBA O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1 2569267 OPEZLLCPUDLUFV-UHFFFAOYSA-N 226.541 2.662 5 50 BFBA CCN(CC)c1ccc([N+](=O)[O-])c2cccnc12 3880713 WDZOOWQENASWEG-UHFFFAOYSA-N 245.282 2.989 5 50 BFBA Cc1cc([N+](=O)[O-])c(C)c(Br)c1N 4088501 WHMZMKNGDCATMS-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA Cc1nn(Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 373467 LCSLSZSYPNNJLW-UHFFFAOYSA-N 249.245 2.596 5 50 BFBA O=[N+]([O-])/C=C/c1cccn1-c1ccc(F)cc1 452995 OZVQDIHRKPRPOR-VQHVLOKHSA-N 232.214 2.864 5 50 BFBA Cc1c(-n2cccc2)cccc1[N+](=O)[O-] 468529 ZXAGPRVGBUFYEM-UHFFFAOYSA-N 202.213 2.694 5 50 BFBA CC(=O)Oc1ccc2oc(C)c([N+](=O)[O-])c2c1 4019963 BZWGFTAPYPNJAJ-UHFFFAOYSA-N 235.195 2.575 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 45886336 GZSFASKZOQCLAM-UHFFFAOYSA-N 220.272 2.894 5 50 BFBA CC(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 4284690 ZEGRPTYRAGSSBH-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA in-vitro CCCCCC(=O)Nc1ncc([N+](=O)[O-])s1 5432500 YRLOBRGEGAIJJY-UHFFFAOYSA-N 243.288 2.570 5 50 BFBA CCN(CC)Cc1cc(F)ccc1[N+](=O)[O-] 51589465 TUFMPTJXMHZCEN-UHFFFAOYSA-N 226.251 2.576 5 50 BFBA O=[N+]([O-])c1cccnc1-c1ccccc1 14983477 GEALTJGFPPNOJE-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA in-vitro COc1c([N+](=O)[O-])cccc1C(F)(F)F 16159328 UZQBIPDAXBSVOV-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA in-vitro COc1ccc(C)c([N+](=O)[O-])c1Br 82046437 RVMCUIFFXJLYHP-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA O=[N+]([O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 59796753 NQFUUIZLJHEWSP-UHFFFAOYSA-N 236.105 2.522 5 50 BFBA CCC[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 443711 MFQMRJYNQRRDSI-VIFPVBQESA-N 236.271 2.970 5 50 BFBA O=[N+]([O-])c1cc(OC(F)F)ccc1Cl 117973013 SRFJOKOAYBGSMI-UHFFFAOYSA-N 223.562 2.850 5 50 BFBA Cc1ccc([C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 36474519 WLLRTSHYPQWMGE-AWEZNQCLSA-N 243.262 2.985 5 50 BFBA O=[N+]([O-])c1ccc(OCc2ccccc2)nc1 78306 LDSNUJNCJUGMKS-UHFFFAOYSA-N 230.223 2.569 5 50 BFBA CC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 3884163 JPQPPQDNFZASSM-UHFFFAOYSA-N 248.282 2.788 5 50 BFBA C[C@@H]1C[C@@H](C)CC(Br)([N+](=O)[O-])C1 958528507 PGESZJYBNYZQLK-RNFRBKRXSA-N 236.109 2.810 5 50 BFBA O=[N+]([O-])c1c(F)cccc1NN1CCCCC1 148267498 VAOSLHLDVLDGKN-UHFFFAOYSA-N 239.250 2.547 5 50 BFBA CC[N+](CC)(CC)CC[N+]1(CC)CCCCC1 1775971019 MKHYNFRHULJVMC-UHFFFAOYSA-N 242.451 2.884 5 50 BFBA C[N+](C)(C)c1ccc([N+]2(C)CCCC2)cc1 1857798416 FXOFGCYJTYZJPG-UHFFFAOYSA-N 220.360 2.614 5 50 BFBA O=[N+]([O-])c1ccc(F)c(O[C@H]2CCCCO2)c1 149174446 BVMJEMJOINPGBU-NSHDSACASA-N 241.218 2.639 5 50 BFBA CCOc1c(O)cc([N+](=O)[O-])c2ccccc12 1857783175 WRZBGARXRXIACX-UHFFFAOYSA-N 233.223 2.852 5 50 BFBA CCOc1cc([N+](=O)[O-])ccc1Br 2511694 ZALXYXWTUXLPBJ-UHFFFAOYSA-N 246.060 2.756 5 50 BFBA in-vitro CCOc1ncc([N+](=O)[O-])c2ccccc12 32252726 ALSLVLBKRHXPGR-UHFFFAOYSA-N 218.212 2.542 5 50 BFBA CCOc1c(F)cc([N+](=O)[O-])c(OCC)c1F 40571655 YTXVTQIMBMACMO-UHFFFAOYSA-N 247.197 2.670 5 50 BFBA O=[N+]([O-])c1cccc(CN2CCCCC2)c1 39191702 LRYVKFIOQOXESJ-UHFFFAOYSA-N 220.272 2.581 5 50 BFBA CN(C)C(=O)Sc1ccc(F)cc1[N+](=O)[O-] 94986265 HWNDWJGQDBYFCP-UHFFFAOYSA-N 244.247 2.508 5 50 BFBA CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1F 113364478 CGOODLQYGNBCGQ-UHFFFAOYSA-N 217.583 2.590 5 50 BFBA in-vitro CCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 3040108 DWWFBYYDAZFIQT-UHFFFAOYSA-N 222.244 2.642 5 50 BFBA O=[N+]([O-])c1ccc2nn(-c3ccccc3)cc2c1 5024305 YOEXSNSVJTVIRI-UHFFFAOYSA-N 239.234 2.934 5 50 BFBA CCCCOc1cc(F)ccc1[N+](=O)[O-] 74937713 KFNYFOBLEIPMEZ-UHFFFAOYSA-N 213.208 2.913 5 50 BFBA in-vitro O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1F 91252363 CRJRIPYSOOEORJ-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA in-vitro O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 225292 KCBREZOWOLOPLW-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA in-vitro Cc1cc([N+](=O)[O-])c(F)cc1Br 74937849 RYWJXYWJUJFEMD-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro Cc1ccc([N+](=O)[O-])c(N2CCC3(CC3)C2)c1 588040552 CSJCBIGMUDCGML-UHFFFAOYSA-N 232.283 2.894 5 50 BFBA CCOc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4406376 CLKYOSYIYKJBSC-UHFFFAOYSA-N 236.271 2.594 5 50 BFBA CCCCCOC(=O)[C@H](C)CC[C@@H](C)[N+](=O)[O-] 45068436 NNDVZLCYXYHVRL-GHMZBOCLSA-N 245.319 2.801 5 50 BFBA Cc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] 450343 ZZQWVTAUNMQOEW-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA CC(=O)c1cc(Br)ccc1[N+](=O)[O-] 35322943 AFDAUYYWZNNSFV-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA in-vitro O=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 302738 AWEQCEQGLOPOFZ-UHFFFAOYSA-N 244.206 2.595 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1 554515 MOEXDNQYXBIZPC-UHFFFAOYSA-N 247.206 2.861 5 50 BFBA CC(C)(C)c1ccc(C(=O)O)c([N+](=O)[O-])c1 345409 WVADEHDXGNQZNV-UHFFFAOYSA-N 223.228 2.591 5 50 BFBA O=[N+]([O-])c1cccnc1Nc1ccccc1 5390994 PCCSYAWZVABITQ-UHFFFAOYSA-N 215.212 2.733 5 50 BFBA in-vitro CC(=O)n1c(C)c(C)c2cc([N+](=O)[O-])ccc21 3123097 BOMPCFUMDKLVNU-UHFFFAOYSA-N 232.239 2.826 5 50 BFBA Cc1cc([N+](=O)[O-])cc(Br)c1C 40571607 DJPUAFNNWHOYMH-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA in-vitro COc1ccc(-c2cccc([N+](=O)[O-])c2)cn1 85483714 JTXKPXRKYGEWHT-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA in-vitro Cc1c([N+](=O)[O-])cc(Cl)nc1Cl 575442102 HSINFMDETPIEIM-UHFFFAOYSA-N 207.016 2.605 5 50 BFBA CC1(C)COC(/C=C/c2ccc([N+](=O)[O-])cc2)=N1 196385 LPVWEORWKBYMBI-VMPITWQZSA-N 246.266 2.815 5 50 BFBA O=[N+]([O-])c1ccc(-c2c[nH]c(=S)[nH]2)cc1 13683986 VTJUTVFOBSHNSS-UHFFFAOYSA-N 221.241 2.647 5 50 BFBA in-vitro CCCCNc1cc(F)ccc1[N+](=O)[O-] 52119157 USLBMCNRNJPDOZ-UHFFFAOYSA-N 212.224 2.946 5 50 BFBA CCCCOc1c(OC)ccc([N+](=O)[O-])c1F 261494306 UPKSDXFNXXAXCI-UHFFFAOYSA-N 243.234 2.921 5 50 BFBA CCC(CC)NCc1ccc([N+](=O)[O-])cc1 4685483 SRQUOYRAULLNEY-UHFFFAOYSA-N 222.288 2.873 5 50 BFBA in-vitro O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35742 RTSOJVJDKNKNFU-UHFFFAOYSA-N 217.180 2.667 5 50 BFBA biogenic,in-vitro CCCCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 3883515 JJSHJNMZAAFTEH-UHFFFAOYSA-N 247.254 2.987 5 50 BFBA in-vitro Cc1cc(S[C@@H]2CCOC2)ccc1[N+](=O)[O-] 335389271 DTZFQKOCIUPDGO-SNVBAGLBSA-N 239.296 2.784 5 50 BFBA CC(C)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 449757 AZIGCLSRWCJPGY-UHFFFAOYSA-N 240.234 2.719 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1-n1cccc1 1519672 FJBOAUNBXJQBMZ-UHFFFAOYSA-N 202.213 2.694 5 50 BFBA COC(=O)c1ccoc1-c1ccc([N+](=O)[O-])cc1 137282319 PLDISUWQYUVIOM-UHFFFAOYSA-N 247.206 2.641 5 50 BFBA C[C@H]1CCc2nc(Cl)c([N+](=O)[O-])cc2C1 217546332 OQGOBDKZARWNKB-LURJTMIESA-N 226.663 2.768 5 50 BFBA O=[N+]([O-])c1c(F)cc(F)cc1Br 2526713 XIDAMEPMZLNCNG-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro CC(C)(C)OC(=O)c1ccc(F)c([N+](=O)[O-])c1 91302029 QWDYAIDDFCNTKJ-UHFFFAOYSA-N 241.218 2.689 5 50 BFBA O=[N+]([O-])c1cccnc1NCc1ccccc1 19925857 RBBKTZWUWVAWBV-UHFFFAOYSA-N 229.239 2.602 5 50 BFBA O=[N+]([O-])c1ccccc1[C@H](O)c1ccccc1 21990596 AIHHQWUKHCUKLJ-CYBMUJFWSA-N 229.235 2.677 5 50 BFBA CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1 75290412 PGDQPYRGGSHYIT-UHFFFAOYSA-N 238.243 2.942 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(-c2ccncc2F)cc1F 725242631 OMBJKHJHOKQWNJ-UHFFFAOYSA-N 236.177 2.935 5 50 BFBA Cc1c(Br)cc(F)cc1[N+](=O)[O-] 2243125 ZVDFTBJXUXQPAU-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA biogenic Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 39649473 AVWBWIZTGVJIKB-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA O=[N+]([O-])c1ccc(Oc2cccnc2)cc1 1426083 BXRQEJKKEDDSBF-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 23281735 UFRGLHVVKVJGMW-LLVKDONJSA-N 234.299 2.827 5 50 BFBA O=[N+]([O-])c1ccc(S)cc1Br 238666021 LOXRQVIVWMSVBL-UHFFFAOYSA-N 234.074 2.646 5 50 BFBA C[C@H]1CCC[C@@](Br)([N+](=O)[O-])C1 958528085 JEXFSSKMWRJWCX-NKWVEPMBSA-N 222.082 2.564 5 50 BFBA O=[N+]([O-])c1cc(F)cc(F)c1C(F)(F)F 263623737 KGQUUKHUFGOKCD-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccs1 3897769 FUSWAPGVSPAXMY-UHFFFAOYSA-N 248.263 2.909 5 50 BFBA CCC(CC)C(=O)Nc1ccccc1[N+](=O)[O-] 5093754 YOIXSDCRHXUWIV-UHFFFAOYSA-N 236.271 2.970 5 50 BFBA CCC1(Nc2ncc([N+](=O)[O-])cn2)CCCC1 394569246 QMWHELFJLNGHGT-UHFFFAOYSA-N 236.275 2.520 5 50 BFBA CCc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 170462 XWNQCLWNVOJDPS-UHFFFAOYSA-N 226.619 2.952 5 50 BFBA in-vitro CCCC[S@@](=O)c1ccc([N+](=O)[O-])cc1 196048478 KIAHOANLDDZNJN-OAHLLOKOSA-N 227.285 2.503 5 50 BFBA CC(C)(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] 173340 QIHHYQWNYKOHEV-UHFFFAOYSA-N 223.228 2.591 5 50 BFBA in-vitro Cc1nccc2c1cnc1nc3ccccc3n12 169681359 IAMJGFADDRWORT-UHFFFAOYSA-N 234.262 2.739 5 50 BFBA CC(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5005217 UNCGEGKBYJEHNP-UHFFFAOYSA-N 242.662 2.843 5 50 BFBA O=[N+]([O-])c1ccc2c(ccn2C(F)F)c1 128517547 IQZYIGSIIILMET-UHFFFAOYSA-N 212.155 2.945 5 50 BFBA Cc1ccc(-c2c[nH]nc2C)cc1[N+](=O)[O-] 725271940 KQPCIWZWPBPQFS-UHFFFAOYSA-N 217.228 2.602 5 50 BFBA C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 1440285 NEJWOMPFLAWSBD-SNVBAGLBSA-N 248.282 2.609 5 50 BFBA CC(C)COc1c(F)cccc1[N+](=O)[O-] 67800680 OMJCHCJAEMSERQ-UHFFFAOYSA-N 213.208 2.769 5 50 BFBA O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 1595220 FIXNUWGGLHPMGU-UHFFFAOYSA-N 244.206 2.755 5 50 BFBA C[C@@H]1CC(C)(C)C[C@@]1(Br)[N+](=O)[O-] 958528100 JNOYXMSCJOJZJV-HTRCEHHLSA-N 236.109 2.810 5 50 BFBA O=C1c2ccccc2-c2c1cccc2[N+](=O)[O-] 1706445 CAVWKDDIVRHSEI-UHFFFAOYSA-N 225.203 2.806 5 50 BFBA CC(C)(C)C(=O)COc1ccccc1[N+](=O)[O-] 1389022 IYGWUAFDCYXSON-UHFFFAOYSA-N 237.255 2.589 5 50 BFBA O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12 1693402 AVCSMMMOCOTIHF-UHFFFAOYSA-N 218.168 2.656 5 50 BFBA in-vitro Cc1nc(SCc2ccccc2)c([N+](=O)[O-])[nH]1 5129866 JZFYVLKLHUJMJR-UHFFFAOYSA-N 249.295 2.919 5 50 BFBA CCNc1ccc2ncccc2c1[N+](=O)[O-] 37362203 LEXGYCIINZOOEH-UHFFFAOYSA-N 217.228 2.575 5 50 BFBA in-vitro Cc1c(Br)cccc1[N+](=O)[O-] 163319 LYTNSGFSAXWBCA-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 4429662 IGSAVPVCQHAPSM-UHFFFAOYSA-N 236.998 2.810 5 50 BFBA O=[N+]([O-])c1cc2ccccc2nc1Cl 14982440 PQZXGIIGQHCVAU-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro COc1cc(-c2ccccc2[N+](=O)[O-])ccn1 725242421 BRROIFVGMYUWTI-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA O=[N+]([O-])c1ccc(C[C@@H](O)c2ccccc2)cc1 1726331 MEWODLZYZUQZST-CQSZACIVSA-N 243.262 2.871 5 50 BFBA CC[N+](CC)(CC)Cc1cccc([N+](=O)[O-])c1 3080649 HWUXSXCDZNYFHH-UHFFFAOYSA-N 237.323 2.971 5 50 BFBA O=[N+]([O-])c1cc(F)ccc1OC(F)(F)F 34295771 PGISCPIWSHGJJJ-UHFFFAOYSA-N 225.097 2.633 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(-c2cn3ccsc3n2)cc1 129081 JLETUFGLJXMETA-UHFFFAOYSA-N 245.263 2.971 5 50 BFBA Cc1ccc(NC(=O)C(C)(C)C)cc1[N+](=O)[O-] 442592 BJKSBYVVMDTUPH-UHFFFAOYSA-N 236.271 2.888 5 50 BFBA Cc1cnc(OC2CCCC2)c([N+](=O)[O-])c1 261493636 GGMPGCBIOOQEAY-UHFFFAOYSA-N 222.244 2.620 5 50 BFBA Cc1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 4820942 YWJDLTISYMFUBG-UHFFFAOYSA-N 245.282 2.765 5 50 BFBA COc1cccc2nc3ccccc3nc12 5700933 ZYDGCYWJDWIJCS-UHFFFAOYSA-N 210.236 2.792 5 50 BFBA biogenic,in-vitro O=[N+]([O-])c1cc(F)cc(Oc2cccnc2)c1 71863974 DBJJZYUJIVEGND-UHFFFAOYSA-N 234.186 2.921 5 50 BFBA O=[N+]([O-])c1cc(Br)c(F)cc1F 170148 OOUUWURPSUSDTD-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(-c2ccc(O)cc2)c1 33427614 UNJAJDWFIYUSJV-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA Cc1c(C(=O)NC2CCCC2)cccc1[N+](=O)[O-] 246164 YZLBIGAGXPAXSN-UHFFFAOYSA-N 248.282 2.576 5 50 BFBA CCCCOc1cc([N+](=O)[O-])ccc1OC 58612326 ZQSIPERKKSAXIK-UHFFFAOYSA-N 225.244 2.782 5 50 BFBA O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1 58245 SFJCUOAQTGDBPO-UHFFFAOYSA-N 244.037 2.845 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCCC3 75850 IROFVXNXPDWNEU-UHFFFAOYSA-N 216.240 2.955 5 50 BFBA in-vitro Cc1cc(F)c(NC(=O)C(C)C)cc1[N+](=O)[O-] 252481512 CNIMAOAZQADEPG-UHFFFAOYSA-N 240.234 2.637 5 50 BFBA Cc1ccc(Br)c([N+](=O)[O-])c1 1555413 UPBUTKQMDPHQAQ-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro CN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F 4347696 OIZCWRMHLSZGKT-UHFFFAOYSA-N 234.177 2.680 5 50 BFBA in-vitro COc1ccc(C(C)(C)C)cc1[N+](=O)[O-] 2164710 VGKBXJBNEFDGJL-UHFFFAOYSA-N 209.245 2.901 5 50 BFBA O=[N+]([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 2166808 QZADIXWDDVQVKM-UHFFFAOYSA-N 236.105 2.522 5 50 BFBA in-vitro C[N+]1(C[C@H]2Cc3ccccc3O2)CCCCC1 1827424 ZCSROUJWCCQTFA-CQSZACIVSA-N 232.347 2.621 5 50 BFBA Cc1ccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 36474520 WLLRTSHYPQWMGE-CQSZACIVSA-N 243.262 2.985 5 50 BFBA O=[N+]([O-])c1ccc(Nc2ccccn2)cc1 39269691 XIULWQATZCLFGN-UHFFFAOYSA-N 215.212 2.733 5 50 BFBA C[C@H]1CC[C@@H](C)C[C@]1(Br)[N+](=O)[O-] 958528949 ZNWNXXJVYFTNMJ-CSMHCCOUSA-N 236.109 2.810 5 50 BFBA C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 15443223 HFQNWLQOEOPCLA-VIFPVBQESA-N 238.262 2.970 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1 35741 FBOFZGVRTYRGSR-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA in-vitro CCOc1ccc(Cl)c([N+](=O)[O-])c1 1679218 ALQWAAXJNRIGGE-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA in-vitro CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4289447 WNTLWKOCTHOISL-UHFFFAOYSA-N 220.150 2.655 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(N2CCCC2)c2ncccc12 3877845 DMERJCJHEOTUBG-UHFFFAOYSA-N 243.266 2.743 5 50 BFBA O=[N+]([O-])c1cccc(-c2cccnc2)c1 16125034 VNYZVWPHCFEYNE-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA in-vitro CCOC(=O)c1c(C)sc([N+](=O)[O-])c1Cl 285583 KVSZNYMRDUYEGS-UHFFFAOYSA-N 249.675 2.795 5 50 BFBA O=[N+]([O-])c1ccc(OC(F)(F)Cl)cc1 81451 WPALJCCMLCPKMZ-UHFFFAOYSA-N 223.562 2.763 5 50 BFBA in-vitro COc1cc(Br)c(C)cc1[N+](=O)[O-] 96025005 RSQRVVVHNGPSGG-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA in-vitro Cc1ccc(-c2ncccc2O)cc1[N+](=O)[O-] 186616 BLMPDRVXKSAHKB-UHFFFAOYSA-N 230.223 2.671 5 50 BFBA CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1 1215206 ADMFDTHMUXRMJQ-UHFFFAOYSA-N 223.228 2.550 5 50 BFBA Cc1cnc(-c2ccccc2[N+](=O)[O-])o1 15021481 CJAARHWYECEAFS-UHFFFAOYSA-N 204.185 2.558 5 50 BFBA in-vitro O=Cc1c([N+](=O)[O-])ccc(Cl)c1Cl 16384180 WIYQPLPGNFOLGH-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA CCCCC/C=C/C[N+]1(C)CCOCC1 3070200 ONEQJYJBGFTCIG-BQYQJAHWSA-N 212.357 2.600 5 50 BFBA CS/C(=C\[N+](=O)[O-])Nc1ccc(C)cc1 3210027 UVZZTECIUXUZEA-YFHOEESVSA-N 224.285 2.846 5 50 BFBA COc1cccc(NC2CCC2)c1[N+](=O)[O-] 129694894 NDOVCAKNYFOTJH-UHFFFAOYSA-N 222.244 2.568 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(CO)o1 172526 BGGGPABHVBOPET-UHFFFAOYSA-N 233.223 2.656 5 50 BFBA O=[N+]([O-])c1ccc(OC2CCCC2)cc1 12395801 VXICHIXNGDQYGT-UHFFFAOYSA-N 207.229 2.916 5 50 BFBA Nc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 35635747 WHJNKCNHEVCICH-UHFFFAOYSA-N 229.239 2.921 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 2382388 SVQCVQCIZWSPPX-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro O=[N+]([O-])c1ccc(N2CCCC2)c(Cl)c1 3877843 XMLGZIMCJDYHOD-UHFFFAOYSA-N 226.663 2.848 5 50 BFBA Cn1c2ccccc2c(=O)c2ccccc21 8579417 XUVKSPPGPPFPQN-UHFFFAOYSA-N 209.248 2.692 5 50 BFBA endogenous,in-man CC(C)(C)OCc1ccccc1[N+](=O)[O-] 117193854 FPRVSIJGFMCRLX-UHFFFAOYSA-N 209.245 2.910 5 50 BFBA O=[N+]([O-])c1cccc2c(NO)cccc12 4829200 RKZIQUUOZPRGHX-UHFFFAOYSA-N 204.185 2.549 5 50 BFBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC1 4988937 SQPOWAWPJQQOJH-UHFFFAOYSA-N 240.690 2.844 5 50 BFBA O=[N+]([O-])[C@H]1CC=C[C@@H](c2ccccc2)C1 44123153 BYRPHJMHUKSHSP-NEPJUHHUSA-N 203.241 2.766 5 50 BFBA Cc1cc(Br)cc([N+](=O)[O-])c1F 85477206 DYNFTQDGEFBCPS-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro COc1ccc2[nH]c3ccccc3c(=O)c2c1 4353192 HEGMPAQEVYHHHI-UHFFFAOYSA-N 225.247 2.690 5 50 BFBA O=C1CC2(CCCC2)c2ccc([N+](=O)[O-])cc21 71774288 CMUVYVPOGXXHRX-UHFFFAOYSA-N 231.251 2.993 5 50 BFBA COc1cc(-c2cc([N+](=O)[O-])ccc2F)ccn1 725242478 JAOWDBOMFJIOGA-UHFFFAOYSA-N 248.213 2.805 5 50 BFBA Cc1ccc(Cn2cnc([N+](=O)[O-])c2C)c(C)c1 1775989167 FVGSDRBBTFECLI-UHFFFAOYSA-N 245.282 2.765 5 50 BFBA Cc1cc([N+](=O)[O-])c(N)c(C)c1Br 4774389 OMTDZBNEPGXCNC-UHFFFAOYSA-N 245.076 2.556 5 50 BFBA Cc1ccc2c(c1)c1c(n2C)CC[N+](C)(C)C1 142455 JJVZDCRRLDVAIN-UHFFFAOYSA-N 229.347 2.619 5 50 BFBA biogenic,in-vitro COc1cc(C)c([N+](=O)[O-])cc1Br 42689673 RJFNPONWQGCABQ-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA in-vitro Cc1cc(OC(F)(F)F)ccc1[N+](=O)[O-] 196557177 POUIXKTYSFXELM-UHFFFAOYSA-N 221.134 2.802 5 50 BFBA C[N+](C)(C)c1cccc(C(F)(F)F)c1 2522841 ZLBCBMSHZLXLQF-UHFFFAOYSA-N 204.215 2.902 5 50 BFBA in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCC1 72537634 ICZBFICXAPISRD-UHFFFAOYSA-N 249.270 2.659 5 50 BFBA O=[N+]([O-])c1ccc(OCc2ccccc2)nc1F 261494030 OETAXNUCFRSPOZ-UHFFFAOYSA-N 248.213 2.708 5 50 BFBA O=[N+]([O-])/C=C/c1cccc(C(F)(F)F)c1 56921 GOKALPUCIXWJLV-SNAWJCMRSA-N 217.146 2.953 5 50 BFBA CCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C 4891453 ROABNIZOMDBRFT-UHFFFAOYSA-N 222.244 2.560 5 50 BFBA CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 1599512 BEPRYLWKWWVVQA-UHFFFAOYSA-N 236.271 2.515 5 50 BFBA Cc1cc(Br)c([N+](=O)[O-])cc1C 345658 BXLRLFDGLUSGQD-UHFFFAOYSA-N 230.061 2.974 5 50 BFBA CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 444695 XEZIPNQEFPEIKS-UHFFFAOYSA-N 242.662 2.987 5 50 BFBA O=C(OC1CCCC1)c1ccc([N+](=O)[O-])cc1 1441551 WPKVBNFXUGNXGX-UHFFFAOYSA-N 235.239 2.694 5 50 BFBA O=[N+]([O-])c1c(F)cc(F)cc1C(F)F 263623428 HKJUDDIJFYIEIN-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA O=[N+]([O-])c1ccc2[nH]ccc2c1Br 306469866 PWBUYPBCVZBYMY-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA COc1ccccc1Nc1ccc([N+](=O)[O-])cn1 4115743 XRMAQAOWAUVJRA-UHFFFAOYSA-N 245.238 2.742 5 50 BFBA CN1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1 2164547 DRAUPCPPCPEKKF-UHFFFAOYSA-N 228.251 2.951 5 50 BFBA CC(=O)c1cc([N+](=O)[O-])ccc1Br 137861193 IDVDALYPPBDQFE-UHFFFAOYSA-N 244.044 2.560 5 50 BFBA O=[N+]([O-])c1cccc([C@@H](O)c2ccc(F)cc2)c1 261493639 GJQIQYJTIGQKTA-ZDUSSCGKSA-N 247.225 2.816 5 50 BFBA CCN(CC)c1c(F)cccc1[N+](=O)[O-] 238791140 VYWVIBUOTWTJBH-UHFFFAOYSA-N 212.224 2.580 5 50 BFBA O=[N+]([O-])c1cc2cccnc2c2ncccc12 57716 PDDBTWXLNJNICS-UHFFFAOYSA-N 225.207 2.691 5 50 BFBA in-vitro CC(C)(C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 143483 QPPURQMJPACJCL-UHFFFAOYSA-N 247.254 2.942 5 50 BFBA CSc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 261494313 UTAIBHKQLJDRTA-UHFFFAOYSA-N 238.190 2.731 5 50 BFBA C[N@+]1(Cc2ccccc2)C[C@@H]2CC(=O)C[C@@H](C2)C1 242592183 OLHVHZNBHXEFMT-SCAQPMJSSA-N 244.358 2.632 5 50 BFBA CC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 290705 MMECJZSOKRPLJR-OLKPEBQYSA-N 248.282 2.523 5 50 BFBA O=Cc1coc2ccc3ccccc3c2c1=O 466009 PSQJJMWXNFHILK-UHFFFAOYSA-N 224.215 2.759 5 50 BFBA O=[N+]([O-])c1ccc(CNCc2ccccc2)cc1 34953387 KONOGIFSMBLJOH-UHFFFAOYSA-N 242.278 2.885 5 50 BFBA CC(C)(C)[C@@H](c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 3080669 WTDUOHJTKPXMIZ-SNVBAGLBSA-N 238.243 2.959 5 50 BFBA CC(C)(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 4845487 WRHVCKUCNADMOB-UHFFFAOYSA-N 236.271 2.970 5 50 BFBA O=[N+]([O-])c1cccc(OCC(F)(F)F)c1 12395205 REFBKPHTONTLIR-UHFFFAOYSA-N 221.134 2.536 5 50 BFBA in-vitro C[N+](C)(C)[C@H]1C=C(c2ccccc2)C=CCOC1 71785407 OTCJDERYQNGWSC-INIZCTEOSA-N 244.358 2.731 5 50 BFBA CCOc1ccc(F)c([N+](=O)[O-])c1Cl 261493742 IJFKXAOCIPLZJC-UHFFFAOYSA-N 219.599 2.786 5 50 BFBA Cc1cc(=O)oc2c(C)c3occc(=O)c3cc12 1612554 KXMWWRFPFXEFLG-UHFFFAOYSA-N 242.230 2.516 5 50 BFBA biogenic CC(C)(C)OCc1cccc([N+](=O)[O-])c1 261493487 CAOLQIBQWVFKRO-UHFFFAOYSA-N 209.245 2.910 5 50 BFBA Cc1nc(SCCC(C)C)c([N+](=O)[O-])[nH]1 5818057 FXBMLNCZYSCYDF-UHFFFAOYSA-N 229.305 2.765 5 50 BFBA Cc1c(Br)ccc([N+](=O)[O-])c1F 97756618 QBGAYJKEQXTZQS-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 35744 QBYRUURYXPVDAK-UHFFFAOYSA-N 217.180 2.667 5 50 BFBA in-vitro O=[N+]([O-])c1cc(S)ccc1Br 2586005 ISRPRXLDLXKKDM-UHFFFAOYSA-N 234.074 2.646 5 50 BFBA Cc1ncc(-c2ccc([N+](=O)[O-])cc2)o1 1692513 KGVYXYUOGFKYDQ-UHFFFAOYSA-N 204.185 2.558 5 50 BFBA O=[N+]([O-])c1ccc2c(c1O)Cc1ccccc1-2 37246054 NKAYMSAPNXUYBD-UHFFFAOYSA-N 227.219 2.872 5 50 BFBA COc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1 91692983 JSIYUZKPIAIKCO-UHFFFAOYSA-N 237.133 2.502 5 50 BFBA Cc1c([N+](=O)[O-])ccc(F)c1Br 96306929 KGDOPLZZGRUWHO-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA NC(=O)CCCCCCCCCCC[N+](=O)[O-] 45068377 JMWZRKIKPNCYMM-UHFFFAOYSA-N 244.335 2.649 5 50 BFBA O=[N+]([O-])c1ccc(Br)c(F)c1F 21982380 GXNBBNIEEJTQST-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro O=[N+]([O-])c1ccccc1-c1ccc(O)cc1 2512539 NRRCMTITSCFYOH-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1C(F)F 263623662 JKOMETIUNYZVMN-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA O=[N+]([O-])c1cnn(Cc2sccc2Cl)c1 253401023 ORRGTTZRGBWRNA-UHFFFAOYSA-N 243.675 2.555 5 50 BFBA COc1cc([N+](=O)[O-])ccc1OCC1CCC1 172921680 SSUHGSVXYNOIBR-UHFFFAOYSA-N 237.255 2.782 5 50 BFBA O=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 3845780 YWLHPPPBSVQLMV-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA biogenic,in-vitro CC(C)Oc1c(F)ccc([N+](=O)[O-])c1F 261493666 GSJXKGXCYVZYCG-UHFFFAOYSA-N 217.171 2.660 5 50 BFBA CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2156364 DHDFYBJGKTXXBW-UHFFFAOYSA-N 228.635 2.597 5 50 BFBA O=[N+]([O-])c1cccc([C@H](O)c2ccc(F)cc2)c1 261493638 GJQIQYJTIGQKTA-CYBMUJFWSA-N 247.225 2.816 5 50 BFBA Cc1c(-c2ccc(C=O)o2)cccc1[N+](=O)[O-] 1406796 HKGSNDUGWLEBCO-UHFFFAOYSA-N 231.207 2.976 5 50 BFBA Cc1cc([N+](=O)[O-])ccc1N1CCCC1 11535630 GUZLPJVFYLEHSV-UHFFFAOYSA-N 206.245 2.503 5 50 BFBA O=[N+]([O-])[C@H]1CC=CC[C@@H]1c1ccccc1 1561810 UXWVJBRZRRCUHU-NEPJUHHUSA-N 203.241 2.766 5 50 BFBA O=[N+]([O-])c1ccccc1Nc1cccnc1 5331517 SXVSSCAHINUDRC-UHFFFAOYSA-N 215.212 2.733 5 50 BFBA Cc1ccc2c([N+](=O)[O-])c(C)ccc2n1 243129 ZWAMWICAXFZCII-UHFFFAOYSA-N 202.213 2.760 5 50 BFBA biogenic,in-vitro Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 72206329 ZHFMXJOSNWFUND-UHFFFAOYSA-N 203.144 2.505 5 50 BFBA Cc1c(C(=O)O)sc2ccc([N+](=O)[O-])cc12 338959 MPHOQACYYKZYIG-UHFFFAOYSA-N 237.236 2.816 5 50 BFBA O=c1cc(C(F)F)oc2ccc([N+](=O)[O-])cc12 112316 LROIYUPBFQASGG-UHFFFAOYSA-N 241.149 2.639 5 50 BFBA Nc1cc2c(cc1[N+](=O)[O-])Cc1ccccc1-2 5280082 JPRAEFWJEBKFCB-UHFFFAOYSA-N 226.235 2.748 5 50 BFBA O=[N+]([O-])c1ccc(O[C@H]2CCCCO2)cc1 34416220 FCIBEQMWPFEHGQ-NSHDSACASA-N 223.228 2.500 5 50 BFBA COc1ccc2c(c1)c(=O)oc1cc(O)ccc12 4029338 IGJLBTGXYKPECW-UHFFFAOYSA-N 242.230 2.660 5 50 BFBA biogenic O=[N+]([O-])c1cc(Cc2ccccc2)ccc1O 37062626 NDIBMYMEBYRTTJ-UHFFFAOYSA-N 229.235 2.891 5 50 BFBA in-vitro O=[N+]([O-])c1cnc(C2=C(O)CCCC2)s1 100695276 JVCVPSCQZQVZJD-UHFFFAOYSA-N 226.257 2.894 5 50 BFBA CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 4613936 ZEXZCTUOCVFVRX-UHFFFAOYSA-N 236.271 2.970 5 50 BFBA COc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 5998615 OQRXLBNJKPMELG-UHFFFAOYSA-N 222.027 2.910 5 50 BFBA O=[N+]([O-])c1cccc2nc(Cl)sc12 45238177 QJZBFYGAHQZGHF-UHFFFAOYSA-N 214.633 2.858 5 50 BFBA Cc1c(F)cc(Br)cc1[N+](=O)[O-] 2243126 QZUIGBPWEFMEEV-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro CNc1ccc([N+](=O)[O-])c2ccccc12 4115590 VQTLBVWZZPYTLV-UHFFFAOYSA-N 202.213 2.790 5 50 BFBA COc1ccc([N+](=O)[O-])cc1C(F)(F)F 56590 KGFADEJSZXEVMC-UHFFFAOYSA-N 221.134 2.622 5 50 BFBA Cc1ccc(F)c([N+](=O)[O-])c1Br 98095819 UNHTWZZCFXTDPP-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA COc1c(Br)ccc(C)c1[N+](=O)[O-] 199601252 ACAOIEWKLJOSPX-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA Nc1cc([N+](=O)[O-])ccc1NCc1ccccc1 5390949 IBEYXDADRRTHEV-UHFFFAOYSA-N 243.266 2.789 5 50 BFBA COc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F 2540355 PAMCCYLUISPVGC-UHFFFAOYSA-N 235.161 2.931 5 50 BFBA CC(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 3958593 SLVIVOOPTZMDGO-UHFFFAOYSA-N 242.662 2.843 5 50 BFBA CC(=O)Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 4530700 NLMSWSNEACDRBF-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1 24548057 PLTZVEHLSDYCCQ-UHFFFAOYSA-N 248.238 2.779 5 50 BFBA CCC(CC)NCc1cccc([N+](=O)[O-])c1 169417 FYKAFBAWZDAPSW-UHFFFAOYSA-N 222.288 2.873 5 50 BFBA in-vitro Cc1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 1426619 MMBQFLYRHBRCFY-UHFFFAOYSA-N 245.282 2.765 5 50 BFBA CCCCSc1ccc([N+](=O)[O-])cn1 194897229 PUEYEIRHEUCCNN-UHFFFAOYSA-N 212.274 2.882 5 50 BFBA Cc1ccc(F)cc1Oc1ncc([N+](=O)[O-])cn1 225537783 ZJQRCZHEGSWILS-UHFFFAOYSA-N 249.201 2.625 5 50 BFBA CC1(C)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@]21C 100286812 ZAIPATPNBOQDIP-WCQYABFASA-N 246.266 2.744 5 50 BFBA O=[N+]([O-])c1ccccc1-c1ccncc1F 725242690 VRTCZWMWEOKXSX-UHFFFAOYSA-N 218.187 2.796 5 50 BFBA O=[N+]([O-])c1cc(Cl)c2ncccc2c1 11535643 KOJHKILJCNOEEU-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccco1 368658 STTPWNQBPWPWAZ-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=[N+]([O-])c1ccc(Oc2ccccc2)nc1 5331880 WUHGOFKIRXYJIV-UHFFFAOYSA-N 216.196 2.782 5 50 BFBA O=[N+]([O-])c1cc(F)c(C(F)(F)F)c(F)c1 201161351 DNMOSHKONPLIAK-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA COCCn1c(C)cc2cc([N+](=O)[O-])ccc21 113929246 AGOBKHPQUVROBY-UHFFFAOYSA-N 234.255 2.504 5 50 BFBA CC(C)Oc1c(F)cc([N+](=O)[O-])cc1F 261493723 HXHAVDSGGVMICC-UHFFFAOYSA-N 217.171 2.660 5 50 BFBA O=C(c1ccc([N+](=O)[O-])cc1)c1cccs1 43880 XUGHSFUXJPGCLO-UHFFFAOYSA-N 233.248 2.887 5 50 BFBA O=[N+]([O-])c1cccnc1Oc1ccccc1F 93360 BWWQVVFSTXRVGB-UHFFFAOYSA-N 234.186 2.921 5 50 BFBA Cc1c(C)c(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C 4530155 OVFWWDRGWIAOIT-UHFFFAOYSA-N 224.216 2.737 5 50 BFBA O=[N+]([O-])c1ccccc1[C@@H](O)c1ccccc1 21990593 AIHHQWUKHCUKLJ-ZDUSSCGKSA-N 229.235 2.677 5 50 BFBA CCCn1cnc2c([N+](=O)[O-])c(C)c(C)cc21 4052387 SRBXFEGEBRCJRD-UHFFFAOYSA-N 233.271 2.971 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccc(CO)cc2)cc1 14007881 MDUQVWINYYIMOQ-UHFFFAOYSA-N 229.235 2.754 5 50 BFBA Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 241706 XTMXKDRGJKFRQL-UHFFFAOYSA-N 230.223 2.969 5 50 BFBA O=C(O)c1cccc(-c2ccccc2[N+](=O)[O-])c1 33427599 MIVOQZYLGZRQHP-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA O=[N+]([O-])/C=C/c1c(F)c(F)c(F)c(F)c1F 2557060 LBBACRWAXVCTNR-OWOJBTEDSA-N 239.099 2.630 5 50 BFBA O=[N+]([O-])c1ccc(-c2cscn2)cc1F 669381040 WNBXEJJJNNCPST-UHFFFAOYSA-N 224.216 2.857 5 50 BFBA O=[N+]([O-])c1ccc(F)c(F)c1Br 81184 OANBJAYTIQWYDQ-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro CC(C)COc1cc(F)cc([N+](=O)[O-])c1 87799891 BECJMODGSYXUPV-UHFFFAOYSA-N 213.208 2.769 5 50 BFBA Cc1cccc([N+](=O)[O-])c1Br 1646568 GCAAVRIWNMTOKB-UHFFFAOYSA-N 216.034 2.666 5 50 BFBA in-vitro Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12 12951772 KHTDXKAUSUJSQZ-UHFFFAOYSA-N 227.223 2.933 5 50 BFBA CNc1cc(Br)c(F)cc1[N+](=O)[O-] 113824579 GCLDXNSWRGKGMN-UHFFFAOYSA-N 249.039 2.538 5 50 BFBA in-vitro CCOc1c(Cl)ccc([N+](=O)[O-])c1F 261494242 SOLLDMVWQKAJJN-UHFFFAOYSA-N 219.599 2.786 5 50 BFBA O=[N+]([O-])c1ccn(C23CC4CC(CC(C4)C2)C3)n1 4651906 PSGTVWNXBXVRGO-UHFFFAOYSA-N 247.298 2.717 5 50 BFBA COc1c(C(C)=O)cc(Cl)c(C)c1[N+](=O)[O-] 2511066 UTVZRENLZWGEAO-UHFFFAOYSA-N 243.646 2.768 5 50 BFBA CNc1c(Br)cc(F)cc1[N+](=O)[O-] 252500286 SRIAGXAZQFWSEI-UHFFFAOYSA-N 249.039 2.538 5 50 BFBA O=[N+]([O-])c1ccc(Nc2cccc(F)c2)nc1 4091988 XCPWQBLVKVCPIH-UHFFFAOYSA-N 233.202 2.873 5 50 BFBA O=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl 163527 CQOQHGBSJIWOCA-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA in-vitro CC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1 4127887 MTUXJVADNJZDQS-UHFFFAOYSA-N 230.223 2.706 5 50 BFBA C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCC1 2165321 WKBGALNETNGJDC-UHFFFAOYSA-N 235.307 2.725 5 50 BFBA O=c1ccn(C2CCC2)c2ccc([N+](=O)[O-])cc12 1772574293 FNDKXCUDVKTWTL-UHFFFAOYSA-N 244.250 2.635 5 50 BFBA CC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 4582353 LLGBQJPFOBDFTB-UHFFFAOYSA-N 249.053 2.860 5 50 BFBA O=[N+]([O-])c1cc(OCc2ccccc2)ccc1O 25664219 VRYYLYCOPKQGPS-UHFFFAOYSA-N 245.234 2.879 5 50 BFBA in-vitro Cc1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1 4565352 XKAAMUXWHOHBAT-UHFFFAOYSA-N 246.222 2.749 5 50 BFBA O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 35333695 ZHQQQRTYWQXNSU-UHFFFAOYSA-N 236.010 2.600 5 50 BFBA in-vitro CCCCCOC(=O)[C@H](C)CC[C@H](C)[N+](=O)[O-] 45068442 NNDVZLCYXYHVRL-MNOVXSKESA-N 245.319 2.801 5 50 BFBA O=[N+]([O-])c1cnc(Cl)cc1C(F)(F)F 307014964 SXWHBSCVXBWSAF-UHFFFAOYSA-N 226.541 2.662 5 50 BFBA Cc1c([N+](=O)[O-])cccc1C(F)(F)F 2584308 KQUQBPVYIURTNZ-UHFFFAOYSA-N 205.135 2.922 5 50 BFBA in-vitro CCCCSc1nc(C)[nH]c1[N+](=O)[O-] 13153273 RZQXMCXSCVTTJG-UHFFFAOYSA-N 215.278 2.519 5 50 BFBA CCCCN(C)Cc1ccccc1[N+](=O)[O-] 2489825 PFBXJLBPNIXSIN-UHFFFAOYSA-N 222.288 2.827 5 50 BFBA N=C(c1cccc([N+](=O)[O-])c1)N1CCCCCC1 4015657 RSHUYTFROIPVKQ-UHFFFAOYSA-N 247.298 2.796 5 50 BFBA O=[N+]([O-])c1ccc(OCC(F)(F)F)c(F)c1 72209402 CSWRHGZONVMGAR-UHFFFAOYSA-N 239.124 2.675 5 50 BFBA O=[N+]([O-])c1cc(F)cc(C(F)F)c1F 263624139 NTRVEEZUIAZZSJ-UHFFFAOYSA-N 209.098 2.811 5 50 BFBA C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 215742 LWKZOWAGVYOREK-NSHDSACASA-N 234.299 2.827 5 50 BFBA COc1cc(C)c([N+](=O)[O-])cc1Cl 38856119 ACCXFQTUPLPTRW-UHFFFAOYSA-N 201.609 2.565 5 50 BFBA CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 485161 YCRDVUMBHFXJPH-UHFFFAOYSA-N 228.635 2.597 5 50 BFBA Cc1nc2c([N+](=O)[O-])c(C)ccc2s1 45235875 FRJWQUZWZGTHCK-UHFFFAOYSA-N 208.242 2.821 5 50 BFBA COc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] 533412 MFCXVGANVCTFLS-UHFFFAOYSA-N 247.206 2.676 5 50 BFBA Cc1ccc([N+](=O)[O-])cc1-n1cccc1C=O 2582731 HQLKHBMJCLBYDN-UHFFFAOYSA-N 230.223 2.506 5 50 BFBA in-vitro Nc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F 16158414 MFJODFSUXHFZJR-UHFFFAOYSA-N 240.568 2.849 5 50 BFBA in-vitro C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 23281737 UFRGLHVVKVJGMW-NSHDSACASA-N 234.299 2.827 5 50 BFBA CCSc1sc([N+](=O)[O-])cc1C=O 223840 WGPDGSMOEMSENJ-UHFFFAOYSA-N 217.271 2.581 5 50 BFBA O=[N+]([O-])c1cc(Br)cc2cc[nH]c12 329935 WERRDKWLHFDNTO-UHFFFAOYSA-N 241.044 2.839 5 50 BFBA CCCC[S@](=O)c1ccc([N+](=O)[O-])cc1 196048487 KIAHOANLDDZNJN-HNNXBMFYSA-N 227.285 2.503 5 50 BFBA O=Cc1coc2c(ccc3ccccc32)c1=O 1393746 LUDVGHLENACNLV-UHFFFAOYSA-N 224.215 2.759 5 50 BFBA Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1cccnc1 450091 YMZHRVPLGQVPAH-FNORWQNLSA-N 243.266 2.737 5 50 BFBA COc1cccc(-c2cccc([N+](=O)[O-])c2)n1 74938274 ZWRIZAWLCBNRDU-UHFFFAOYSA-N 230.223 2.665 5 50 BFBA in-vitro O=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl 2546062 ZFEFNOHHULUFFM-UHFFFAOYSA-N 220.011 2.714 5 50 BFBA in-vitro COc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1 58458 BEHUPCUZFVRRTD-UHFFFAOYSA-N 247.206 2.676 5 50 BFBA in-vitro CC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 109033 SUBBPOYWNZPKFM-UHFFFAOYSA-N 233.145 2.816 5 50 BFBA O=[N+]([O-])c1ccccc1-c1ccccn1 13234640 VCWYADDAXFOQMH-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA in-vitro CCCOC(=O)Nc1cccc([N+](=O)[O-])c1 2164785 MQEORIYUQXEHOW-UHFFFAOYSA-N 224.216 2.553 5 50 BFBA O=[N+]([O-])c1cc(O)cc(NCc2ccccc2)c1 261494068 PBRKFBWVWAWIFO-UHFFFAOYSA-N 244.250 2.913 5 50 BFBA Cc1cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2o1 3618161 ZHRXQQVBYKVWFQ-UHFFFAOYSA-N 222.156 2.558 5 50 BFBA CC1(C)CCC[C@@](Br)([N+](=O)[O-])C1 958528759 UIRSVAFNTUITKM-MRVPVSSYSA-N 236.109 2.955 5 50 BFBA O=[N+]([O-])c1ccc(Cl)cc1NC1CC1 4694076 UXYUMRQZVCNBTF-UHFFFAOYSA-N 212.636 2.823 5 50 BFBA Cc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 34516262 SWAVZCKLGYSSQN-UHFFFAOYSA-N 237.255 2.859 5 50 BFBA CC(C)=CCNC(=O)c1c(C)cccc1[N+](=O)[O-] 192641728 ODUURUSSHNACLN-UHFFFAOYSA-N 248.282 2.599 5 50 BFBA Cc1cc(NCc2nocc2C)ccc1[N+](=O)[O-] 708353248 LAUICTYQGGYKSG-UHFFFAOYSA-N 247.254 2.812 5 50 BFBA C[C@H]1C[C@@H](C)C[C@](Br)([N+](=O)[O-])C1 958528506 PGESZJYBNYZQLK-JIGDXULJSA-N 236.109 2.810 5 50 BFBA C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] 4989030 MNUHWTZVEWRRBU-LLVKDONJSA-N 234.299 2.969 5 50 BFBA C[C@@H]1CC[C@@H](C)[C@@](Br)([N+](=O)[O-])C1 958528951 ZNWNXXJVYFTNMJ-PRJMDXOYSA-N 236.109 2.810 5 50 BFBA O=[N+]([O-])c1ccc2ncccc2c1Cl 1671642 UEYYCZFZTFTKAY-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 5060975 WJTWAXSFXNZKEL-UHFFFAOYSA-N 238.262 2.970 5 50 BFBA O=C(O)c1cnc2c(ccc3ccccc32)c1O 11757507 QGOKEDVMXJBTAR-UHFFFAOYSA-N 239.230 2.792 5 50 BFBA in-vitro CCCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] 16662662 DAJQSOUYBMGOQV-UHFFFAOYSA-N 238.287 2.532 5 50 BFBA CC(C)Sc1ccc(C=O)cc1[N+](=O)[O-] 1395702 DKXNQJJZCJUHOL-UHFFFAOYSA-N 225.269 2.908 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccccn2)cc1 1437361 FNLTWLXKZQWUJZ-UHFFFAOYSA-N 200.197 2.657 5 50 BFBA CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1 49582085 XZBFRRXPMQLVPL-UHFFFAOYSA-N 238.243 2.942 5 50 BFBA in-vitro O=[N+]([O-])c1cccc(-c2noc(C3CCC3)n2)c1 264966918 AZOUVTWLUQXORT-UHFFFAOYSA-N 245.238 2.912 5 50 BFBA O=[N+]([O-])c1cc(Cl)c(O)c2ncccc12 1432257 VNHOFPGOOLRCLG-UHFFFAOYSA-N 224.603 2.502 5 50 BFBA CCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 4794921 GQVYMDHMPOQAAB-UHFFFAOYSA-N 222.244 2.560 5 50 BFBA CC(C)=CCOC(=O)c1ccc([N+](=O)[O-])cc1 4829336 MBCPNFHFYXLONQ-UHFFFAOYSA-N 235.239 2.718 5 50 BFBA CCNc1ccc([N+](=O)[O-])cc1Br 37131377 XGXMCUACVIEWKI-UHFFFAOYSA-N 245.076 2.789 5 50 BFBA O=[N+]([O-])c1cc(F)cc(Br)c1F 85224596 ROLNDFKAQIUDIV-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA Cn1ncc2cc3oc4cc(O)ccc4c3nc21 252488505 ITKBVGIWBKMDCX-UHFFFAOYSA-N 239.234 2.573 5 50 BFBA O=[N+]([O-])c1ccccc1OC(F)(F)C(F)F 2168649 NZPNQVWBJNSDMV-UHFFFAOYSA-N 239.124 2.832 5 50 BFBA in-vitro CC1=NN(c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 4532251 QUZXIHSRSLIMTJ-UHFFFAOYSA-N 233.271 2.959 5 50 BFBA O=[N+]([O-])c1ccc(N2CCCCC2)c(F)c1 12398525 MVYNWBRDGGKNCS-UHFFFAOYSA-N 224.235 2.724 5 50 BFBA in-vitro CCOc1cc(Cl)ccc1[N+](=O)[O-] 37781 YYQSMJVVERBZPU-UHFFFAOYSA-N 201.609 2.647 5 50 BFBA in-vitro Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1 265247 IFJDPIPLLBRMGH-UHFFFAOYSA-N 245.238 2.794 5 50 BFBA CCCc1nc2cc([N+](=O)[O-])ccc2o1 8781881 KIBRCFXHMQVFLA-UHFFFAOYSA-N 206.201 2.689 5 50 BFBA Cc1c(F)ccc(Br)c1[N+](=O)[O-] 71790043 PZZUMDDGTJMPQD-UHFFFAOYSA-N 234.024 2.805 5 50 BFBA in-vitro O=[N+]([O-])c1cc(Cl)c2ncnc(Cl)c2c1 160102000 IMXYDVKZIBRRHB-UHFFFAOYSA-N 244.037 2.845 5 50 BFBA CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 5140494 HOAMACFOIBEPEK-UHFFFAOYSA-N 234.177 2.680 5 50 BFBA CC1=Nc2ccc([N+](=O)[O-])cc2C1(C)C 4008402 DDORSJSRAREODY-UHFFFAOYSA-N 204.229 2.978 5 50 BFBA in-vitro Cc1ccc2oc(=O)c([N+](=O)[O-])c(Cl)c2c1 57897 CXEUQTVZPWYAKP-UHFFFAOYSA-N 239.614 2.663 5 50 BFBA biogenic O=[N+]([O-])c1ccc(Cl)c2ncccc12 231959 XSJNIKQCTPVESL-UHFFFAOYSA-N 208.604 2.796 5 50 BFBA in-vitro O=[N+]([O-])c1c(F)cc(Br)cc1F 37594155 ABAGKHWCTWMUDH-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA in-vitro CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1F 2384141 ISOZHNCXGVENLC-UHFFFAOYSA-N 241.218 2.689 5 50 BFBA in-vitro O=[N+]([O-])c1ccc2c(CN3CCCC3)c[nH]c2c1 59459178 YDTIVJACAUPSQZ-UHFFFAOYSA-N 245.282 2.672 5 50 BFBA COc1ccc(Br)c(C)c1[N+](=O)[O-] 72233079 RZOPBDDNOSELGK-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA O=C(O)c1ccccc1-c1ccccc1[N+](=O)[O-] 240967 OBCFFNURIFARKS-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1F 85650633 VJNPKYLIWUUCOU-UHFFFAOYSA-N 227.088 2.892 5 50 BFBA CCNc1ccc(Br)cc1[N+](=O)[O-] 21009414 VRIRIGHMWUIJSH-UHFFFAOYSA-N 245.076 2.789 5 50 BFBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1 61517 WLUMOMGZPNOSOG-UHFFFAOYSA-N 242.234 2.847 5 50 BFBA biogenic,in-vitro O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 168904 LYINHPAEAYJDIR-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA in-vitro O=[N+]([O-])c1c(F)ccc(Br)c1F 95217841 OZKHXLKTMAVPFF-UHFFFAOYSA-N 237.987 2.636 5 50 BFBA O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1 1507107 ZNDJDQOECGBUNK-UHFFFAOYSA-N 215.208 2.967 5 50 BFBA in-vitro CCCc1noc(-c2ccc([N+](=O)[O-])cc2)n1 296049 PFTLTYZZHYGATN-UHFFFAOYSA-N 233.227 2.597 5 50 BFBA O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1 33427600 XKGFCCZEXVIRQH-UHFFFAOYSA-N 243.218 2.960 5 50 BFBA Cc1noc(C)c1-c1ccccc1[N+](=O)[O-] 34451128 WXAKYKMQCRNCEN-UHFFFAOYSA-N 218.212 2.867 5 50 BFBA in-vitro O=[N+]([O-])c1cn(Cc2sccc2Cl)cn1 253420812 PIJPLYZSRFJQRQ-UHFFFAOYSA-N 243.675 2.555 5 50 BFBA O=[N+]([O-])c1ccc(C(F)(F)F)cc1F 2513204 OBWDPLOCTVOTMA-UHFFFAOYSA-N 209.098 2.753 5 50 BFBA in-vitro C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 4987458 DSXIOZNUPJGVGI-LLVKDONJSA-N 234.299 2.827 5 50 BFBA O=[N+]([O-])c1cc(CN2CCCC2)ccc1Cl 37403687 BLNLGGYHWKOGNH-UHFFFAOYSA-N 240.690 2.844 5 50 BFBA CC(C)(C)C(=O)Oc1ccc(F)c([N+](=O)[O-])c1 214479338 JZHPBVPEPYHRLD-UHFFFAOYSA-N 241.218 2.685 5 50 BFBA COc1ccc([N+](=O)[O-])cc1OC(F)(F)F 90548105 DTOWZUNDAGZRPO-UHFFFAOYSA-N 237.133 2.502 5 50 BFBA COc1cc(C)c(Br)cc1[N+](=O)[O-] 91301483 JZKNYKLYLFXWHT-UHFFFAOYSA-N 246.060 2.674 5 50 BFBA Nc1ccc(Oc2ccccc2)cc1[N+](=O)[O-] 5331879 NHCOOKBBGMCQFD-UHFFFAOYSA-N 230.223 2.969 5 50 BFBA CC(C)COc1ncc(Cl)cc1[N+](=O)[O-] 261493492 CCQVGIKTTOKZHD-UHFFFAOYSA-N 230.651 2.678 5 50 BFBA CCOc1c(Cl)cc([N+](=O)[O-])cc1OC 261493595 FLDWXZAUXLCRTP-UHFFFAOYSA-N 231.635 2.656 5 50 BFBA