smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[N+]1([C@H]2CC[C@H]3CC[C@H]2[C@H]3O)CCCCC1 105256117 YLUJMEVKOOGTDN-MQYQWHSLSA-N 224.368 2.166 5 50 BEBA biogenic O=[N+]([O-])c1cccc2c(Br)n[nH]c12 3870920 NFSTZPMYAZRZPC-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vivo CCCCOc1cccc(C(=O)O)c1[N+](=O)[O-] 138823384 IUAAUXYNDUSCMV-UHFFFAOYSA-N 239.227 2.472 5 50 BEBA O=[N+]([O-])c1ccc(C2CCNCC2)cc1 2524473 CDSJZBOLNDWPAA-UHFFFAOYSA-N 206.245 2.062 5 50 BEBA in-vitro Cc1nc2c([N+](=O)[O-])c(C)c(C)cc2[nH]1 4023635 JQUPEWYRPIWRBP-UHFFFAOYSA-N 205.217 2.396 5 50 BEBA COc1cc(N2CCCC2)ccc1[N+](=O)[O-] 3877913 KTPYTBWTSLNUGL-UHFFFAOYSA-N 222.244 2.204 5 50 BEBA in-vitro O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 476873 PTAGFRXMENSJHW-UHFFFAOYSA-N 224.191 2.082 5 50 BEBA CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 4776649 VGTBJCXVMSBEEQ-UHFFFAOYSA-N 223.232 2.126 5 50 BEBA O=[N+]([O-])c1cc(O)cc(Br)c1 19801529 VJQGLUHOAIZTNK-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 95495686 WDCLGGYMVLPIHI-UHFFFAOYSA-N 249.675 2.042 5 50 BEBA O=[N+]([O-])c1cc(Br)c2c(c1)CCN2 5389606 WCSNLUZLJCPUDG-UHFFFAOYSA-N 243.060 2.325 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl 35333554 DDVYPVSVDYGBPP-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA in-vitro Cc1cccc2cc3cnc(N)nc3nc12 12404971 VLZOWNSVYCHDRW-UHFFFAOYSA-N 210.240 2.069 5 50 BEBA in-vitro CCOC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 260033441 HEKMTLIRGNABHH-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA C[C@H](N)CNc1ccc(Cl)cc1[N+](=O)[O-] 4012588 KTMQUCPJPAGPRB-LURJTMIESA-N 229.667 2.007 5 50 BEBA O=Cc1ccc([N+](=O)[O-])cc1Br 15423232 XKDLLBUNDADXAA-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro COC(=O)c1cccc(Cl)c1[N+](=O)[O-] 2525469 VTWUVGLVDQXCJO-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4016095 BXRDRYLJKVRXHE-UHFFFAOYSA-N 208.217 2.189 5 50 BEBA Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 3861499 NGOOFAMQPUEDJM-UHFFFAOYSA-N 242.234 2.408 5 50 BEBA in-vitro Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1 438998 ZUBXSIDFUNTNSP-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA Nc1ncnc2ncc3c4ccccc4[nH]c3c12 447981 GVHWLJFLOVXEIH-UHFFFAOYSA-N 235.250 2.242 5 50 BEBA biogenic Cc1ccnc(Sc2ncccc2[N+](=O)[O-])n1 4053879 QNYBFIZQNLPGEE-UHFFFAOYSA-N 248.267 2.239 5 50 BEBA O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)nc12 5286235 XHHVZQKTSKYLQH-UHFFFAOYSA-N 231.133 2.490 5 50 BEBA CSc1ccc(C(=O)O)cc1[N+](=O)[O-] 2616116 BPZVSOOQLVSCDF-UHFFFAOYSA-N 213.214 2.015 5 50 BEBA CCOC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N 4086512 FUGICVGTDGWUHX-UHFFFAOYSA-N 244.634 2.007 5 50 BEBA O=[N+]([O-])c1cc(Br)c2nccn2c1 15021377 RCACLYOLSQUCDP-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA in-vitro O=Cc1ccc(Br)c([N+](=O)[O-])c1F 306663543 VTZQXDMNCHPPIO-UHFFFAOYSA-N 248.007 2.309 5 50 BEBA O=c1c2ccccc2nc2c3ccccc3cnn12 351550 WJVXOWLIUZTXHT-UHFFFAOYSA-N 247.257 2.396 5 50 BEBA CCOc1ccc([N+](=O)[O-])c(Br)n1 330974 GEWJSKHRBYGHTR-UHFFFAOYSA-N 247.048 2.151 5 50 BEBA COc1cccc(/C=C(\C)[N+](=O)[O-])c1OC 5220669 MMLNTSKEWFKJQF-BQYQJAHWSA-N 223.228 2.341 5 50 BEBA COC(=O)c1c(OC)ccc([N+](=O)[O-])c1Cl 498051020 CMDGIWVHWPFPDB-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA CCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 37330629 WZZYPIGFBQMUAT-UHFFFAOYSA-N 248.238 2.113 5 50 BEBA O=[N+]([O-])c1ccc2nccc(S)c2c1 3880256 YWBMNPQXNSDMHE-UHFFFAOYSA-N 206.226 2.432 5 50 BEBA CCOc1nc(Cl)ccc1[N+](=O)[O-] 36925802 XJUSTFBLMBHYOD-UHFFFAOYSA-N 202.597 2.042 5 50 BEBA CC(C)(C)[S@@](=O)Nc1cccc([N+](=O)[O-])c1 200968272 SOOBQSLCKBIXMZ-MRXNPFEDSA-N 242.300 2.469 5 50 BEBA C[N+](C)(C)CCCCCC[N+]1(C)CCCC1 585152229 COZRIPNDVAAFCH-UHFFFAOYSA-N 228.424 2.493 5 50 BEBA O=[N+]([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 3897273 ARCUVLVHQWONDY-UHFFFAOYSA-N 237.215 2.103 5 50 BEBA biogenic Nc1c(C(=O)O)sc2ccc([N+](=O)[O-])cc12 139825625 RLMOMCUWXSJXJZ-UHFFFAOYSA-N 238.224 2.090 5 50 BEBA CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1O 206832004 MNCYASOVEQTTRC-UHFFFAOYSA-N 239.227 2.256 5 50 BEBA CC(C)OC(=O)c1cccc([N+](=O)[O-])c1 1669864 ICDANRFRDBFMRY-UHFFFAOYSA-N 209.201 2.160 5 50 BEBA Cc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] 194522 LFBQEZTXFHKTPY-UHFFFAOYSA-N 219.196 2.318 5 50 BEBA CCOC(=O)Nc1cccc([N+](=O)[O-])c1 1462761 JWPGACMNGJBXHB-UHFFFAOYSA-N 210.189 2.163 5 50 BEBA in-vitro COc1cc(Cl)c([N+](=O)[O-])cc1F 146356799 MKPAQRXXOMSAOS-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA Cc1cc(C)n(C(=O)c2ccccc2[N+](=O)[O-])n1 218443 CHWYCVSTZJTVOJ-UHFFFAOYSA-N 245.238 2.097 5 50 BEBA CCOC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1673156 QZEPRSLOWNHADS-VOTSOKGWSA-N 221.212 2.171 5 50 BEBA biogenic,in-vitro Nc1c2c(c([N+](=O)[O-])c3c1CCC3)CCC2 223250362 UYGZKZDCSRPOSU-UHFFFAOYSA-N 218.256 2.154 5 50 BEBA O=[N+]([O-])c1ccc(-c2cn3cccnc3n2)cc1 90811 VUTPRDYSRJDBRS-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA Cc1ccc(C(=O)NCC(C)C)cc1[N+](=O)[O-] 5547411 SVQHXSQLXAKSHM-UHFFFAOYSA-N 236.271 2.289 5 50 BEBA CCNc1c([N+](=O)[O-])c(=O)oc2ccccc12 13556132 RZALPUUXZXOVSF-UHFFFAOYSA-N 234.211 2.133 5 50 BEBA CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O)c1 96125946 NFALFMMBSPRIRF-UHFFFAOYSA-N 239.227 2.256 5 50 BEBA NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 196298285 KJEXYZTZEXYFLL-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA in-vitro Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1 377479 MMZGCCYXQAGFBN-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C)c1 88147519 LAWVZFSHNGPAGC-UHFFFAOYSA-N 236.271 2.432 5 50 BEBA O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)cc1 252512154 NHEUKEMSVNDSIK-UMSPYCQHSA-N 236.271 2.310 5 50 BEBA O=C(Oc1ccccc1[N+](=O)[O-])c1cccnc1 65354 YIILCUGYQGMUJH-UHFFFAOYSA-N 244.206 2.209 5 50 BEBA Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N 4674085 NAMUANIERWLHLU-UHFFFAOYSA-N 235.287 2.476 5 50 BEBA CCCOc1nccc([N+](=O)[O-])c1Cl 261494151 RAOFYAVEHODELU-UHFFFAOYSA-N 216.624 2.432 5 50 BEBA CCCn1ccc(=O)c2cc([N+](=O)[O-])ccc21 1772574295 GJMADRVHUQVJTB-UHFFFAOYSA-N 232.239 2.320 5 50 BEBA CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1F 34090390 QXPWQNJSUGIFPM-UHFFFAOYSA-N 232.598 2.346 5 50 BEBA in-vitro CC/C=C/CCn1ccc(=O)c([N+](=O)[O-])c1 186156966 UHPFIQOJFOGNPW-ONEGZZNKSA-N 222.244 2.113 5 50 BEBA COc1cc([N+](=O)[O-])c(C=O)cc1Cl 306145241 VPTCGOFABDDIRC-UHFFFAOYSA-N 215.592 2.069 5 50 BEBA O=[N+]([O-])c1n[nH]c2ccc(Br)cc12 89196565 GNKAEVBTKRALDH-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA O=[N+]([O-])c1ccc(Br)cc1[N+](=O)[O-] 4256050 XNXZZFQZGVFMAN-UHFFFAOYSA-N 247.004 2.266 5 50 BEBA CCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 3961533 DPBOMJANGMJHMR-UHFFFAOYSA-N 238.243 2.342 5 50 BEBA COc1ccc([N+](=O)[O-])cc1-n1cccc1C=O 3676290 LZFHPUYFYSICSO-UHFFFAOYSA-N 246.222 2.207 5 50 BEBA CCC[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 4054766 WUQPKOIIDMCMIF-VIFPVBQESA-N 238.243 2.260 5 50 BEBA O=[N+]([O-])c1cc(F)ccc1N1CC(F)(F)C1 169725308 NTMCNNABLSATGO-UHFFFAOYSA-N 232.161 2.189 5 50 BEBA O=[N+]([O-])c1cccc(Br)c1 1566594 FWIROFMBWVMWLB-UHFFFAOYSA-N 202.007 2.357 5 50 BEBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])ccc1C 21303487 OWSPBONPFGBEFL-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA Cc1ccc2nc3nc(N)ncc3cc2c1 12404968 CTAXJSZVFCEJKB-UHFFFAOYSA-N 210.240 2.069 5 50 BEBA in-vitro Nc1c([N+](=O)[O-])ccc(F)c1Br 63767587 WSVLWVONLAQTJC-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro Cn1ccccc1=Nc1ccc([N+](=O)[O-])cc1 253370610 TVEVGRGTUZEPBQ-UHFFFAOYSA-N 229.239 2.166 5 50 BEBA C[C@@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)O1 284519 POWZYXIYDYGNMD-LDYMZIIASA-N 223.228 2.419 5 50 BEBA CC(C)[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 467517 VTVBRUYVJLLQEG-JTQLQIEISA-N 223.228 2.419 5 50 BEBA CC[C@@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 2141630 JGDVBWIUHFZXOF-SECBINFHSA-N 230.264 2.411 5 50 BEBA CSc1cc(N)c2ncccc2c1[N+](=O)[O-] 4772983 FKIOZUDFAHLSAW-UHFFFAOYSA-N 235.268 2.447 5 50 BEBA O=[N+]([O-])c1ccnn1CCCc1ccccc1 126862979 NQTLDDWAFPGIDM-UHFFFAOYSA-N 231.255 2.424 5 50 BEBA COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 57351640 UHPKNDYXGXJKMH-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro CC(C)Oc1ncc(Cl)cc1[N+](=O)[O-] 238165811 OSFVACIDCGQNEK-UHFFFAOYSA-N 216.624 2.430 5 50 BEBA in-vitro O=C(O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 56679 QBDALTIMHOITIU-DUXPYHPUSA-N 227.603 2.346 5 50 BEBA in-vitro CCOC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] 224681546 MMMUPDYQDIVXAM-SECBINFHSA-N 237.255 2.337 5 50 BEBA in-vitro Nc1c([N+](=O)[O-])cc(F)c(Cl)c1F 16158749 LXZZOYWXUAYAKR-UHFFFAOYSA-N 208.551 2.109 5 50 BEBA in-vitro C[N@@+]12CCCC[C@@H]1[C@@H](CCCO)CCC2 245296607 MBZRGAYZZWRWKM-MCIONIFRSA-N 212.357 2.168 5 50 BEBA biogenic CN(C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12 174854 PMTRDROSYRMMAD-UHFFFAOYSA-N 219.244 2.138 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccc(-c2cnc3n2CCC3)cc1 494247 OTVPAGFWJLSHIM-UHFFFAOYSA-N 229.239 2.405 5 50 BEBA O=[N+]([O-])c1ccc(CN2CCCC2)s1 4988798 VCLMXOWIEVDWBF-UHFFFAOYSA-N 212.274 2.252 5 50 BEBA Nc1c([N+](=O)[O-])cc(Cl)c(F)c1F 95932343 MNNHSXLQLJDKAV-UHFFFAOYSA-N 208.551 2.109 5 50 BEBA in-vitro O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2)n1 35828 KIEAKQSAUQTYPW-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA O=[N+]([O-])C1(C2([N+](=O)[O-])CCCC2)CCCC1 1858624 RQLQCUSIOMTSSH-UHFFFAOYSA-N 228.248 2.165 5 50 BEBA O=[N+]([O-])c1cccc(CN2CCCC2)c1 4988212 YLQHNPWMFVKRHS-UHFFFAOYSA-N 206.245 2.191 5 50 BEBA O=[N+]([O-])c1cc(Br)c2[nH]ncc2c1 1395178 FSHPSRISCPOKKQ-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro COc1cccc(Br)c1[N+](=O)[O-] 2022148 ORSPVBUIPTYLLO-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-] 243339 OVXOOHFWTAEGEE-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1 4314280 OESUYYFUIPUBIV-UHFFFAOYSA-N 229.239 2.426 5 50 BEBA CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C 42684365 BTNOAOHDOCQLOG-UHFFFAOYSA-N 212.180 2.001 5 50 BEBA in-vitro O=[N+]([O-])c1ccccc1Oc1ccc[n+]([O-])c1 44126229 ODHURQQWFVTBGZ-UHFFFAOYSA-N 232.195 2.021 5 50 BEBA CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)O 2526142 JCYZYNZBXPNNEZ-SNVBAGLBSA-N 239.227 2.145 5 50 BEBA Cc1ccc(NC(=O)C(C)C)cc1[N+](=O)[O-] 5618319 YTWKDTGKFWJDQA-UHFFFAOYSA-N 222.244 2.498 5 50 BEBA C[C@@H](C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 471990 QNBWJBXYYLFGOE-SNVBAGLBSA-N 248.282 2.321 5 50 BEBA O=[N+]([O-])c1cc(Br)cn2ccnc12 20357521 VJQWZCOWPZAAFG-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA in-vitro COC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 62153060 WYLHMGUVJWZUBX-UHFFFAOYSA-N 236.271 2.210 5 50 BEBA Cc1nc(S)c2cc([N+](=O)[O-])ccc2n1 15780538 IQTDQTZHIGWCKV-UHFFFAOYSA-N 221.241 2.135 5 50 BEBA CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1 73735 JLZWKZDHHREXTA-UHFFFAOYSA-N 222.244 2.077 5 50 BEBA in-vitro Nc1c(Br)cc(F)cc1[N+](=O)[O-] 5125331 HCYDUPDSEDHSQB-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro COC(=O)CSCc1ccc([N+](=O)[O-])cc1 225949 DLZYIQFDUZINCM-UHFFFAOYSA-N 241.268 2.001 5 50 BEBA C[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl 4475545 TXCFCSJFJWGSPS-LURJTMIESA-N 230.651 2.041 5 50 BEBA Cc1c(Br)ccc(O)c1[N+](=O)[O-] 39392141 HXNNJFUSAYWUFT-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA CCOc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] 937210 DQBMYWIMHIOXOT-UHFFFAOYSA-N 249.222 2.408 5 50 BEBA CC1([N+](=O)[O-])CCC(C(C)(C)[N+](=O)[O-])CC1 71778234 LYCLFSQGNXXOON-UHFFFAOYSA-N 230.264 2.267 5 50 BEBA CCNCCNc1ccc([N+](=O)[O-])cc1Cl 4416967 WIDMTDUBWYGGES-UHFFFAOYSA-N 243.694 2.270 5 50 BEBA Cn1c(Cl)nc2cc([N+](=O)[O-])ccc21 34503247 QNYFEUMEQHKASR-UHFFFAOYSA-N 211.608 2.135 5 50 BEBA Cc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 4058751 VYTLHXVWIBQMFJ-UHFFFAOYSA-N 245.242 2.019 5 50 BEBA O=Cc1cccn1Cc1ccccc1[N+](=O)[O-] 156370 AKFAPUIPEQSHJL-UHFFFAOYSA-N 230.223 2.257 5 50 BEBA in-vitro O=[N+]([O-])c1ccccc1OC(F)(F)F 16158139 YTWBYJAWWKTPOV-UHFFFAOYSA-N 207.107 2.493 5 50 BEBA in-vitro Cc1cnn(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2325901668 ROMDCDVAZQTCSP-UHFFFAOYSA-N 245.238 2.097 5 50 BEBA CCOC(=O)Nc1ccc(Cl)nc1[N+](=O)[O-] 207187828 SGTRCPLBAVBGBK-UHFFFAOYSA-N 245.622 2.212 5 50 BEBA O=C1CCCCN1c1ccccc1[N+](=O)[O-] 214494541 OWDZXEZAVXTTNF-UHFFFAOYSA-N 220.228 2.112 5 50 BEBA in-vitro Nc1ccc([C@@H]2CCCCC2=O)c([N+](=O)[O-])c1 3051860 QZHKTEYWYFODAD-JTQLQIEISA-N 234.255 2.404 5 50 BEBA COc1cc(F)c([N+](=O)[O-])cc1Cl 147532950 ONPAPBZBCFJNHM-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1Cl 56677 IHTLKLSRRSWIGD-DAFODLJHSA-N 227.603 2.346 5 50 BEBA biogenic,in-vitro CC(C)(C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 162401 SBUQQKAXTBKUJG-LLVKDONJSA-N 238.287 2.016 5 50 BEBA CCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2875080 KHOHAKOQEVWJRP-UHFFFAOYSA-N 236.271 2.433 5 50 BEBA O=C(O)c1ccc(-c2ncccc2[N+](=O)[O-])cc1 8729890 QQEXNJITHGFQCE-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA Cc1c(N)cc(Br)cc1[N+](=O)[O-] 14983146 OOKFCQHMHNKVKJ-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro Cc1c(Br)ccc([N+](=O)[O-])c1N 82046711 QZONGSDRDXYLDS-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1Cl 152752 WFHKGFKXWQBKQF-UHFFFAOYSA-N 232.598 2.346 5 50 BEBA O=[N+]([O-])c1cccc(Cl)c1N1CCOCC1 4183095 JOFVWYPOMFXUCI-UHFFFAOYSA-N 242.662 2.085 5 50 BEBA Cn1c(-c2ccc[nH]2)nc2cc([N+](=O)[O-])ccc21 252501527 UHAPROJNKSKLNR-UHFFFAOYSA-N 242.238 2.477 5 50 BEBA CCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 491999 OYQSIJVVPJPZRQ-UHFFFAOYSA-N 238.243 2.342 5 50 BEBA CCCCCCSC[C@@H](O)C[N+](C)(C)C 4831664 UKIDXVLRLLHZIO-LBPRGKRZSA-N 234.429 2.367 5 50 BEBA CC(C)COc1ccc([N+](=O)[O-])c(F)n1 261493413 AOVHYDNHWMIQGY-UHFFFAOYSA-N 214.196 2.164 5 50 BEBA O=[N+]([O-])c1cc(Cl)ccc1-n1ccnc1 4632437 QNLKISPTZOYPAN-UHFFFAOYSA-N 223.619 2.434 5 50 BEBA N=[S@@](=O)(c1ccc([N+](=O)[O-])cc1)C1CC1 114749207 NONWGPPTZUAPQU-OAHLLOKOSA-N 226.257 2.163 5 50 BEBA CCOC(=O)c1cc([N+](=O)[O-])ccc1OCC 616612 XBYMFRCPFAPCLJ-UHFFFAOYSA-N 239.227 2.170 5 50 BEBA in-vitro Cc1cc(Br)cc([N+](=O)[O-])c1N 3884500 ZXFVKFUXKFPUQJ-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1 4056444 OCPIIXYZBQDGKP-UHFFFAOYSA-N 220.228 2.252 5 50 BEBA Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 4334573 AUTLVHYEAAAKNM-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA O=[N+]([O-])c1cccnc1N1CCC(F)(F)CC1 169725762 SOBNUCLWVKUPKF-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA Cc1c(NC(=O)C2CC2)cccc1[N+](=O)[O-] 45874 FRNWTNZKBHDKLP-UHFFFAOYSA-N 220.228 2.252 5 50 BEBA O=[N+]([O-])c1cc2cn[nH]c2cc1Br 89197076 YZKXPWFCVVSHCK-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro O=Cc1cc(Br)c(F)cc1[N+](=O)[O-] 34519905 LQFBETPMHZUCCK-UHFFFAOYSA-N 248.007 2.309 5 50 BEBA CCCn1c(CC)nc([N+](=O)[O-])c1Cl 481442 IMYNSUFEKAABDD-UHFFFAOYSA-N 217.656 2.417 5 50 BEBA O=[N+]([O-])c1ccc(-n2cccc2)c(O)c1 4615055 DZDJALIVRCUNIY-UHFFFAOYSA-N 204.185 2.091 5 50 BEBA COc1c(C(C)=O)cc(Cl)cc1[N+](=O)[O-] 2511069 LITLMEXLPPVIHU-UHFFFAOYSA-N 229.619 2.459 5 50 BEBA O=[N+]([O-])c1ccc(O)c(C(F)(F)F)c1 32914724 GWGZFNRFNIXCGH-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro O=[N+]([O-])c1cccnc1OCCC(F)(F)F 169725766 IZGHSOQXODIMLX-UHFFFAOYSA-N 236.149 2.321 5 50 BEBA Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4243512 GRLKSWWADWGIEU-UHFFFAOYSA-N 221.260 2.167 5 50 BEBA CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4531726 KBLJXXODEPARJO-UHFFFAOYSA-N 225.204 2.323 5 50 BEBA COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C 43220638 JAMJGHLCWGZMDT-UHFFFAOYSA-N 229.619 2.343 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(F)cc1CN1CCCC1 51125771 XECKQJVQSXZPHD-UHFFFAOYSA-N 224.235 2.330 5 50 BEBA Cc1cc(N)c([N+](=O)[O-])cc1Br 72190327 POWJQZRBSYOVIJ-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA O=C(O)CC(F)(F)c1ccc([N+](=O)[O-])cc1 958528682 YZSHMHVQFGQCRP-UHFFFAOYSA-N 231.154 2.161 5 50 BEBA COc1ccc([N+](=O)[O-])c(Cl)c1OC 95494780 BYVZLDRFSQXIEM-UHFFFAOYSA-N 217.608 2.265 5 50 BEBA in-vitro CC1(C)Cc2ccccc2C(C[N+](=O)[O-])=N1 104139 KVYNJWKWOAXONN-UHFFFAOYSA-N 218.256 2.087 5 50 BEBA CC[C@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 2141629 JGDVBWIUHFZXOF-VIFPVBQESA-N 230.264 2.411 5 50 BEBA O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1 4578540 TYUHMMUUMWZPDB-UHFFFAOYSA-N 249.251 2.304 5 50 BEBA CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1C 159876617 ZNCRIBKOEOYAFB-UHFFFAOYSA-N 227.191 2.219 5 50 BEBA in-vitro COC(=O)C(C)(C)c1cccc([N+](=O)[O-])c1 165321334 UXYZPBKSIFDTJL-UHFFFAOYSA-N 223.228 2.045 5 50 BEBA CN(C)c1ccc([N+](=O)[O-])cc1Br 5208178 SITKZBWMJBVSID-UHFFFAOYSA-N 245.076 2.423 5 50 BEBA in-vitro COc1c(F)cc([N+](=O)[O-])cc1Cl 261493493 CDNRZTRKKPEQMZ-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA Cc1cc(=O)c2c(=O)oc3ccccc3c2o1 33677 TUBHDGQFWDSXPR-UHFFFAOYSA-N 228.203 2.208 5 50 BEBA biogenic O=[N+]([O-])c1ccc(Br)c2cn[nH]c12 44713416 DUMLSJZUSWSCBY-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro O=C(O)c1cccc(C(F)(F)F)c1[N+](=O)[O-] 98181604 SNRKODPBDWWCNL-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA CC(C)N(c1ccc([N+](=O)[O-])c(N)n1)C(C)C 227174046 VUAJEXBAXHEFGD-UHFFFAOYSA-N 238.291 2.195 5 50 BEBA CC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 263623275 GDWWNLQSGYPFAL-UHFFFAOYSA-N 201.128 2.076 5 50 BEBA O=[N+]([O-])c1cccnc1-n1cnc2ccccc21 484865 LGXFJUDOIQFSEW-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA COc1ccc2cc([N+](=O)[O-])cnc2c1 235912 HVGPUJMRYVXJMW-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA Nc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-] 4334572 WOSGMZUIHAFPSS-UHFFFAOYSA-N 224.113 2.335 5 50 BEBA CC(=O)Nc1cc(F)c(C)cc1[N+](=O)[O-] 217040848 BEXBLSMYOFCYCW-UHFFFAOYSA-N 212.180 2.001 5 50 BEBA in-vitro N[C@@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 208551 AINZTKBCWTUYEF-SNVBAGLBSA-N 231.255 2.412 5 50 BEBA CCN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-] 2827864 ZVWLBRHEBGHQSR-UHFFFAOYSA-N 236.271 2.385 5 50 BEBA O=[N+]([O-])c1c(-c2ccccc2)nc2ncccn12 45027522 ZEIRIURBCDULCE-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1 1672863 PBOPJYORIDJAFE-UHFFFAOYSA-N 247.004 2.266 5 50 BEBA in-vitro O=[N+]([O-])c1c(Br)ccc(O)c1F 306199376 SPHBRVIRUKILRH-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA C[N+](C)(C)CCCCC[N+]1(C)CCCCC1 585152259 HLGJPCZSDVJLHC-UHFFFAOYSA-N 228.424 2.493 5 50 BEBA C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12 2572276 HIYGARYIJIZXGW-UHFFFAOYSA-O 219.308 2.122 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1 5046829 SMKXLBISYVJESG-UHFFFAOYSA-N 210.208 2.334 5 50 BEBA in-vitro O=Cc1cccn1-c1cccc([N+](=O)[O-])c1 75362 PMFWIANLJTWYNH-UHFFFAOYSA-N 216.196 2.198 5 50 BEBA in-vitro CC(C)NCCc1ccc([N+](=O)[O-])cc1 1666809 SJHATZJNMYCGEU-UHFFFAOYSA-N 208.261 2.135 5 50 BEBA CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4016377 RAYYZJTYTUPECK-UHFFFAOYSA-N 239.231 2.349 5 50 BEBA Cc1ccc(C2OCCCO2)cc1[N+](=O)[O-] 40544872 QJMKPANLTSOQMV-UHFFFAOYSA-N 223.228 2.339 5 50 BEBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1 341175 KAGRJYDQTGZIGS-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 272837 YOQXJJARPAWPJV-MRVPVSSYSA-N 238.243 2.060 5 50 BEBA Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 3861425 HOTZLWVITTVZGY-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro COc1ccc(-n2cccc2C=O)c([N+](=O)[O-])c1 4237750 JGTHUFBUGDDCNF-UHFFFAOYSA-N 246.222 2.207 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])c(F)cc1Cl 4362878 SYZKAFCPWNFONG-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA in-vitro O=[N+]([O-])/C=C/c1cc(Cl)ccc1[N+](=O)[O-] 2563279 QPOWCZYBXJVQFJ-ONEGZZNKSA-N 228.591 2.496 5 50 BEBA O=[N+]([O-])c1ncn(C23CC4CC(CC(C4)C2)C3)n1 4576808 YDPOBHWXRSITLP-UHFFFAOYSA-N 248.286 2.112 5 50 BEBA CC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)O 5498330 DNHIZLKKGAUBON-UHFFFAOYSA-N 225.200 2.080 5 50 BEBA COc1cc(Cl)cc([N+](=O)[O-])c1F 261494028 ODSNAMAQIOSBHT-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA CCCCNC(=O)Oc1cccc([N+](=O)[O-])c1 2156329 MTVQXNBIPCUIOT-UHFFFAOYSA-N 238.243 2.483 5 50 BEBA Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 4127895 RMIMEMMJKYVPAI-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4293996 ZOJPXCPZDSRIKP-UHFFFAOYSA-N 236.256 2.004 5 50 BEBA CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])nc1 38665652 YPROTXGMELDXOQ-UHFFFAOYSA-N 239.231 2.337 5 50 BEBA CCCNc1cc(OC)ccc1[N+](=O)[O-] 87544375 VGOVMCNHSWOEJM-UHFFFAOYSA-N 210.233 2.425 5 50 BEBA O=C(O)Cc1c([N+](=O)[O-])cccc1C(F)(F)F 169801733 NPLOKIITLFKNKE-UHFFFAOYSA-N 249.144 2.241 5 50 BEBA CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 73834 RNISQKYAJCJDHF-UHFFFAOYSA-N 237.240 2.367 5 50 BEBA O=[N+]([O-])c1ccc(C(=S)N2CCCC2)cc1 355205 QHYKYRYXFGOVOV-UHFFFAOYSA-N 236.296 2.366 5 50 BEBA O=[N+]([O-])c1c(O)cccc1C(F)(F)F 63110848 KLWSGZHZNIOCPO-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA Nc1cncc(-c2ccc([N+](=O)[O-])c(F)c2)c1 1875340295 VADFQQKBPDDRQS-UHFFFAOYSA-N 233.202 2.378 5 50 BEBA O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1 286234 TVVXMFINZFSSKR-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA COCCCNc1ccc([N+](=O)[O-])cc1 4760011 JBTPRUMXWADORW-UHFFFAOYSA-N 210.233 2.043 5 50 BEBA O=[N+]([O-])c1c(O)ccc(Br)c1F 71654836 VQSACDGRYKNYRN-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA Cc1c(C=O)c2cc([N+](=O)[O-])ccc2n1C 294420 PLCJADLBZIAXPX-UHFFFAOYSA-N 218.212 2.207 5 50 BEBA Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 1708339 KPDPGZNHKMJEFZ-UHFFFAOYSA-N 216.580 2.465 5 50 BEBA in-vitro CCCCNC(=O)c1ccccc1[N+](=O)[O-] 2742382 YRNIXNMRAQAEON-UHFFFAOYSA-N 222.244 2.125 5 50 BEBA Cc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-] 95845580 KSLZRIXXMKXDEO-UHFFFAOYSA-N 215.592 2.255 5 50 BEBA in-vitro CC(C)CCNC(=O)c1ccccc1[N+](=O)[O-] 441582 FFSMATQCVJQTCB-UHFFFAOYSA-N 236.271 2.371 5 50 BEBA COc1ccc2[nH]cc(CC[N+](C)(C)C)c2c1 408652 XWQNTAWSTZCAMQ-UHFFFAOYSA-N 233.335 2.425 5 50 BEBA CCOC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 4100931 DYEMMKORTMGHJC-UHFFFAOYSA-N 240.215 2.172 5 50 BEBA O=[N+]([O-])c1cccc(CN2CCSCC2)c1 61283387 ZRUOBZXHWOQHIC-UHFFFAOYSA-N 238.312 2.144 5 50 BEBA Cc1nn([C@@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] 952880594 WGNOLAHYDUFEFS-VIFPVBQESA-N 246.270 2.412 5 50 BEBA Cc1nccn1Cc1ccc([N+](=O)[O-])cc1 4244871 KBZYPLFJZZWFAW-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 3888984 UTKUVRNVYFTEHF-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] 2577569 UNTKSWGPXYYQGS-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA CC(=O)Cc1oc2ccc(O)cc2c1[N+](=O)[O-] 1227172 YDPJUNQLJIOTCN-UHFFFAOYSA-N 235.195 2.178 5 50 BEBA Cc1cnn(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 2325901648 QLNZXOCWHGPVTQ-UHFFFAOYSA-N 245.238 2.097 5 50 BEBA CCOC(OCC)c1ccc([N+](=O)[O-])o1 33505765 KCOCEYGKBVVPDC-UHFFFAOYSA-N 215.205 2.259 5 50 BEBA O=C(O)c1c(F)ccc([N+](=O)[O-])c1Cl 44225378 KLIABKNSCATNJU-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA in-vitro O=[N+]([O-])c1cnc(-c2ccccc2)nc1 209700 GXRWVLAMQREVBB-UHFFFAOYSA-N 201.185 2.052 5 50 BEBA C[N@+]1(c2cccc(C(F)(F)F)c2)CCC(N)=N1 245231686 IJIVCPNCBLHZJF-QGZVFWFLSA-N 244.240 2.318 5 50 BEBA COc1ccc2c([N+](=O)[O-])cccc2n1 146646878 NYZGSVMHIRDDAO-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA CC[n+]1cccc2c([N+](=O)[O-])cccc21 331358 HHKTZCPCHJPRQO-UHFFFAOYSA-N 203.221 2.055 5 50 BEBA Cc1cc(C)n(Cc2cccc([N+](=O)[O-])c2)n1 614343 BWKJEOXJLBSEPF-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA CC1(C)COC(c2cccc([N+](=O)[O-])c2)=N1 193026 QIAYGYJTXPWMBQ-UHFFFAOYSA-N 220.228 2.150 5 50 BEBA O=[N+]([O-])c1cc(Br)cnc1Cl 2559366 WWQQPSDIIVXFOX-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro COC(=O)c1cc(F)c([N+](=O)[O-])cc1Cl 228981969 GTHCSQMSHAUBMM-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA COC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 375587 LBOMLFVUWZSOJN-UHFFFAOYSA-N 210.189 2.082 5 50 BEBA CC[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] 2824017 OGTXCHFDLIOKPU-SNVBAGLBSA-N 238.287 2.362 5 50 BEBA Cc1cc([N+](=O)[O-])ccc1OC1CCNCC1 51865463 HTUWOASNZMMHAQ-UHFFFAOYSA-N 236.271 2.034 5 50 BEBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1OC 26522328 SPSVQVKAYOHSBJ-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA in-vitro CCOc1ncc(Cl)cc1[N+](=O)[O-] 15021650 ZYBDCRAUJIDTDQ-UHFFFAOYSA-N 202.597 2.042 5 50 BEBA in-vitro O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1 4004488 KJISHWYSNGQNFM-UHFFFAOYSA-N 242.662 2.085 5 50 BEBA Nc1ccc([C@H]2CCCCC2=O)c([N+](=O)[O-])c1 3051858 QZHKTEYWYFODAD-SNVBAGLBSA-N 234.255 2.404 5 50 BEBA Nc1ccc(C(=O)c2cccs2)cc1[N+](=O)[O-] 3878362 JYEFXNUTHWKKGY-UHFFFAOYSA-N 248.263 2.470 5 50 BEBA in-vitro Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O 58616 IKBFYOQMSYXGBI-UHFFFAOYSA-N 204.185 2.197 5 50 BEBA biogenic,in-vitro COc1c(F)cc(Cl)cc1[N+](=O)[O-] 91252300 XOPIOMSLJVHTIO-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA in-vitro Cc1c([N+](=O)[O-])c(F)cc(F)c1[N+](=O)[O-] 98086056 DFZVGSVQXYJPDR-UHFFFAOYSA-N 218.115 2.090 5 50 BEBA O=[N+]([O-])c1ccc2[nH]c(C(F)(F)F)nc2c1 3832614 FEJRBJIEEALTTL-UHFFFAOYSA-N 231.133 2.490 5 50 BEBA in-vitro O=C(O)COc1ccc2ccccc2c1[N+](=O)[O-] 5739823 SFCJJDUXVOQJMA-UHFFFAOYSA-N 247.206 2.211 5 50 BEBA Nc1cc(F)c([N+](=O)[O-])cc1Br 91302140 PKDUOURYTVRBLI-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(C(=S)N2CCCC2)c1 208436 VVIAEZJEBZIPIK-UHFFFAOYSA-N 236.296 2.366 5 50 BEBA Nc1c([N+](=O)[O-])ccc(F)c1OC(F)(F)F 604221558 KAKCIQHJEBKSQP-UHFFFAOYSA-N 240.112 2.215 5 50 BEBA CC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 37632669 CXTPOLDUEGJFDZ-UHFFFAOYSA-N 204.185 2.279 5 50 BEBA in-vitro CCOc1cc(F)c(F)cc1[N+](=O)[O-] 263624716 SWNUTOBSUMTMME-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA O=c1oc2ccc(F)cc2c(Cl)c1[N+](=O)[O-] 58085 HNGGDISWABEPNU-UHFFFAOYSA-N 243.577 2.494 5 50 BEBA biogenic O=[N+]([O-])c1ccnc2[nH]cc(Br)c12 16678075 BEJIGFSDNHXGAA-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA O=[N+]([O-])/C=C/c1ccc(/C=C/[N+](=O)[O-])cc1 1703061 ZMBDJGCBGDJQOP-KQQUZDAGSA-N 220.184 2.181 5 50 BEBA Cc1nc(Br)ccc1[N+](=O)[O-] 8698264 PCNVKBBKROTUNS-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro CC(=O)Nc1c([N+](=O)[O-])ccc(F)c1C 12336402 JQUCULCZNWRUQW-UHFFFAOYSA-N 212.180 2.001 5 50 BEBA CCOc1c(F)ccc([N+](=O)[O-])c1F 261494290 UHKGLBMIZCMSKJ-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA COC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 349254782 ULELWFBVPXKKRO-UHFFFAOYSA-N 242.662 2.083 5 50 BEBA COc1ccc([N+](=O)[O-])cc1Br 1727322 JMUDXQVNBZCQRF-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro O=c1c([N+](=O)[O-])c[nH]c2cc(Cl)ccc12 1555243 ZCVZBMGSTIUGRP-UHFFFAOYSA-N 224.603 2.090 5 50 BEBA in-vitro O=C(Nc1ccncc1)c1cccc([N+](=O)[O-])c1 12223463 DIRVALIWAZNVIT-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA CCNc1ncc(Br)cc1[N+](=O)[O-] 16124264 XQDUACRLXPWNLD-UHFFFAOYSA-N 246.064 2.184 5 50 BEBA O=[N+]([O-])c1cc(Br)cnc1S 38537086 YINMWDRWADCKEZ-UHFFFAOYSA-N 235.062 2.041 5 50 BEBA in-vitro O=C(O)c1cccc2c([N+](=O)[O-])cccc12 2575262 XOUKDQBDXPQJJI-UHFFFAOYSA-N 217.180 2.446 5 50 BEBA in-vitro CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 3093858 VBGGXXPDZCHJDP-UHFFFAOYSA-N 236.271 2.052 5 50 BEBA C[N+]1([C@H]2CC[C@H]3CCC[C@H]2[C@@H]3O)CCCC1 169692243 XPLDIPBUNDHFNG-YIYPIFLZSA-N 224.368 2.166 5 50 BEBA O=C(Nc1cccnc1)c1ccccc1[N+](=O)[O-] 43538 PTYIYRPPHKUIQT-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 3883990 AUNKEFOSUQUFCM-UHFFFAOYSA-N 221.260 2.167 5 50 BEBA in-vitro O=C(O)c1cc(Br)ccc1[N+](=O)[O-] 1692553 FNINYRSNPGPWEL-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 3884512 XCCYGUOUNHECSY-NXEZZACHSA-N 236.271 2.208 5 50 BEBA Cc1cc(C(=O)NCC(C)C)ccc1[N+](=O)[O-] 102160 LHRLXDYTOOESDD-UHFFFAOYSA-N 236.271 2.289 5 50 BEBA N[C@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 208549 AINZTKBCWTUYEF-JTQLQIEISA-N 231.255 2.412 5 50 BEBA O=[N+]([O-])c1c(Br)ccc(F)c1O 258827975 DKPCNOLYDNPSFP-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA O=C(O)c1cc2cc([N+](=O)[O-])ccc2o1 1389517 LZKWLHXJPIKJSJ-UHFFFAOYSA-N 207.141 2.039 5 50 BEBA CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 19640975 NFSADVUTONODAJ-UHFFFAOYSA-N 221.260 2.226 5 50 BEBA C[C@@H](C(=O)O)n1ccc2cc([N+](=O)[O-])ccc21 89643316 XVVQKMBQYXEICD-ZETCQYMHSA-N 234.211 2.195 5 50 BEBA CCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 63796 XLQFDLSLWOWCAJ-CMDGGOBGSA-N 248.282 2.476 5 50 BEBA O=[N+]([O-])c1ccn(Cc2ccccc2Cl)n1 614320 MTLHJADQYGMFGC-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA O=C1Nc2cc([N+](=O)[O-])ccc2C1(Cl)Cl 3163556 ATOMCHWTPJHUHB-UHFFFAOYSA-N 247.037 2.177 5 50 BEBA O=Cc1c(Br)cccc1[N+](=O)[O-] 12505382 WRIAMYXQKSDDRP-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl 4475546 TXCFCSJFJWGSPS-ZCFIWIBFSA-N 230.651 2.041 5 50 BEBA O=[N+]([O-])c1ncccc1N1CCCC(F)(F)C1 169725773 FEPIPHUJBHGNQR-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA Cc1cc([N+](=O)[O-])cnc1Oc1ccnc(N)c1 217691461 OYTGTFWFPYBGMV-UHFFFAOYSA-N 246.226 2.068 5 50 BEBA COc1ccc([N+](=O)[O-])cc1NC(C)C 294231 REROIBZIPDUMTP-UHFFFAOYSA-N 210.233 2.424 5 50 BEBA CCN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C 71774307 XSWGZWBYNSMUIM-QMMMGPOBSA-N 206.245 2.366 5 50 BEBA O=[N+]([O-])c1ccc(O)c(-c2ccccn2)c1 98213443 JZTWSPJNEZBBNY-UHFFFAOYSA-N 216.196 2.362 5 50 BEBA Nc1cc([N+](=O)[O-])cc(Cl)c1Cl 263624522 RHAVCTRIPXIQPP-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 90668840 URVBLBRJDUDNKP-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA C/C(N)=C/c1oc2ccc(O)cc2c1[N+](=O)[O-] 100353694 DRTCYOFXPNSIAL-XQRVVYSFSA-N 234.211 2.366 5 50 BEBA Cc1ccc(N2CCCC2=O)cc1[N+](=O)[O-] 4727660 DWKLLJZYVYIGIV-UHFFFAOYSA-N 220.228 2.030 5 50 BEBA Nc1cc([N+](=O)[O-])c(Cl)cc1Cl 2144609 ZYBHVQKBRBVBRX-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA N=C(c1cccc([N+](=O)[O-])c1)N1CCCCC1 4013973 GMZPDTFOQPSUNC-UHFFFAOYSA-N 233.271 2.406 5 50 BEBA O=c1c2cc(O)ccc2oc2ccc(O)cc12 4159394 JXMFQSCZNDSWSX-UHFFFAOYSA-N 228.203 2.357 5 50 BEBA biogenic O=[N+]([O-])c1ccc(-n2ccnc2)c(Cl)c1 4632149 KOTLGSKWTAGNAD-UHFFFAOYSA-N 223.619 2.434 5 50 BEBA CC(C)(C)[S@@](=O)Nc1ccc([N+](=O)[O-])cc1 200910848 PYWXCHYXPRACSZ-MRXNPFEDSA-N 242.300 2.469 5 50 BEBA O=c1cccc(-c2cccc([N+](=O)[O-])c2)o1 1234766 PLIGUVVZWLLPNV-UHFFFAOYSA-N 217.180 2.215 5 50 BEBA CCOc1cc(N)c([N+](=O)[O-])cc1Cl 4137017 ZQNMJROKKGEWDS-UHFFFAOYSA-N 216.624 2.229 5 50 BEBA CCOc1ccc(C(C)=O)cc1[N+](=O)[O-] 15423229 KUKYBOAHWULYHD-UHFFFAOYSA-N 209.201 2.196 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(Br)cc1 1666827 ZDFBKZUDCQQKAC-UHFFFAOYSA-N 202.007 2.357 5 50 BEBA in-vitro CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 3852529 QWDUNBOWGVRUCG-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA biogenic COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)on1 6145349 DOVZTWUWELAMQM-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA in-vitro CCNc1ncc(Cl)cc1[N+](=O)[O-] 71773871 BVLGVAQGBQYMOC-UHFFFAOYSA-N 201.613 2.075 5 50 BEBA O=[N+]([O-])c1cc(Br)ncc1Cl 261493682 GYXAMGQJBZYFRL-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA O=[N+]([O-])c1ccc(-c2nc3cccc(O)c3[nH]2)o1 97463340 HFJUERGXXSMFHV-UHFFFAOYSA-N 245.194 2.437 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 43861811 GMGZRXWZOZSBED-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl 152569 JXOMCDVAPASMML-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA CC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21 32099179 WFZCJZLWNBAQDW-UHFFFAOYSA-N 234.255 2.239 5 50 BEBA Cc1cc(Br)c(N)cc1[N+](=O)[O-] 19938767 MZYLMACPWDPBQN-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro CC(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 2164768 QRPOVEXNNJZSOO-UHFFFAOYSA-N 237.259 2.372 5 50 BEBA CCc1cnc(CNc2ccc([N+](=O)[O-])cn2)o1 170598729 VRBXPPUOTMPDGC-UHFFFAOYSA-N 248.242 2.152 5 50 BEBA Nc1nc(-c2ccccc2[N+](=O)[O-])cs1 2597274 JJERKMNYIBNFTE-UHFFFAOYSA-N 221.241 2.301 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 1540301 VYZAHLCBVHPDDF-UHFFFAOYSA-N 202.553 2.156 5 50 BEBA investigational,metabolite O=Cc1cc([N+](=O)[O-])ccc1Br 36532851 LJASZNNBVOTAAN-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro C[C@H](C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 471989 QNBWJBXYYLFGOE-JTQLQIEISA-N 248.282 2.321 5 50 BEBA O=[N+]([O-])c1cccc(-c2nnc3ccccn23)c1 1079132 HRMUSJLYQTVZQZ-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA Cn1cnc([N+](=O)[O-])c1Nc1ccccc1 3832998 YITYITULKISJMC-UHFFFAOYSA-N 218.216 2.072 5 50 BEBA CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O 36342664 ZENYDWLVVQXHOW-UHFFFAOYSA-N 224.216 2.039 5 50 BEBA O=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1081134 MYSAXQPTXWKDPQ-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro Cc1sc(-c2nsc(=O)o2)cc1[N+](=O)[O-] 2473735 ILBBOKHACYTXRK-UHFFFAOYSA-N 244.253 2.041 5 50 BEBA COc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 3132788 OMIBXXIIDXRBFF-UHFFFAOYSA-N 232.579 2.165 5 50 BEBA Cn1cnc2c1CC[N@@+](C)(Cc1ccccc1)C2 245309758 GCBXQWWPVQYOPQ-SFHVURJKSA-N 242.346 2.123 5 50 BEBA CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cn1 34624419 WIRMJKZHSYNQDD-UHFFFAOYSA-N 239.231 2.337 5 50 BEBA in-vitro O=C(NC1CC1)c1ccc([N+](=O)[O-])cc1Cl 6330164 YPXSXXSEIMTSCO-UHFFFAOYSA-N 240.646 2.140 5 50 BEBA Cc1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 38580640 NULHYMGVVXBCRS-UHFFFAOYSA-N 203.201 2.293 5 50 BEBA CC(C)Oc1ncc([N+](=O)[O-])cc1Cl 145839235 QPXJXVCEKKUHQE-UHFFFAOYSA-N 216.624 2.430 5 50 BEBA O=[N+]([O-])c1ccc(Br)n2ccnc12 606241652 PUYVTFHMAQRIAW-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1 2000723 OLDMYNWXIGPOCI-UHFFFAOYSA-N 247.004 2.266 5 50 BEBA in-vitro CCCOC(=O)c1cccc([N+](=O)[O-])c1 35101576 SOLNRIROLBHRDJ-UHFFFAOYSA-N 209.201 2.162 5 50 BEBA CCCC(CCC)(C[N+](=O)[O-])C[N+](=O)[O-] 1751889 GLRJVMXAWWETDE-UHFFFAOYSA-N 218.253 2.126 5 50 BEBA CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] 12413698 DSVPOQALVJHYNO-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA CC(C)(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 162399 SBUQQKAXTBKUJG-NSHDSACASA-N 238.287 2.016 5 50 BEBA O=[N+]([O-])c1ccc(Cl)c(Cl)c1CO 38313280 OCSXCROLWYVFAO-UHFFFAOYSA-N 222.027 2.394 5 50 BEBA O=[N+]([O-])c1ccccc1-c1ccc(CO)o1 530918 CQXMSZDBQVMXPD-UHFFFAOYSA-N 219.196 2.347 5 50 BEBA CC1(C)C[C@H](O)c2c([N+](=O)[O-])ccc(F)c21 261508251 QVVSLVRKYDDYHU-QMMMGPOBSA-N 225.219 2.449 5 50 BEBA CC(C)(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2172934 OVMGVBRRJVGAEO-UHFFFAOYSA-N 243.284 2.167 5 50 BEBA Cc1ccc(OCCNC(C)C)c([N+](=O)[O-])c1 3001001 QTBNREVKDASZRC-UHFFFAOYSA-N 238.287 2.280 5 50 BEBA Cc1c(Br)ccc([N+](=O)[O-])c1C=O 165393713 LMQABMOFTGCXHW-UHFFFAOYSA-N 244.044 2.478 5 50 BEBA COc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 95093074 HEKASLCSFSEZAP-UHFFFAOYSA-N 222.122 2.017 5 50 BEBA O=[N+]([O-])c1cc2nc(Cl)[nH]c2cc1[N+](=O)[O-] 4963951 LPHPDNLKJSQDQG-UHFFFAOYSA-N 242.578 2.033 5 50 BEBA COc1ccc([N+](=O)[O-])cc1OCC(F)F 159626318 MBRMEFBUONQHRO-UHFFFAOYSA-N 233.170 2.247 5 50 BEBA O=[N+]([O-])c1ccncc1N1CCC(F)(F)CC1 169725782 UXJGWATZLFFRRJ-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA O=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 3886827 FSYPVHLPBAAKIU-UHFFFAOYSA-N 220.228 2.008 5 50 BEBA in-vitro CSCCCN(C)c1ncccc1[N+](=O)[O-] 241132979 JNTCADCMRHJKKE-UHFFFAOYSA-N 241.316 2.179 5 50 BEBA CCN(CC(C)(C)C)c1ncc([N+](=O)[O-])cn1 408524484 UZWFMZUJGMRSOJ-UHFFFAOYSA-N 238.291 2.257 5 50 BEBA CC(F)(F)C(=O)c1cccc([N+](=O)[O-])c1 1857781170 RPRTZBYTPLJFDB-UHFFFAOYSA-N 215.155 2.433 5 50 BEBA CC(C)=CC(=O)Nc1cccc([N+](=O)[O-])c1 145675 XPMCXXRRKPANPO-UHFFFAOYSA-N 220.228 2.500 5 50 BEBA O=[N+]([O-])c1cccnc1NCCc1ccccn1 20031400 RZKQTEUJVPKLDG-UHFFFAOYSA-N 244.254 2.039 5 50 BEBA in-vitro O=Cc1cccc(Br)c1[N+](=O)[O-] 59378678 DAZQBQQNIUAQAV-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA Cc1c(N)c([N+](=O)[O-])cc(Br)c1F 12336432 BYDOVOFDXMMLLN-UHFFFAOYSA-N 249.039 2.387 5 50 BEBA COC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 575713360 YUKKCYPRANQGQT-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA O=[N+]([O-])c1cc(F)c(O)c(Br)c1 15444616 YJBBEHQOMCJIGN-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(-n2cnc3ccccc32)nc1 300240 DVYIACQXMUFTJQ-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA CCC(=O)c1cccc([N+](=O)[O-])c1NC(C)=O 4796044 KBDNZRRCHSIUKE-UHFFFAOYSA-N 236.227 2.146 5 50 BEBA O=c1oc2ccccc2c(Cl)c1[N+](=O)[O-] 58071 OFLRQEKOAGDHKT-UHFFFAOYSA-N 225.587 2.355 5 50 BEBA biogenic,in-vitro CCN(CC)Cc1cccc([N+](=O)[O-])c1 4789061 PRWBWWISPHBPIA-UHFFFAOYSA-N 208.261 2.437 5 50 BEBA C[N+]1(C)[C@H]2C=C(c3ccccc3)C[C@H]1COC2 101043175 QRSJXOCIDOERRB-GJZGRUSLSA-N 230.331 2.318 5 50 BEBA O=[N+]([O-])c1ccc2[nH]ncc2c1Br 44713412 BHTUCPXIMAPXJQ-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro Cn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 83518 KPDOVJBEKCRATD-UHFFFAOYSA-N 238.630 2.100 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1cnc(N[C@H]2CC23CCCC3)nc1 387035007 QRPCAAYIOPKEHA-VIFPVBQESA-N 234.259 2.129 5 50 BEBA CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 103295 QVWMUBXYFBHNQU-UHFFFAOYSA-N 248.282 2.467 5 50 BEBA O=[N+]([O-])c1ccc(N2CCSCC2)c(F)c1 34507373 PUZPGWLYSCSDBO-UHFFFAOYSA-N 242.275 2.287 5 50 BEBA C[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 2164833 SXMKYMZERNKBMA-ZETCQYMHSA-N 209.201 2.173 5 50 BEBA COc1cc2c(cc1/C=C/[N+](=O)[O-])O[C@@H](C)C2 4813805 SKUHFWRZMGTHMH-RTMURIBGSA-N 235.239 2.266 5 50 BEBA CCCN(CCC)c1ccc([N+](=O)[O-])c(N)n1 167772803 VCXFFEVNIMKYQD-UHFFFAOYSA-N 238.291 2.198 5 50 BEBA O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 2548211 YWJKCPJLZJWAGV-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)nc1 169725770 DXYDSNNEKNICQU-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA O=c1[nH]c2ccccc2c2nc3ccccn3c12 8578866 HTLQIPSFRWPCRL-UHFFFAOYSA-N 235.246 2.329 5 50 BEBA Cc1sc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 4088427 GTIVWUMMFWRGAJ-UHFFFAOYSA-N 202.191 2.181 5 50 BEBA Cc1noc(/C=C/c2cccnc2)c1[N+](=O)[O-] 4709234 SRWLVUSPLVSADH-SNAWJCMRSA-N 231.211 2.457 5 50 BEBA O=C(O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 170618736 DAMUJLIQLUVQGF-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA in-vitro O=[N+]([O-])c1cccc([C@@H](O)C(F)(F)F)c1 276236 BCYCXBDVLORUCU-SSDOTTSWSA-N 221.134 2.191 5 50 BEBA CCNc1ccc(C(=O)OCC)cc1[N+](=O)[O-] 3885451 IMXVAPWRGKQKOG-UHFFFAOYSA-N 238.243 2.203 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(N2CCOCC2)c(Cl)c1 4045575 ZPKGWYXJULKUEH-UHFFFAOYSA-N 242.662 2.085 5 50 BEBA in-vitro O=[N+]([O-])CCOc1cccc2ccccc12 1140991 HIPPASYKWOIHPL-UHFFFAOYSA-N 217.224 2.495 5 50 BEBA O=c1[nH]c2ccccc2c(=O)c2ccccc12 406214 USJALFVAJSYMSN-UHFFFAOYSA-N 223.231 2.042 5 50 BEBA O=[N+]([O-])c1cccc(C2OCCCO2)c1 75330 VQZDEWTWLOZYBX-UHFFFAOYSA-N 209.201 2.030 5 50 BEBA COC(=O)c1cc2cccc([N+](=O)[O-])c2o1 148137502 PQGBOQMEUQWTTH-UHFFFAOYSA-N 221.168 2.128 5 50 BEBA CCCCOc1ccc([N+](=O)[O-])c(F)n1 261494089 POXKZFWKJIFWFH-UHFFFAOYSA-N 214.196 2.308 5 50 BEBA O=[N+]([O-])c1cn(Cc2ccc(Cl)cc2)cn1 346706 MQLZQOPJQAQZOC-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA Cc1noc(/C=C/c2ccc[nH]2)c1[N+](=O)[O-] 5324723 JBLGCZUINOGJHB-SNAWJCMRSA-N 219.200 2.390 5 50 BEBA Cc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] 123355 FFWFXTHRGQCEQD-UHFFFAOYSA-N 234.255 2.139 5 50 BEBA O=[N+]([O-])c1ccc(Br)c(F)c1 2563861 AZYQMHQOHNGPRR-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro COc1cccc(OC(C)C)c1[N+](=O)[O-] 238383209 ZLTLCUWEBIXRDR-UHFFFAOYSA-N 211.217 2.391 5 50 BEBA CC(C)Oc1cnc(Cl)c([N+](=O)[O-])c1 299890073 TWCWKLSNYIAQBJ-UHFFFAOYSA-N 216.624 2.430 5 50 BEBA Nc1cc([N+](=O)[O-])ccc1C(F)(F)F 2243182 LGHXDTHJGNCRKT-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro O=C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 12956759 JIQCKYQIVYCTEZ-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1Br 1757911 CEXGTXNIIFSPSF-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1OC 2156379 YIXZESGJBGSPNH-ONEGZZNKSA-N 236.227 2.118 5 50 BEBA O=[N+]([O-])c1cc(F)ccc1-c1cc[nH]n1 725273313 UKSSKVZFYHEDPP-UHFFFAOYSA-N 207.164 2.124 5 50 BEBA O=[N+]([O-])c1cc(Cl)cnc1Br 1719745 VFMIDVIAQMFGGP-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro CCOC(=O)c1c(F)cc(F)cc1[N+](=O)[O-] 263623765 KODAHIRBODKGKU-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA O=[N+]([O-])c1ccc(Cl)c([C@@H]2[N@@]3CCC[N@@]23)c1 1857524970 CYGARIZDSGCDTF-UOJUARBOSA-N 239.662 2.183 5 50 BEBA O=Cc1cc(Br)cc([N+](=O)[O-])c1 40448373 OUDCOMBHRXKPIJ-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro Cc1ccn(C(=O)c2cccc([N+](=O)[O-])c2C)n1 2325901629 OMPAPIADLYDLQK-UHFFFAOYSA-N 245.238 2.097 5 50 BEBA Nc1ccc2oc3ccc(N)cc3c(=O)c2c1 3864882 ATLPNNQYMFUNKY-UHFFFAOYSA-N 226.235 2.111 5 50 BEBA C[C@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] 4401843 XVONMMVMTMGHJV-LURJTMIESA-N 230.651 2.041 5 50 BEBA COc1cc([N+](=O)[O-])ccc1N=S(C)C 16134160 RFYMYYANCHHWKT-UHFFFAOYSA-N 228.273 2.296 5 50 BEBA CC(C)n1c(=O)oc2cc([N+](=O)[O-])ccc21 95495681 PCJXQVJIUFVRTH-UHFFFAOYSA-N 222.200 2.084 5 50 BEBA CCc1ncc(Br)cc1[N+](=O)[O-] 95629906 JDMZSVDTYPUKEX-UHFFFAOYSA-N 231.049 2.315 5 50 BEBA in-vitro O=[N+]([O-])c1nc(Br)ccc1Cl 238586530 SIHUBOUXEKQVOS-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 4127893 KUAYZLXOOIEGDN-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA COC(=O)Oc1c(C)cccc1[N+](=O)[O-] 25539335 DKNUUVMXUFWELE-UHFFFAOYSA-N 211.173 2.048 5 50 BEBA O=[N+]([O-])c1ccc([C@H]2CCCNC2)cc1 63772272 IFEPNLVXIOKMEY-JTQLQIEISA-N 206.245 2.062 5 50 BEBA O=[N+]([O-])c1cc(F)ccc1N1CCSC1 169725310 OYSVOBSBWDEWND-UHFFFAOYSA-N 228.248 2.245 5 50 BEBA CC[n+]1c(C)sc2ccc([N+](=O)[O-])cc21 225606 QAWVDEVGXLDOOR-UHFFFAOYSA-N 223.277 2.425 5 50 BEBA O=C1CCCCN1c1ccc([N+](=O)[O-])cc1 85210505 VPCQXIGQMFWXII-UHFFFAOYSA-N 220.228 2.112 5 50 BEBA in-vitro CC(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83795446 SDAZNQIANQCKSL-UHFFFAOYSA-N 242.662 2.386 5 50 BEBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1 40540 NHQVTLVXDDSCLW-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA O=Cc1ccc(-c2ncccc2[N+](=O)[O-])cc1 3883967 LOARMPVDLIAIOJ-UHFFFAOYSA-N 228.207 2.469 5 50 BEBA O=[N+]([O-])c1ccccc1N[C@H]1CC[C@H](O)CC1 242495779 GQGDKTBKAXHVCD-MGCOHNPYSA-N 236.271 2.310 5 50 BEBA CCNCc1cc([N+](=O)[O-])ccc1OCC 2887309 HOLZGJLCSJLGPL-UHFFFAOYSA-N 224.260 2.103 5 50 BEBA Nc1nnc(/C=C/c2cccc([N+](=O)[O-])c2)s1 4833534 DNNGSBJELCTEJW-SNAWJCMRSA-N 248.267 2.199 5 50 BEBA O=[N+]([O-])c1cc([N+](=O)[O-])c2ncccc2c1 38252302 BGFSMXPMBZGPQL-UHFFFAOYSA-N 219.156 2.051 5 50 BEBA C[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)O1 284520 POWZYXIYDYGNMD-KWQFWETISA-N 223.228 2.419 5 50 BEBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1F 1706143 RXVKLMKODREOIW-UHFFFAOYSA-N 220.543 2.296 5 50 BEBA CCOc1ccc([N+](=O)[O-])c(OC)c1F 38537187 YCZOCLPRDIJFAL-UHFFFAOYSA-N 215.180 2.141 5 50 BEBA in-vitro O=C(O)c1ccc([N+](=O)[O-])c(Br)c1 2529198 KKPPNEJUUOQRLE-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro O=[N+]([O-])c1c(Br)ccc2[nH]ncc12 117655980 DBGNSUIGFOYOKG-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA COC(=O)c1[nH]c2ccccc2c1C[N+](C)(C)C 392837 FNHCJXPDGUPFBB-UHFFFAOYSA-O 247.318 2.161 5 50 BEBA O=[N+]([O-])c1cccnc1OC1CCCC1 238592936 QKNOMEFDBBQBOO-UHFFFAOYSA-N 208.217 2.311 5 50 BEBA Nc1cc(Br)c(F)cc1[N+](=O)[O-] 82046449 CRBGRCCXVAWOCO-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 118913 CHBDOPARQRNCDM-UHFFFAOYSA-N 221.241 2.301 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1cc(F)c(Nc2cnc[nH]2)c(F)c1 225533292 YXWRMJNTUPFUAZ-UHFFFAOYSA-N 240.169 2.340 5 50 BEBA CC(C)(C)OC(=O)C1(CC[N+](=O)[O-])CCC1 1857785812 RJTPFBJAJPANEE-UHFFFAOYSA-N 229.276 2.165 5 50 BEBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C 435831 XRMDPZVCMLIHJA-UHFFFAOYSA-N 222.244 2.498 5 50 BEBA CC(C)C[C@H](N)C(=O)c1ccc([N+](=O)[O-])cc1 6262888 YWIZUYZCDDZPOD-NSHDSACASA-N 236.271 2.151 5 50 BEBA O=[N+]([O-])c1ccc2nc(S)sc2c1 12375137 QPOZGXKWWKLJDK-UHFFFAOYSA-N 212.255 2.493 5 50 BEBA in-vitro COc1cc(OC)c([N+](=O)[O-])cc1Cl 1682073 MEIDXJUMYYOXHN-UHFFFAOYSA-N 217.608 2.265 5 50 BEBA O=[N+]([O-])c1ccc2ncnc(Cl)c2c1 38540034 LZOSFEDULGODDH-UHFFFAOYSA-N 209.592 2.191 5 50 BEBA in-vitro C[N+](C)(CCCCC(=O)O)C[Si](C)(C)C 195812442 ZAQSIUSGLJFEKY-UHFFFAOYSA-O 232.420 2.195 5 50 BEBA O=C1CCSc2ccc([N+](=O)[O-])cc2N1 196115804 CFYXOEJKAQZZSQ-UHFFFAOYSA-N 224.241 2.029 5 50 BEBA O=[N+]([O-])c1cc2c(cc1Br)OCO2 1443425 WXXFALFBNSJISM-UHFFFAOYSA-N 246.016 2.086 5 50 BEBA in-vitro Cc1cc(OCC(=O)O)c([N+](=O)[O-])cc1Cl 2380256 PQAJOTWEIQHUIQ-UHFFFAOYSA-N 245.618 2.020 5 50 BEBA Nc1ncc(-c2ccc([N+](=O)[O-])cc2)s1 113872501 BJKVXIXSKUDRGN-UHFFFAOYSA-N 221.241 2.301 5 50 BEBA O=[N+]([O-])c1cc(F)c(Br)cc1O 148709637 RYSFWISANLBRRZ-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA CC[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 2823091 GEIDTAPRRNMISM-SNVBAGLBSA-N 238.287 2.362 5 50 BEBA Cc1ccc([N+](=O)[O-])c(Br)n1 8698263 IHHLJCDGOSZFTB-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro CN(C)c1ccc(Cl)cc1[N+](=O)[O-] 16757486 QOMAYFFYZHAPEH-UHFFFAOYSA-N 200.625 2.314 5 50 BEBA Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 375212 NNBAZVUVMQINHE-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA O=C(Nc1ccccn1)c1ccccc1[N+](=O)[O-] 1514468 OSCGFJLUUDMUFI-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA CCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4792545 QYTAXIIQSIQLGK-UHFFFAOYSA-N 238.243 2.342 5 50 BEBA Nc1cc(Br)c(F)c([N+](=O)[O-])c1 85476968 QOGWFKJMBVQBNM-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA Cc1cc(O)c([N+](=O)[O-])cc1Br 66325569 DNYRLBZBDGVLHF-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA in-vitro C/C(=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 4706022 KSKLHQQKAFMWSA-VOTSOKGWSA-N 208.173 2.232 5 50 BEBA O=[N+]([O-])c1cnn(Cc2cccc(Cl)c2)c1 2863326 SUIBHGCRRHPUKH-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA O=[N+]([O-])c1cc(Cl)ncc1Br 42689591 WXOVZVORCQADFC-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 1512238 QDCPXRWNBXWBPZ-UHFFFAOYSA-N 235.239 2.491 5 50 BEBA CCCCCCSC[C@H](O)C[N+](C)(C)C 4831663 UKIDXVLRLLHZIO-GFCCVEGCSA-N 234.429 2.367 5 50 BEBA CN(C)c1ccc([N+](=O)[O-])c(Cl)c1 7023208 WIMREYFCEAFIOB-UHFFFAOYSA-N 200.625 2.314 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 39120349 HWINPPGAOTYOJH-UHFFFAOYSA-N 229.619 2.343 5 50 BEBA in-vitro CCOC(=O)CCc1cccc([N+](=O)[O-])c1 106490664 AAOZBFMIZGCKAI-UHFFFAOYSA-N 223.228 2.091 5 50 BEBA Cc1c(N)c(Cl)cc([N+](=O)[O-])c1F 306599899 SFHHTYFTYGNHKG-UHFFFAOYSA-N 204.588 2.278 5 50 BEBA COc1cc([N+](=O)[O-])c2nccc(C)c2c1 1843189 KPCFAJYWXDJETH-UHFFFAOYSA-N 218.212 2.460 5 50 BEBA O=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1 3877848 BDBMOQCOLZWAIO-UHFFFAOYSA-N 242.662 2.085 5 50 BEBA CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1081080 PFBQVGXIMLXCQB-VMPITWQZSA-N 221.212 2.171 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])c2ccccc2c1O 5042014 BKJGTMMYYDMXBB-UHFFFAOYSA-N 247.206 2.240 5 50 BEBA O=[N+]([O-])c1ccc(F)c(Br)c1 1845791 FAWMTDSAMOCUAR-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccc2nc(Cl)cnc2c1 353576 QVWIAHPYYLBQFI-UHFFFAOYSA-N 209.592 2.191 5 50 BEBA CCOCCOc1ccccc1[N+](=O)[O-] 57950982 YBMQABXNYDZJNE-UHFFFAOYSA-N 211.217 2.010 5 50 BEBA COc1c(Br)cccc1[N+](=O)[O-] 19872893 YAYBLVOBUIXMQY-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro CC/C=C/CCn1cccc([N+](=O)[O-])c1=O 186087280 RFWKSSRWJUAVNX-ONEGZZNKSA-N 222.244 2.113 5 50 BEBA NC(=O)c1cccc2c(=O)oc3ccccc3c12 577532 WSVCWCFPGVDIGZ-UHFFFAOYSA-N 239.230 2.045 5 50 BEBA O=[N+]([O-])c1ccn(Cc2cccc(Cl)c2)n1 37046 FPLCBZBUHUXELU-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA O=C(O)c1cccnc1-c1cccc([N+](=O)[O-])c1 8729954 ITNITUABPMVBJY-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C 4793897 MTLUGHXVCAAHEJ-ONEGZZNKSA-N 220.228 2.418 5 50 BEBA CCN(CC)c1cc(N)c([N+](=O)[O-])cc1F 5064137 KANQTUPVKFIUGA-UHFFFAOYSA-N 227.239 2.162 5 50 BEBA O=[N+]([O-])c1ccc2c(Cl)ncnc2c1 353578 CCCGYXZEVXWXAU-UHFFFAOYSA-N 209.592 2.191 5 50 BEBA in-vitro OC[C@@H]1C[C@@H]2CCCC[N@@+]2(Cc2ccccc2)O1 252428164 RTNPHJYOQAZHEN-JYJNAYRXSA-N 248.346 2.252 5 50 BEBA CCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4793944 VKCKFUNGEWCDIH-UHFFFAOYSA-N 208.217 2.252 5 50 BEBA Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2(C)C 57341397 CKYUFXYKKWJKCC-UHFFFAOYSA-N 234.255 2.157 5 50 BEBA Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])no1 442279 YYDXMKKGEURJGK-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA O=C(O)c1cc(Br)cc([N+](=O)[O-])c1 1676676 AXRKIZCFYZBBPX-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro CN(C)Cc1c[nH]c2c([N+](=O)[O-])cccc12 1696483 YLVPUBNLOINGDI-UHFFFAOYSA-N 219.244 2.138 5 50 BEBA in-vitro CC(C)COc1cc(C(=O)O)ccc1[N+](=O)[O-] 36225935 OFVWCLJLGYDWJZ-UHFFFAOYSA-N 239.227 2.328 5 50 BEBA Cn1nc(Cl)c2cccc([N+](=O)[O-])c21 38885307 XMJAKLDPCWYSIM-UHFFFAOYSA-N 211.608 2.135 5 50 BEBA in-vitro C[C@H](C(=O)O)n1ccc2cc([N+](=O)[O-])ccc21 89643317 XVVQKMBQYXEICD-SSDOTTSWSA-N 234.211 2.195 5 50 BEBA C[C@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])n2)C1 252480877 CFRLVHVKGMZKSC-UWVGGRQHSA-N 238.291 2.403 5 50 BEBA O=C(O)c1cc2ccccc2c([N+](=O)[O-])c1O 208488 WLAMQCOVSYQBOE-UHFFFAOYSA-N 233.179 2.152 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])c(Cl)s1 8698525 IJSXVHIIYIMVTM-UHFFFAOYSA-N 221.621 2.096 5 50 BEBA in-vitro Cc1cc(CCCC(=O)O)c([N+](=O)[O-])cc1F 22007039 FLDSODKYHOICTB-UHFFFAOYSA-N 241.218 2.450 5 50 BEBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 53931 CAKBAYWOHIUVHR-UHFFFAOYSA-N 234.255 2.221 5 50 BEBA O=[N+]([O-])c1ccc([C@@H]2OCCS2)cc1 6093230 SXYNPHRNAFQAKD-SECBINFHSA-N 211.242 2.357 5 50 BEBA CCOC(=O)NSc1ccccc1[N+](=O)[O-] 5592199 HLKCHHWGHAJDEY-UHFFFAOYSA-N 242.256 2.348 5 50 BEBA COc1cc([N+](=O)[O-])cc2cc(C(=O)O)oc12 2545030 IOZHCNSHXMWQNV-UHFFFAOYSA-N 237.167 2.048 5 50 BEBA CC(C)(C)c1cnnn1-c1cccc([N+](=O)[O-])c1 192397 XZOOXAHBVSJCDA-UHFFFAOYSA-N 246.270 2.473 5 50 BEBA CC(=O)Nc1oncc1-c1ccc([N+](=O)[O-])cc1 2518960 LIFRESVMXSOGTQ-UHFFFAOYSA-N 247.210 2.208 5 50 BEBA COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 14007565 MLFKUEQFNLAOQT-UHFFFAOYSA-N 227.241 2.103 5 50 BEBA O=c1c([N+](=O)[O-])c[nH]c2ccc(Cl)cc12 16697617 OBLXWQXWGDQTSW-UHFFFAOYSA-N 224.603 2.090 5 50 BEBA CC1(C)Sc2ccc([N+](=O)[O-])cc2NC1=O 4051328 JGKPDJFYHWQMSQ-UHFFFAOYSA-N 238.268 2.418 5 50 BEBA C[N+]1([C@H]2CC[C@H]3CC[C@H]2C3=O)CCCCC1 217449932 JDBUIALORGDZRH-UPJWGTAASA-N 222.352 2.375 5 50 BEBA biogenic O=[N+]([O-])c1ccc(-c2csnn2)cc1 106252 VLRKUBATYOJPSP-UHFFFAOYSA-N 207.214 2.113 5 50 BEBA in-vitro COc1ccc([N+](=O)[O-])cc1-c1ccc(CO)o1 8727769 DBIUEGFQCOCBGU-UHFFFAOYSA-N 249.222 2.356 5 50 BEBA O=[N+]([O-])c1ccc(Br)s1 1103311 ZPNFMDYBAQDFDY-UHFFFAOYSA-N 208.036 2.419 5 50 BEBA in-vitro O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC1 3159422 PNYIMHVLTKZLCN-VOTSOKGWSA-N 246.266 2.230 5 50 BEBA Cc1c(NC(=O)C(C)C)cccc1[N+](=O)[O-] 4842166 HJHBLGXGUOPGMY-UHFFFAOYSA-N 222.244 2.498 5 50 BEBA CC[C@@H](C)Nc1c([N+](=O)[O-])ccc2nonc12 4093887 PZOUICPNMGBSLI-ZCFIWIBFSA-N 236.231 2.341 5 50 BEBA COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1 2040124 BAFQDKPJKOLXFZ-UHFFFAOYSA-N 247.143 2.375 5 50 BEBA CCOC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4952158 JZLZCBGFXWWBBC-UHFFFAOYSA-N 240.215 2.172 5 50 BEBA COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 4181852 UYQJTXQJNZMDBI-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)on1 520231 PORQPQFJPVHBLR-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA in-vitro COc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1 8972857 OHAPQWWWLIQUPZ-UHFFFAOYSA-N 248.242 2.379 5 50 BEBA COc1cc([N+](=O)[O-])c2ncccc2c1 119885 MIMUSZHMZBJBPO-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA in-vitro COc1cc([N+](=O)[O-])c(F)cc1Cl 170104 CRONHBXGPYQWHX-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA in-vitro CC(C)(C)OC(=O)C(C)(C)C(C)(C)[N+](=O)[O-] 3074827 BAODFBGHGFCGDS-UHFFFAOYSA-N 231.292 2.410 5 50 BEBA O=C(O)c1ccc([N+](=O)[O-])c2ccccc12 4533369 BQBFFSOHVNNCSP-UHFFFAOYSA-N 217.180 2.446 5 50 BEBA CCCC[C@H](CC(=O)OCC)C[N+](=O)[O-] 144470590 CJCKANNWBYPUFI-SECBINFHSA-N 217.265 2.023 5 50 BEBA CN(C)/C=C/c1cc(Cl)ncc1[N+](=O)[O-] 71782779 ZKXSBZKRONWVMK-ONEGZZNKSA-N 227.651 2.176 5 50 BEBA in-vitro Cc1ccc(C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 101980 YINSSIRNLKVQHE-UHFFFAOYSA-N 236.271 2.432 5 50 BEBA CC(=O)n1ccc2ccc([N+](=O)[O-])cc21 199736256 KGDIMUBURADHIJ-UHFFFAOYSA-N 204.185 2.210 5 50 BEBA CCNc1cc(OCC)ccc1[N+](=O)[O-] 95494791 HXENCKXLRLEUBN-UHFFFAOYSA-N 210.233 2.425 5 50 BEBA Cc1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1 4903407 BDKMAUNYQNSIQU-UHFFFAOYSA-N 220.228 2.252 5 50 BEBA CC(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 299499 VJCNHNOAONXMRF-UHFFFAOYSA-N 242.662 2.386 5 50 BEBA Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 4244902 YCGFVAPIBALHRT-UHFFFAOYSA-N 222.122 2.076 5 50 BEBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 64625194 HJRJRUMKQCMYDL-UHFFFAOYSA-N 247.550 2.065 5 50 BEBA in-vitro CCN(CC)Cc1ccc([N+](=O)[O-])cc1 1671535 OENCDYVUUXJNLG-UHFFFAOYSA-N 208.261 2.437 5 50 BEBA CCCOc1ncc(Cl)cc1[N+](=O)[O-] 95751526 FXBCHVPAZGFQSD-UHFFFAOYSA-N 216.624 2.432 5 50 BEBA Cc1c(C(=O)N2CCCC2)cccc1[N+](=O)[O-] 272264 UMYTWYYPGACUCY-UHFFFAOYSA-N 234.255 2.139 5 50 BEBA O=[N+]([O-])c1ccc(-n2cc[nH]c2=S)cc1 2528147 NAHKZPQOMYCQIE-UHFFFAOYSA-N 221.241 2.443 5 50 BEBA O=C(O)c1cc2cccnc2c2ncccc12 6896478 UCJSMIWAXWPDOJ-UHFFFAOYSA-N 224.219 2.481 5 50 BEBA O=C1CCc2ccc([N+](=O)[O-])cc2CC1 31776626 YQPLEYWTKAXWAD-UHFFFAOYSA-N 205.213 2.043 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(-c2cscn2)cn1 669379283 BANSSZWNYPZSMR-UHFFFAOYSA-N 207.214 2.113 5 50 BEBA O=[N+]([O-])c1cc(Br)ccc1F 2582087 UQEANKGXXSENNF-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA biogenic,in-vitro O=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 4288322 AONHBESCCBXPAD-UHFFFAOYSA-N 220.228 2.008 5 50 BEBA in-vitro Cc1cc[n+]([O-])cc1Oc1ccc([N+](=O)[O-])cc1 96028201 KKGPCPZSIAZEFD-UHFFFAOYSA-N 246.222 2.329 5 50 BEBA CC[N+](CC)(CC)CNC(=O)c1ccccc1 408575 UPYOBDUPHKGCLK-UHFFFAOYSA-O 235.351 2.250 5 50 BEBA CN(C)Cc1c[nH]c2cccc([N+](=O)[O-])c12 1697284 NTWUAOHAQNZERF-UHFFFAOYSA-N 219.244 2.138 5 50 BEBA CCN(CC)c1ccc(C(=O)O)cc1[N+](=O)[O-] 3878597 VOFUNOGTXBURFB-UHFFFAOYSA-N 238.243 2.139 5 50 BEBA Cc1cc2cc([N+](=O)[O-])ccc2oc1=O 153914 PWANMOIIIMORBV-UHFFFAOYSA-N 205.169 2.010 5 50 BEBA in-vitro CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl 39259527 JFEBEHFIJNRGAT-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA Cc1cc(Br)c(O)c([N+](=O)[O-])c1 2035716 ABMPSIRCVCUHLO-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA CCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2156130 YVJJFRFIHKPAIH-UHFFFAOYSA-N 208.217 2.252 5 50 BEBA CCOC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 3852439 TYZGTJMAADYXIW-UHFFFAOYSA-N 224.216 2.472 5 50 BEBA biogenic CCCCNCCNc1ccc([N+](=O)[O-])cc1 216703355 QKOWUHLRFYQLLJ-UHFFFAOYSA-N 237.303 2.396 5 50 BEBA O=Cc1ccc([N+](=O)[O-])c(Br)c1 5427010 ZVNHPTMSLSAAET-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA CCN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1 37248019 MRVFZPHNDANYPK-UHFFFAOYSA-N 240.234 2.216 5 50 BEBA CCOc1cc(F)c([N+](=O)[O-])cc1F 145203161 WYUIHXOCVSQXOX-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1F 1845591 INUOFQAJCYUOJR-UHFFFAOYSA-N 213.061 2.290 5 50 BEBA in-vitro Cc1ccnc(Sc2ccc([N+](=O)[O-])cn2)n1 810571 UYDZRLRDOSHFHL-UHFFFAOYSA-N 248.267 2.239 5 50 BEBA CC(C)(CO)Nc1ccc(Cl)cc1[N+](=O)[O-] 4142066 TUJXRTYLPBNKML-UHFFFAOYSA-N 244.678 2.431 5 50 BEBA CNc1cc(Br)ccc1[N+](=O)[O-] 39956324 FTVGSRGPTYFWRQ-UHFFFAOYSA-N 231.049 2.399 5 50 BEBA in-vitro COC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 47202458 VMDFHCYVCFQUFV-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA N=[S@](=O)(c1ccc([N+](=O)[O-])cc1)C1CC1 114749210 NONWGPPTZUAPQU-HNNXBMFYSA-N 226.257 2.163 5 50 BEBA O=[N+]([O-])c1ccc(Cl)c(C2[N@]3CCC[N@@]23)c1 1857524969 CYGARIZDSGCDTF-STQMWFEESA-N 239.662 2.183 5 50 BEBA COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 56539 JWOSXVMUUBWGOL-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro CNc1cccc(Br)c1[N+](=O)[O-] 32914663 CSEVRXHXBSVRQN-UHFFFAOYSA-N 231.049 2.399 5 50 BEBA in-vitro CC(=O)c1cc([N+](=O)[O-])cc(F)c1F 95929570 PLTMHFLCEOZGLP-UHFFFAOYSA-N 201.128 2.076 5 50 BEBA in-vitro CCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-] 34304634 YNIMKYLYDRQUQA-UHFFFAOYSA-N 238.243 2.203 5 50 BEBA CCNc1nc(Cl)ccc1[N+](=O)[O-] 34415204 TXERJEKFMCQUFL-UHFFFAOYSA-N 201.613 2.075 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(NCC2(CCO)CC2)cc1 157237359 BIOZAIYEHHLICX-UHFFFAOYSA-N 236.271 2.169 5 50 BEBA O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1 1603644 IWWQPBHGXPDITK-UHFFFAOYSA-N 235.243 2.223 5 50 BEBA Nc1ccc(-c2ccc(N)cc2[N+](=O)[O-])cc1 2165126 YYNCOERMULFLJD-UHFFFAOYSA-N 229.239 2.426 5 50 BEBA biogenic COC(=O)c1cc(OC)c(Cl)c([N+](=O)[O-])c1 43827873 QNYHMMOXMRPWTK-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA in-vitro NC(=O)c1c([N+](=O)[O-])ccc(Cl)c1Cl 231229204 LMPPXMYJPZKDMH-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA CCOC(=O)c1cccc([N+](=O)[O-])c1C 4838589 XINYBVBBEWUEPZ-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA COc1cc(C=O)cc([N+](=O)[O-])c1OC(C)C 2873821 PPFDTGKKTMZWHG-UHFFFAOYSA-N 239.227 2.203 5 50 BEBA COc1cc(-c2ccc([N+](=O)[O-])nc2)ccn1 725242469 IKSSSJDEMXLTAD-UHFFFAOYSA-N 231.211 2.060 5 50 BEBA O=[N+]([O-])[C@]1(Br)C[C@H]2CC[C@H]1C2 958528325 MTLCEOOTCSLNII-LYFYHCNISA-N 220.066 2.174 5 50 BEBA O=[N+]([O-])c1ccc(F)c(Br)c1O 34139505 AVUSAMCYDUMVNY-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA in-vitro O=C(O)c1ccc(Br)c([N+](=O)[O-])c1 2563646 RVCTZJVBWNFYRU-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro NCCCNc1c(Cl)cccc1[N+](=O)[O-] 4199117 XLGJONGCVYYHRJ-UHFFFAOYSA-N 229.667 2.009 5 50 BEBA CCCCNCc1ccccc1[N+](=O)[O-] 20044312 IBGHUBDZSCNRTD-UHFFFAOYSA-N 208.261 2.485 5 50 BEBA COc1cc([N+](=O)[O-])ccc1-c1ccc(CO)o1 359382 OOCLDNHWEUYUES-UHFFFAOYSA-N 249.222 2.356 5 50 BEBA Cc1cc(Br)c([N+](=O)[O-])cc1N 36532865 VNSOWZDCHBKTGR-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro O=[N+]([O-])c1c(O)cc(F)cc1Br 259431611 JSDDOSCMCKFTAZ-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA O=C(O)CSc1ccc(Cl)cc1[N+](=O)[O-] 5784690 ANONGKPSZGTEJI-UHFFFAOYSA-N 247.659 2.425 5 50 BEBA COc1cc([N+](=O)[O-])ccc1N1CCCC1 55562798 ULBJILHSWMGASA-UHFFFAOYSA-N 222.244 2.204 5 50 BEBA CC(C)Nc1cc(C(=O)O)ccc1[N+](=O)[O-] 95494785 GELWNFNXTXIYIH-UHFFFAOYSA-N 224.216 2.113 5 50 BEBA Cc1cc(O)cc2ncc([N+](=O)[O-])cc12 38639 LMEJBPOCEVFJMP-UHFFFAOYSA-N 204.185 2.157 5 50 BEBA O=c1ccc([N+](=O)[O-])ccc1Nc1ccccn1 4794087 XSSOSJHRUVFLJJ-UHFFFAOYSA-N 243.222 2.094 5 50 BEBA CCOc1cc(Cn2ccnc2)ccc1[N+](=O)[O-] 276856142 FRSXFUFRRTWBMX-UHFFFAOYSA-N 247.254 2.238 5 50 BEBA O=[N+]([O-])c1cccc(OCCCn2ccnc2)c1 4842689 MTNZQGCUWNZGOW-UHFFFAOYSA-N 247.254 2.260 5 50 BEBA O=[N+]([O-])c1ccc(OC(F)(F)F)cc1 81468 UBEIKVUMDBCCRW-UHFFFAOYSA-N 207.107 2.493 5 50 BEBA in-vitro CO[C@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 272745356 JEAUJSZYDHPBLC-MRVPVSSYSA-N 249.270 2.288 5 50 BEBA Cc1nc2c([N+](=O)[O-])c(N)ccc2s1 4255810 ZPEZOKCEBQVVDN-UHFFFAOYSA-N 209.230 2.095 5 50 BEBA CCOC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21 37222318 VGDUQCDAGWCFCT-UHFFFAOYSA-N 248.238 2.113 5 50 BEBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccncc1 3897745 BUWUTMCDTKSWDV-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA O=[N+]([O-])c1ccc(OC2CCCC2)nc1F 261494002 NWNVGMIYCXTKRQ-UHFFFAOYSA-N 226.207 2.450 5 50 BEBA O=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 3883972 BNNMEAFYZHALEC-UHFFFAOYSA-N 234.255 2.398 5 50 BEBA in-vitro O=Cc1ccc(Br)cc1[N+](=O)[O-] 14989270 GSXUXSXBEUJRAJ-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro COc1cc(Br)cc([N+](=O)[O-])c1 2526842 MEQKSFQEPDRNEQ-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro CC[C@@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 14007385 RJRSBLADCYAQKP-SNVBAGLBSA-N 223.228 2.261 5 50 BEBA in-vitro O=[N+]([O-])[C@H]1C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2 104304677 NJFWXJSGSFMKNS-OEZYJKACSA-N 205.257 2.398 5 50 BEBA O=[N+]([O-])c1ccc(CNc2cnns2)cc1 2532445 JUAYBIQFDKJUFD-UHFFFAOYSA-N 236.256 2.058 5 50 BEBA COc1c(F)c(C)cc([N+](=O)[O-])c1F 261493848 KPNBJASTMJDLBH-UHFFFAOYSA-N 203.144 2.190 5 50 BEBA CC(=O)Cc1cc([N+](=O)[O-])ccc1Cl 2386183 AMDVRMUSPZTKEV-UHFFFAOYSA-N 213.620 2.380 5 50 BEBA O=[N+]([O-])c1ccnc(Br)c1Cl 95931490 ISDWIGKURABZNN-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA CN1[C@H]2CCCC[C@H]1[C@H]1CC[C@H]2CC[N+]1(C)C 247649596 MIQFXIAZYJXPSD-ZQDZILKHSA-N 237.411 2.488 5 50 BEBA Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1 314023 YFSGTGJLLRVDJS-UHFFFAOYSA-N 203.201 2.089 5 50 BEBA CNc1ncc(Br)c(C)c1[N+](=O)[O-] 65337468 FUXNDASZVILVLM-UHFFFAOYSA-N 246.064 2.102 5 50 BEBA in-vitro Nc1cc([N+](=O)[O-])c(F)cc1Br 74934294 FBVOIJABNHHFIF-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA CCN(CC)CCOc1cccc([N+](=O)[O-])c1 4843115 MDUHKPRZIVINRA-UHFFFAOYSA-N 238.287 2.315 5 50 BEBA in-vitro O=[N+]([O-])c1cccnc1N1CCCC(F)(F)C1 169725761 OMIMANNMDIPKRD-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA O=[N+]([O-])c1ccc(-n2nccc2Cl)cc1 3132163 ZHNLKYJYAQPZNK-UHFFFAOYSA-N 223.619 2.434 5 50 BEBA COc1ccc([N+](=O)[O-])c(Br)c1 19872895 RYKPDLZQIABTMY-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1O 38418146 RAYDAZNGWRHBJP-UHFFFAOYSA-N 239.227 2.256 5 50 BEBA Nc1c(F)cc(C(F)(F)F)cc1[N+](=O)[O-] 169801794 LFJROXCNNAAYME-UHFFFAOYSA-N 224.113 2.335 5 50 BEBA CC/C=C/CNc1ncc([N+](=O)[O-])s1 295074737 WVOSFHRYGFOOGO-ONEGZZNKSA-N 213.262 2.429 5 50 BEBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl 1577556 BPPMIQPXQVIZNJ-UHFFFAOYSA-N 202.553 2.156 5 50 BEBA Cc1n[nH]c(NCc2ccccc2)c1[N+](=O)[O-] 5012641 IPEIATPXMUVJLJ-UHFFFAOYSA-N 232.243 2.238 5 50 BEBA O=[N+]([O-])c1ccc(OC(F)(F)F)cc1O 140888740 MBOIPPULJYXNPE-UHFFFAOYSA-N 223.106 2.199 5 50 BEBA Cc1c([N+](=O)[O-])ccc(O)c1Br 1507294 HTUNRWSWIRFPQX-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA in-vitro CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-] 4416964 BJQJYGBOWKQYTR-UHFFFAOYSA-N 243.694 2.222 5 50 BEBA CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 146671 FHLKNAGHERYTJV-UHFFFAOYSA-N 222.244 2.123 5 50 BEBA O=[N+]([O-])c1cccc([C@H](O)C(F)(F)F)c1 276231 BCYCXBDVLORUCU-ZETCQYMHSA-N 221.134 2.191 5 50 BEBA O=[N+]([O-])c1cccn2c1nc1ccccc12 689670529 IJRIBVDAFKHJIA-UHFFFAOYSA-N 213.196 2.396 5 50 BEBA O=Cc1cc(F)c(Br)cc1[N+](=O)[O-] 114045965 AYSVJBVDPZARKA-UHFFFAOYSA-N 248.007 2.309 5 50 BEBA COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 38876674 FMFPOZLVAJOEHS-UHFFFAOYSA-N 221.168 2.128 5 50 BEBA O=[N+]([O-])c1cc(Br)c(F)cc1O 42784482 ZMSFGDZCAYKXOE-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA in-vitro CCOC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1670364 TYYXOWPEFVCPDV-BQYQJAHWSA-N 221.212 2.171 5 50 BEBA in-vitro CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] 4404169 PXXMBAOADHXJSE-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA in-vitro COc1cc([N+](=O)[O-])c(OC)cc1Cl 122471 ORLPGMKKCAEWOW-UHFFFAOYSA-N 217.608 2.265 5 50 BEBA CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)O 6048920 JCYZYNZBXPNNEZ-JTQLQIEISA-N 239.227 2.145 5 50 BEBA Cc1[nH]nc(NC2CCCCC2)c1[N+](=O)[O-] 16677491 NUFOTDFIBHQZDO-UHFFFAOYSA-N 224.264 2.371 5 50 BEBA O=c1ccn(C2CC2)c2ccc([N+](=O)[O-])cc12 1772574299 JWBGROWVXJEYBZ-UHFFFAOYSA-N 230.223 2.245 5 50 BEBA CCOc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1 272997 POZWQJYPVMMEGC-UHFFFAOYSA-N 233.227 2.384 5 50 BEBA CC(C)(C)OC(=O)n1ccc([N+](=O)[O-])c1 261494350 VNQWHGKCPXVNQD-UHFFFAOYSA-N 212.205 2.180 5 50 BEBA O=C(c1ccncc1)c1cc([N+](=O)[O-])ccc1F 1083097089 XFXYOZGVSIULFM-UHFFFAOYSA-N 246.197 2.360 5 50 BEBA Cc1cc([N+](=O)[O-])cc(Br)c1N 3884499 DCNWQCOXGLGSRC-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 2525761 BPCKZQCTLCTDST-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro CCCCOc1ncc(C)cc1[N+](=O)[O-] 175135549 KJTKBEYAJQHGLX-UHFFFAOYSA-N 210.233 2.477 5 50 BEBA O=[N+]([O-])c1ccc(-c2ccc(CO)o2)cc1 56986 SRCRGLMTENDDRR-UHFFFAOYSA-N 219.196 2.347 5 50 BEBA biogenic,in-vitro C[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@H]1C 252448802 SJZKKJDKHOYPBP-VROVMSAKSA-N 223.228 2.417 5 50 BEBA COc1cc2c(cc1/C=C/[N+](=O)[O-])O[C@H](C)C2 4813803 SKUHFWRZMGTHMH-MPJRPATESA-N 235.239 2.266 5 50 BEBA NN=c1c2ccccc2oc2ccccc12 5379482 YKCRYRUJSCXWIP-UHFFFAOYSA-N 210.236 2.360 5 50 BEBA Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1 5423216 HZGPNJQZKRDJDL-UHFFFAOYSA-N 203.201 2.089 5 50 BEBA Cc1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 1059194 YZOZJZKQCLGWLK-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 4126590 DMIMWGHYIPFAIF-UHFFFAOYSA-N 221.260 2.167 5 50 BEBA O=C(NCc1ccco1)c1cccc([N+](=O)[O-])c1 335088 ZRUFGTGGCIUPEC-UHFFFAOYSA-N 246.222 2.118 5 50 BEBA CC(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 2164765 USILEDFVCLGVPP-UHFFFAOYSA-N 223.232 2.125 5 50 BEBA O=[N+]([O-])c1ccc(Br)cc1F 2387727 VQCWSOYHHXXWSP-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA Cc1cccc2c(=O)c3cnccc3[nH]c12 238532971 XESGCZVTAMZXMQ-UHFFFAOYSA-N 210.236 2.385 5 50 BEBA O=[N+]([O-])c1ccc(C2=NCCS2)cc1 376679 MJKNSOPAEQZIEG-UHFFFAOYSA-N 208.242 2.088 5 50 BEBA CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])o1 1233450 SLOORKXUFLBPSL-UHFFFAOYSA-N 240.259 2.450 5 50 BEBA Nc1cc(Br)cc([N+](=O)[O-])c1F 71790079 KHADFTHWUPIKQM-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro CC1CN(c2ccc(F)cc2[N+](=O)[O-])C1 170597206 PHTZUEXLVBABAY-UHFFFAOYSA-N 210.208 2.190 5 50 BEBA CCNCc1c(Cl)cccc1[N+](=O)[O-] 82582684 GYMAJCHBEYGNAE-UHFFFAOYSA-N 214.652 2.358 5 50 BEBA Cc1nc(NC(=O)C2CC=CC2)ccc1[N+](=O)[O-] 133992149 PBAGYARWRZFFCQ-UHFFFAOYSA-N 247.254 2.203 5 50 BEBA Cc1n[nH]cc1-c1ccc(F)cc1[N+](=O)[O-] 725271198 ABHONKBOOSRZBQ-UHFFFAOYSA-N 221.191 2.432 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F 5253243 BLMWCZBKCOBVAM-UHFFFAOYSA-N 234.133 2.096 5 50 BEBA biogenic,in-vitro CCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 3131468 OCUKFCRZNSCAQO-UHFFFAOYSA-N 209.201 2.196 5 50 BEBA CC(C)(C)Nc1ccc2nonc2c1[N+](=O)[O-] 4006691 QEAIZBWPDXRIIE-UHFFFAOYSA-N 236.231 2.341 5 50 BEBA Nc1cc(N2CCCC2)c(Cl)cc1[N+](=O)[O-] 4052867 LNMLENQCZLQTDO-UHFFFAOYSA-N 241.678 2.431 5 50 BEBA CN=c1ccc2nc3ccccc3n(C)c-2c1 334156966 TYWBPEJQINSBBI-UHFFFAOYSA-N 223.279 2.209 5 50 BEBA C[C@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])n2)C1 252480878 CFRLVHVKGMZKSC-VHSXEESVSA-N 238.291 2.403 5 50 BEBA Cc1conc1CNc1nccc(C)c1[N+](=O)[O-] 708354721 VTIYEEPSTQEUID-UHFFFAOYSA-N 248.242 2.207 5 50 BEBA NCCCNc1ccc([N+](=O)[O-])cc1Cl 4599302 SMLZMZSLFAGBLG-UHFFFAOYSA-N 229.667 2.009 5 50 BEBA CCCNc1cc(C(=O)O)ccc1[N+](=O)[O-] 95494784 CBDBJRSTTWCHGK-UHFFFAOYSA-N 224.216 2.115 5 50 BEBA O=Cc1ccc(Br)c([N+](=O)[O-])c1 319744 SAFSVELFSYQXOV-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro COC(=O)c1cc(C)c(Cl)c([N+](=O)[O-])c1 132174397 SOZUENKOINTEGW-UHFFFAOYSA-N 229.619 2.343 5 50 BEBA Cc1c(NC(=O)N2CC=CC2)cccc1[N+](=O)[O-] 585120027 IHBJNQSJNHUIQY-UHFFFAOYSA-N 247.254 2.307 5 50 BEBA CC(C)[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 467518 VTVBRUYVJLLQEG-SNVBAGLBSA-N 223.228 2.419 5 50 BEBA Cc1nccn1-c1ccccc1[N+](=O)[O-] 74937708 TWNQAHMNBIOXCZ-UHFFFAOYSA-N 203.201 2.089 5 50 BEBA O=C(O)c1cccc2nc3ccccc3nc12 4090655 JGCSKOVQDXEQHI-UHFFFAOYSA-N 224.219 2.481 5 50 BEBA biogenic,in-vitro O=C(c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 6320824 OLBZXLMVXOLTRU-UHFFFAOYSA-N 216.196 2.154 5 50 BEBA O=Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 82237867 QLLHNXOKFCMSQR-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA in-vitro CC(C)=CC(=O)Nc1ccc([N+](=O)[O-])cc1 4056708 FNZQIVHPBICQPB-UHFFFAOYSA-N 220.228 2.500 5 50 BEBA Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 2388601 XBTSHQYPEYHCPX-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA CCCCCCOC(=O)c1c[nH]nc1[N+](=O)[O-] 3833183 KWRRXIVIAJNUBB-UHFFFAOYSA-N 241.247 2.055 5 50 BEBA Cc1nnc(-c2cccc([N+](=O)[O-])c2)s1 616622 FWNWWLPULDIZGU-UHFFFAOYSA-N 221.241 2.422 5 50 BEBA NC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1 263623471 HSLCHLCPHAYEGQ-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA COc1cc([N+](=O)[O-])ccc1-c1cnco1 16123575 AOIXGUQZJVAHKJ-UHFFFAOYSA-N 220.184 2.258 5 50 BEBA OC[C@@H]1C[C@@H]2CCCC[N@+]2(Cc2ccccc2)O1 252428163 RTNPHJYOQAZHEN-HRCADAONSA-N 248.346 2.252 5 50 BEBA O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1 38516 WPHOKOCRXFVQBA-UHFFFAOYSA-N 224.191 2.082 5 50 BEBA COC(=O)Nc1ccc([N+](=O)[O-])cc1C 4583111 PZIWYTJHXWAKOZ-UHFFFAOYSA-N 210.189 2.082 5 50 BEBA O=C(O)CCNc1ccc(Cl)cc1[N+](=O)[O-] 4582624 CUJKGDAPMSUCRL-UHFFFAOYSA-N 244.634 2.135 5 50 BEBA CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 57351642 PKKLIUDCVJOQJQ-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA COc1c(C(C)=O)cc(C)c(C)c1[N+](=O)[O-] 337665 QZKDOYNNESJXCM-UHFFFAOYSA-N 223.228 2.423 5 50 BEBA O=c1oc(=O)c2ccccc2c2ccccc12 388294 RTSGJTANVBJFFJ-UHFFFAOYSA-N 224.215 2.306 5 50 BEBA in-vitro c1ccc2nc3cc4n[nH]nc4cc3nc2c1 19790406 CTTFAZWLYOYEEZ-UHFFFAOYSA-N 221.223 2.054 5 50 BEBA O=[N+]([O-])[C@@H]1C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2 257357319 NJFWXJSGSFMKNS-SRQGCSHVSA-N 205.257 2.398 5 50 BEBA CC(C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2023565 NIRCWCOZBNPIEE-UHFFFAOYSA-N 226.188 2.290 5 50 BEBA CC[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 1602548 XBGNOMBPRQVJSR-SECBINFHSA-N 209.201 2.173 5 50 BEBA in-vitro Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 8383093 GGGVOOMKPJYWDF-UHFFFAOYSA-N 241.159 2.028 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(F)c(F)c1NC1CC1 53162682 ZJCMNSWNFKRDHG-UHFFFAOYSA-N 214.171 2.447 5 50 BEBA in-vitro O=[N+]([O-])c1cnc(Cl)c(Br)c1 1628308 PTTQIUHVDDBART-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro C[C@@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1 4837805 QMOOMHGHQYTCLO-HQZHTGGTSA-N 205.213 2.257 5 50 BEBA Cc1nc([N+](=O)[O-])ccc1Br 139411046 WEZKULYNVOIOOV-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA CC[C@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCC1 2141598 ZDERJVKTWAPGLU-QMMMGPOBSA-N 216.237 2.021 5 50 BEBA Cc1cccc([N+](=O)[O-])c1N1CCCCC1=O 40545823 OLXMOBCFXJNHRZ-UHFFFAOYSA-N 234.255 2.420 5 50 BEBA O=C(NC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] 483086 KTIKUVKUIPKCSR-UHFFFAOYSA-N 240.646 2.140 5 50 BEBA CCc1ccc(Oc2nc([N+](=O)[O-])nn2C)cc1 528528 ZPPITAAFEOZERU-UHFFFAOYSA-N 248.242 2.078 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 96321167 MYJAKYQVMDBEOM-UHFFFAOYSA-N 229.619 2.343 5 50 BEBA in-vitro Nc1nc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 96032069 GVUDDAXTJZAQQM-UHFFFAOYSA-N 241.556 2.244 5 50 BEBA O=[N+]([O-])c1ncccc1N1CCC(F)(F)CC1 169725774 PEAJNIGJQAESLK-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 4662527 RUTZAPJQKZLQDJ-UHFFFAOYSA-N 242.662 2.388 5 50 BEBA CC(C)(CNc1ccccc1[N+](=O)[O-])C(=O)O 164879733 MWUFPXJUKXAKJK-UHFFFAOYSA-N 238.243 2.118 5 50 BEBA COc1ncc(Br)c(C)c1[N+](=O)[O-] 8698177 BGDKJBCVNNWITN-UHFFFAOYSA-N 247.048 2.069 5 50 BEBA in-vitro CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 261122 CWRIIGJCKWITQT-UHFFFAOYSA-N 222.244 2.123 5 50 BEBA CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1081483 BLNLZRQIUGDTAO-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2c(c1)nc1ccccn12 1423122 UZKUAAKXKWTZJN-UHFFFAOYSA-N 213.196 2.396 5 50 BEBA Cc1[nH]nc(NCCc2ccccc2)c1[N+](=O)[O-] 4009628 SAECEWKHBDZUOT-UHFFFAOYSA-N 246.270 2.281 5 50 BEBA Cc1cc([N+](=O)[O-])cc(Br)n1 39644682 BVBRVPXLHHOEMP-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro CCOC(=O)Nc1ccccc1[N+](=O)[O-] 4256453 AUDONQPVYRSJNX-UHFFFAOYSA-N 210.189 2.163 5 50 BEBA O=[N+]([O-])c1c(Cl)nc(Cl)nc1Cl 2172890 QGFWFWSBFMRDNP-UHFFFAOYSA-N 228.422 2.345 5 50 BEBA O=C(O)c1cccc(-c2ccc([N+](=O)[O-])cn2)c1 2563829 NLHLQKGYMCYSQS-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA O=Cc1cc([N+](=O)[O-])c(Br)cc1F 14007759 ZAROJBMUUUKZBH-UHFFFAOYSA-N 248.007 2.309 5 50 BEBA O=[N+]([O-])c1ccc(CN2CCSCC2)s1 19536781 KDEXSFJUFTYGEA-UHFFFAOYSA-N 244.341 2.205 5 50 BEBA C[N+]1([C@@H]2CC[C@H]3CC[C@H]2[C@@H]3O)CCCCC1 239433786 YLUJMEVKOOGTDN-AAVRWANBSA-N 224.368 2.166 5 50 BEBA biogenic COC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4902229 ZVDQXXVABSAEGK-UHFFFAOYSA-N 210.189 2.082 5 50 BEBA O=[N+]([O-])c1ccc(Br)c(O)c1 91682324 KNJNITQHVLIWBN-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro Cn1c(=O)ccc2ccc3cccnc3c21 391504 IXAWJXFNSQYESB-UHFFFAOYSA-N 210.236 2.087 5 50 BEBA COc1ccc([N+](=O)[O-])c2ccc(C)nc12 8306576 ANYICLJOTYWVFL-UHFFFAOYSA-N 218.212 2.460 5 50 BEBA NC(=O)c1ccc(Cl)c(Cl)c1[N+](=O)[O-] 263623484 HVOBRYHFMDBPCI-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA O=C(Nc1ccccn1)c1cccc([N+](=O)[O-])c1 38970 YSNFSBABFQPALZ-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA Cc1nccn1-c1ccc([N+](=O)[O-])cc1 4244870 GSDHPOQTEXEBDN-UHFFFAOYSA-N 203.201 2.089 5 50 BEBA CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 117050712 SUJUEXRFMHSCFR-UHFFFAOYSA-N 235.239 2.190 5 50 BEBA COc1cc(C)c(/C=C/C(=O)O)cc1[N+](=O)[O-] 5724768 RXFVKUIWJIYOHR-ONEGZZNKSA-N 237.211 2.010 5 50 BEBA CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] 101910 BMADOZDALQJUFQ-UHFFFAOYSA-N 222.244 2.123 5 50 BEBA COc1ccc(OC)c(/C=C(\C)[N+](=O)[O-])c1 4695273 MQFREHNTGKNSRH-SOFGYWHQSA-N 223.228 2.341 5 50 BEBA in-vitro COc1ccc2ncc([N+](=O)[O-])cc2c1 1442922 LMMZXVJDJDOXEA-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA O=[N+]([O-])c1cc(F)cc(Br)c1O 2243119 DFHGOCSWFGXYSQ-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA in-vitro C[C@@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])n2)C1 252480879 CFRLVHVKGMZKSC-ZJUUUORDSA-N 238.291 2.403 5 50 BEBA Cc1ccccc1Cn1nc([N+](=O)[O-])cc1C 2537793 HHNLXDQLUQGGJY-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA CNc1c([N+](=O)[O-])cnn1-c1ccc(C)cc1 5218342 LBICDZLPOYIPOY-UHFFFAOYSA-N 232.243 2.131 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 47202461 UXZDZQOOXZOOKV-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA in-vitro Cc1cc2nc3ccc(O)cc3nc2cc1N 5419715 KWBJTBKOXIZLGY-UHFFFAOYSA-N 225.251 2.379 5 50 BEBA in-vitro C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 272835 YOQXJJARPAWPJV-QMMMGPOBSA-N 238.243 2.060 5 50 BEBA CCCCOc1cc(C(=O)O)ccc1[N+](=O)[O-] 1707944 RITZSLUFIIRTTQ-UHFFFAOYSA-N 239.227 2.472 5 50 BEBA Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cn1 4881568 BUVFVGRENLDRDK-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA O=[N+]([O-])c1cc2oc(O)nc2cc1Cl 1681253 UXRRICZTIWOWDF-UHFFFAOYSA-N 214.564 2.095 5 50 BEBA in-vitro O=[N+]([O-])c1cncc(Br)c1Cl 8698170 FTQGEZJTBYMEIH-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro O=[N+]([O-])c1c(CO)cccc1C(F)(F)F 169801716 AANGBUMPGPSFDG-UHFFFAOYSA-N 221.134 2.106 5 50 BEBA CN(C)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 52530532 MHIRUPHZSNZDCI-AATRIKPKSA-N 237.215 2.035 5 50 BEBA in-vitro Cn1c2cccc(=N)c-2cc2cc(N)ccc21 585678933 WZZOHIAUZWAFKK-UHFFFAOYSA-N 223.279 2.345 5 50 BEBA Nc1c(F)cc(Br)cc1[N+](=O)[O-] 4334584 UXLRNUCHBXKRBL-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro O=[N+]([O-])c1cc(F)ccc1Br 2516088 XRXNWKIKQFEOGO-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1cc(O)cc(C(F)(F)F)c1 2541350 JDIAMHNYAPDMRB-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro O=[N+]([O-])c1cc(F)c2c(Cl)n[nH]c2c1 14983723 HETKCEGRFLRGPE-UHFFFAOYSA-N 215.571 2.264 5 50 BEBA in-vitro Cc1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-] 14985725 VYTLFULGOMUAMK-UHFFFAOYSA-N 216.580 2.465 5 50 BEBA CCCNCCNc1ccc([N+](=O)[O-])cc1 54267419 GYBLTBQLHOIUSV-UHFFFAOYSA-N 223.276 2.006 5 50 BEBA O=c1c([N+](=O)[O-])cccn1C[C@H]1C[C@H]2CC[C@H]1C2 253425742 CRFXVCSCUFIXND-GARJFASQSA-N 248.282 2.193 5 50 BEBA O=[N+]([O-])c1cnn(C[C@H]2C[C@H]3CC[C@H]2C3)c1 408175452 ZNUDERNCVHHAHD-LPEHRKFASA-N 221.260 2.228 5 50 BEBA Cn1c(C=O)ccc1-c1cccc([N+](=O)[O-])c1 612659 IZVXUVKGJAZCHT-UHFFFAOYSA-N 230.223 2.413 5 50 BEBA CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 35082348 RUFWJCXCVXSNQN-UHFFFAOYSA-N 241.268 2.250 5 50 BEBA COC(=O)c1ncoc1-c1cccc([N+](=O)[O-])c1 97756842 WBPNWMWZZXGUIH-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA O=C1CCCCN1c1cccc([N+](=O)[O-])c1 2524426 NLPWUBGYXAACRK-UHFFFAOYSA-N 220.228 2.112 5 50 BEBA O=[N+]([O-])c1ccc(O)cc1Br 35636647 SZYVPWPBRABKAB-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro CCN(CC)C(=O)Cc1cccc([N+](=O)[O-])c1 65740242 HFSQKWOCPGQJCY-UHFFFAOYSA-N 236.271 2.006 5 50 BEBA in-vitro O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 255400 PJMSJOVJUFYHTQ-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA O=[N+]([O-])c1ccc(-c2cccc(O)c2)cn1 725270270 ZDWYGYKSKMHZGI-UHFFFAOYSA-N 216.196 2.362 5 50 BEBA O=[N+]([O-])c1cnc2ccc(Br)cn12 20358104 UNZUDRAJUWZDNT-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA O=[N+]([O-])c1ccc2oc(Br)nc2c1 85221331 NRIUPKKUFSXWEA-UHFFFAOYSA-N 243.016 2.499 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 85224880 XBARJDIECXHLTI-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA CCOc1cc(F)c(F)c([N+](=O)[O-])c1 263623252 FYISIGXWPLZRIB-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA O=[N+]([O-])c1ccc(N2CCCCCC2)nc1 19640715 CWRQTUKXBRCCOS-UHFFFAOYSA-N 221.260 2.370 5 50 BEBA C[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O1 140078072 XDNXNKYDMUJERW-OIBJUYFYSA-N 209.201 2.029 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccon1 5041902 QGQGLCIXDNHZKD-UHFFFAOYSA-N 248.198 2.227 5 50 BEBA CSc1ccc([N+](=O)[O-])cc1NC(C)=O 2171942 WIHOTALZIKUKRM-UHFFFAOYSA-N 226.257 2.275 5 50 BEBA CCc1cc(C(C)=O)c(OC)c([N+](=O)[O-])c1 2511067 MIKMQTBFVWNHMR-UHFFFAOYSA-N 223.228 2.368 5 50 BEBA CNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4688222 JMXXKCFKWMHVBR-UHFFFAOYSA-N 221.260 2.237 5 50 BEBA CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CCC2 5383142 HXPPAQKBNKPAMW-UHFFFAOYSA-N 220.228 2.042 5 50 BEBA O=[N+]([O-])c1ccc(N2CCCCC2)c2nonc12 4006784 KQERZOAUQVHYLM-UHFFFAOYSA-N 248.242 2.121 5 50 BEBA Cc1cc([N+](=O)[O-])c(CC(=O)O)cc1Cl 95495545 YNSRHOWGWYFOQN-UHFFFAOYSA-N 229.619 2.184 5 50 BEBA Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 5783320 OPXGPTXSLFZVCA-UHFFFAOYSA-N 208.004 2.000 5 50 BEBA in-vitro CC(C)(C)OC(=O)Cc1cccc([N+](=O)[O-])c1 72297720 MEFVPZNVGGXZQJ-UHFFFAOYSA-N 237.255 2.479 5 50 BEBA O=[N+]([O-])c1cccnc1N1CCCCCC1 261508335 RLYKPJZAGVYWRU-UHFFFAOYSA-N 221.260 2.370 5 50 BEBA Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 4283592 JBXZCPXEYAEMJS-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA O=[N+]([O-])c1cc(Br)ccc1O 36377933 CUTFAPGINUFNQM-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(-c2ncnc(Cl)n2)c1 43220540 XKTNKDXCEGXHEA-UHFFFAOYSA-N 236.618 2.100 5 50 BEBA C=Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 252479292 BCPASKZTWWSPHW-UHFFFAOYSA-N 229.239 2.483 5 50 BEBA COc1cc([N+](=O)[O-])ccc1-n1cccc1C=O 2582729 IWNJMRJOVNSYHZ-UHFFFAOYSA-N 246.222 2.207 5 50 BEBA COc1ccc([N+](=O)[O-])cc1OC(C)C 31777034 KRMWWKXKXPFGSF-UHFFFAOYSA-N 211.217 2.391 5 50 BEBA Cc1cccc2c1nc1ccccc1[n+]2[O-] 4426039 BKSUFVWLIXTKHV-UHFFFAOYSA-N 210.236 2.330 5 50 BEBA COc1c(C(C)=O)cc(C)cc1[N+](=O)[O-] 2511068 XCNAPKFGEIQXKT-UHFFFAOYSA-N 209.201 2.114 5 50 BEBA in-vitro O=C(O)c1cc([N+](=O)[O-])c(Cl)s1 8698526 FZKDYXWPDMALDM-UHFFFAOYSA-N 207.594 2.008 5 50 BEBA in-vitro Cc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 14986130 UECPDWARCDGMQV-UHFFFAOYSA-N 216.580 2.465 5 50 BEBA in-vitro O=[N+]([O-])c1c(N2CCCCC2)ccc2nonc12 4828881 CFHXBWIKVJEUGP-UHFFFAOYSA-N 248.242 2.121 5 50 BEBA CC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 2745245 NYTBNNHPQVULBM-VIFPVBQESA-N 236.271 2.432 5 50 BEBA COc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] 31777071 MJFJWOAETHEGGW-UHFFFAOYSA-N 239.618 2.200 5 50 BEBA O=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 25725545 CTSYMGKKRHIYIH-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA in-vitro O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Cl 476014 ZMZVYACIWILHEA-UHFFFAOYSA-N 240.646 2.140 5 50 BEBA O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-] 3861250 QVQSOXMXXFZAKU-UHFFFAOYSA-N 202.553 2.156 5 50 BEBA in-vitro CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 103325 XKXSZQPEOSWWTH-QMMMGPOBSA-N 222.244 2.123 5 50 BEBA O=[N+]([O-])c1ccccc1OCCN1CCCC1 4989984 NUXRMDMMIIYPHL-UHFFFAOYSA-N 236.271 2.069 5 50 BEBA Cc1cc(Cl)c([N+](=O)[O-])cc1C(=O)O 34520872 KKNSDWSYFJIEKU-UHFFFAOYSA-N 215.592 2.255 5 50 BEBA in-vitro CCOc1cc(F)cc(F)c1[N+](=O)[O-] 263623965 MFTQWQVRCBNYFR-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA Cc1cc(Br)cc([N+](=O)[O-])c1O 62152887 KWNYDIOUTKEIFL-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA in-vitro CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C 44559807 FVLFCHIARZIKGV-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-] 31352 WJDNQCITOMEIGG-UHFFFAOYSA-N 249.251 2.304 5 50 BEBA O=[N+]([O-])c1ccc(SC(F)F)nc1 757136221 NALQIGKNPGTIRB-UHFFFAOYSA-N 206.173 2.305 5 50 BEBA Cc1cc(N)c2cc([N+](=O)[O-])ccc2n1 26461076 BJGZNGVTLAUJID-UHFFFAOYSA-N 203.201 2.034 5 50 BEBA in-vitro O=Cc1cccc([N+](=O)[O-])c1Br 39410734 ZAYPDOMLBUBLDN-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA in-vitro COc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 432690 OUONANJCTLACQN-UHFFFAOYSA-N 245.238 2.369 5 50 BEBA Cc1ncc([N+](=O)[O-])n1Cc1cccc(F)c1 1423870 MTVLADRZIIFXLJ-UHFFFAOYSA-N 235.218 2.287 5 50 BEBA CCN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 1732355 MGLQHMGZCTZIJT-UHFFFAOYSA-N 237.259 2.469 5 50 BEBA C[N+](C)(C)CCCCC[N+]1(C)CCCC1 585152281 JQDLGOBFUBDWRV-UHFFFAOYSA-N 214.397 2.103 5 50 BEBA COC(=O)Cc1cc(Cl)c(C)cc1[N+](=O)[O-] 97756836 STBZYPMLJSQNNS-UHFFFAOYSA-N 243.646 2.272 5 50 BEBA CCOC(=O)/C=C/c1ccc(F)c([N+](=O)[O-])c1 146451095 NAKRVGGZMCRECC-GQCTYLIASA-N 239.202 2.310 5 50 BEBA C[C@@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)O1 284522 POWZYXIYDYGNMD-KCJUWKMLSA-N 223.228 2.419 5 50 BEBA CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 298881 YFPMJGHIACIVOS-UHFFFAOYSA-N 242.662 2.386 5 50 BEBA CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1687159 HBYHYLBZPLCIEE-UHFFFAOYSA-N 226.188 2.332 5 50 BEBA O=Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 95830164 GWFTUORCGNGELH-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1O 156016 XZEDEVRSUANQEM-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccc2nc(-c3ccccn3)cn2c1 1775970671 PVWWQZPRAPXSBA-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA O=[N+]([O-])c1cc(O)c(F)cc1Br 77028225 FCGBLTVXZYYMCD-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)o1 4460015 DGQPUDXFIFWALJ-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA CCOc1ccc([N+](=O)[O-])cc1OCC 20177415 DTYUTSMRCQYVNW-UHFFFAOYSA-N 211.217 2.392 5 50 BEBA in-vitro COc1cccc(-c2ccc([N+](=O)[O-])c(N)n2)c1 81947202 IHAULJOVNZTPOO-UHFFFAOYSA-N 245.238 2.248 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(F)cc1Br 2569269 VGYVBEJDXIPSDL-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 4839449 GGCSULIHUASPSP-UHFFFAOYSA-N 242.662 2.388 5 50 BEBA CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 17086984 PHZYNEDUPZITLO-UHFFFAOYSA-N 209.230 2.193 5 50 BEBA O=Cc1cc(Br)c([N+](=O)[O-])s1 36533235 VVTSZQWGTDZBFV-UHFFFAOYSA-N 236.046 2.231 5 50 BEBA Cc1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 2504919 BDDPVHVBYYSHBM-SNAWJCMRSA-N 207.185 2.001 5 50 BEBA Cn1c(Cl)nc2ccc([N+](=O)[O-])cc21 39118625 KXMTWHCGFNZHTG-UHFFFAOYSA-N 211.608 2.135 5 50 BEBA CCOc1c(/C=C/[N+](=O)[O-])cccc1OC 473466 IPURVYVDFUARIT-BQYQJAHWSA-N 223.228 2.341 5 50 BEBA in-vitro COc1nc(C)c(Br)cc1[N+](=O)[O-] 34435113 VQVXYSCNTSWXJC-UHFFFAOYSA-N 247.048 2.069 5 50 BEBA CCOC(=O)c1cccc(C)c1[N+](=O)[O-] 35101662 GORJIFRUPPQKPQ-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA in-vitro Cc1cnc(N2CCC3(CC3)C2)c([N+](=O)[O-])c1 588040551 CRPNYZNPSKQLPP-UHFFFAOYSA-N 233.271 2.289 5 50 BEBA O=Cc1cccn1-c1ccccc1[N+](=O)[O-] 4237803 LMLICLRBZPFXMK-UHFFFAOYSA-N 216.196 2.198 5 50 BEBA in-vitro CCN1CCCc2ccc([N+](=O)[O-])cc21 22011245 TUCATNRJGJWEKT-UHFFFAOYSA-N 206.245 2.367 5 50 BEBA in-vitro CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 103322 XKXSZQPEOSWWTH-MRVPVSSYSA-N 222.244 2.123 5 50 BEBA O=c1ccc2nccc3c4ccccc4n1c23 898052 ZERVJPYNQLONEK-UHFFFAOYSA-N 220.231 2.439 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccccc1I 1700192 JXMZUNPWVXQADG-UHFFFAOYSA-N 249.007 2.199 5 50 BEBA O=[N+]([O-])c1cc(Cl)ccc1NCCCO 4511976 JHJLKWHUMFLDJE-UHFFFAOYSA-N 230.651 2.043 5 50 BEBA Cc1cc(CNC2CC2)cc([N+](=O)[O-])c1 115231560 OZNJPDRBTFJELI-UHFFFAOYSA-N 206.245 2.155 5 50 BEBA CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 246279 ZSCZOPFLXZFDQA-UHFFFAOYSA-N 246.222 2.464 5 50 BEBA Cc1cc(=O)oc2c(C)c(O)c([N+](=O)[O-])cc12 36031913 FMANVVQEVGBGGQ-UHFFFAOYSA-N 235.195 2.024 5 50 BEBA biogenic O=[N+]([O-])c1cc2c(Cl)ncnc2s1 118255545 XULYQYBOEGZFKK-UHFFFAOYSA-N 215.621 2.253 5 50 BEBA in-vitro CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 2546501 BSVMKZQSUKHMQP-ZCFIWIBFSA-N 213.189 2.143 5 50 BEBA O=[N+]([O-])c1ccc(Oc2ccncc2)nc1 263623072 DLBPIPOTQLGMJP-UHFFFAOYSA-N 217.184 2.177 5 50 BEBA C[N+](C)(C)CCCC[N+]1(C)CCCCC1 585152330 QBVAIVLOBLSKDF-UHFFFAOYSA-N 214.397 2.103 5 50 BEBA O=[N+]([O-])c1c(F)cccc1N1CC(F)(F)C1 169725316 ZTLPWFBIFYWXFQ-UHFFFAOYSA-N 232.161 2.189 5 50 BEBA O=[N+]([O-])c1ccnc(Oc2ccncc2)c1 263622996 CTDONDSHUUBZNF-UHFFFAOYSA-N 217.184 2.177 5 50 BEBA COc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 47212295 VZGHMCGCQCEIRQ-UHFFFAOYSA-N 222.122 2.017 5 50 BEBA C1CCC(CC[N+]23CCN(CC2)CC3)CC1 201129303 KGEGEAZNZUMUNT-UHFFFAOYSA-N 223.384 2.103 5 50 BEBA Nc1c([N+](=O)[O-])cc2c3c(cccc13)CC2 4558847 VWJYDQVCIUABSV-UHFFFAOYSA-N 214.224 2.429 5 50 BEBA CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])c(F)c1 39328860 BMOAQMNPJSPXIU-ZETCQYMHSA-N 241.218 2.401 5 50 BEBA CC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 95708176 YVUJOZKEYOULOV-UHFFFAOYSA-N 207.229 2.461 5 50 BEBA CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 123366 GUZQWLDWGVOZLL-UHFFFAOYSA-N 248.282 2.467 5 50 BEBA Cc1c(Br)cncc1[N+](=O)[O-] 39239872 WFCIQRPATFRBOY-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro O=Cc1cc([N+](=O)[O-])ccc1OC(F)(F)F 138970480 BYJIGJLBSZLEGI-UHFFFAOYSA-N 235.117 2.306 5 50 BEBA O=[N+]([O-])c1ccc(O)cc1/C=C/c1ccncn1 157298333 OFAOXPBXCRWOPV-OWOJBTEDSA-N 243.222 2.261 5 50 BEBA Nc1c(Br)ccc(F)c1[N+](=O)[O-] 306516279 BMCZVATWQFWJOA-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA O=[N+]([O-])c1cc2nccnc2cc1Cl 155712 GVENYEPMSTYETH-UHFFFAOYSA-N 209.592 2.191 5 50 BEBA O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 562679 DUDZAZPWJFTDPV-UHFFFAOYSA-N 249.144 2.241 5 50 BEBA in-vitro C[N+]1(C)CC[C@H](CCC[C@H]2CC[N+](C)(C)C2)C1 1857799077 MYMJVCKRHHHMSH-GJZGRUSLSA-N 240.435 2.349 5 50 BEBA CCN(CC)Cc1cc([N+](=O)[O-])ccc1OC 3106194 DULLEXPLYIAHDR-UHFFFAOYSA-N 238.287 2.445 5 50 BEBA N=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 4013970 VQBVTGHQVFHDCY-UHFFFAOYSA-N 233.271 2.406 5 50 BEBA COc1ccc(-c2ccc([N+](=O)[O-])c(N)n2)cc1 72446997 WLALRLWLJWSIKI-UHFFFAOYSA-N 245.238 2.248 5 50 BEBA O=[N+]([O-])c1ccc(C(F)(F)F)cc1CO 95080204 GQOSINQFQQRBFR-UHFFFAOYSA-N 221.134 2.106 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(C2=NCCS2)c1 376676 ODDGNCOLWASLCW-UHFFFAOYSA-N 208.242 2.088 5 50 BEBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 3884511 XCCYGUOUNHECSY-UWVGGRQHSA-N 236.271 2.208 5 50 BEBA O=[N+]([O-])c1ccc(O)cc1C(F)(F)F 35052112 ZEFMBAFMCSYJOO-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 4577307 DNUIVCQNUPJXIA-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA in-vitro COc1cc([N+](=O)[O-])ccc1OC(C)C 4782830 RYPKJYFTUYYSFV-UHFFFAOYSA-N 211.217 2.391 5 50 BEBA O=[N+]([O-])c1c(F)cccc1N1CCSC1 169725318 HYHCWRQDOIQXRE-UHFFFAOYSA-N 228.248 2.245 5 50 BEBA COC(=O)c1cc(OC)c(Cl)cc1[N+](=O)[O-] 261507182 GHSRHFQGTJBYBD-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA CCCOc1c(C)cc(N)cc1[N+](=O)[O-] 7023436 FOMPROSWPGGXAZ-UHFFFAOYSA-N 210.233 2.274 5 50 BEBA COc1cc(F)c(Cl)cc1[N+](=O)[O-] 113541539 WGZSTQPRYUSALF-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA in-vitro CC(=O)c1ccc(N(C)CCF)c([N+](=O)[O-])c1 408524718 YFZDINRTGLXLQR-UHFFFAOYSA-N 240.234 2.203 5 50 BEBA CN(C)c1ccc(Br)cc1[N+](=O)[O-] 22610960 GAHIRXNSTICIBY-UHFFFAOYSA-N 245.076 2.423 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(SC2CCNCC2)cc1 43191065 OYPYTEAXSGHYIH-UHFFFAOYSA-N 238.312 2.439 5 50 BEBA O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 218307 RHXOPVFYZBGQGA-UHFFFAOYSA-N 236.230 2.408 5 50 BEBA CC(C)(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 348242 XNLZARSNKDQBKL-NSHDSACASA-N 238.287 2.016 5 50 BEBA CC(C)n1ccc(=O)c2cc([N+](=O)[O-])ccc21 1772574296 GZDXXLQGYGWGBL-UHFFFAOYSA-N 232.239 2.491 5 50 BEBA O=C(O)c1cccc2c(=O)c3ccccc3[nH]c12 4521064 BATAOFZEDHPRTM-UHFFFAOYSA-N 239.230 2.380 5 50 BEBA Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 3861498 PZPZDEIASIKHPY-UHFFFAOYSA-N 242.234 2.408 5 50 BEBA in-vitro O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)CCCC2 4128051 XYARKBJAQYVUJO-UHFFFAOYSA-N 222.200 2.382 5 50 BEBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C 4894306 OLUQCHSXHDYOTM-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA in-vitro CCOC(=O)N1CCc2cc([N+](=O)[O-])ccc21 15109112 SYKQIUQNZZTHTO-UHFFFAOYSA-N 236.227 2.114 5 50 BEBA O=[N+]([O-])c1ccc(Cl)c(CO)c1Cl 163529 SBOJVVSPAOOEEB-UHFFFAOYSA-N 222.027 2.394 5 50 BEBA in-vitro O=C(c1ccc([N+](=O)[O-])o1)N1CCCCCC1 3319780 CFBAPNSGBMBYEX-UHFFFAOYSA-N 238.243 2.204 5 50 BEBA N=c1oc2ccc3ccccc3c2cc1C(N)=O 5669549 VNHCIICJCYBUKX-UHFFFAOYSA-N 238.246 2.164 5 50 BEBA COc1ccc(Cl)c([N+](=O)[O-])c1F 261493774 IYJQIXWTMWDXKW-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA COc1cc2c(cc1[N+](=O)[O-])CCCC2 5320563 LRDDQDMKDSLXCZ-UHFFFAOYSA-N 207.229 2.482 5 50 BEBA COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15443001 WYTRZKAYPKZGCN-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA CC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 4276733 PFFDKLGOPDBQQD-UHFFFAOYSA-N 232.598 2.346 5 50 BEBA COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C 302197 VNURAKZXFQJJMG-UHFFFAOYSA-N 238.243 2.198 5 50 BEBA CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc2O1 12649674 SKWGQIKSBYQUAP-UHFFFAOYSA-N 221.212 2.339 5 50 BEBA in-vitro Nc1c([N+](=O)[O-])ccc(Br)c1F 238562939 SCAQBSHGBYKWET-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA CCOc1cc(F)cc([N+](=O)[O-])c1F 263623091 DNRIPAVIXQMREV-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA CCCC(=O)Nc1c(O)cccc1[N+](=O)[O-] 223620310 UNRCOYCKBKXIHZ-UHFFFAOYSA-N 224.216 2.039 5 50 BEBA in-vitro C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C(C)(C)C1 408220221 UIUYJLQVLWSGPA-MRVPVSSYSA-N 236.275 2.010 5 50 BEBA O=[N+]([O-])c1ccccc1CN1CCCC1 277813 HKQNARFNHJRRLM-UHFFFAOYSA-N 206.245 2.191 5 50 BEBA CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 153780 GTZAIVBXGPLYGD-UHFFFAOYSA-N 234.211 2.253 5 50 BEBA O=C(CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 57497429 HBJLNFURFVAXTF-UHFFFAOYSA-N 248.282 2.263 5 50 BEBA CCNc1c(Br)cncc1[N+](=O)[O-] 82046896 DCRXFLDXMBGJNE-UHFFFAOYSA-N 246.064 2.184 5 50 BEBA C[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O1 140077842 XDNXNKYDMUJERW-XVKPBYJWSA-N 209.201 2.029 5 50 BEBA CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCC1 4622727 GMZZEDGQXDPDGH-UHFFFAOYSA-N 249.270 2.153 5 50 BEBA CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)O 6048932 MWKMORRXGBNTIF-VIFPVBQESA-N 239.227 2.145 5 50 BEBA Cc1cc(Br)c(O)cc1[N+](=O)[O-] 34175002 UNDCYNWWVCTFES-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA in-vitro O=C(NCc1ccco1)c1ccccc1[N+](=O)[O-] 59119 UACAWKQFCADZEV-UHFFFAOYSA-N 246.222 2.118 5 50 BEBA Cc1ccnc(Br)c1[N+](=O)[O-] 8698087 LRYKMSPHPLXBHF-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro O=[N+]([O-])c1cnc(Br)c(Cl)c1 14982223 VDVNBTTZUJOHJZ-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(C(F)(F)F)cc1O 91682326 FVKYLHATVWKUMW-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro COc1ccc([N+](=O)[O-])cc1-n1cccc1 454967 NVMWNTGQCMINIU-UHFFFAOYSA-N 218.212 2.394 5 50 BEBA aggregator,in-vitro Nc1ccccc1Nc1ccncc1[N+](=O)[O-] 4190850 WXUYFMQIXXKENB-UHFFFAOYSA-N 230.227 2.316 5 50 BEBA CCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4794214 IDJZFSUYBCKOCP-UHFFFAOYSA-N 208.217 2.252 5 50 BEBA O=[N+]([O-])c1cncc(Cl)c1Br 35270284 BFEIQRUZMAVRGH-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro O=[N+]([O-])c1cc(O)c(Br)c(F)c1 75629632 FMNRJMOKCKSPRL-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 244033 DRCKREXMVGWWIE-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3860184 ATXBGHLILIABGX-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro Cc1ncc(Br)cc1[N+](=O)[O-] 21303269 FZZLWWNOYMHSIS-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA O=Cc1cc(Br)ccc1[N+](=O)[O-] 1699626 UFRVBZVJVRHSNR-UHFFFAOYSA-N 230.017 2.170 5 50 BEBA CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4300400 OAFVRHMRZVHVDQ-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(OC)cc1Cl 117112824 CTRKTHJHCFTDHI-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA CCOc1cc([N+](=O)[O-])cc(F)c1F 263624692 SRJQTXJGGQJRNZ-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA Cc1cnc(Br)c([N+](=O)[O-])c1 16123673 AESPBTFGZRRYRJ-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 2541444 SOMZLSPJSSDTAP-UHFFFAOYSA-N 234.211 2.253 5 50 BEBA in-vitro O=c1ccn(C/C(Cl)=C/Cl)cc1[N+](=O)[O-] 130781670 UBEKVWOHGFEHBX-UTCJRWHESA-N 249.053 2.076 5 50 BEBA Cc1ccc([N+](=O)[O-])c(OCCCN(C)C)c1 4842145 JVCZCPYBQMFYRP-UHFFFAOYSA-N 238.287 2.234 5 50 BEBA COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 163347 JGBJHRKCUKTQOE-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA CC(C)(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 348245 XNLZARSNKDQBKL-LLVKDONJSA-N 238.287 2.016 5 50 BEBA COC(=O)CCCc1ccc([N+](=O)[O-])cc1 5996994 IIDUVWAKHMUVPN-UHFFFAOYSA-N 223.228 2.091 5 50 BEBA Cc1ncc([N+](=O)[O-])cc1Br 71254789 QWAOQTGMEGSRLN-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro O=[N+]([O-])c1ccnc(N2CCCCC2)c1F 261493462 BPMFALAJMPQMEM-UHFFFAOYSA-N 225.223 2.119 5 50 BEBA O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1 172024 SXVKIMCWFQAXPM-UHFFFAOYSA-N 249.251 2.304 5 50 BEBA O=C(O)c1cccc(Br)c1[N+](=O)[O-] 1700833 JAURIZJCCFDGDI-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro Cc1cc(C(F)(F)F)ncc1[N+](=O)[O-] 71624912 YAVOZQHDJFJNPM-UHFFFAOYSA-N 206.123 2.317 5 50 BEBA CCOC(=O)c1cc(N)c(Cl)cc1[N+](=O)[O-] 953126690 LOGMMOFJILZPPL-UHFFFAOYSA-N 244.634 2.007 5 50 BEBA COc1cc(F)c(F)c(F)c1[N+](=O)[O-] 15442567 ZSOYSDLZDZGEFC-UHFFFAOYSA-N 207.107 2.021 5 50 BEBA CCOC(=O)CCc1ccc([N+](=O)[O-])cc1 35333620 QGKUTNMKCRVGRE-UHFFFAOYSA-N 223.228 2.091 5 50 BEBA in-vitro O=[N+]([O-])c1cnn(C[C@@H]2C[C@H]3CC[C@H]2C3)c1 408175451 ZNUDERNCVHHAHD-GUBZILKMSA-N 221.260 2.228 5 50 BEBA CCCCC(=O)Nc1ncc([N+](=O)[O-])s1 3819043 HAQCGFVINUGJBS-UHFFFAOYSA-N 229.261 2.180 5 50 BEBA O=[N+]([O-])c1ccc(O)c(OC(F)(F)F)c1 85476722 KNEILGXGOBNKRE-UHFFFAOYSA-N 223.106 2.199 5 50 BEBA in-vitro CCCc1cc(O)n(-c2ccc([N+](=O)[O-])cc2)n1 100423965 UKFPACCFXXOSBP-UHFFFAOYSA-N 247.254 2.439 5 50 BEBA CCN(CC)CCOc1ccc([N+](=O)[O-])cc1 4989561 ZLZZAXUKBHFTHA-UHFFFAOYSA-N 238.287 2.315 5 50 BEBA in-vitro CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 68082 OAXJZQMFWBIRKF-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA in-vitro Cc1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 40545344 KHURAQOGOUTZAW-UHFFFAOYSA-N 220.228 2.030 5 50 BEBA Cc1ccc2c([N+](=O)[O-])cc3nc(N)oc3c2n1 228903081 GEWMFKDPESRSFY-UHFFFAOYSA-N 244.210 2.175 5 50 BEBA Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 4289464 FSGTULQLEVAYRS-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1F 35333507 RQAOESHTSVXKSI-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA in-vitro O=C(c1ccncc1)c1ccc([N+](=O)[O-])cc1 31327 UKJABSZYPOTETA-UHFFFAOYSA-N 228.207 2.221 5 50 BEBA CCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 39042708 UXKDKOBQYMDAIP-UHFFFAOYSA-N 245.181 2.250 5 50 BEBA O=[N+]([O-])c1cn(Cc2ccc3c(c2)CCC3)cn1 172129337 DABYNFHGWOVCSL-UHFFFAOYSA-N 243.266 2.328 5 50 BEBA O=[N+]([O-])c1cnc(N[C@@H]2CC23CCCC3)nc1 387034997 QRPCAAYIOPKEHA-SECBINFHSA-N 234.259 2.129 5 50 BEBA ON=c1ccc2nc3ccccc3nc2cc1 459078 XFPNSBAVJOQYPN-UHFFFAOYSA-N 223.235 2.073 5 50 BEBA Cc1ccc(NC(=O)NC(C)C)cc1[N+](=O)[O-] 2172205 FCDXRNRHWSKZDH-UHFFFAOYSA-N 237.259 2.433 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1F 2527710 KAONECPATVTFST-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA in-vitro COc1cc(Br)ccc1[N+](=O)[O-] 20357511 DJKPQYBFSAJUBS-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro Nc1ccc([N+](=O)[O-])cc1OC(F)(F)F 82046506 FFDBXRVBNGKCDQ-UHFFFAOYSA-N 222.122 2.076 5 50 BEBA in-vitro COc1ncc([N+](=O)[O-])cc1C(F)(F)F 224680662 RZLORGROQJAXPC-UHFFFAOYSA-N 222.122 2.017 5 50 BEBA O=[N+]([O-])c1cc(CN2CCCCC2)ccc1O 4986344 JRKBMNFGGHIIOJ-UHFFFAOYSA-N 236.271 2.286 5 50 BEBA CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])c(F)c1 39328861 BMOAQMNPJSPXIU-SSDOTTSWSA-N 241.218 2.401 5 50 BEBA CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F 35333443 NOIKETTVAGMFKJ-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA O=[N+]([O-])c1cccc(-c2ccnc3ccnn23)c1 2552539 OBBNCPWRLTWSHC-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA CCOc1ccc(/C=C/[N+](=O)[O-])cc1OC 2555882 OHUVDXRCVIKNNH-VOTSOKGWSA-N 223.228 2.341 5 50 BEBA CCOC(=O)c1cc([N+](=O)[O-])cnc1C1CC1 584883673 ZJEYKYUHIPTNQL-UHFFFAOYSA-N 236.227 2.044 5 50 BEBA O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1 369319 HDJQCPXCTJSUPW-UHFFFAOYSA-N 238.243 2.250 5 50 BEBA CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2172198 IKVRTKOYUAXVJG-UHFFFAOYSA-N 237.259 2.435 5 50 BEBA C[N+]1(C)CC[C@@H](CCC[C@@H]2CC[N+](C)(C)C2)C1 1857799078 MYMJVCKRHHHMSH-HUUCEWRRSA-N 240.435 2.349 5 50 BEBA Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] 39019068 XBWMSLRYGXSAKH-UHFFFAOYSA-N 215.212 2.239 5 50 BEBA in-vitro CCNc1c([N+](=O)[O-])ccc(F)c1F 53162699 OQZJPLHCMMMQOV-UHFFFAOYSA-N 202.160 2.305 5 50 BEBA in-vitro C[N@@+]12CCCC[C@H]1[C@@H](CCCO)CCC2 245296609 MBZRGAYZZWRWKM-RDBSUJKOSA-N 212.357 2.168 5 50 BEBA biogenic Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C=O 294371 MMDHZVMGQHEMHU-UHFFFAOYSA-N 204.185 2.197 5 50 BEBA Cc1cc2c(ncn2C)c([N+](=O)[O-])c1C 4051899 OEKOACIXYOKHNS-UHFFFAOYSA-N 205.217 2.098 5 50 BEBA CCN(CC)CCOc1ccccc1[N+](=O)[O-] 4989889 KTMCIALHYQWWBC-UHFFFAOYSA-N 238.287 2.315 5 50 BEBA CCNc1ccc([N+](=O)[O-])cc1C(C)=O 285526093 GZWQHWDFFYRBSM-UHFFFAOYSA-N 208.217 2.229 5 50 BEBA O=Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 39219118 CREGKXZIHOMXBJ-UHFFFAOYSA-N 219.118 2.426 5 50 BEBA in-vitro Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1 38679 ULPBJGVRVXWECP-UHFFFAOYSA-N 217.228 2.397 5 50 BEBA biogenic Cc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-] 95898 YCFQKHLDFAJDDT-UHFFFAOYSA-N 248.160 2.404 5 50 BEBA C[C@H](C(=O)O)n1ccc2ccc([N+](=O)[O-])cc21 94507767 QBUUYKALYPZAFL-SSDOTTSWSA-N 234.211 2.195 5 50 BEBA COc1ccc(-c2ccc(CO)o2)cc1[N+](=O)[O-] 523994 YEJIHWDJMJROGQ-UHFFFAOYSA-N 249.222 2.356 5 50 BEBA O=C(O)Cc1ccc([N+](=O)[O-])cc1C(F)(F)F 95495544 WWYLSNCPPXAEER-UHFFFAOYSA-N 249.144 2.241 5 50 BEBA CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83794926 BFNHNSCIJNDQSX-UHFFFAOYSA-N 242.662 2.388 5 50 BEBA O=[N+]([O-])c1ccc2nn(-c3ccccc3)nc2c1 274156 GYXCDZYHDIYSSY-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA C[C@@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])n2)C1 252480876 CFRLVHVKGMZKSC-NXEZZACHSA-N 238.291 2.403 5 50 BEBA C=CC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 252441349 RTARZTYRNVRFPP-GZBFAFLISA-N 238.351 2.125 5 50 BEBA biogenic Cc1nn([C@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] 952880586 WGNOLAHYDUFEFS-SECBINFHSA-N 246.270 2.412 5 50 BEBA C/C(=C\c1ccc2c(c1)OCO2)[N+](=O)[O-] 4692945 CCEVJKZHAJJQJR-QPJJXVBHSA-N 207.185 2.053 5 50 BEBA in-vitro COC(=O)c1ccc([N+](=O)[O-])cc1Cl 161532 PICNSXCJRMYANX-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1 1600767 DQXJXWHNSVKMAT-UHFFFAOYSA-N 237.255 2.479 5 50 BEBA CCNCCNc1ccc(Cl)cc1[N+](=O)[O-] 4952485 SHNBUSUDWYIGDK-UHFFFAOYSA-N 243.694 2.270 5 50 BEBA CNc1ccc(C2OCCCO2)cc1[N+](=O)[O-] 4543839 LNPAOEXEJKMGBA-UHFFFAOYSA-N 238.243 2.072 5 50 BEBA O=[N+]([O-])c1ccnc(Cl)c1Br 95911129 DVOYAFSLONCZPD-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA O=C(O)c1cc(F)cc([N+](=O)[O-])c1Cl 307425082 FBSJHLNNZUVISQ-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA CC[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] 103214 BTZIFNGDQSZILQ-QMMMGPOBSA-N 222.244 2.123 5 50 BEBA O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1F 35333702 FFLWLOLRLIMBGA-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA O=C(Oc1ccccc1[N+](=O)[O-])c1ccco1 70834 VPURSXJZQOVIPV-UHFFFAOYSA-N 233.179 2.407 5 50 BEBA CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O 1846541 OPTZOXDYEFIPJZ-UHFFFAOYSA-N 238.243 2.342 5 50 BEBA endogenous,in-man O=[N+]([O-])c1c(O)cc(Br)cc1F 169800508 CLCBYQYRMKRPAK-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA COc1ccc(-n2cccc2)c([N+](=O)[O-])c1 138116 KMZGPJSPPSTZKT-UHFFFAOYSA-N 218.212 2.394 5 50 BEBA in-vitro COc1cc([N+](=O)[O-])c2nc(C)ccc2c1 1701723 XATLPIDKCYRSNH-UHFFFAOYSA-N 218.212 2.460 5 50 BEBA Cc1cc([N+](=O)[O-])cnc1Br 2383994 FZIQHPKXSLHGBZ-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro Cc1ccc(OC(C)(C)C(=O)O)c([N+](=O)[O-])c1 2557828 IUXQTPWVNRHRKE-UHFFFAOYSA-N 239.227 2.145 5 50 BEBA CCSc1ccc(C(=O)O)cc1[N+](=O)[O-] 16192596 MNYVMGOODLTJRY-UHFFFAOYSA-N 227.241 2.405 5 50 BEBA O=C(O)CCSc1ccc([N+](=O)[O-])cc1 275159 RUFCXXWAWDPCQV-UHFFFAOYSA-N 227.241 2.162 5 50 BEBA O=[N+]([O-])c1ccc2c(c1)nnn2-c1ccccc1 369524 FCKVYRYQUBHSSE-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA O=C1CCCCc2sc([N+](=O)[O-])cc2N1 4956330 SNLYGKRESJGRCM-UHFFFAOYSA-N 226.257 2.321 5 50 BEBA Cn1cc(Oc2ccc([N+](=O)[O-])cc2F)cn1 170598754 NBLGNECOKJLJCY-UHFFFAOYSA-N 237.190 2.260 5 50 BEBA CC(C)(C)OC(=O)n1cccc1[N+](=O)[O-] 261494046 ONHFHSJHMVICEJ-UHFFFAOYSA-N 212.205 2.180 5 50 BEBA CN(C)CCCCOc1ccc([N+](=O)[O-])cc1 2822989 LKRLVNNBSYWFJG-UHFFFAOYSA-N 238.287 2.315 5 50 BEBA COC(=O)CCC[N+](C)(C)Cc1ccccc1 5535238 KIOHYLICZDULIR-UHFFFAOYSA-N 236.335 2.216 5 50 BEBA C[N+]1([C@H]2CC[C@H]3CCC[C@H]2C3=O)CCCC1 217427998 BTKLEOOUQVGGOK-UPJWGTAASA-N 222.352 2.375 5 50 BEBA biogenic CC[N+](CC)(CC)CC[N+]1(CC)CCCC1 1775971535 SXQHTLRYVRXKFO-UHFFFAOYSA-N 228.424 2.493 5 50 BEBA CCCCOc1cc([N+](=O)[O-])ccc1CO 1649068 HKQVWBYEORFKRF-UHFFFAOYSA-N 225.244 2.266 5 50 BEBA C[C@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1 4837807 QMOOMHGHQYTCLO-GJIOHYHPSA-N 205.213 2.257 5 50 BEBA c1ccn2c(c1)nc1c2nc2ccccn21 305580 ANMGHQUYEIIMOP-UHFFFAOYSA-N 208.224 2.135 5 50 BEBA aggregator Cc1cnc(N)c2c(=O)oc3ccccc3c12 19015026 VZLKYPOYSSGXNH-UHFFFAOYSA-N 226.235 2.232 5 50 BEBA in-vitro C[C@@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O1 140077710 XDNXNKYDMUJERW-XCBNKYQSSA-N 209.201 2.029 5 50 BEBA COc1cc(C2CC2)c([N+](=O)[O-])cc1OC 1076456 KWIZWUXKDKTSJW-UHFFFAOYSA-N 223.228 2.489 5 50 BEBA CC(=O)c1cc(N2CCCC2)ccc1[N+](=O)[O-] 8763313 QYRIEOSOMTUZBK-UHFFFAOYSA-N 234.255 2.398 5 50 BEBA C[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)O1 2913585 POWZYXIYDYGNMD-GZMMTYOYSA-N 223.228 2.419 5 50 BEBA C[Si](C)(C)CCOCn1ccc([N+](=O)[O-])n1 201340009 WTWKGNPLTIGCIV-UHFFFAOYSA-N 243.339 2.104 5 50 BEBA in-vitro C[N+]1([C@@H]2CC[C@H]3CC[C@H]2C3=O)CCCCC1 247644296 JDBUIALORGDZRH-JHJVBQTASA-N 222.352 2.375 5 50 BEBA biogenic Nc1cc2nc3ccccc3sc-2cc1=O 3995788 KGVTYHSCRSDENW-UHFFFAOYSA-N 228.276 2.344 5 50 BEBA O=[N+]([O-])c1ccc(CSc2ncccn2)o1 44123730 CVLZFGFZBWLRKQ-UHFFFAOYSA-N 237.240 2.270 5 50 BEBA O=C(Nc1nccs1)c1cccc([N+](=O)[O-])c1 172027 MEDSKVRQASSYGD-UHFFFAOYSA-N 249.251 2.304 5 50 BEBA CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 1712897 UNIUJJXVDIYVQM-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA in-vitro COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC 35333369 LWCRENCMPYSMPP-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1C 62665894 XXIIRYGATOUXBZ-UHFFFAOYSA-N 227.191 2.219 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])cc(F)c1Cl 165052733 DJPLMIZXZBMLBL-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA Cc1ccc([N+](=O)[O-])c2[nH]cc(C=O)c12 69476320 ILKYFKTXIFABKK-UHFFFAOYSA-N 204.185 2.197 5 50 BEBA CC1(C)C[C@@H](O)c2c([N+](=O)[O-])ccc(F)c21 261508250 QVVSLVRKYDDYHU-MRVPVSSYSA-N 225.219 2.449 5 50 BEBA Cc1cc([N+](=O)[O-])cnc1Sc1ncco1 408514858 PMOXJDBELSNCAX-UHFFFAOYSA-N 237.240 2.437 5 50 BEBA O=[N+]([O-])c1ccsc1Br 967466 BWMCPPKGEXBKSY-UHFFFAOYSA-N 208.036 2.419 5 50 BEBA in-vitro O=[N+]([O-])c1cc(Br)c2cn[nH]c2c1 14983023 MFKKWYOQLIACFO-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro CCOC(=O)CSc1ccccc1[N+](=O)[O-] 303760 IRJBUPPYBALQKJ-UHFFFAOYSA-N 241.268 2.250 5 50 BEBA CC(C)(C)OC(=O)c1ccc(O)c([N+](=O)[O-])c1 115438882 BKEGVLBNSWGBDR-UHFFFAOYSA-N 239.227 2.256 5 50 BEBA CCOC(=O)c1cc([N+](=O)[O-])c(Cl)s1 71787955 VJKXMTCBMRGJIE-UHFFFAOYSA-N 235.648 2.486 5 50 BEBA C[N+]1([C@H]2CC[C@H]3CCC[C@H]2[C@H]3O)CCCC1 217546184 XPLDIPBUNDHFNG-MQYQWHSLSA-N 224.368 2.166 5 50 BEBA Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])no1 4749888 MSQMMJWWNYIQNY-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA Cc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 390824103 IWXOKGBLUVSBSO-UHFFFAOYSA-N 232.579 2.170 5 50 BEBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 12418077 XCCYGUOUNHECSY-AOOOYVTPSA-N 236.271 2.208 5 50 BEBA CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 4529335 BSVMKZQSUKHMQP-LURJTMIESA-N 213.189 2.143 5 50 BEBA O=C(O)C1(c2cccc([N+](=O)[O-])c2)CCC1 59673279 QBUXPHKPYHXRST-UHFFFAOYSA-N 221.212 2.101 5 50 BEBA Nc1cc(F)c(OC(F)(F)F)cc1[N+](=O)[O-] 1772820798 WJWOWTCHXJDULH-UHFFFAOYSA-N 240.112 2.215 5 50 BEBA O=C(O)CCCc1ccc([N+](=O)[O-])cc1 4257835 WQMLUHZFRFCQDB-UHFFFAOYSA-N 209.201 2.002 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)nc1 117705168 PAQPCEZFWFOVPC-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA OC[C@@H]1C[C@H]2CCCC[N@@+]2(Cc2ccccc2)O1 252428166 RTNPHJYOQAZHEN-PMPSAXMXSA-N 248.346 2.252 5 50 BEBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)no1 175546 JYCYWWSDZJILCW-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 2563272 ZDZNJYXHGWSWTN-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro C[C@@H](C(=O)O)n1ccc2ccc([N+](=O)[O-])cc21 94507766 QBUUYKALYPZAFL-ZETCQYMHSA-N 234.211 2.195 5 50 BEBA NC(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 204071396 WQYZWCIXLRNABR-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3O 188381 UAYFNQHKNNPZPP-LLVKDONJSA-N 232.239 2.446 5 50 BEBA O=[N+]([O-])c1cc(O)ccc1Br 21303819 MTNZLOXGKDQNKA-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)O 1772491512 ZEBIUSSMBCRZHJ-UHFFFAOYSA-N 245.618 2.020 5 50 BEBA CC(C)OC(=O)c1ccccc1[N+](=O)[O-] 620771 AAOFULNKZPHNQJ-UHFFFAOYSA-N 209.201 2.160 5 50 BEBA CN(C)c1cc([N+](=O)[O-])ccc1Cl 7023219 NEDWDFYUMIRLQF-UHFFFAOYSA-N 200.625 2.314 5 50 BEBA NC(=O)c1c(Cl)ccc(Cl)c1[N+](=O)[O-] 247714429 MKWYPZYNKQDIOQ-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA CCCCNC(=O)c1cccc([N+](=O)[O-])c1 1599296 PLKPLRMLCSBJKV-UHFFFAOYSA-N 222.244 2.125 5 50 BEBA in-vitro Cc1cc(C)n(Cc2ccc([N+](=O)[O-])cc2)n1 614330 IVWIDZGHZOZJCE-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA Cc1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1 1426317 HMBUELLHRLFJOP-UHFFFAOYSA-N 235.218 2.287 5 50 BEBA O=Cc1cccc(-c2cccc([N+](=O)[O-])c2)n1 25757598 MEBRRQOWKWXTRB-UHFFFAOYSA-N 228.207 2.469 5 50 BEBA Cc1cc(-n2ccnc2)ccc1[N+](=O)[O-] 34300629 HYTUDPOPONCSCM-UHFFFAOYSA-N 203.201 2.089 5 50 BEBA CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C 4829539 CZLTXJVPEMCPLP-UHFFFAOYSA-N 208.217 2.170 5 50 BEBA CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 5430926 MMLVIEFQUVREDB-UHFFFAOYSA-N 242.662 2.388 5 50 BEBA O=[N+]([O-])c1cc(F)cc(Br)c1 21981692 SWXVEPMSQBEVRH-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro CC(=O)Nc1c(C)ccc(F)c1[N+](=O)[O-] 85476917 RAHCIRIELWAZJX-UHFFFAOYSA-N 212.180 2.001 5 50 BEBA in-vitro CCCCC(CC)(C[N+](=O)[O-])C[N+](=O)[O-] 1751887 YCIGETIALZRRDG-UHFFFAOYSA-N 218.253 2.126 5 50 BEBA Cc1ccc2c(ccc(C)[n+]2C)c1[N+](=O)[O-] 270656 TZQRLPCVEIAKHX-UHFFFAOYSA-N 217.248 2.189 5 50 BEBA CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2493991 AAVWYCNZVDPHJK-UHFFFAOYSA-N 222.244 2.043 5 50 BEBA CCOC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2169644 ZSEVLTABICCPPU-UHFFFAOYSA-N 224.216 2.472 5 50 BEBA in-vitro CNc1ccc(Br)cc1[N+](=O)[O-] 4823073 IFTUKVAJYOQKRS-UHFFFAOYSA-N 231.049 2.399 5 50 BEBA in-vitro Nc1ncc([N+](=O)[O-])cc1-c1ccccc1 22358275 STLZWMIBCWUFNW-UHFFFAOYSA-N 215.212 2.239 5 50 BEBA COc1ccc(Br)cc1[N+](=O)[O-] 2516087 ORBHQHXVVMZIDP-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1 103326 CKXQMTJOJKBZGD-UHFFFAOYSA-N 222.244 2.077 5 50 BEBA in-vitro COc1cccc([N+](=O)[O-])c1Br 6130138 KCFDURKFXBLIAY-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro Cc1nc2cc3ccccc3cc2c(=O)n1C 71773867 LGOCQQTXUSXSLL-UHFFFAOYSA-N 224.263 2.395 5 50 BEBA O=[N+]([O-])c1cccn2c(Br)cnc12 72319834 IXGSGWPFHHPIQZ-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA COc1ccc([N+](=O)[O-])c(NC2CC2)c1 85481047 DLLXIKJLPCYMOP-UHFFFAOYSA-N 208.217 2.178 5 50 BEBA CC(C)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 216107721 XABPPSCTALOECK-UHFFFAOYSA-N 243.284 2.025 5 50 BEBA O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)cc1 121988 VKVUEAYHLDCFSV-UHFFFAOYSA-N 247.279 2.312 5 50 BEBA O=[N+]([O-])c1cccc2ccc(-n3ccnc3)nc12 456645 NDMJXXGOLLYBNC-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA CCOC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 3132356 NFTIGSHTDJWTAT-UHFFFAOYSA-N 243.646 2.354 5 50 BEBA in-vitro C[C@@H](N)CNc1ccc([N+](=O)[O-])cc1Cl 4155758 DZOFIAHFEDPVKP-ZCFIWIBFSA-N 229.667 2.007 5 50 BEBA C[N@+]12CCCC[C@H]1[C@@H](CCCO)CCC2 245231896 MBZRGAYZZWRWKM-HZSPNIEDSA-N 212.357 2.168 5 50 BEBA biogenic C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O 4789765 DMXDUJPYGUWROU-FNORWQNLSA-N 207.185 2.083 5 50 BEBA O=C(O)CSc1ccc([N+](=O)[O-])cc1Cl 3884067 RGWSUIQZUKJGEQ-UHFFFAOYSA-N 247.659 2.425 5 50 BEBA in-vitro Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 95093475 AFPQEILWSILMKP-UHFFFAOYSA-N 206.123 2.317 5 50 BEBA in-vitro CCCCOc1ncc([N+](=O)[O-])cc1C 261494166 RIPLQKXXEIGKKW-UHFFFAOYSA-N 210.233 2.477 5 50 BEBA CC(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 441392 YHNXLJDTEYXRIF-UHFFFAOYSA-N 236.271 2.371 5 50 BEBA CCOCOc1ccc([N+](=O)[O-])cc1C 170594955 ACIWJKBBNOPKID-UHFFFAOYSA-N 211.217 2.276 5 50 BEBA COCCOc1c(Cl)ccc([N+](=O)[O-])c1F 261494187 RPPDXHNGBRZKNZ-UHFFFAOYSA-N 249.625 2.413 5 50 BEBA C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 209407 LFEHWENPAZXMSC-QMMMGPOBSA-N 238.243 2.202 5 50 BEBA CC[C@H](C)Nc1c([N+](=O)[O-])ccc2nonc12 4093888 PZOUICPNMGBSLI-LURJTMIESA-N 236.231 2.341 5 50 BEBA CC[C@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 14007388 RJRSBLADCYAQKP-JTQLQIEISA-N 223.228 2.261 5 50 BEBA in-vitro O=C(NC1CCCC1)c1ccccc1[N+](=O)[O-] 101884 ZXDSCJWKPHJDKF-UHFFFAOYSA-N 234.255 2.267 5 50 BEBA CC(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 379963 SLIFMMDBQDQWRS-VMPITWQZSA-N 248.282 2.380 5 50 BEBA O=[N+]([O-])c1ccc(Cl)cc1NCCCO 4412553 DODGYZMOMURJMU-UHFFFAOYSA-N 230.651 2.043 5 50 BEBA Cc1cc(C(=O)Nc2ccon2)ccc1[N+](=O)[O-] 372962 BOVLDSZDUBBTCT-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] 4366124 ZLWSMUKHEYFHAB-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccco1 34697137 FVDCQXLTAFFROR-UHFFFAOYSA-N 248.194 2.146 5 50 BEBA O=[N+]([O-])c1ccc(CN2CCSCC2)cc1 55542951 NZEPOTOSLXJCLQ-UHFFFAOYSA-N 238.312 2.144 5 50 BEBA COc1nc2ccccc2cc1[N+](=O)[O-] 118370933 VXKHEYYXMJHZER-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])ccc1SC 4277473 BULMXSINASASPJ-UHFFFAOYSA-N 227.241 2.103 5 50 BEBA in-vitro C[N+]1(C)CCC(C[N+]2(C)CCCCC2)CC1 1775971340 ZAUCDKBKYZBYGO-UHFFFAOYSA-N 226.408 2.103 5 50 BEBA CN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 2566595 SVNVKGIWGOHXPW-UHFFFAOYSA-N 219.244 2.138 5 50 BEBA in-vitro Cc1ccccc1Cn1ccc([N+](=O)[O-])n1 2505992 XHWQUSGCOLRREK-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA Nc1c(Cl)ccc(Cl)c1[N+](=O)[O-] 5426614 NBROUKOXRAMATE-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA CCCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] 95495542 ZBHQTHIGEDJEFH-UHFFFAOYSA-N 238.243 2.203 5 50 BEBA CCOc1cc(F)c([N+](=O)[O-])c(F)c1 263623449 HOVOJDJEDDQVNN-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1F 341177 FJJBECZXCHAOKU-UHFFFAOYSA-N 235.218 2.287 5 50 BEBA Cc1cc(Br)c(N)c([N+](=O)[O-])c1 4272187 VFPKZASVVCBVMG-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccc2[nH]nc(Br)c2c1 8729914 SYTGRKBQTUKOAI-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(Cc2ncccc2O)cc1 15686582 ZHMHDAMNINCNBW-UHFFFAOYSA-N 230.223 2.286 5 50 BEBA O=[N+]([O-])c1ccc(Cl)nc1Br 22007434 WISCKHBEOBONJA-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(Cl)c2nsnc12 64871453 OMRZOXCMZJOMCK-UHFFFAOYSA-N 215.621 2.253 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(NCCN2CCCC2)cc1 48322164 DUGUFBRTAQGQJO-UHFFFAOYSA-N 235.287 2.103 5 50 BEBA O=[N+]([O-])c1c(O)cccc1Br 16125291 AUORDBJGOHYGKR-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(Cl)c(C2[N@@]3CCC[N@]23)c1 1857524968 CYGARIZDSGCDTF-CHWSQXEVSA-N 239.662 2.183 5 50 BEBA CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 38536953 RLXJOMUXHZMTCH-UHFFFAOYSA-N 219.200 2.207 5 50 BEBA in-vitro COc1cc([N+](=O)[O-])cc(Cl)c1OC 39276709 MXBYAURLPFCFCS-UHFFFAOYSA-N 217.608 2.265 5 50 BEBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1CO 2384181 FQPWWEYTNHARPU-UHFFFAOYSA-N 221.134 2.106 5 50 BEBA CNc1ccc([N+](=O)[O-])c2cccnc12 3880714 DPGGPHUMELSDSV-UHFFFAOYSA-N 203.201 2.185 5 50 BEBA in-vitro COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 20281133 HQVWYUZVGLAMBS-HWKANZROSA-N 241.630 2.434 5 50 BEBA in-vitro O=[N+]([O-])c1ccn2c(Br)cnc2c1 89202076 VCAJFNRBOCVBIX-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA in-vitro Cc1cc([N+](=O)[O-])c(N)cc1Br 4774447 CEVXSOYABRHNEK-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1Cl 74937728 SSFPPEHPQLGLCK-UHFFFAOYSA-N 232.579 2.170 5 50 BEBA in-vitro O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1 101935 VXQCTWJVIDLLNJ-UHFFFAOYSA-N 234.255 2.267 5 50 BEBA Cc1ccc([N+](=O)[O-])cc1N/C=C/[N+](=O)[O-] 6432631 JESKZHHAEVFJKM-SNAWJCMRSA-N 223.188 2.063 5 50 BEBA Nc1c(Cl)ccc([N+](=O)[O-])c1Cl 59470396 FYMVQJCDXFAPGG-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 1462674 ODXWGMFPJCIUCW-UHFFFAOYSA-N 234.133 2.096 5 50 BEBA biogenic O=C(O)c1c(Br)cccc1[N+](=O)[O-] 34080222 KWNBOCMNFKJJCK-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA COC(=O)c1coc(-c2ccc([N+](=O)[O-])cc2)n1 142881929 CGDWVWURAWVTMM-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA in-vitro C[C@@H](CCC(=O)c1ccccc1)[N+](=O)[O-] 2173696 IEEUIPIRQIGXIT-VIFPVBQESA-N 207.229 2.315 5 50 BEBA CCOC(=O)Nc1cc([N+](=O)[O-])ccc1OC 1751389 LZLIDEXOJBQIJO-UHFFFAOYSA-N 240.215 2.172 5 50 BEBA C[C@@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O1 140077943 XDNXNKYDMUJERW-GMSGAONNSA-N 209.201 2.029 5 50 BEBA CC1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 49934306 HRGLDICANUYMDA-UHFFFAOYSA-N 235.287 2.413 5 50 BEBA COc1cccc(Nc2n[nH]c(C)c2[N+](=O)[O-])c1 4718368 AWRJLECYVNHZPW-UHFFFAOYSA-N 248.242 2.379 5 50 BEBA CCOC(=O)c1cc2c([N+](=O)[O-])cccc2cn1 220002644 JZWBVUYNXZRAIM-UHFFFAOYSA-N 246.222 2.320 5 50 BEBA O=C(O)c1cccc(-c2ccc([N+](=O)[O-])nc2)c1 725271025 YKAOJAMFLAKCFX-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 47202454 NPNQVXRWDIMHDX-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA in-vitro O=[N+]([O-])c1sccc1Br 967480 UYIHKIRPUMUUJX-UHFFFAOYSA-N 208.036 2.419 5 50 BEBA in-vitro C[C@H]1Cc2cc(/C=C/[N+](=O)[O-])ccc2O1 4838447 QIJPIFGDBFLVHA-ZJELKQJVSA-N 205.213 2.257 5 50 BEBA Cc1ccccc1Cn1c([N+](=O)[O-])cnc1C 170620 UJKNTFSBMLXZKZ-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC1 465312 SOLNJTJBMYNOHD-BQYQJAHWSA-N 246.266 2.230 5 50 BEBA COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)C 5093498 RTEFVLNZMKRVJJ-UHFFFAOYSA-N 238.243 2.198 5 50 BEBA O=[N+]([O-])c1ccc(OCCC(F)(F)F)nc1 114496694 PQWPDSOCLPMSPA-UHFFFAOYSA-N 236.149 2.321 5 50 BEBA O=[N+]([O-])c1ccc(OC2CCOCC2)cc1 498045244 FOPOHTFLSBVORA-UHFFFAOYSA-N 223.228 2.153 5 50 BEBA in-vitro Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 4131011 PMFNKUVWSSGKPX-UHFFFAOYSA-N 247.210 2.144 5 50 BEBA O=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)CCCC2 6659267 BOULSGQSNUDFEB-UHFFFAOYSA-N 244.250 2.315 5 50 BEBA O=[N+]([O-])c1cc(Br)cc2[nH]ncc12 14983000 AHEMYGJJCOXPSP-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA COC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 14989360 DKARPFALPFVMPB-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA C[C@H](N)CNc1ccc([N+](=O)[O-])cc1Cl 4155756 DZOFIAHFEDPVKP-LURJTMIESA-N 229.667 2.007 5 50 BEBA Cc1noc(/C=C/c2ccccn2)c1[N+](=O)[O-] 4385327 KLRVKNBMJQMFMS-AATRIKPKSA-N 231.211 2.457 5 50 BEBA CN(C)CCNc1ccc([N+](=O)[O-])cc1Cl 4416961 MBNYDZYJRSBQBU-UHFFFAOYSA-N 243.694 2.222 5 50 BEBA Cc1ccccc1Cn1cc([N+](=O)[O-])cn1 4821326 SFSCAGXYDCYWTC-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA CCCC[C@@H](CC(=O)OCC)C[N+](=O)[O-] 144470380 CJCKANNWBYPUFI-VIFPVBQESA-N 217.265 2.023 5 50 BEBA CC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5186795 VWRRVRRXUGSDIR-UHFFFAOYSA-N 234.255 2.398 5 50 BEBA C[N+]1(C)CC[C@H](CCC[C@@H]2CC[N+](C)(C)C2)C1 1857799076 MYMJVCKRHHHMSH-GASCZTMLSA-N 240.435 2.349 5 50 BEBA C[Si](C)(C)CCOCn1cc([N+](=O)[O-])cn1 201337933 UEUZRTVOLSCNIX-UHFFFAOYSA-N 243.339 2.104 5 50 BEBA CC(C)n1ncc([N+](=O)[O-])c1Br 223253615 PEQPEYXSSUVPEN-UHFFFAOYSA-N 234.053 2.135 5 50 BEBA CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 56938 IUNBIQBAYUBIFD-UHFFFAOYSA-N 215.592 2.156 5 50 BEBA in-vitro O=C(Nc1ccccc1[N+](=O)[O-])c1ccco1 4016751 KNAMKCYHABYXCA-UHFFFAOYSA-N 232.195 2.440 5 50 BEBA CC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 258134489 NHVPEPDSYDNELH-UHFFFAOYSA-N 201.128 2.076 5 50 BEBA COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 32220630 OOARJEHFHURUIO-UHFFFAOYSA-N 223.228 2.045 5 50 BEBA in-vitro CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC 2518965 IRCWXOXMYYBUJL-UHFFFAOYSA-N 238.243 2.342 5 50 BEBA O=[N+]([O-])c1ccc(OCCN2CCCC2)cc1 4989597 RZIYRKYHMDDHCK-UHFFFAOYSA-N 236.271 2.069 5 50 BEBA in-vitro Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 15440586 LTVWXWWSCLXXAT-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 35333396 ULVDREMXRMEWOP-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA in-vitro O=C(O)c1cncc(-c2cccc([N+](=O)[O-])c2)c1 35630006 SCCBPJUNKJQITD-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA COCCOc1ccc([N+](=O)[O-])c(Cl)c1 82238980 GXVIPPWYIXCSND-UHFFFAOYSA-N 231.635 2.273 5 50 BEBA CCc1cnc(CNc2ccccc2[N+](=O)[O-])[nH]1 719181074 ZLOOIIZDNZPJLH-UHFFFAOYSA-N 246.270 2.492 5 50 BEBA CC[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] 103211 BTZIFNGDQSZILQ-MRVPVSSYSA-N 222.244 2.123 5 50 BEBA CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 290724 GDMKBIXEIYPYBR-VMPITWQZSA-N 234.255 2.133 5 50 BEBA O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O 1693302 FFRBMBIXVSCUFS-UHFFFAOYSA-N 234.167 2.362 5 50 BEBA in-vitro O=[N+]([O-])c1cnc(S)c(Br)c1 14982277 JLXXADZVLHJOSA-UHFFFAOYSA-N 235.062 2.041 5 50 BEBA in-vitro COCCOc1cc(Cl)cc([N+](=O)[O-])c1 261493844 KMMCEXIQCXJSAO-UHFFFAOYSA-N 231.635 2.273 5 50 BEBA C[N+](C)(C)CCCCC1CC[N+](C)(C)CC1 1857801022 LKXIBQLHJHENNK-UHFFFAOYSA-N 228.424 2.349 5 50 BEBA COc1ccc(/C=C(\C)[N+](=O)[O-])c(OC)c1 5220655 PCSLZZWXNFQQHN-SOFGYWHQSA-N 223.228 2.341 5 50 BEBA Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 33605279 RDCOVUDTFKIURA-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA in-vitro CC(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 437450 BMFSBIUYDCXFGP-UHFFFAOYSA-N 226.207 2.328 5 50 BEBA COC(=O)c1cccc([N+](=O)[O-])c1Cl 34431484 JBCQPBVZKBEHNF-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro COCc1cc([N+](=O)[O-])ccc1Cl 36964917 DFVKPXXXKCFXAX-UHFFFAOYSA-N 201.609 2.395 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(CO)c(C(F)(F)F)c1 95642906 PHXSMIURLXWUMB-UHFFFAOYSA-N 221.134 2.106 5 50 BEBA in-vitro CCOC(=O)c1ccc(Cl)c(N)c1[N+](=O)[O-] 116233890 PGIBZFACGPUTEU-UHFFFAOYSA-N 244.634 2.007 5 50 BEBA Cc1cc([N+](=O)[O-])cnc1OCC(C)C 261494347 VMGTYXYGZNPCMW-UHFFFAOYSA-N 210.233 2.333 5 50 BEBA CNc1nc2ccc([N+](=O)[O-])cc2s1 32297494 JMSNXQWUGURTSO-UHFFFAOYSA-N 209.230 2.246 5 50 BEBA Cc1cnc(Br)cc1[N+](=O)[O-] 35569821 AHLJFEVQBNWRRI-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro COC(=O)c1ncoc1-c1ccc([N+](=O)[O-])cc1 97756934 DLDCGEOSJDASMN-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA O=C(NC1CC1)c1ccc(Cl)cc1[N+](=O)[O-] 376481 VURCMGNFKJWPER-UHFFFAOYSA-N 240.646 2.140 5 50 BEBA O=c1c2ccc(O)cc2oc2cc(O)ccc12 3894834 POARTHFLPKAZBQ-UHFFFAOYSA-N 228.203 2.357 5 50 BEBA biogenic,in-vitro Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O 4558771 XIEBABCZBKPITH-UHFFFAOYSA-N 240.218 2.388 5 50 BEBA Cc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-] 117114442 QVOBSRFDFRRCNC-UHFFFAOYSA-N 215.592 2.255 5 50 BEBA in-vitro Nc1cc([N+](=O)[O-])c(Br)cc1F 16158671 PDNZCDDWSKYNTE-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro Cc1cc2nsnc2c([N+](=O)[O-])c1C 273616 IHUUTTHUGLJFAF-UHFFFAOYSA-N 209.230 2.216 5 50 BEBA O=[N+]([O-])c1ncc(Cl)cc1Br 263624865 UUPDXJAPCHTALC-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA O=[N+]([O-])c1ccc2sc(S)nc2c1 157639 NFZDOFMXGCPMCX-UHFFFAOYSA-N 212.255 2.493 5 50 BEBA CCOC(=O)Nc1cc([N+](=O)[O-])ccc1C 242830 AYJFWTBDUMVOBQ-UHFFFAOYSA-N 224.216 2.472 5 50 BEBA CCOc1cc2c(cc1/C=C/[N+](=O)[O-])OCO2 368244 HALSKFIBUKYWPL-ONEGZZNKSA-N 237.211 2.061 5 50 BEBA COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 34455782 HSQIFLIPJUZWEO-UHFFFAOYSA-N 223.228 2.045 5 50 BEBA in-vitro CC(=O)n1nc(Cl)c2cc([N+](=O)[O-])ccc21 160010 DEEUMCDEYWSONU-UHFFFAOYSA-N 239.618 2.258 5 50 BEBA O=[N+]([O-])c1nn(Cc2ccccc2)cc1Cl 614325 HDFAHRHMRNWOCY-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA Cc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 3844887 KEPIENQOWOJEBQ-UHFFFAOYSA-N 216.580 2.465 5 50 BEBA biogenic,in-vitro O=[N+]([O-])c1ccc(-c2nnc3ccccn23)cc1 1057685 WFJDABYYNJGGRK-UHFFFAOYSA-N 240.222 2.305 5 50 BEBA CNc1ccc([N+](=O)[O-])cc1Br 19873060 UQJJTDUGJKNTEZ-UHFFFAOYSA-N 231.049 2.399 5 50 BEBA CC(C)OCCCNc1ccc([N+](=O)[O-])nc1 339950764 PWUPSABHXKZOHN-UHFFFAOYSA-N 239.275 2.217 5 50 BEBA CC[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 2823092 GEIDTAPRRNMISM-JTQLQIEISA-N 238.287 2.362 5 50 BEBA CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 38537048 MPQWRVZHBRBTEK-UHFFFAOYSA-N 219.200 2.207 5 50 BEBA in-vitro CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 32222470 RICLVXMCOVKPRW-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA in-vitro C[N@@+]1(c2cccc(C(F)(F)F)c2)CCC(N)=N1 245231685 IJIVCPNCBLHZJF-KRWDZBQOSA-N 244.240 2.318 5 50 BEBA O=[N+]([O-])c1ccc(Oc2ncccn2)cc1 984097 VLNVCMOMPHXWLG-UHFFFAOYSA-N 217.184 2.177 5 50 BEBA in-vitro O=Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 261494419 XCNMHSCBFOALFJ-UHFFFAOYSA-N 235.117 2.306 5 50 BEBA COc1cc([N+](=O)[O-])ccc1Br 1598621 NTKADLOYTKVXQN-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro Cn1cccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 15987601 AFYIQDHWJYALKM-UHFFFAOYSA-N 242.238 2.477 5 50 BEBA CC(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 63798 KTPFDKIZPSQIEE-VOTSOKGWSA-N 234.255 2.133 5 50 BEBA Cc1nc2ccc([N+](=O)[O-])cc2nc1C 71517 XDRSTGHGOVMLRX-UHFFFAOYSA-N 203.201 2.155 5 50 BEBA in-vitro O=[N+]([O-])c1cc(O)ccc1C(F)(F)F 16125562 NIIKTULPELJXBP-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1 449735 DEPWZMZRRKSAKH-UHFFFAOYSA-N 220.228 2.252 5 50 BEBA Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-] 1711124 NBCOZXBHPKSFSA-UHFFFAOYSA-N 208.004 2.000 5 50 BEBA in-vitro C[C@@H](N)CNc1ccc(Cl)cc1[N+](=O)[O-] 4012589 KTMQUCPJPAGPRB-ZCFIWIBFSA-N 229.667 2.007 5 50 BEBA CCOC(=O)CCc1cc([N+](=O)[O-])cs1 261493857 KVCLCXWYOOHBLZ-UHFFFAOYSA-N 229.257 2.152 5 50 BEBA O=[N+]([O-])c1ccncc1OCCC(F)(F)F 169725786 JFZLVOUNZKVMIA-UHFFFAOYSA-N 236.149 2.321 5 50 BEBA Cc1cccc(N2C[C@@H]3CC[C@H](C2)O3)c1[N+](=O)[O-] 364797571 JLKYMQNUSVTVDG-PHIMTYICSA-N 248.282 2.271 5 50 BEBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccco1 40244 VOVIUHCZEVLDNA-UHFFFAOYSA-N 232.195 2.440 5 50 BEBA COCCOc1cc([N+](=O)[O-])ccc1Cl 86453389 MXHHZWZRZRTDAN-UHFFFAOYSA-N 231.635 2.273 5 50 BEBA CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 153779 DVFJMQCNICEPAI-UHFFFAOYSA-N 234.211 2.253 5 50 BEBA in-vitro CCOc1cc([N+](=O)[O-])c(F)cc1F 261494133 QQXCKGKLCOGNOK-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA COc1ccc2[nH]cc(/C=C/[N+](=O)[O-])c2c1 1569525 NAIAZIKEFZGLDL-SNAWJCMRSA-N 218.212 2.424 5 50 BEBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 2753441 FDMKTLRBJSCSDE-UHFFFAOYSA-N 248.282 2.150 5 50 BEBA O=[N+]([O-])c1ccc(N2CCCCC2)c(CO)c1 4336138 HPJSQHAKICNAIY-UHFFFAOYSA-N 236.271 2.077 5 50 BEBA NNc1c([N+](=O)[O-])ccc(Cl)c1Cl 498044717 SCCYTTMQISVZNF-UHFFFAOYSA-N 222.031 2.187 5 50 BEBA Cc1coc(-c2cc([N+](=O)[O-])ccc2CCO)n1 596647192 FTBULTGUJFSPSK-UHFFFAOYSA-N 248.238 2.093 5 50 BEBA O=[N+]([O-])c1ccc(C2OCCCO2)cc1 75337 BNIKCZNNRBDPAY-UHFFFAOYSA-N 209.201 2.030 5 50 BEBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3O 188379 UAYFNQHKNNPZPP-NSHDSACASA-N 232.239 2.446 5 50 BEBA O=C(O)CCSCc1ccc([N+](=O)[O-])cc1 1687695 TVPMRBXCJXXUNL-UHFFFAOYSA-N 241.268 2.303 5 50 BEBA COC(=O)c1ccc([N+](=O)[O-])c(NC(C)C)c1 95495543 BTXXKLFDNHKKPJ-UHFFFAOYSA-N 238.243 2.202 5 50 BEBA COc1cc(Cl)c(C=O)cc1[N+](=O)[O-] 725343231 DDHZFHTVPGSCLJ-UHFFFAOYSA-N 215.592 2.069 5 50 BEBA O=c1oc2cc(O)ccc2c2ccc(O)cc12 13484727 RIUPLDUFZCXCHM-UHFFFAOYSA-N 228.203 2.357 5 50 BEBA endogenous,in-man CCCOc1ncc([N+](=O)[O-])cc1Cl 221292542 RNPBNFMSIWCSBN-UHFFFAOYSA-N 216.624 2.432 5 50 BEBA CC(C)(CC(=O)O)c1ccc([N+](=O)[O-])cc1 26506957 ITGQCQGQYJVSPE-UHFFFAOYSA-N 223.228 2.347 5 50 BEBA O=[N+]([O-])c1ccnc2[nH]cc(C(F)(F)F)c12 498050840 GQRUPHFLMGESHL-UHFFFAOYSA-N 231.133 2.490 5 50 BEBA Cc1cc(N2CCCC2=O)cc(C)c1[N+](=O)[O-] 8782298 URSSDPBLVVXSCF-UHFFFAOYSA-N 234.255 2.338 5 50 BEBA O=[N+]([O-])c1cccnc1N1CCC=C(Cl)C1 585092702 JLGOOHAGNVOGCM-UHFFFAOYSA-N 239.662 2.323 5 50 BEBA Cn1cnc2c1CC[N@+](C)(Cc1ccccc1)C2 245309757 GCBXQWWPVQYOPQ-GOSISDBHSA-N 242.346 2.123 5 50 BEBA Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 4821710 UNYLUEQYSSXEBR-UHFFFAOYSA-N 233.183 2.238 5 50 BEBA Cc1cc([N+](=O)[O-])c(N)c(Cl)c1C 1083102890 SQGMDVPIQDOBHE-UHFFFAOYSA-N 200.625 2.447 5 50 BEBA O=[N+]([O-])c1cnn(Cc2ccc(Cl)cc2)c1 380103 QOQFIHRRAOBNEO-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA CCOc1ccc(-c2c[nH]cn2)cc1[N+](=O)[O-] 6493509 VUSXUVBUUOISDH-UHFFFAOYSA-N 233.227 2.384 5 50 BEBA CCCCOc1ccc([N+](=O)[O-])cc1C(=O)O 4181844 WBSCBTJMYWQFTH-UHFFFAOYSA-N 239.227 2.472 5 50 BEBA C=CC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 252441348 RTARZTYRNVRFPP-GUTXKFCHSA-N 238.351 2.125 5 50 BEBA biogenic CC12CC(CN1c1ccc(N)cc1[N+](=O)[O-])C2 585099468 MNUBDFOMEIYDQE-UHFFFAOYSA-N 233.271 2.166 5 50 BEBA CCN(CC)CCNc1ccc([N+](=O)[O-])cc1 4522358 NTSZVWZCBXPHKQ-UHFFFAOYSA-N 237.303 2.349 5 50 BEBA COC(=O)c1c([N+](=O)[O-])ccc(F)c1Cl 238855167 QRBHOOOOVVYYAT-UHFFFAOYSA-N 233.582 2.174 5 50 BEBA CSc1cc(C(=O)O)ccc1[N+](=O)[O-] 143654173 CPDDHOWMYREZAG-UHFFFAOYSA-N 213.214 2.015 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 5936709 FFLGMMGFNUWNHK-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 2573076 NWCLYURCWSIPSZ-UHFFFAOYSA-N 231.211 2.364 5 50 BEBA in-vitro Nc1c(F)cc([N+](=O)[O-])cc1Br 15443765 YAQFGXYPGJATMT-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA Nc1n[nH]c2ncc3cc4ccccc4nc3c12 95393616 QGZFKVBYBREHFD-UHFFFAOYSA-N 235.250 2.242 5 50 BEBA CCn1c(C)[n+](CC)c2cc([N+](=O)[O-])ccc21 281279 YVSCIIGBDMLZCC-UHFFFAOYSA-N 234.279 2.185 5 50 BEBA C[N+]1([C@H]2CC[C@H]3CC[C@H]2[C@@H]3O)CCCCC1 239433787 YLUJMEVKOOGTDN-YIYPIFLZSA-N 224.368 2.166 5 50 BEBA biogenic CCCCCCOC(=O)c1[nH]ncc1[N+](=O)[O-] 3833185 HKILIXLHNBIKEE-UHFFFAOYSA-N 241.247 2.055 5 50 BEBA CN(C)c1ccc(Br)c([N+](=O)[O-])c1 122197 NMLRNMMRKWXQLD-UHFFFAOYSA-N 245.076 2.423 5 50 BEBA Nc1cc(F)c(Br)cc1[N+](=O)[O-] 36533678 UBANSCIKTQSEOQ-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA O=[N+]([O-])c1ccc(/C=C/c2cccc(CO)n2)o1 4217117 JQKHJQJVKRFMCO-SNAWJCMRSA-N 246.222 2.246 5 50 BEBA in-man O=C(c1cccc([N+](=O)[O-])c1)C(F)(F)F 1845852 QADCNGZPRUSTJL-UHFFFAOYSA-N 219.118 2.340 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(O)c1Br 7023433 HRVRWIBVVHOHNN-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro O=C(O)/C(F)=C(\F)c1ccccc1[N+](=O)[O-] 4529758 YXLFNHDGNJYUBR-BQYQJAHWSA-N 229.138 2.287 5 50 BEBA C[C@@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] 4401844 XVONMMVMTMGHJV-ZCFIWIBFSA-N 230.651 2.041 5 50 BEBA CCc1cc(C(C)=O)c(O)c([N+](=O)[O-])c1 2573985 HRSNNEAZJXNKEX-UHFFFAOYSA-N 209.201 2.065 5 50 BEBA in-vitro Nc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O 5615905 BKGQKTNQMGETSA-UHFFFAOYSA-N 240.218 2.388 5 50 BEBA CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5735829 MQJJDFNEVSVCBC-UHFFFAOYSA-N 249.314 2.127 5 50 BEBA in-vitro CCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 35101588 MMGQGMIWZUHCLM-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA COc1c(Cl)cc(F)cc1[N+](=O)[O-] 224282630 NMCWMIGHSOLVAJ-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA Cc1c([N+](=O)[O-])cccc1C(C)(C)C(=O)O 687772445 WZGLPDSVUXQELC-UHFFFAOYSA-N 223.228 2.265 5 50 BEBA Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 3129771 MFQAJZKHKQWDBK-UHFFFAOYSA-N 210.189 2.428 5 50 BEBA CCOc1c(F)cc([N+](=O)[O-])cc1F 261494381 WEUNUUIYFHGVNQ-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA Nc1ncc(Cc2ccccc2[N+](=O)[O-])s1 1229715 LQUKZEOTRRAPOM-UHFFFAOYSA-N 235.268 2.224 5 50 BEBA O=[N+]([O-])c1ccc([C@H]2OCCS2)cc1 6093300 SXYNPHRNAFQAKD-VIFPVBQESA-N 211.242 2.357 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 5060298 VUSDWGHGQISTQC-UHFFFAOYSA-N 235.243 2.223 5 50 BEBA Nc1ccc(Br)c(F)c1[N+](=O)[O-] 16125715 DTMANVRIDHGRKN-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro CCOc1ccc(OCC)c([N+](=O)[O-])c1 56419 AUCRWWWSFGZHBK-UHFFFAOYSA-N 211.217 2.392 5 50 BEBA in-vitro Cc1n[nH]c(Sc2ccccn2)c1[N+](=O)[O-] 18217666 ZLKDMPIVTPKSDD-UHFFFAOYSA-N 236.256 2.173 5 50 BEBA O=C(c1cccc([N+](=O)[O-])c1)c1ccccn1 1060216 RJRMONLCDVCAAX-UHFFFAOYSA-N 228.207 2.221 5 50 BEBA Cc1ncc([N+](=O)[O-])cc1C(F)(F)F 238479978 SWXWJZQUQSXUMN-UHFFFAOYSA-N 206.123 2.317 5 50 BEBA COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])on1 90513795 NVHNLFNZDOHJQJ-UHFFFAOYSA-N 248.194 2.036 5 50 BEBA in-vitro CC(C)=CCC(C)(C)[C@H](O)C[N+](=O)[O-] 2997366 ZNRQGYSETWOLQP-SECBINFHSA-N 201.266 2.007 5 50 BEBA O=Cc1cc([N+](=O)[O-])c(F)cc1Cl 34090395 HNOIAPRHNXBCAE-UHFFFAOYSA-N 203.556 2.200 5 50 BEBA Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1 38056524 WHBCZXYGNFDGGX-UHFFFAOYSA-N 231.211 2.364 5 50 BEBA CCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 4776715 INAOWOSITURWKE-UHFFFAOYSA-N 237.259 2.469 5 50 BEBA O=[N+]([O-])c1ccc(Br)nc1Cl 95929599 ZOETZKWSHCVJQA-UHFFFAOYSA-N 237.440 2.406 5 50 BEBA OC[C@@H]1C[C@H]2CCCC[N@+]2(Cc2ccccc2)O1 252428165 RTNPHJYOQAZHEN-OWCLPIDISA-N 248.346 2.252 5 50 BEBA Cc1ccccc1Nc1ncnc(N)c1[N+](=O)[O-] 4059570 QQKCVCNUNJHBNC-UHFFFAOYSA-N 245.242 2.019 5 50 BEBA O=[N+]([O-])c1cc(Br)cc2cn[nH]c12 1395179 UBGVVAXTJXNHFX-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA CCCC(=O)Oc1ccccc1[N+](=O)[O-] 1597235 DMBLCROMMOZRCN-UHFFFAOYSA-N 209.201 2.300 5 50 BEBA O=C(OCC1CC1)c1ccc([N+](=O)[O-])cc1 1638518 HRCUKIJQVPJNQC-UHFFFAOYSA-N 221.212 2.162 5 50 BEBA COc1ccc2nc3ccccc3[n+]([O-])c2c1 4692634 RVYOZHBVNUKELQ-UHFFFAOYSA-N 226.235 2.030 5 50 BEBA C[N+]1([C@@H]2CC[C@H]3CC[C@H]2[C@H]3O)CCCCC1 105256118 YLUJMEVKOOGTDN-SYQHCUMBSA-N 224.368 2.166 5 50 BEBA biogenic Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39796 RIKJWJIWXCUKQV-UHFFFAOYSA-N 221.241 2.301 5 50 BEBA biogenic CC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 2745244 NYTBNNHPQVULBM-SECBINFHSA-N 236.271 2.432 5 50 BEBA O=[N+]([O-])c1ccc(Nc2cccc(O)c2)nc1 5027344 WJZDEXKJKJWWRM-UHFFFAOYSA-N 231.211 2.439 5 50 BEBA CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 5495244 XARDSBCDZPSYTN-UHFFFAOYSA-N 237.240 2.163 5 50 BEBA in-vitro CCOc1ncc([N+](=O)[O-])cc1Cl 95930400 FSEWFELDLLONEG-UHFFFAOYSA-N 202.597 2.042 5 50 BEBA C[C@@H]1Cc2cc(/C=C/[N+](=O)[O-])ccc2O1 4838446 QIJPIFGDBFLVHA-WTSVBCDHSA-N 205.213 2.257 5 50 BEBA COc1cc(/C=C/[N+](=O)[O-])c(OC)cc1C 454985 QSLCRKSFTSEYDC-SNAWJCMRSA-N 223.228 2.260 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])CCCC2 3898867 RIXRKKOALCVECA-UHFFFAOYSA-N 222.200 2.382 5 50 BEBA O=[N+]([O-])c1ccccc1CN1CCSCC1 55543035 GBCGPEHUOBBPPQ-UHFFFAOYSA-N 238.312 2.144 5 50 BEBA CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 225577668 HBYUOCXBEHOHIW-UHFFFAOYSA-N 218.159 2.238 5 50 BEBA CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C 5257009 NSDHLUMTUJWRBE-UHFFFAOYSA-N 224.216 2.472 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccs1 4045914 MSYGPNNGKNUROM-UHFFFAOYSA-N 249.251 2.304 5 50 BEBA O=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 5390773 WPONLEWKUHGAEI-UHFFFAOYSA-N 234.255 2.398 5 50 BEBA Cc1ccc(CNc2cnccn2)cc1[N+](=O)[O-] 170612170 QAYMTTIHSYLVKV-UHFFFAOYSA-N 244.254 2.305 5 50 BEBA C/C=C/C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2166215 NCMIKVHVDWZWIE-ONEGZZNKSA-N 220.228 2.418 5 50 BEBA CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC1 290517099 MHHSRYGZNLZKSL-UHFFFAOYSA-N 220.228 2.372 5 50 BEBA Nc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 263623773 KPLFSWFLGQYYSA-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA CC1(C)CC(=O)N1c1cccc([N+](=O)[O-])c1 670419817 FNWTZJJSNRBZGM-UHFFFAOYSA-N 220.228 2.110 5 50 BEBA O=C(O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 72338575 POSKCQXWHNDYKW-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro Nc1cc(Br)cc(F)c1[N+](=O)[O-] 95080345 PTQHTXBNGYMWER-UHFFFAOYSA-N 235.012 2.079 5 50 BEBA in-vitro CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1403828 FYVUPXRNSBHAJW-UHFFFAOYSA-N 236.252 2.169 5 50 BEBA CC(C)C(=O)Nc1cccc([N+](=O)[O-])c1 302198 YARNVNLKNTXUBT-UHFFFAOYSA-N 208.217 2.189 5 50 BEBA Nc1c([N+](=O)[O-])cccc1C(F)(F)F 12957768 MFLJFFUIURSSKM-UHFFFAOYSA-N 206.123 2.196 5 50 BEBA in-vitro O=C(c1cccc([N+](=O)[O-])c1)N1CCCCC1 366443 PONWMALXGJIZEP-UHFFFAOYSA-N 234.255 2.221 5 50 BEBA CC1(C)CNc2cc([N+](=O)[O-])ccc2O1 2585783 IMTHKLARQSFDMB-UHFFFAOYSA-N 208.217 2.178 5 50 BEBA Cc1cccc(Cn2ccc([N+](=O)[O-])n2)c1 1426782 FCZKJKHYRJYXBO-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA COc1ccc(Br)c([N+](=O)[O-])c1 2510104 KCOBIBRGPCFIGF-UHFFFAOYSA-N 232.033 2.366 5 50 BEBA in-vitro O=[N+]([O-])c1cc(O)c(Br)cc1F 16159351 NVNFKCCUJKPLLT-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA in-vitro O=C(O)c1cc(F)c(F)c([N+](=O)[O-])c1Cl 35333648 VCDHXXPXZNMKSL-UHFFFAOYSA-N 237.545 2.225 5 50 BEBA O=C(O)c1cccc([N+](=O)[O-])c1Br 330043 WTDJEGSXLFHZPY-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1 446804 CGDALIVPMOPCRV-UHFFFAOYSA-N 235.268 2.480 5 50 BEBA O=C(c1ccc([N+](=O)[O-])o1)c1cccs1 4543053 GSORYALEGMPDFE-UHFFFAOYSA-N 223.209 2.480 5 50 BEBA CSc1nc(Cl)nc(Cl)c1[N+](=O)[O-] 169810848 DJTKXBGRFUEERN-UHFFFAOYSA-N 240.071 2.414 5 50 BEBA in-vitro CCOC(=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 224681502 MMMUPDYQDIVXAM-VIFPVBQESA-N 237.255 2.337 5 50 BEBA in-vitro O=[N+]([O-])c1c(-n2ccnc2)ccc2ncccc12 111551620 WMQOEBQHKAYJDM-UHFFFAOYSA-N 240.222 2.329 5 50 BEBA Cc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-] 6681142 BIJGVWVFZFFYII-UHFFFAOYSA-N 218.216 2.370 5 50 BEBA O=[N+]([O-])c1ccc2c(C3=CCNCC3)c[nH]c2c1 37222492 DEPLBTARCUXNHG-UHFFFAOYSA-N 243.266 2.453 5 50 BEBA Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 3860353 BIXZHMJUSMUDOQ-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA biogenic,in-vitro CCOC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 47202810 CWBDZGOBRZAYMQ-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA in-vitro O=[N+]([O-])c1ccncc1N1CCCC(F)(F)C1 169725781 APKZTQZMZZRFFW-UHFFFAOYSA-N 243.213 2.225 5 50 BEBA CC[N+](C)(C)c1ccc(NC(C)=O)cc1 281865 SCQJEWDWTJPLNN-UHFFFAOYSA-O 207.297 2.232 5 50 BEBA O=C(O)Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 19721711 LOJIRIPMRUCZMI-UHFFFAOYSA-N 249.144 2.241 5 50 BEBA O=[N+]([O-])c1cccc(Br)c1O 2583500 VEJSIOPQKQXJAT-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 4256452 SBPHMRSYBPXBIP-UHFFFAOYSA-N 210.189 2.163 5 50 BEBA in-vitro Cc1cc([N+](C)(C)C)cc(C)c1[N+](=O)[O-] 4951693 VAKDZXQTEOLOAL-UHFFFAOYSA-N 209.269 2.408 5 50 BEBA CSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 44689910 GHAWBARMICSLQS-UHFFFAOYSA-N 240.071 2.414 5 50 BEBA in-vitro Cc1cc(OC(C)(C)C(=O)O)ccc1[N+](=O)[O-] 1459502 DFBNIRPZFNMCGB-UHFFFAOYSA-N 239.227 2.145 5 50 BEBA CC[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 469238 CJKPNVGCSZUQID-UHFFFAOYSA-N 243.286 2.493 5 50 BEBA CC[C@@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCC1 2141599 ZDERJVKTWAPGLU-MRVPVSSYSA-N 216.237 2.021 5 50 BEBA CC(C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 3070206 QALATMOYKCXAIM-UHFFFAOYSA-N 216.237 2.021 5 50 BEBA CC(C)OC(=O)Nc1ncc([N+](=O)[O-])s1 44124754 MANHRRINHMIEMT-UHFFFAOYSA-N 231.233 2.008 5 50 BEBA O=[N+]([O-])c1ccc(Br)cc1O 95079338 DTWHNSNSUBKGTC-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(I)c1 1666833 CBYAZOKPJYBCHE-UHFFFAOYSA-N 249.007 2.199 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(CCn2ccnc2)cc1 4025449 HCPMKJOVCNZGSD-UHFFFAOYSA-N 217.228 2.034 5 50 BEBA in-vivo CC(C)(C)c1cc([N+](=O)[O-])c(N)cc1[N+](=O)[O-] 4115608 MWNFNHDLHSFMCR-UHFFFAOYSA-N 239.231 2.383 5 50 BEBA Cc1ncc([N+](=O)[O-])n1Cc1ccc(F)cc1 170581 KPUODRIBSUVWRA-UHFFFAOYSA-N 235.218 2.287 5 50 BEBA CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 2164772 XGGLPIKVFKTQJB-UHFFFAOYSA-N 223.232 2.126 5 50 BEBA COC(=O)c1ccc(-n2cccc2)c([N+](=O)[O-])c1 8730017 ZNWOHFKNSLRESW-UHFFFAOYSA-N 246.222 2.172 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2c(Br)n[nH]c2c1 8730189 JUKJZBGTZKOXPG-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro COCCOc1ccc(Cl)c([N+](=O)[O-])c1 261493842 KKSLMJPZLPCRKV-UHFFFAOYSA-N 231.635 2.273 5 50 BEBA C[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 2164835 SXMKYMZERNKBMA-SSDOTTSWSA-N 209.201 2.173 5 50 BEBA CC(C)c1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1 4267295 PKGBJCRFJHTPAG-UHFFFAOYSA-N 246.270 2.486 5 50 BEBA O=[N+]([O-])c1cccc(COC[n+]2ccccc2)c1 2167085 HWPOESZMKIQLRF-UHFFFAOYSA-N 245.258 2.057 5 50 BEBA COc1ccc2ccncc2c1[N+](=O)[O-] 337073 WDJGGSQGWMVUOD-UHFFFAOYSA-N 204.185 2.152 5 50 BEBA in-vitro O=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 2563845 YIRZRDALQHIURV-UHFFFAOYSA-N 228.207 2.469 5 50 BEBA Cc1noc(/C=C/c2ccncc2)c1[N+](=O)[O-] 4709232 MRFNZEUJMSUGTE-NSCUHMNNSA-N 231.211 2.457 5 50 BEBA CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1 133331 JSZSPHFHMMXJEU-UHFFFAOYSA-N 209.201 2.160 5 50 BEBA O=C(NC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 452709 ZUWRELJOMFUPGP-UHFFFAOYSA-N 240.646 2.140 5 50 BEBA in-vitro c1ccc2c(c1)nnn1c3ccccc3nc21 63369 KPCXPWQRKNQBMW-UHFFFAOYSA-N 220.235 2.431 5 50 BEBA O=C(O)c1ccc(Br)cc1[N+](=O)[O-] 2571659 ZIRHHEZLJGORGU-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA in-vitro CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1O 585672426 TYYYAIMXKZMBBD-UHFFFAOYSA-N 215.592 2.156 5 50 BEBA in-vitro CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4583069 QDRIOMFMLJYXCY-UHFFFAOYSA-N 243.650 2.342 5 50 BEBA O=[N+]([O-])c1[nH]cnc1/C=C/c1ccccc1 8615521 QXGIKCKEMSLDCG-VOTSOKGWSA-N 215.212 2.488 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 156287 ODCLHXGXGFBBTA-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)C 4832152 AREZTZZKYGCDPY-UHFFFAOYSA-N 222.244 2.498 5 50 BEBA CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 38222225 OCTNQAZYWLBDEB-UHFFFAOYSA-N 249.314 2.125 5 50 BEBA O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 2563830 XYMUGROHPQPRST-UHFFFAOYSA-N 244.206 2.355 5 50 BEBA in-vitro COc1ccccc1Nc1[nH]nc(C)c1[N+](=O)[O-] 3998420 PQLOAZPFBIPYKM-UHFFFAOYSA-N 248.242 2.379 5 50 BEBA COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 32222582 USGSGFWEGZVPNF-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro CCOc1ccc(F)c([N+](=O)[O-])c1F 261493741 IIFLHONFMFLZJL-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1F 88121871 JJVRJAIWWGHMNB-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA in-vitro O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O 36533630 FNQAEUBXLFDRKW-UHFFFAOYSA-N 223.106 2.199 5 50 BEBA in-vitro NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl 263624344 PMRODVGVSUSNPG-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA O=[N+]([O-])c1cc2[nH]ncc2cc1Br 16678003 ATTOIRAMFAFXNA-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA O=C(O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 93097596 FSXCNZDIJKLGGU-UHFFFAOYSA-N 219.555 2.086 5 50 BEBA in-vitro COc1ccc(F)c([N+](=O)[O-])c1Cl 261493588 FHQMXSFAYPUONL-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 3860989 IZEZAMILKKYOPW-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 47202459 WLCQMMCPINDPIB-UHFFFAOYSA-N 249.144 2.400 5 50 BEBA O=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1 71978663 CWHFTTJOYAXWOZ-UHFFFAOYSA-N 239.181 2.118 5 50 BEBA Cc1cc(NCc2nocc2C)ncc1[N+](=O)[O-] 708354226 QZNFNMADCKDMGI-UHFFFAOYSA-N 248.242 2.207 5 50 BEBA O=c1oc2cc(Cl)c(O)c([N+](=O)[O-])c2s1 3896007 PIYCWIMSQRUMRH-UHFFFAOYSA-N 247.615 2.122 5 50 BEBA biogenic COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Cl 4829798 UDVMKRHMXJOWQA-UHFFFAOYSA-N 244.634 2.215 5 50 BEBA O=C(O)c1cc2cc([N+](=O)[O-])ccc2cc1O 208845 SQLINTILAKQRPD-UHFFFAOYSA-N 233.179 2.152 5 50 BEBA Cn1c2cccc(=O)c-2nc2ccccc21 3873998 YNCMLFHHXWETLD-UHFFFAOYSA-N 210.236 2.038 5 50 BEBA biogenic,in-vitro Cc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 2597794 RWAXUQGGIRTSSW-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA COc1ccc2c(c1)CC[C@@H](C[N+](C)(C)C)C2=O 401616 ZCBYWOSWMLXSKE-LBPRGKRZSA-N 248.346 2.147 5 50 BEBA Cc1nn(Cc2ccccc2)c(C)c1[N+](=O)[O-] 55325 MYVFMBDPEXBOSC-UHFFFAOYSA-N 231.255 2.456 5 50 BEBA COC(=O)c1cc([N+](=O)[O-])ccc1Cl 164185 VCYWZLGOWNCJNJ-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro COc1cccc(Cn2c([N+](=O)[O-])cnc2C)c1 818864 ARVJECCBRGWVKU-UHFFFAOYSA-N 247.254 2.157 5 50 BEBA CC[C@H](C)NCCOc1ccccc1[N+](=O)[O-] 2824018 OGTXCHFDLIOKPU-JTQLQIEISA-N 238.287 2.362 5 50 BEBA CC[C@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] 4600228 YMWGUZDEFDAFIR-MRVPVSSYSA-N 244.678 2.431 5 50 BEBA O=[N+]([O-])c1cnc2[nH]cc(C(F)(F)F)c2c1 117061028 BAFLUKHMOURLCD-UHFFFAOYSA-N 231.133 2.490 5 50 BEBA in-vitro Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 63299 BRNYFWHUSAMSFB-UHFFFAOYSA-N 235.268 2.224 5 50 BEBA O=C(O)CCCC(=O)c1cccc([N+](=O)[O-])c1 173366 DZGXYWGULNCBPR-UHFFFAOYSA-N 237.211 2.032 5 50 BEBA CC(=O)Oc1cc([N+](=O)[O-])c2ncccc2c1 1685333 IXPYWEGHDYWEFC-UHFFFAOYSA-N 232.195 2.068 5 50 BEBA O=[N+]([O-])c1ccc(O)c(Br)c1 1750322 DCIPFSYBGTWYCR-UHFFFAOYSA-N 218.006 2.063 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(CSc2ncn[nH]2)cc1 18286442 GAPVDAUIUSONCC-UHFFFAOYSA-N 236.256 2.005 5 50 BEBA COc1c(Cl)ccc(F)c1[N+](=O)[O-] 1772575822 IEIDGHWNZQBDDV-UHFFFAOYSA-N 205.572 2.396 5 50 BEBA C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C(C)(C)C1 408220222 UIUYJLQVLWSGPA-QMMMGPOBSA-N 236.275 2.010 5 50 BEBA Cc1ccc(OCCCN(C)C)c([N+](=O)[O-])c1 4914179 MLWGUUQGOQNLNQ-UHFFFAOYSA-N 238.287 2.234 5 50 BEBA CCOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 476376 VECFDVGVZODXPQ-UHFFFAOYSA-N 228.179 2.302 5 50 BEBA Cc1c(C=O)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 3124047 YGZZZGAGZRVEIV-UHFFFAOYSA-N 238.199 2.241 5 50 BEBA O=C(O)CCCc1ccccc1[N+](=O)[O-] 1724285 BMGIMCRPRTWLTE-UHFFFAOYSA-N 209.201 2.002 5 50 BEBA O=C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 2564826 NIWGMOJIGTUDFT-UHFFFAOYSA-N 235.117 2.312 5 50 BEBA in-vitro CC(=O)Nc1cccc(Cl)c1[N+](=O)[O-] 4127813 XQLWLASVOCDOCX-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA COc1cc(/C=C(\C)[N+](=O)[O-])cc(OC)c1 4695283 COWWUDOIMZXGFM-XBXARRHUSA-N 223.228 2.341 5 50 BEBA in-vitro O=C(O)c1ccc2ccccc2c1[N+](=O)[O-] 32137092 RMWJWWYYJRAOMD-UHFFFAOYSA-N 217.180 2.446 5 50 BEBA in-vitro O=c1oc2cc(O)cc(O)c2c2ccccc12 5731721 VLXAGAKGJMXVQF-UHFFFAOYSA-N 228.203 2.357 5 50 BEBA biogenic O=[N+]([O-])c1c(O)ccc(F)c1Br 231472312 NRHXZOPTZSJCQL-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA CCOc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 261494501 ZFLRKAMPIXCJEZ-UHFFFAOYSA-N 236.149 2.407 5 50 BEBA Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2388605 LWRGNXGRIFXGAI-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC1 124762 DXRDBEPLCGUYCF-VMPITWQZSA-N 246.266 2.230 5 50 BEBA in-vitro O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1 290783 FMHUFUKQFXAKPZ-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA O=[N+]([O-])c1ccc(-c2ccncc2F)cn1 725242503 LQMAWNQAUMWEOX-UHFFFAOYSA-N 219.175 2.191 5 50 BEBA O=[N+]([O-])c1cccc(OC(F)(F)F)c1 167144 QBWJNDOQIAARBT-UHFFFAOYSA-N 207.107 2.493 5 50 BEBA in-vitro Cc1c(C2=NC(C)(C)CO2)cccc1[N+](=O)[O-] 305285 JKBQEJQMTASJLJ-UHFFFAOYSA-N 234.255 2.459 5 50 BEBA CC[C@@](C)(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 3080660 MWQJVIRWOXBIOC-JTQLQIEISA-N 224.216 2.497 5 50 BEBA O=[N+]([O-])c1cccc(C(F)(F)F)c1O 4419758 FMPKXGYPBUWNNG-UHFFFAOYSA-N 207.107 2.319 5 50 BEBA in-vitro CCOC(=O)c1cc(F)c([N+](=O)[O-])cc1F 47202806 BKVLJZWOBHTSHB-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA Cc1cc([N+](=O)[O-])c(O)cc1Br 62152886 GFMIIMRPQYYMLY-UHFFFAOYSA-N 232.033 2.371 5 50 BEBA O=C(NC1CCCC1)c1cccc([N+](=O)[O-])c1 368769 QDSZTSLXMPVSJZ-UHFFFAOYSA-N 234.255 2.267 5 50 BEBA O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1O 94986222 AQFUXULZYFMXBV-UHFFFAOYSA-N 225.097 2.458 5 50 BEBA in-vitro Cc1c(N)ccc(Br)c1[N+](=O)[O-] 36532850 NPLDFXDXQWVDGE-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA COC(OC)c1c(F)ccc([N+](=O)[O-])c1F 95933604 DQGCXNOSRFPHCV-UHFFFAOYSA-N 233.170 2.164 5 50 BEBA in-vitro COC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 4727636 DPYBGITYIGIHOP-UHFFFAOYSA-N 236.227 2.114 5 50 BEBA O=[N+]([O-])c1ccccc1Br 1596127 ORPVVAKYSXQCJI-UHFFFAOYSA-N 202.007 2.357 5 50 BEBA in-vitro Cc1ccc(OCCn2ccnc2)c([N+](=O)[O-])c1 312040 PANVGCXRYUEUGE-UHFFFAOYSA-N 247.254 2.179 5 50 BEBA CS/C(=C/[N+](=O)[O-])Nc1ccc(O)cc1F 5211184 BHJZOMXYVPCLJQ-WEVVVXLNSA-N 244.247 2.382 5 50 BEBA Nc1cc2nc3ccccc3nc2cc1O 5422104 AJIRUIWLEVHQMU-UHFFFAOYSA-N 211.224 2.071 5 50 BEBA in-vitro CCC1(c2ccc([N+](=O)[O-])cc2)OCCO1 5917949 YMSMDYNWHLAKKW-UHFFFAOYSA-N 223.228 2.204 5 50 BEBA O=C(O)Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 85471904 JBBKHDVSQPUPHD-UHFFFAOYSA-N 249.144 2.241 5 50 BEBA in-vitro CC(C)=CCC(C)(C)[C@@H](O)C[N+](=O)[O-] 2997367 ZNRQGYSETWOLQP-VIFPVBQESA-N 201.266 2.007 5 50 BEBA CCOC(=O)c1ccc([N+](=O)[O-])cc1C 44747848 RMCICYWZZMDLLO-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA CC1=Nc2cc([N+](=O)[O-])ccc2NC(=O)C1 100648642 XRCMCWYNHVSDJX-UHFFFAOYSA-N 219.200 2.029 5 50 BEBA COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 152974 XRTKWPWDSUNLHS-UHFFFAOYSA-N 215.592 2.035 5 50 BEBA in-vitro C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 209409 LFEHWENPAZXMSC-MRVPVSSYSA-N 238.243 2.202 5 50 BEBA O=[N+]([O-])c1cc(F)ccc1N1CCCC1 4244795 PSUGFUCCTASXGW-UHFFFAOYSA-N 210.208 2.334 5 50 BEBA in-vitro O=[N+]([O-])c1c[nH]c2ncc(Br)cc12 44185231 GHHWPSOGKLMSCJ-UHFFFAOYSA-N 242.032 2.234 5 50 BEBA in-vitro O=[N+]([O-])c1cc(O)c(F)c(C(F)(F)F)c1 261493461 BPFVFQDUZGXKNH-UHFFFAOYSA-N 225.097 2.458 5 50 BEBA Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1N 4104313 FEBLWQMPDLWAAM-UHFFFAOYSA-N 221.260 2.086 5 50 BEBA in-vitro Cc1c(F)c([N+](=O)[O-])cc([N+](=O)[O-])c1F 34214758 GONFSKOWDVAZFW-UHFFFAOYSA-N 218.115 2.090 5 50 BEBA in-vitro C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O 4798049 AWWVCUPVXCDDHS-VOTSOKGWSA-N 207.185 2.083 5 50 BEBA CC(=N)CC(=O)c1ccc([N+](=O)[O-])cc1 4738208 WUFMINDEDUWDAX-UHFFFAOYSA-N 206.201 2.207 5 50 BEBA O=[N+]([O-])c1ccc(-c2ncccc2O)cc1 251351 FBYUBSYQHRCWAY-UHFFFAOYSA-N 216.196 2.362 5 50 BEBA Cc1cc([N+](=O)[O-])cc2nc(S)oc12 642884502 JYQPNWNMWXPTBL-UHFFFAOYSA-N 210.214 2.333 5 50 BEBA O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 33994 HAWFRXCIWBFGHH-UHFFFAOYSA-N 216.196 2.198 5 50 BEBA in-vitro Cc1cccc(C(=O)NC(C)C)c1[N+](=O)[O-] 465228 ZNZJTSGMNMHUOB-UHFFFAOYSA-N 222.244 2.041 5 50 BEBA O=C(O)c1cc([N+](=O)[O-])ccc1Br 56845 UVFWYVCDRKRAJH-UHFFFAOYSA-N 246.016 2.056 5 50 BEBA C[N+](C)(C)CCSC(=O)c1ccccc1 2527990 WHFRQMFIMVEPIU-UHFFFAOYSA-N 224.349 2.266 5 50 BEBA in-vitro COC(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 4347638 KDBFIMHBQVKQTJ-UHFFFAOYSA-N 238.243 2.202 5 50 BEBA CCCOc1cc([N+](=O)[O-])ccc1OC 57543976 WRVKWDXNFSAJLZ-UHFFFAOYSA-N 211.217 2.392 5 50 BEBA O=C(Nc1cccnc1)c1cccc([N+](=O)[O-])c1 433226 SUFBXXRIPSNILO-UHFFFAOYSA-N 243.222 2.242 5 50 BEBA C[N@+]12CCCC[C@@H]1[C@@H](CCCO)CCC2 245231898 MBZRGAYZZWRWKM-MGPQQGTHSA-N 212.357 2.168 5 50 BEBA biogenic COc1cc(Br)c(O)c([N+](=O)[O-])c1 8729788 GAVVLRJHVWIDPK-UHFFFAOYSA-N 248.032 2.072 5 50 BEBA CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cn1 4460024 GPDNDHDFFZPJGP-UHFFFAOYSA-N 237.259 2.365 5 50 BEBA CC[C@](C)(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 3080661 MWQJVIRWOXBIOC-SNVBAGLBSA-N 224.216 2.497 5 50 BEBA Nc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F 4334571 XOQNQGVENLOUBD-UHFFFAOYSA-N 224.113 2.335 5 50 BEBA in-vitro Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 2513203 QXIKEFNBFUHDHK-UHFFFAOYSA-N 222.122 2.076 5 50 BEBA in-vitro Cc1ccccc1Cn1cnc([N+](=O)[O-])c1 4809653 LOIRIVCXGZIAIZ-UHFFFAOYSA-N 217.228 2.148 5 50 BEBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)s1 4086407 APWYALWJANASTQ-UHFFFAOYSA-N 208.582 2.218 5 50 BEBA O=[N+]([O-])c1ccc2ncc(Br)n2c1 40564719 LEZQAJJLSXPPRZ-UHFFFAOYSA-N 242.032 2.005 5 50 BEBA Cc1cc([N+](=O)[O-])c(F)c(Br)c1N 96024684 IKRPPOOTRJWOEG-UHFFFAOYSA-N 249.039 2.387 5 50 BEBA CO[C@@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 272745360 JEAUJSZYDHPBLC-QMMMGPOBSA-N 249.270 2.288 5 50 BEBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccco1 4006104 CTMRLATWDPKMGM-UHFFFAOYSA-N 232.195 2.440 5 50 BEBA NCc1c([N+](=O)[O-])ccc(Cl)c1Cl 21984050 NVQPKDBOSKBIEX-UHFFFAOYSA-N 221.043 2.360 5 50 BEBA in-vitro CN(C)/C=C/c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 71775454 FTGPISCZYQYHPV-VOTSOKGWSA-N 237.215 2.035 5 50 BEBA O=[N+]([O-])c1cc(Br)cc(F)c1O 56699 ACQVEWFMUBXEMR-UHFFFAOYSA-N 235.996 2.202 5 50 BEBA biogenic,in-vitro CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 337300 BUZMXMGVGWIAJH-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA O=C(c1ccccc1[N+](=O)[O-])N1CCCCC1 2485715 QFRDNSHELUDVAL-UHFFFAOYSA-N 234.255 2.221 5 50 BEBA COc1cccc2c1nc1ccccc1[n+]2C 6068493 NIKBRKQHDZFDIQ-UHFFFAOYSA-N 225.271 2.221 5 50 BEBA in-vitro CCOC(=O)Cc1cccc([N+](=O)[O-])c1C 169204970 XTIYTNIZPQPWAT-UHFFFAOYSA-N 223.228 2.009 5 50 BEBA CCC[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 4054768 WUQPKOIIDMCMIF-SECBINFHSA-N 238.243 2.260 5 50 BEBA CC[C@@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] 4600227 YMWGUZDEFDAFIR-QMMMGPOBSA-N 244.678 2.431 5 50 BEBA O=Cc1cccnc1-c1cccc([N+](=O)[O-])c1 3884530 CKHJMVUGYKMMKW-UHFFFAOYSA-N 228.207 2.469 5 50 BEBA CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 3961534 YATAVUWVWRFIRI-UHFFFAOYSA-N 208.217 2.333 5 50 BEBA Cc1ccc([N+](=O)[O-])c(OCCn2ccnc2)c1 4842044 LGVCLORWXCLSOG-UHFFFAOYSA-N 247.254 2.179 5 50 BEBA CCCOc1ccc([N+](=O)[O-])c(NC)c1 95496099 TXAKVAMJZKEMRU-UHFFFAOYSA-N 210.233 2.425 5 50 BEBA O=Cc1cc2cccc([N+](=O)[O-])c2cc1C=O 2519747 QPGMESNZJCVKOW-UHFFFAOYSA-N 229.191 2.373 5 50 BEBA O=[N+]([O-])c1cc(Br)cc2c1NCC2 4806472 VXKXMHDXFLFIFI-UHFFFAOYSA-N 243.060 2.325 5 50 BEBA COc1ccc(Br)c(O)c1[N+](=O)[O-] 242688203 VKMUUEFMOLCQPZ-UHFFFAOYSA-N 248.032 2.072 5 50 BEBA CCCCSc1ncc([N+](=O)[O-])cn1 261493432 AYOATEJFRFALDW-UHFFFAOYSA-N 213.262 2.277 5 50 BEBA Nc1ccc(Cl)c(Cl)c1[N+](=O)[O-] 6091749 GTCVNPULEBIHMP-UHFFFAOYSA-N 207.016 2.484 5 50 BEBA in-vitro COC(=O)c1cc(OC)c([N+](=O)[O-])cc1Cl 83228262 VCVQUCAIJKTZQU-UHFFFAOYSA-N 245.618 2.043 5 50 BEBA CC(C)(Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 1571189 RYQDSPKQTUQTND-UHFFFAOYSA-N 224.216 2.193 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2[nH]cc(C3=CCNCC3)c2c1 1854471 KGYMINZNPVBXCA-UHFFFAOYSA-N 243.266 2.453 5 50 BEBA O=[N+]([O-])c1cccnc1NC1CCCC1 20135258 LECSNDXAVMVGGY-UHFFFAOYSA-N 207.233 2.344 5 50 BEBA Cc1cccc(NCc2cc[nH]n2)c1[N+](=O)[O-] 170602850 AEGGZOJEGNWNCU-UHFFFAOYSA-N 232.243 2.238 5 50 BEBA CCOc1c(F)cc(F)cc1[N+](=O)[O-] 263625240 YADWVVSRBSSIIA-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 1599507 ZPYLRHGQFFDNOH-UHFFFAOYSA-N 222.244 2.125 5 50 BEBA in-vitro CNc1ccc2ncccc2c1[N+](=O)[O-] 5549864 FKTDYZCHWXTGMA-UHFFFAOYSA-N 203.201 2.185 5 50 BEBA in-vitro CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 34411661 FWOACYVHDUBZDT-UHFFFAOYSA-N 209.201 2.080 5 50 BEBA Cc1cc(Br)c(C=O)cc1[N+](=O)[O-] 38540406 OKHCEMLRYRLMEX-UHFFFAOYSA-N 244.044 2.478 5 50 BEBA CCOc1ccc([N+](=O)[O-])c(F)c1F 261494361 VUCWHNVRSUUSKP-UHFFFAOYSA-N 203.144 2.272 5 50 BEBA CC(C)(C)NCc1ccc([N+](=O)[O-])cc1 185240 DZSPAYFRZMHQOQ-UHFFFAOYSA-N 208.261 2.483 5 50 BEBA CN(C)c1ccc([N+](=O)[O-])cc1Cl 4773746 OZKAWTHGBGLZKC-UHFFFAOYSA-N 200.625 2.314 5 50 BEBA Cc1ccc(CNc2ncccn2)cc1[N+](=O)[O-] 170603089 OATWSAICCNTMLN-UHFFFAOYSA-N 244.254 2.305 5 50 BEBA Cc1cccc(-n2cc([N+](=O)[O-])nc2C)c1 13233553 KUIYDNSTCVNFTD-UHFFFAOYSA-N 217.228 2.397 5 50 BEBA Nc1cc([N+](=O)[O-])ccc1OC(F)(F)F 14628566 QMEGHVYHZCJNOH-UHFFFAOYSA-N 222.122 2.076 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2nonc2c1N1CCCCC1 4949289 FLGKPNKTGVHXPL-UHFFFAOYSA-N 248.242 2.121 5 50 BEBA O=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1 101945 JPHKHMWMYZLRQR-UHFFFAOYSA-N 246.222 2.118 5 50 BEBA Cc1n[nH]c(N2CCCCCC2)c1[N+](=O)[O-] 4060231 BBIOAJZRRCXVOY-UHFFFAOYSA-N 224.264 2.007 5 50 BEBA Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 1686606 JMDVARRGYWIJGZ-UHFFFAOYSA-N 216.580 2.465 5 50 BEBA biogenic,in-vitro CCOC(=O)CCc1ccccc1[N+](=O)[O-] 106490660 NXPDBIQALSQRCP-UHFFFAOYSA-N 223.228 2.091 5 50 BEBA in-vitro NCCCNc1ccc(Cl)cc1[N+](=O)[O-] 4670550 CKKHCAGCBHZCEE-UHFFFAOYSA-N 229.667 2.009 5 50 BEBA C[C@H](CCC(=O)c1ccccc1)[N+](=O)[O-] 2173697 IEEUIPIRQIGXIT-SECBINFHSA-N 207.229 2.315 5 50 BEBA Nc1ccc2[nH]c3ccccc3c(=O)c2c1 4099202 PIGCSKVALLVWKU-UHFFFAOYSA-N 210.236 2.264 5 50 BEBA in-vitro COc1ccc2onc(C)c2c1[N+](=O)[O-] 221683264 LEZMSQWXQRQOKW-UHFFFAOYSA-N 208.173 2.053 5 50 BEBA O=[N+]([O-])c1ccc(Cn2cc(Cl)cn2)cc1 614334 KQKCTGBPWUIGFS-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C 4583127 YQHHKRRVFKNGDB-UHFFFAOYSA-N 223.232 2.045 5 50 BEBA O=[N+]([O-])c1ccc(NC2CCCC2)nc1 20135388 FRZYECCLSBDJOW-UHFFFAOYSA-N 207.233 2.344 5 50 BEBA in-vitro COc1ccc2c(c1)CC[C@H](C[N+](C)(C)C)C2=O 4827729 ZCBYWOSWMLXSKE-GFCCVEGCSA-N 248.346 2.147 5 50 BEBA O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F 26899395 UYQMNEZWVKRWMS-UHFFFAOYSA-N 227.582 2.331 5 50 BEBA CCN1c2ccc([N+](=O)[O-])cc2C[C@H]1C 71774308 XSWGZWBYNSMUIM-MRVPVSSYSA-N 206.245 2.366 5 50 BEBA O=[N+]([O-])c1cccc(OC(F)(F)F)c1O 85476717 UVLZLZHRZNVVGL-UHFFFAOYSA-N 223.106 2.199 5 50 BEBA in-vitro O=c1c([N+](=O)[O-])cccn1C[C@@H]1C[C@H]2CC[C@H]1C2 253425734 CRFXVCSCUFIXND-DCAQKATOSA-N 248.282 2.193 5 50 BEBA O=[N+]([O-])c1ccc(N2CCSCC2)cc1 4859561 IRHIMRCEUXJBGP-UHFFFAOYSA-N 224.285 2.148 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(N2CCSC2)c(F)c1 141433022 IWLIKOIMNYIWPM-UHFFFAOYSA-N 228.248 2.245 5 50 BEBA CCOC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 263623907 LSJBBQALGCTFQH-UHFFFAOYSA-N 231.154 2.050 5 50 BEBA CC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1705015 FFKZZFYNPRVOMB-UHFFFAOYSA-N 213.620 2.380 5 50 BEBA in-vitro O=[N+]([O-])c1cccc(F)c1Br 16159283 ICIVWQQTOYDXDM-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-] 4974753 PXIZISQDNJKAOB-UHFFFAOYSA-N 205.169 2.010 5 50 BEBA Cc1cc2nc(N)oc2c([N+](=O)[O-])c1Cl 97757452 OJIYUCZCRWOPSJ-UHFFFAOYSA-N 227.607 2.280 5 50 BEBA CC(=O)c1cc(F)cc(F)c1[N+](=O)[O-] 263622789 AXTHROLBVUDKQV-UHFFFAOYSA-N 201.128 2.076 5 50 BEBA CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)O 2526141 MWKMORRXGBNTIF-SECBINFHSA-N 239.227 2.145 5 50 BEBA CC(C)c1ccc(C(=O)O)c([N+](=O)[O-])c1 116225065 LMEMHNYHGJJMEK-UHFFFAOYSA-N 209.201 2.416 5 50 BEBA O=[N+]([O-])c1cccc(-c2ccc(CO)o2)c1 122871 FYHBDKDVWMCYFS-UHFFFAOYSA-N 219.196 2.347 5 50 BEBA Cc1c(Br)cc(N)cc1[N+](=O)[O-] 346040 FJRVWYCECCQKPB-UHFFFAOYSA-N 231.049 2.248 5 50 BEBA in-vitro O=[N+]([O-])c1ccc2ncc(Cl)nc2c1 2166178 DCWHGXURAAYUEC-UHFFFAOYSA-N 209.592 2.191 5 50 BEBA in-vitro O=[N+]([O-])c1ccc([C@@H]2CCCNC2)cc1 63772271 IFEPNLVXIOKMEY-SNVBAGLBSA-N 206.245 2.062 5 50 BEBA CC(=O)SCc1ccc([N+](=O)[O-])cc1 38997207 HFWGVLOQUXAWPJ-UHFFFAOYSA-N 211.242 2.375 5 50 BEBA CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 4428470 YWANGSCDWBUSBK-UHFFFAOYSA-N 214.608 2.207 5 50 BEBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O 7023212 MNCAEAPELOWRRK-UHFFFAOYSA-N 209.201 2.218 5 50 BEBA in-vitro COC(=O)c1cc2ccccc2c([N+](=O)[O-])c1O 314253 SMEAMGOZNIOEDU-UHFFFAOYSA-N 247.206 2.240 5 50 BEBA O=C1Nc2ccc([N+](=O)[O-])c3cccc1c23 4020504 PNSWIQHOUVJDSL-UHFFFAOYSA-N 214.180 2.314 5 50 BEBA CCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] 95883455 HOGARSMHWIZTTR-UHFFFAOYSA-N 229.619 2.425 5 50 BEBA in-vitro Cc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 209515 MTXLZDFMPALDDA-UHFFFAOYSA-N 215.212 2.360 5 50 BEBA O=[N+]([O-])c1cccc(Cn2cc(Cl)cn2)c1 614342 LGBXQFPKDVMYFE-UHFFFAOYSA-N 237.646 2.493 5 50 BEBA CC(=O)c1ccc(N2CC=CC2)c([N+](=O)[O-])c1 310233200 HGPIQBRQIXCTCB-UHFFFAOYSA-N 232.239 2.174 5 50 BEBA Cc1cc(Br)ncc1[N+](=O)[O-] 13214362 OSYUAHGEDKTDOX-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(I)cc1 1511626 SCCCFNJTCDSLCY-UHFFFAOYSA-N 249.007 2.199 5 50 BEBA in-vitro COc1ccc2nc3ccc(=O)cc-3oc2c1 4521696 KNYYMGDYROYBRE-UHFFFAOYSA-N 227.219 2.301 5 50 BEBA in-vitro CCc1cc([N+](=O)[O-])c(NC(C)=O)cc1C 4760361 BPOJRIGQRSHNDE-UHFFFAOYSA-N 222.244 2.424 5 50 BEBA O=[N+]([O-])c1c(F)cccc1Br 16159789 VFPAOFBPEYCAAZ-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro CC[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 2036985 XBGNOMBPRQVJSR-VIFPVBQESA-N 209.201 2.173 5 50 BEBA in-vitro CC(C)CCNc1ncccc1[N+](=O)[O-] 20863068 QFXYPDMYRQXCQB-UHFFFAOYSA-N 209.249 2.448 5 50 BEBA in-vitro Cc1cnc(OCC(C)C)c([N+](=O)[O-])c1 176701889 NSELILLZTWSJEG-UHFFFAOYSA-N 210.233 2.333 5 50 BEBA O=[N+]([O-])c1cscc1Br 196479085 YRUMNUXQDRKYLW-UHFFFAOYSA-N 208.036 2.419 5 50 BEBA O=[N+]([O-])c1cccc(Br)c1F 2547857 MWYFDHRLYOKUMH-UHFFFAOYSA-N 219.997 2.496 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(NC(=S)NC2CC2)cc1 4685199 BZQDSUAJSJUJFE-UHFFFAOYSA-N 237.284 2.044 5 50 BEBA Cc1cc(Br)cnc1[N+](=O)[O-] 21982284 VKFNGESSJFKZEK-UHFFFAOYSA-N 217.022 2.061 5 50 BEBA in-vitro O=[N+]([O-])c1ccc(CN2CCCC2)cc1 4989019 YRULNKOFMFLCNV-UHFFFAOYSA-N 206.245 2.191 5 50 BEBA in-vitro CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])o1 68812928 WNMYFKYXNKXPFH-UHFFFAOYSA-N 213.189 2.143 5 50 BEBA NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1Cl 263624380 PXLAQSGHAKAWDI-UHFFFAOYSA-N 235.026 2.001 5 50 BEBA