smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cnn([C@H]2CCCCO2)c1 224873267 YJVPCRYLRDYTCH-MRVPVSSYSA-N 197.194 1.490 5 50 ADBA O=Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 85223478 MCQDLKFHFLTMAM-UHFFFAOYSA-N 196.118 1.316 5 50 ADBA CCC(=C[N+](=O)[O-])CC 140796537 XOYGEDMFXWCIJS-UHFFFAOYSA-N 129.159 1.967 5 50 ADBA O=[N+]([O-])c1ccccc1[N+](=O)[O-] 4261808 IZUKQUVSCNEFMJ-UHFFFAOYSA-N 168.108 1.503 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)NCCN2 26896085 ZVDCYZVYRXZJQF-UHFFFAOYSA-N 179.179 1.432 5 50 ADBA in-vitro C[C@H]1O[C@@H](C[N+](C)(C)C)CS1 3874574 NZAMMJKYTYHSHN-YUMQZZPRSA-N 176.305 1.171 5 50 ADBA CNc1ccc(F)cc1[N+](=O)[O-] 4255988 QELGNVHWXQYICY-UHFFFAOYSA-N 170.143 1.776 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1NC=O 1657063 WMFURCICLSTGEJ-UHFFFAOYSA-N 196.162 1.172 5 50 ADBA in-vitro CC(=O)Nc1cc(O)ccc1[N+](=O)[O-] 25724808 AIYFITVQMIFCGJ-UHFFFAOYSA-N 196.162 1.259 5 50 ADBA O=[N+]([O-])c1ccccc1-n1cncn1 34412144 VRTXNVSANZBXNW-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 1512399 RKRXTVLCZDPERO-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA Nc1nsc2ccc([N+](=O)[O-])cc12 4276628 LDTCWISGJYTXDC-UHFFFAOYSA-N 195.203 1.787 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1F 143861389 WDQHQUDZNPCCAF-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro COc1cc(CO)cc([N+](=O)[O-])c1 39090162 YHVWSNFJLXOVCZ-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA CC(=O)c1ccc(F)cc1[N+](=O)[O-] 95348205 FWVAEFFNYPYLFH-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA in-vitro NCc1ccc([N+](=O)[O-])s1 44248521 GIUPGSUAELRKOZ-UHFFFAOYSA-N 158.182 1.115 5 50 ADBA in-vitro CCOC(=O)c1ncccc1[N+](=O)[O-] 90470966 IBHCPBWFCRFRTR-UHFFFAOYSA-N 196.162 1.167 5 50 ADBA in-vitro COc1cccc(C(=O)O)c1[N+](=O)[O-] 1596370 YMOMYSDAOXOCID-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro NC(=S)Nc1ccc([N+](=O)[O-])cc1 5785481 BLYAANPIHFKKMQ-UHFFFAOYSA-N 197.219 1.250 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc(N)c1C 337312 RSRLXRIHUGVPDS-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1N 3860904 GVBHRNIWBGTNQA-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro CCCn1ncc([N+](=O)[O-])c1Cl 95704791 FOPFCYXEOWILLE-UHFFFAOYSA-N 189.602 1.855 5 50 ADBA Nc1cc(Cl)c([N+](=O)[O-])cc1N 4283764 LOQLMWFVXRZASN-UHFFFAOYSA-N 187.586 1.413 5 50 ADBA COc1ncc([N+](=O)[O-])cc1C 8698125 HEDKXDCXKNQWEX-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro O=C(O)c1ccc([N+](=O)[O-])c(F)c1 167449 WVZBIQSKLXJFNX-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(F)c1 12471358 PLEJCMKVJYUUBA-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cn2c(C)nnc12 95496145 GKMNUWYJEWYKIS-UHFFFAOYSA-N 192.178 1.254 5 50 ADBA in-vitro Nc1nc2ccccc2cc1[N+](=O)[O-] 19929643 JQUPBDWYDNZJQC-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA CCC(CC)(C[N+](=O)[O-])C[N+](=O)[O-] 1760280 XOGZZVNGLVHBRD-UHFFFAOYSA-N 190.199 1.346 5 50 ADBA Cc1cc(C)c(N)c([N+](=O)[O-])c1 3877350 VSRYYONYIUUFFY-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro COc1cc(Cl)cnc1[N+](=O)[O-] 196375591 ZBRYRVCRBMYYDO-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA COc1cc(F)cc([N+](=O)[O-])c1F 263623410 HEODPVGPAUWDMN-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA Cc1cc(CO)cc([N+](=O)[O-])c1 34212398 IVYZQNHRDOGBHH-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro CN(C)c1ccc([N+](=O)[O-])cc1F 44185294 QTXUWCWOGLFTTP-UHFFFAOYSA-N 184.170 1.800 5 50 ADBA in-vitro [O-][N+]1(CCc2ccccn2)CCCC1 45028128 SXAJOHCKWJVTCV-UHFFFAOYSA-N 192.262 1.733 5 50 ADBA O=[N+]([O-])c1cnc2ccc(Cl)cn12 196349517 ZQQURVJZGGESQS-UHFFFAOYSA-N 197.581 1.896 5 50 ADBA in-vitro O=[N+]([O-])CCC1CC1 138517227 QLYALZVIIJBFNA-UHFFFAOYSA-N 115.132 1.063 5 50 ADBA Cc1c([N+](=O)[O-])cncc1[N+](=O)[O-] 98180701 TWSPEQRWUUBWAJ-UHFFFAOYSA-N 183.123 1.206 5 50 ADBA in-vitro Nc1ncc2cc([N+](=O)[O-])ccc2n1 71257108 GVIKGAWHOIFUFB-UHFFFAOYSA-N 190.162 1.120 5 50 ADBA CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 5019306 HTOMFNRBNSBPIU-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro C[C@@H](O)C1([N+](=O)[O-])CCCCC1 2141656 YIKCHZRYVSLLSN-SSDOTTSWSA-N 173.212 1.347 5 50 ADBA CCOc1ccc(C=O)cc1[N+](=O)[O-] 1410778 RPJKVMCCDKVUJN-UHFFFAOYSA-N 195.174 1.806 5 50 ADBA CNc1ccc(C=O)cc1[N+](=O)[O-] 3886141 PUJBBHWWDARUJE-UHFFFAOYSA-N 180.163 1.449 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(Cl)nc1O 13301916 SCGNWULOSYKTQP-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro CN(C)/C=C/c1ncccc1[N+](=O)[O-] 71257750 RQSUTXCBSMADJU-FNORWQNLSA-N 193.206 1.522 5 50 ADBA COc1n[nH]c2cc([N+](=O)[O-])ccc12 89196042 OZYWKOVKYCUERD-UHFFFAOYSA-N 193.162 1.480 5 50 ADBA O=[N+]([O-])c1ccc[nH]c1=S 1648600 LKNPLDRVWHXGKZ-UHFFFAOYSA-N 156.166 1.652 5 50 ADBA COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1666717 OTMLGCBMOMNGCV-UHFFFAOYSA-N 198.134 1.512 5 50 ADBA O=[N+]([O-])c1ccc(Cl)nc1 2564034 BAZVFQBTJPBRTJ-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA O=[N+]([O-])c1cc(O)c(F)c(F)c1 36533216 QEBOTENBPZWUEC-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro COc1cccc(N)c1[N+](=O)[O-] 38916145 RITQAMSEQYWFML-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CNCCO2 138469162 XLSJIONOSGAQDN-UHFFFAOYSA-N 194.190 1.077 5 50 ADBA in-vitro O=Cc1ccc(F)cc1[N+](=O)[O-] 1627046 ORCGMGUNVGVHDN-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro CC(=O)CC(C)(C)C[N+](=O)[O-] 2167994 HKYNUYYAUZSEKP-UHFFFAOYSA-N 159.185 1.268 5 50 ADBA in-vitro Cc1cnc(Cl)cc1[N+](=O)[O-] 72190312 PEGDFBBVKXPIME-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c(CCO)c1 95775284 MCHWKGNTOWXQDV-UHFFFAOYSA-N 185.154 1.269 5 50 ADBA in-vitro O=C(O)CCc1ccc([N+](=O)[O-])cc1 84189 VZOPVJNBOQOLPN-UHFFFAOYSA-N 195.174 1.612 5 50 ADBA in-vitro Cn1cnc2c([N+](=O)[O-])cccc21 1420641 RFLMKPLHWAENSE-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro CCOc1cccc([N+](=O)[O-])c1 1686927 LFOLBPDHVGDKGJ-UHFFFAOYSA-N 167.164 1.994 5 50 ADBA in-vitro Cc1cc(N)cc([N+](=O)[O-])c1 2149929 DZIJEXQVMORGQX-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc2[nH]ncc12 14984627 LOUROJHPRPDTSO-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc2c1CCN2 95670339 OTFXHUNYBBEOEL-UHFFFAOYSA-N 178.191 1.871 5 50 ADBA CCCCn1cc([N+](=O)[O-])cn1 67799268 CQFDLUGTBUUXMU-UHFFFAOYSA-N 169.184 1.591 5 50 ADBA in-vitro CN(C)c1ccncc1[N+](=O)[O-] 19801014 GEHOQYGRCHPWEJ-UHFFFAOYSA-N 167.168 1.056 5 50 ADBA O=[N+]([O-])c1cc2c(cc1O)OCO2 35741598 BYOPSCVORPQJID-UHFFFAOYSA-N 183.119 1.029 5 50 ADBA O=[N+]([O-])c1ccc2c(c1)CCOC2 39116803 RTBMEWOVRPAVMS-UHFFFAOYSA-N 179.175 1.668 5 50 ADBA in-vitro CNc1ccc(C)cc1[N+](=O)[O-] 4823072 PQRIBMJCGDIAFK-UHFFFAOYSA-N 166.180 1.945 5 50 ADBA in-vitro O=[N+]([O-])c1cc(CO)cc(F)c1F 257974803 DCQWLFLBPKQLCE-UHFFFAOYSA-N 189.117 1.365 5 50 ADBA Cc1c(N)cc(N)cc1[N+](=O)[O-] 1688891 DFZSBQYOXAUYCB-UHFFFAOYSA-N 167.168 1.068 5 50 ADBA in-man CCn1cc([N+](=O)[O-])c(C)n1 2537040 TYUHNNYPMAKLIQ-UHFFFAOYSA-N 155.157 1.120 5 50 ADBA COC(=O)c1cc(C)c([N+](=O)[O-])cn1 95629972 JOCVMGPJNBRFGT-UHFFFAOYSA-N 196.162 1.085 5 50 ADBA in-vitro C[N@@+]12CCCC[C@H]1[C@H](CCO)CCC2 1848442095 GCMCDBVXBVNWAL-AVGNSLFASA-N 198.330 1.778 5 50 ADBA Nc1cc([N+](=O)[O-])ccc1F 164646 KJVBJICWGQIMOZ-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2[nH]ncc2c1 156104 WSGURAYTCUVDQL-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vivo COc1nccc(Cl)c1[N+](=O)[O-] 114831196 GOLWANFUIKQDLY-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro COC(=O)c1c(C)cccc1[N+](=O)[O-] 32202911 XPVBLOOMFDNJTH-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA O=[N+]([O-])c1ccc(F)c2nonc12 2166976 PGZIDERTDJHJFY-UHFFFAOYSA-N 183.098 1.270 5 50 ADBA in-vitro COC(=O)[C@@H](C)CC[C@H](C)[N+](=O)[O-] 45068396 DNEMFPDMBPNXRI-BQBZGAKWSA-N 189.211 1.241 5 50 ADBA Cn1ncc(C(F)F)c1[N+](=O)[O-] 1690140480 UALFWGSKUCFITP-UHFFFAOYSA-N 177.110 1.266 5 50 ADBA CNc1ccc([N+](=O)[O-])c(OC)c1 14007526 AENGNOMTDAOEGY-UHFFFAOYSA-N 182.179 1.645 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1CNC1CC1 19398977 YEKQXQGNWNIMBG-UHFFFAOYSA-N 192.218 1.847 5 50 ADBA in-vitro O=[N+]([O-])c1cnc(Cl)s1 32500065 USOMXSLAPRWFCV-UHFFFAOYSA-N 164.573 1.705 5 50 ADBA in-vitro Cc1nc(C=O)ccc1[N+](=O)[O-] 19872609 NKZIEDOFORWCFI-UHFFFAOYSA-N 166.136 1.111 5 50 ADBA O=[N+]([O-])c1cccc(-c2ccn[nH]2)c1 18217767 RUWXJVIBNZSEQD-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vitro O=[N+]([O-])C/C=C/c1ccco1 263619774 XSVZLJPWFCKZTO-HNQUOIGGSA-N 153.137 1.570 5 50 ADBA O=[N+]([O-])c1cnc2c(F)cccn12 1775955605 KCVGZSBCJVYYGY-UHFFFAOYSA-N 181.126 1.382 5 50 ADBA COc1n[nH]c2ccc([N+](=O)[O-])cc12 72226528 VKCOORWHKSNLDO-UHFFFAOYSA-N 193.162 1.480 5 50 ADBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1F 135639731 ABJNSVIERCQTTE-UHFFFAOYSA-N 186.098 1.642 5 50 ADBA O=Cc1cccc([N+](=O)[O-])c1 163576 ZETIVVHRRQLWFW-UHFFFAOYSA-N 151.121 1.407 5 50 ADBA in-vitro O=Cc1c[nH]c2cc([N+](=O)[O-])ccc12 257794 KYFZSGBVGJNEPN-UHFFFAOYSA-N 190.158 1.889 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2ccc(Cl)nn12 22115869 IJEZMDPWGDWYKJ-UHFFFAOYSA-N 198.569 1.291 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2cnoc2c1 26567330 WIYPTBLUSSLGIV-UHFFFAOYSA-N 164.120 1.736 5 50 ADBA O=C(O)CNc1cccc([N+](=O)[O-])c1 1564844 YWWRLAPJIGCYRN-UHFFFAOYSA-N 196.162 1.091 5 50 ADBA O=[N+]([O-])c1cccc2ncnc(O)c12 42684245 AGOKBMXSQJZEKF-UHFFFAOYSA-N 191.146 1.244 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1C(C)=O 48512615 RKSKSDPCWVAZKN-UHFFFAOYSA-N 195.174 1.806 5 50 ADBA in-vitro CC(=O)NCc1ccc([N+](=O)[O-])cc1 1753294 ZMQPYUAJBGXGCB-UHFFFAOYSA-N 194.190 1.231 5 50 ADBA CNCCOc1ccccc1[N+](=O)[O-] 19776824 YWTUCZRYMNKHKT-UHFFFAOYSA-N 196.206 1.193 5 50 ADBA in-vitro CC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 63023035 BMCKPBAHCMQWPA-UHFFFAOYSA-N 197.165 1.865 5 50 ADBA Cc1nc2c(C)cc([N+](=O)[O-])cn2n1 94992654 ILMVTBWTHIMKBP-UHFFFAOYSA-N 192.178 1.254 5 50 ADBA Cc1cc([N+](=O)[O-])c(Cl)nn1 238552117 HSTSQGLEDPHWDC-UHFFFAOYSA-N 173.559 1.347 5 50 ADBA Nc1cc([N+](=O)[O-])cc(F)c1F 263624236 ONYLPOSIBFCBLV-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA C[C@@H](N)c1cccc([N+](=O)[O-])c1 2539916 AVIBPONLEKDCPQ-ZCFIWIBFSA-N 166.180 1.615 5 50 ADBA in-vitro Cc1cc(F)c(C(N)=O)cc1[N+](=O)[O-] 218431769 WRAOAWCGTNSISL-UHFFFAOYSA-N 198.153 1.141 5 50 ADBA Cc1c([N+](=O)[O-])ccc2[nH]ncc12 1403891 AIFYSIHSUXTSGT-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(OC[C@H]2CO2)c1 1555597 CNJLXLVVZBTEOC-VIFPVBQESA-N 195.174 1.372 5 50 ADBA in-vitro Nc1ccc([N+](=O)[O-])cc1F 4348113 LETNCFZQCNCACQ-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro Cc1cccc([N+](=O)[O-])n1 13281516 DEEYZLKYZZUQPC-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA CN1CCCc2ccc([N+](=O)[O-])cc21 22011241 UIQYGCGBKBKFJY-UHFFFAOYSA-N 192.218 1.977 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CCNC2 26897740 OUZGPBWVRKFMLS-UHFFFAOYSA-N 178.191 1.241 5 50 ADBA in-vitro CC(=O)c1ncccc1[N+](=O)[O-] 39071987 UOSQCJBQCZOILA-UHFFFAOYSA-N 166.136 1.192 5 50 ADBA CCOc1cc([N+](=O)[O-])ccc1N 5196860 OWRHDQKCCXTFFE-UHFFFAOYSA-N 182.179 1.576 5 50 ADBA O=Cc1cc([N+](=O)[O-])c(O)cc1F 97447140 OKOHNWCMTKVWQB-UHFFFAOYSA-N 185.110 1.252 5 50 ADBA COC(=O)c1ccc([N+](=O)[O-])c(F)c1 8729894 FKMZNQQOPCCUTD-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro Cc1ccc(N)cc1[N+](=O)[O-] 157566 GDIIPKWHAQGCJF-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro Cc1sc(C(=O)O)cc1[N+](=O)[O-] 2566472 HUDBBNDAVUUGEF-UHFFFAOYSA-N 187.176 1.663 5 50 ADBA in-vitro CSc1ccc([N+](=O)[O-])cn1 5798534 SUATXLIQPPUGPW-UHFFFAOYSA-N 170.193 1.712 5 50 ADBA O=C1OCc2ccc([N+](=O)[O-])cc21 161476 RNWGZXAHUPFXLL-UHFFFAOYSA-N 179.131 1.265 5 50 ADBA Nc1ccc([N+](=O)[O-])c(Cl)c1 4578814 LDSIOPGMLLPSSR-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro Nc1cnc2cccc([N+](=O)[O-])c2c1 84308524 SRERDBOBCFEVHH-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA Cc1ccc([N+](=O)[O-])c(C)n1 331012 AETHUDGJSSKZKT-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(O)c1 1576887 RTZZCYNQPHTPPL-UHFFFAOYSA-N 139.110 1.300 5 50 ADBA in-vitro COCCNc1ncccc1[N+](=O)[O-] 20320752 GMNGFFZTDVVXHM-UHFFFAOYSA-N 197.194 1.048 5 50 ADBA in-vitro CCOC(=O)c1cccc([N+](=O)[O-])c1 153287 MKBIJCPQTPFQKQ-UHFFFAOYSA-N 195.174 1.772 5 50 ADBA O=C(O)c1ccc([N+](=O)[O-])cc1 1688307 OTLNPYWUJOZPPA-UHFFFAOYSA-N 167.120 1.293 5 50 ADBA in-vitro CCN(CC)c1ccc([N+](=O)[O-])cn1 19943831 IEVOYBLZTDQXSO-UHFFFAOYSA-N 195.222 1.836 5 50 ADBA O=[N+]([O-])c1cc(Cl)cc(CO)c1 64033664 LKBQUSJJIYIBDP-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro O=C1Cc2ccc([N+](=O)[O-])cc2N1 66338878 WYCVARGVMCGNMC-UHFFFAOYSA-N 178.147 1.089 5 50 ADBA in-vitro O=[N+]([O-])c1cnn(C2CC2)c1 67802940 XTOMBOSUZBTHTM-UHFFFAOYSA-N 153.141 1.126 5 50 ADBA C[N@@+]1(c2ccccc2)CCC(=O)N1 239046997 GBNIUGBBABPWSZ-LBPRGKRZSA-O 177.227 1.059 5 50 ADBA O=[N+]([O-])c1ccc2c(c1)CCO2 83256586 TYPKKUFDAHEIOP-UHFFFAOYSA-N 165.148 1.530 5 50 ADBA O=[N+]([O-])c1ccc(CO)cc1F 2243159 FEMLPDPJKINFGA-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(NC2CC2)nc1 20020153 MVTPBGCAEZTYHI-UHFFFAOYSA-N 179.179 1.564 5 50 ADBA in-vitro CCc1cc(C=O)c(O)c([N+](=O)[O-])c1 63926349 YQXWEYNZOOZURE-UHFFFAOYSA-N 195.174 1.675 5 50 ADBA CCCOc1ncccc1[N+](=O)[O-] 261494059 OUTURKKISSWOQZ-UHFFFAOYSA-N 182.179 1.779 5 50 ADBA C[N@@+]12CCCC[C@H]1[C@H](CO)CCC2 261514598 YAUVTYWHVQNESX-SRVKXCTJSA-N 184.303 1.388 5 50 ADBA CC(=O)c1cccc([N+](=O)[O-])c1 148003 ARKIFHPFTHVKDT-UHFFFAOYSA-N 165.148 1.797 5 50 ADBA O=Cc1c(C(=O)O)cccc1[N+](=O)[O-] 39082926 XGXMPDKOOQQSDX-UHFFFAOYSA-N 195.130 1.106 5 50 ADBA O=[N+]([O-])c1ccc(CCCCO)cc1 2567963 MFYJBAQONVFIFC-UHFFFAOYSA-N 195.218 1.910 5 50 ADBA Cc1c2cc([N+](=O)[O-])ccc2nn1C 91302183 QHLFEOXDVSNQHC-UHFFFAOYSA-N 191.190 1.790 5 50 ADBA O=[N+]([O-])c1cccc(CO)c1F 21982577 OWEPNYHVJVFJRO-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro CCCOc1ccc(N)c([N+](=O)[O-])c1 5193804 VUMCVANUWQZNGD-UHFFFAOYSA-N 196.206 1.966 5 50 ADBA O=[N+]([O-])C1([N+](=O)[O-])CCCCC1 19320230 OWJVEZJJRYZWNI-UHFFFAOYSA-N 174.156 1.200 5 50 ADBA CCn1ncc2cc([N+](=O)[O-])ccc21 90459771 OMCQGSFMKUKHLW-UHFFFAOYSA-N 191.190 1.964 5 50 ADBA COc1cccc(CC[N+](=O)[O-])c1O 196252980 GOPPXSLDMCTJNS-UHFFFAOYSA-N 197.190 1.220 5 50 ADBA O=C1Cc2cc([N+](=O)[O-])ccc2N1 4368908 JQCGHRDKVZPCRO-UHFFFAOYSA-N 178.147 1.089 5 50 ADBA in-vitro CCOc1ccc([N+](=O)[O-])c(C)n1 115831475 JNZWZIHXRYOWGB-UHFFFAOYSA-N 182.179 1.697 5 50 ADBA NCc1c(F)cc(F)cc1[N+](=O)[O-] 263624078 NFISQBZUNIKKSL-UHFFFAOYSA-N 188.133 1.332 5 50 ADBA O=[N+]([O-])[C@@H]1C[C@@H]1c1ccccc1 39245694 XRNLPUUQLOMTGY-RKDXNWHRSA-N 163.176 1.819 5 50 ADBA N[C@H]1CCc2ccc([N+](=O)[O-])cc2C1 35570402 MLQQVSKLPBROCW-VIFPVBQESA-N 192.218 1.411 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-n2cccn2)cc1 4253771 PNWPAZGIVRZAER-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro Nc1cc(F)c(Cl)cc1[N+](=O)[O-] 38916616 IVUBVUIBVDTNAT-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro CC(C)c1nc[nH]c1[N+](=O)[O-] 263624996 VWNPXPWVFGVTKF-UHFFFAOYSA-N 155.157 1.441 5 50 ADBA CCn1cc2cc([N+](=O)[O-])ccc2n1 38283389 USHQCKGUIXULLT-UHFFFAOYSA-N 191.190 1.964 5 50 ADBA COc1ccc(N)cc1[N+](=O)[O-] 336745 RUFOHZDEBFYQSV-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cnc1Cl 157715 OSIOIGXJUZTWRI-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1NC(=N)N 2513613 LAZBONZCMJREIQ-UHFFFAOYSA-N 194.194 1.209 5 50 ADBA in-vitro Cc1cc(F)c([N+](=O)[O-])cc1O 34499488 RSHVJZUBABFJRL-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA in-vitro O=Cc1cc(F)cc([N+](=O)[O-])c1F 95930279 WGHZJFNNDXXIGU-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA O=[N+]([O-])c1cccc(CO)c1Cl 34476093 MOCPJIDJALBRIX-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA COC(=O)c1cc(C)cc([N+](=O)[O-])c1 35333505 YNBMIFXZVJTHAS-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1N 4772924 RQEMAPKTZLEYNM-UHFFFAOYSA-N 197.150 1.394 5 50 ADBA O=[N+]([O-])c1c(F)nc2ccccn12 45027529 OKXWANRKZBXOSX-UHFFFAOYSA-N 181.126 1.382 5 50 ADBA CC[N+]1(C)CCCCC1 1559720 WACRAFUNNYGNEQ-UHFFFAOYSA-N 128.239 1.637 5 50 ADBA O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-] 4255671 IRIUWJQQUVBRLV-UHFFFAOYSA-N 186.098 1.642 5 50 ADBA in-vitro CC(C)(C)[N+]1(C)CCOCC1 5284189 DVHCVQKVGCHJSO-UHFFFAOYSA-N 158.265 1.262 5 50 ADBA O=[N+]([O-])c1cccc2c1CCNC2 16082960 YJNKVSVKLAVIMU-UHFFFAOYSA-N 178.191 1.241 5 50 ADBA in-vitro CN1C(=O)Cc2cc([N+](=O)[O-])ccc21 4091628 QQYDOWGHCYCEQF-UHFFFAOYSA-N 192.174 1.114 5 50 ADBA in-vitro Cc1cc(N)cc([N+](=O)[O-])c1C 14986287 LRWWBVBRBWPHBA-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro O=[N+]([O-])c1ccn2ccnc2c1 88189767 XHIHNKPBMQNFSW-UHFFFAOYSA-N 163.136 1.243 5 50 ADBA COc1ccc(CC[N+](C)(C)C)cc1 394489 NHOVBJTUKSSPGY-UHFFFAOYSA-N 194.298 1.944 5 50 ADBA COc1cc(C)ccc1[N+](=O)[O-] 1713725 XCOUVPWGTSKINY-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA Nc1c(F)c(F)cc(F)c1[N+](=O)[O-] 4416631 BQQVOARSGADABE-UHFFFAOYSA-N 192.096 1.594 5 50 ADBA O=[N+]([O-])c1nc(-c2ccccc2)n[nH]1 5667946 JIQXYZDYMPQCBG-UHFFFAOYSA-N 190.162 1.380 5 50 ADBA COC(=O)[C@@H](C)CC[C@@H](C)[N+](=O)[O-] 45068389 DNEMFPDMBPNXRI-NKWVEPMBSA-N 189.211 1.241 5 50 ADBA Nc1ccc([N+](=O)[O-])c(F)c1 5701094 KKQPNAPYVIIXFB-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro COC(OC)c1ccccc1[N+](=O)[O-] 5997638 OAPZTGKQZKPVPF-UHFFFAOYSA-N 197.190 1.886 5 50 ADBA O=[N+]([O-])c1cnc(-n2cccc2)s1 91037 FBBKAZWKRCHADI-UHFFFAOYSA-N 195.203 1.842 5 50 ADBA O=[N+]([O-])c1cnc2[nH]cnc2c1Cl 238563019 VMLHAIMBBCKLIF-UHFFFAOYSA-N 198.569 1.520 5 50 ADBA CCn1nc([N+](=O)[O-])cc1C 2538891 RGIIPEUVPVNVHB-UHFFFAOYSA-N 155.157 1.120 5 50 ADBA in-vitro Cc1cc(F)cc(C(N)=O)c1[N+](=O)[O-] 307347780 QUFLYDXFGDRUPV-UHFFFAOYSA-N 198.153 1.141 5 50 ADBA COc1cccc(C)c1[N+](=O)[O-] 1666557 MGBRGNWARSQECY-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro C[N+](C)(C)c1ccc(F)c([N+](=O)[O-])c1 1725108 WCXDBPJBEOUTRA-UHFFFAOYSA-N 199.205 1.931 5 50 ADBA COc1ccc(C)c([N+](=O)[O-])c1 2567949 JBORNNNGTJSTLC-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(O)c1 34859009 NQXUSSVLFOBRSE-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA COc1nccc([N+](=O)[O-])c1Cl 261493966 MUPXCASLDHKDMW-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA O=C(O)c1csc([N+](=O)[O-])c1 1024446 VNJUNWUOAKEIKG-UHFFFAOYSA-N 173.149 1.355 5 50 ADBA in-vitro Nc1cc(Cl)c([N+](=O)[O-])cn1 14982029 LHFAJLRJEULFIT-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro CC(=O)c1cc([N+](=O)[O-])ccc1N 39947673 WYSBWHYLQMVOOL-UHFFFAOYSA-N 180.163 1.380 5 50 ADBA in-vitro O=[N+]([O-])[C@H]1C[C@H]2C=C[C@H]1C2 100326138 DXTVIYLGTPEMKI-ACZMJKKPSA-N 139.154 1.228 5 50 ADBA in-vitro COc1cccc(/C=C/[N+](=O)[O-])c1 101870 IJBGIPFDIABTKB-AATRIKPKSA-N 179.175 1.943 5 50 ADBA in-vitro O=[N+]([O-])C1CCCC1 5413249 CJSZWOGCKKDSJG-UHFFFAOYSA-N 115.132 1.206 5 50 ADBA in-vitro CC(C)Cn1cc([N+](=O)[O-])cn1 67800386 BFSLMECOJXKWQR-UHFFFAOYSA-N 169.184 1.447 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1 1700067 ZPTVNYMJQHSSEA-UHFFFAOYSA-N 137.138 1.903 5 50 ADBA in-vitro O=[N+]([O-])c1cc(Cl)ccn1 2599006 YPKBJRKFGYVURL-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro O=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 4257197 OYLJUJGLDPDXHP-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro COc1nccc(C)c1[N+](=O)[O-] 8698246 BGHDKUHZYJCOQG-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro CCNCc1ccc([N+](=O)[O-])cc1 8227291 CRBKFFVPLITHLR-UHFFFAOYSA-N 180.207 1.704 5 50 ADBA in-vitro CNC(=O)c1ccc([N+](=O)[O-])c(F)c1 54415760 NWCCVNYDXFXGOD-UHFFFAOYSA-N 198.153 1.094 5 50 ADBA Cc1n[nH]c2ncc([N+](=O)[O-])cc12 71261640 VHUAFDKORZHXOD-UHFFFAOYSA-N 178.151 1.175 5 50 ADBA in-vitro Nc1nc(NC2CC2)ccc1[N+](=O)[O-] 86830304 ULZBBNBTDFLRSO-UHFFFAOYSA-N 194.194 1.146 5 50 ADBA CCC(=O)c1cc([N+](=O)[O-])ccc1N 5010530 SLBZLHXBGDQMBQ-UHFFFAOYSA-N 194.190 1.770 5 50 ADBA O=[N+]([O-])Cc1nc2ccccc2[nH]1 100177888 OKRTYRDMIKNFFI-UHFFFAOYSA-N 177.163 1.340 5 50 ADBA CC(=O)Cc1cccc([N+](=O)[O-])c1 2518683 TYFVYHHUWTVZTM-UHFFFAOYSA-N 179.175 1.726 5 50 ADBA Cc1cc(F)c(C=O)cc1[N+](=O)[O-] 169725190 FRDWVXUIJCCEQG-UHFFFAOYSA-N 183.138 1.855 5 50 ADBA Cc1cc(C(=O)O)cc([N+](=O)[O-])c1F 63056389 MMZHXWQVBIZYBV-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA CN(C)c1ccccc1[N+](=O)[O-] 6129940 NPZDNLCYFLDJFA-UHFFFAOYSA-N 166.180 1.661 5 50 ADBA in-vitro Nc1c(F)cc(F)c(F)c1[N+](=O)[O-] 15440474 BREZOWVYIRTYKC-UHFFFAOYSA-N 192.096 1.594 5 50 ADBA O=[N+]([O-])c1ccc2ocnc2c1 1395451 MNEOLRFGVQZMLA-UHFFFAOYSA-N 164.120 1.736 5 50 ADBA in-vitro Cn1cnc2ccc([N+](=O)[O-])cc21 1718703 HVZQEZDKCBTTTL-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA Cc1ccnc(F)c1[N+](=O)[O-] 2526730 AUHFWLUBEJKXLN-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro CC1(C)CC([N+](=O)[O-])CC(C)(C)N1 4947718 XZYLYKIOWIAQFL-UHFFFAOYSA-N 186.255 1.572 5 50 ADBA CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 102029 QGWGRJLQNCNLLM-UHFFFAOYSA-N 194.190 1.263 5 50 ADBA C[C@H](O)c1cccc([N+](=O)[O-])c1 1706203 FRPQAVXDUWMFCK-LURJTMIESA-N 167.164 1.648 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-c2ncc[nH]2)cc1 36379551 GJKIAPNNPWBCOF-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1C 161630 HQCZLEAGIOIIMC-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 1399376 RBSRRICSXWXMRC-ZCFIWIBFSA-N 195.174 1.783 5 50 ADBA CNc1ncnc(Cl)c1[N+](=O)[O-] 4286840 HJCNZFOBWVEBNC-UHFFFAOYSA-N 188.574 1.080 5 50 ADBA in-vitro C=CC(=O)Nc1ccc([N+](=O)[O-])cc1 5192746 DFKKBOJXPCXEGX-UHFFFAOYSA-N 192.174 1.719 5 50 ADBA O=[N+]([O-])c1ccc(-n2ccnc2)nc1 22637894 KHKBELKMRGNELL-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA in-vitro CC(=O)c1ccc([N+](=O)[O-])s1 85317 CMXUIQITENCDHH-UHFFFAOYSA-N 171.177 1.859 5 50 ADBA in-vitro O=[N+]([O-])c1ccco1 1689931 FUBFWTUFPGFHOJ-UHFFFAOYSA-N 113.072 1.188 5 50 ADBA in-vitro C[N@+]([O-])(CCO)Cc1ccccc1 247951941 MJQPYETZBGKFSD-NSHDSACASA-N 181.235 1.123 5 50 ADBA O=[N+]([O-])c1cccc(Cl)c1O 1646566 ICCYFVWQNFMENX-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2008675 IEEJAAUSLQCGJH-UHFFFAOYSA-N 197.150 1.394 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)nc1 1628309 XOZAJNLUAODXSP-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro O=C(O)COc1cccc([N+](=O)[O-])c1 1733069 BNRRQAASFDGMMQ-UHFFFAOYSA-N 197.146 1.058 5 50 ADBA in-vitro CCCOc1ccc([N+](=O)[O-])cn1 137793173 OYWUTOSWVVDUJU-UHFFFAOYSA-N 182.179 1.779 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(NN)c1 39133552 ZFSWIJVMQFUDEG-UHFFFAOYSA-N 167.168 1.189 5 50 ADBA in-vitro CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1595334 KLHCAOSRFFAKQV-UHFFFAOYSA-N 198.153 1.692 5 50 ADBA O=[N+]([O-])/C=C/c1ccccc1 1700197 PIAOLBVUVDXHHL-VOTSOKGWSA-N 149.149 1.934 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 36381082 MUBJXSCTPOBLCX-UHFFFAOYSA-N 198.134 1.512 5 50 ADBA in-vitro CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 4115693 YEYQXUWULBDKHV-UHFFFAOYSA-N 197.150 1.545 5 50 ADBA Cc1ccnc(C)c1[N+](=O)[O-] 16125318 MOQKFCFVTVIJJS-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA in-vitro COC(=O)c1cc(O)ccc1[N+](=O)[O-] 35571811 VYLLCOXNYMTKMD-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro C[C@H](N)c1cccc([N+](=O)[O-])c1 2541527 AVIBPONLEKDCPQ-LURJTMIESA-N 166.180 1.615 5 50 ADBA in-vitro CCC(=O)CC[C@H](C)[N+](=O)[O-] 95496173 ZYKAXLRSLQVORW-LURJTMIESA-N 159.185 1.411 5 50 ADBA COc1c(N)ccc([N+](=O)[O-])c1F 575442719 NBTHWDFBBGFYKF-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA COc1ccc(C)nc1[N+](=O)[O-] 83219 YEEJSIYKPVLUKN-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro Cc1ccc(C(=O)O)c([N+](=O)[O-])c1N 5337268 JLWAVVAJFWDXEF-UHFFFAOYSA-N 196.162 1.184 5 50 ADBA C[N+](C)(C)c1ccccc1 967228 ZNEOHLHCKGUAEB-UHFFFAOYSA-N 136.218 1.883 5 50 ADBA in-vitro O=[N+]([O-])c1cnc(Cl)nc1 1607263 OFCBNMYNAHUDGE-UHFFFAOYSA-N 159.532 1.038 5 50 ADBA in-vitro Cc1c(N)ccc([N+](=O)[O-])c1C 4100713 XXIWYZBTCKMAMY-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro CCOC(=O)c1ccccc1[N+](=O)[O-] 157345 CPNMAYYYYSWTIV-UHFFFAOYSA-N 195.174 1.772 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(CO)c1 157457 CWNPOQFCIIFQDM-UHFFFAOYSA-N 153.137 1.087 5 50 ADBA in-vitro CC[C@@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-] 3070205 IXKCCSQYPRNQNI-SSDOTTSWSA-N 190.199 1.487 5 50 ADBA COc1ccc([N+](=O)[O-])cc1N 162403 NIPDVSLAMPAWTP-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro Cc1ccnc([N+](=O)[O-])c1O 95093511 COIBQJMOZNXKIB-UHFFFAOYSA-N 154.125 1.004 5 50 ADBA in-vitro C[C@H]1C[C@@H](C)C[N+](C)(C)C1 142680081 HGACHMQVWWZPCX-DTORHVGOSA-N 142.266 1.739 5 50 ADBA CC(=O)Nc1cc([N+](=O)[O-])ccc1C 66986 YMHUULKGTGEHHQ-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(C)c1 153316 IEFONJKJLZFGKQ-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro O=C(O)c1cc([N+](=O)[O-])cs1 1701154 SZHKHACZQDMGGI-UHFFFAOYSA-N 173.149 1.355 5 50 ADBA Nc1cc([N+](=O)[O-])ccc1NC1CC1 48018512 PHCMNECVJVGQIF-UHFFFAOYSA-N 193.206 1.751 5 50 ADBA COC(=O)c1cc([N+](=O)[O-])cnc1C 32776479 XLENGXHHGQWCMW-UHFFFAOYSA-N 196.162 1.085 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(OCCF)cc1 34450126 VWYVXJCCZJOMEM-UHFFFAOYSA-N 185.154 1.943 5 50 ADBA in-vitro CCOc1ncc([N+](=O)[O-])cc1C 149640602 KPNCICPPUAUBOY-UHFFFAOYSA-N 182.179 1.697 5 50 ADBA O=[N+]([O-])c1ccc(O)cc1O 96017931 CYEZXDVLBGFROE-UHFFFAOYSA-N 155.109 1.006 5 50 ADBA endogenous,in-man Cc1cc([N+](=O)[O-])c(N)cc1F 125104795 IIUQXQQDJLQLCC-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro NC(=S)Cc1ccc([N+](=O)[O-])cc1 159774 NTDKSXYIORROEJ-UHFFFAOYSA-N 196.231 1.423 5 50 ADBA in-vitro COc1cc(F)c(F)c([N+](=O)[O-])c1 263624709 SUDPHYGYNIKBRB-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA COc1cc(OC)c(C)c([N+](=O)[O-])c1 14986325 GNWAEXWMLARGIG-UHFFFAOYSA-N 197.190 1.920 5 50 ADBA in-vitro COC(=O)c1cc([N+](=O)[O-])cs1 15021493 ABWPLDHHOYVTPB-UHFFFAOYSA-N 187.176 1.443 5 50 ADBA Cc1cccc(CC(=O)O)c1[N+](=O)[O-] 71789867 MFWFLUXZQHVVHO-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro COc1ncc([N+](=O)[O-])cc1Cl 71864037 NYAXJWLJSVLTIX-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA O=Cc1cc([N+](=O)[O-])cs1 334076 YVNHJYYUGAEESI-UHFFFAOYSA-N 157.150 1.469 5 50 ADBA O=C1Cc2cccc([N+](=O)[O-])c2N1 21301600 VGANBSWHOYEFKJ-UHFFFAOYSA-N 178.147 1.089 5 50 ADBA in-vitro CC(C)(Cl)[N+](=O)[O-] 1666915 JQYFSFNSNVRUPY-UHFFFAOYSA-N 123.539 1.238 5 50 ADBA C[N+]1(C)CCCCC1 1504039 NNCAWEWCFVZOGF-UHFFFAOYSA-N 114.212 1.247 5 50 ADBA in-vitro CSc1ncc([N+](=O)[O-])cn1 1562217 APNBIRVIHOWZRZ-UHFFFAOYSA-N 171.181 1.107 5 50 ADBA Cc1ccc([N+](=O)[O-])c(N)c1 4520851 IGDYNWKWXUCIJB-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA COC(=O)c1ccc([N+](=O)[O-])cc1C 20357979 JJHCLPDHYBSSHC-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(O)c1 34925598 NRTULWPODYLFOJ-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)c(Cl)c1 12358970 BOFRXDMCQRTGII-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro CC(C)(C)n1cc([N+](=O)[O-])cn1 44154478 FPKZTRHYFSEGRN-UHFFFAOYSA-N 169.184 1.546 5 50 ADBA O=[N+]([O-])c1ccnc(Cl)c1O 45672794 UWEVMHYTZHHEJG-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(CO)c(F)c1 71788955 XYGZVFTWIGGORD-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2[nH]cnc12 85294 NEJMFSBXFBFELK-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA COc1ccc([N+](=O)[O-])c(OC)c1 1690955 XXWIYOBCHKCWNT-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA in-vitro Nc1cccc([N+](=O)[O-])c1F 5784424 NGFSHIJLJGVNTO-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro CCNc1cc(O)ccc1[N+](=O)[O-] 95494790 XGHCAGUTKGOOHI-UHFFFAOYSA-N 182.179 1.732 5 50 ADBA O=[N+]([O-])C1CCCCC1 8100868 NJNQUTDUIPVROZ-UHFFFAOYSA-N 129.159 1.596 5 50 ADBA in-vitro C[N@@+]12CCCC[C@@H]1[C@H](CO)CCC2 252441480 YAUVTYWHVQNESX-TUAOUCFPSA-N 184.303 1.388 5 50 ADBA biogenic O=[N+]([O-])c1ccc2c(c1)COC2 44676091 VZIBAMYIHSHADC-UHFFFAOYSA-N 165.148 1.625 5 50 ADBA in-vitro Cc1c([N+](=O)[O-])ccc2[nH]cnc12 34761466 OUNJNOIRCNXHMH-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA CNc1cccc(C(=O)O)c1[N+](=O)[O-] 37594045 HBPWEPWMMRSMIZ-UHFFFAOYSA-N 196.162 1.335 5 50 ADBA in-vitro NCc1ccc(Cl)cc1[N+](=O)[O-] 50442972 RYMNWMZBAABHMY-UHFFFAOYSA-N 186.598 1.707 5 50 ADBA in-vitro C[N+]1(C)C[C@H]2C=CC[C@@H](C=C2)C1 101042970 MRJMAEQYEWVOSZ-QWRGUYRKSA-N 164.272 1.825 5 50 ADBA CCCC[N+](=O)[O-] 1666927 NALZTFARIYUCBY-UHFFFAOYSA-N 103.121 1.063 5 50 ADBA in-vitro Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3860429 LXQOQPGNCGEELI-UHFFFAOYSA-N 183.123 1.085 5 50 ADBA in-vitro CNc1c(F)cccc1[N+](=O)[O-] 83824171 WSXFKUQRBSITJO-UHFFFAOYSA-N 170.143 1.776 5 50 ADBA O=[N+]([O-])c1cccc(F)c1O 1706158 HIGRXCJEFUYRNW-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA Cc1c(F)ccc([N+](=O)[O-])c1N 3884493 CRPZQUGQOPIFPQ-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro O=Cc1ccc([N+](=O)[O-])cc1F 5427607 ZFCMKFOFVGHQNE-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro Nc1ccccc1[N+](=O)[O-] 3860642 DPJCXCZTLWNFOH-UHFFFAOYSA-N 138.126 1.177 5 50 ADBA in-vitro Cc1ccncc1[N+](=O)[O-] 8294978 JLNRJMGYBKMDGI-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro C[N+](C)(C)CCC[N+]1(C)CCCC1 390834874 KTHLNCICLQOLJK-UHFFFAOYSA-N 186.343 1.323 5 50 ADBA Cc1ccc(C=O)cc1[N+](=O)[O-] 2146927 KHWGAWBXQOKXIJ-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro Cc1cc2cn[nH]c2cc1[N+](=O)[O-] 14985795 AZWAXIMNWVYSMP-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro COc1cc(O)c(C=O)cc1[N+](=O)[O-] 966753 PFFADGGGGYOQSM-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro COc1cc(F)ccc1[N+](=O)[O-] 2555194 WLKUSVNHZXUEFO-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro O=c1ccc2c([N+](=O)[O-])cccc2[nH]1 16991501 NRZABPOFVNBWMI-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro O=Cc1ccc(F)c([N+](=O)[O-])c1 164955 ILKWFRCNNILIJW-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro CCNc1ccc([N+](=O)[O-])cc1N 4774237 PNDJSMFFLOHKTJ-UHFFFAOYSA-N 181.195 1.609 5 50 ADBA COc1cc2cn[nH]c2cc1[N+](=O)[O-] 39090475 NGZRHTSGWGCDDC-UHFFFAOYSA-N 193.162 1.480 5 50 ADBA in-vitro O=C(O)/C=C/C1=CCC[C@H]([N+](=O)[O-])C1 45331630 PEYXGOWSKLZBEO-ZJELKQJVSA-N 197.190 1.383 5 50 ADBA Cc1cscc1[N+](=O)[O-] 78318358 XKXBYELYBUIZSM-UHFFFAOYSA-N 143.167 1.965 5 50 ADBA Cc1cc(Cl)ncc1[N+](=O)[O-] 1595322 HWZUMEVIIGNXGM-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro O=C(O)c1ccc([N+](=O)[O-])s1 3884944 UNEPVPOHGXLUIR-UHFFFAOYSA-N 173.149 1.355 5 50 ADBA Cc1cc(C)c(O)c([N+](=O)[O-])c1 19943287 KJRCHILWKQLEBC-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA C[N+]1(C)[C@H]2C=CC[C@H]1CCC2 101042431 KIQMLTDIDXGCMG-UWVGGRQHSA-N 152.261 1.944 5 50 ADBA CC(C)(c1ccncc1)[N+](=O)[O-] 11535880 JWGIWURNZVFPIW-UHFFFAOYSA-N 166.180 1.593 5 50 ADBA Cc1c(O)ccc([N+](=O)[O-])c1C 39603499 DAEZHJNJHQAEPE-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro COc1ccc(C[C@@H](F)[N+](=O)[O-])cc1 306145594 JUIRBSJEFHLVED-VIFPVBQESA-N 199.181 1.810 5 50 ADBA O=[N+]([O-])c1cnc(Cl)c(F)c1 63772316 SHXURKRHCSAERA-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 2599347 MDRSLNMEVGJERF-QMMMGPOBSA-N 178.191 1.021 5 50 ADBA in-vitro CN1C(=O)Cc2ccc([N+](=O)[O-])cc21 498050930 RWDCBOPMGNVVOV-UHFFFAOYSA-N 192.174 1.114 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c(F)c1 152925 RUBQQRMAWLSCCJ-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA O=[N+]([O-])c1cccc(-c2ncc[nH]2)c1 337644 ZPWKGNWCVRBHJB-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vitro CCC[C@@H](CCC(C)=O)[N+](=O)[O-] 2141667 PYDLGEHDOLTNOA-QMMMGPOBSA-N 173.212 1.801 5 50 ADBA CN(C)[C@@H]1CCCC[C@H]1[N+](C)(C)C 1744477 AJCHFTHMJBIOBH-GHMZBOCLSA-N 185.335 1.565 5 50 ADBA Nc1cc(F)c(F)cc1[N+](=O)[O-] 4329304 WDMCABATCGQAKK-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro COc1cc(O)c([N+](=O)[O-])c(OC)c1 71773687 RWJQMPCYEXKXIA-UHFFFAOYSA-N 199.162 1.318 5 50 ADBA Cc1ccc([N+](=O)[O-])c2c1CCN2 95496165 SCFZFJRSCMUKHY-UHFFFAOYSA-N 178.191 1.871 5 50 ADBA O=[N+]([O-])c1cn[nH]c1C(F)(F)F 4243631 FFTRSILXQBIOTB-UHFFFAOYSA-N 181.073 1.337 5 50 ADBA in-vitro COc1c(F)ccc([N+](=O)[O-])c1F 145765145 CWPLDAOSFHZEKL-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA Cc1cc([N+](=O)[O-])ccn1 332953 HWPIDHRDNNZJSY-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(C=O)c1 1621819 BNTDDWPHSMILHQ-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro CC(C)(C)c1n[nH]cc1[N+](=O)[O-] 13545354 ZGZXLSKQZBZQOF-UHFFFAOYSA-N 169.184 1.615 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1CO 169800332 LZRAMXHQFWZODZ-UHFFFAOYSA-N 189.117 1.365 5 50 ADBA C[N+](C)(C)[C@H]1C=CC=CCOC1 16952669 WQICEQJLMSHNLV-JTQLQIEISA-N 168.260 1.204 5 50 ADBA O=[N+]([O-])c1cc(CCO)ccc1F 34427549 MSAVICSPFQKRGG-UHFFFAOYSA-N 185.154 1.269 5 50 ADBA O=[N+]([O-])c1ccc(F)cc1CO 36757677 CWOZQRGVHQIIJL-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro Cc1c(O)cccc1[N+](=O)[O-] 163570 GAKLFAZBKQGUBO-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro Cc1cc([N+](C)(C)C)ccc1N 281861 ZDHUPZUERKRHFK-UHFFFAOYSA-N 165.260 1.774 5 50 ADBA Cc1ccc(NC=O)cc1[N+](=O)[O-] 2164728 KYAAJMLFXXWUHD-UHFFFAOYSA-N 180.163 1.472 5 50 ADBA Nc1n[nH]c2cc([N+](=O)[O-])ccc12 66322758 GUQMGUUEHIUELS-UHFFFAOYSA-N 178.151 1.053 5 50 ADBA O=[N+]([O-])c1ccc(Cl)cc1CO 2567957 ULYZTHQGJXPEFT-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro CN(C)c1ccc([N+](=O)[O-])c(C=O)c1 6351307 MLZVRZSAMSFHHP-UHFFFAOYSA-N 194.190 1.473 5 50 ADBA O=[N+]([O-])c1cccc(O)c1Cl 95616288 QBGLHYQUZJDZOO-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)c2c(c1)CCN2 204796388 HRSVTAASZBEJPK-UHFFFAOYSA-N 182.154 1.702 5 50 ADBA in-vitro COC(=O)c1ncc([N+](=O)[O-])cc1C 210907296 YHWXQOITCHEZKQ-UHFFFAOYSA-N 196.162 1.085 5 50 ADBA Cc1cn2ccc([N+](=O)[O-])cc2n1 585122806 SFUHKEVHNMCRGU-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA CCN(C)c1cc(N)c([N+](=O)[O-])cn1 669383011 QUGCLRJRYIUMME-UHFFFAOYSA-N 196.210 1.028 5 50 ADBA O=C1CCc2ccc([N+](=O)[O-])cc2N1 113962064 IQXSJDQRPGHCFE-UHFFFAOYSA-N 192.174 1.480 5 50 ADBA C[N+](C)(C)c1cccc(C(=O)O)c1 301413 PNXKNGBNZNQGRZ-UHFFFAOYSA-O 180.227 1.582 5 50 ADBA COc1ccc([N+](=O)[O-])c(N)c1 3852477 QEHVRGACCVLLNN-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro C[C@@H](N)c1ccc([N+](=O)[O-])cc1 4072760 RAEVOBPXEHVUFY-ZCFIWIBFSA-N 166.180 1.615 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc2cn[nH]c12 1235098 JOJIHKJWRAFXSC-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(CO)c(Cl)c1 6092158 XHIXVZHYFBOAJT-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro Cc1cc(F)cc([N+](=O)[O-])c1N 12336476 RQJZBCXRJPJGGV-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro CCCNc1ccc([N+](=O)[O-])cn1 19943223 KZWODZHPEMBNTR-UHFFFAOYSA-N 181.195 1.812 5 50 ADBA in-vitro CNc1ccc([N+](=O)[O-])cc1N 4774771 MNIKERWISBANET-UHFFFAOYSA-N 167.168 1.219 5 50 ADBA in-vitro O=Cc1cccc([N+](=O)[O-])c1F 38949425 WLDHPJSICUOHTH-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro C[Si](C)(C)Cn1cc([N+](=O)[O-])cn1 195529951 ZRHHNDRVDFEGHU-UHFFFAOYSA-N 199.286 1.669 5 50 ADBA Cc1ccc(CO)cc1[N+](=O)[O-] 2567950 URCWIFSXDARYLY-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro Nc1ccsc1[N+](=O)[O-] 5662524 GADHYUUHHGADGT-UHFFFAOYSA-N 144.155 1.239 5 50 ADBA C[S@@](=O)c1cccc([N+](=O)[O-])c1 8628074 ARRRUECVLDIJAY-LBPRGKRZSA-N 185.204 1.332 5 50 ADBA C[C@@]12CN3C[C@@](C)(C1)C[N@+](C)(C3)C2 252462870 WYHJWRPQOHEJBY-PJXYFTJBSA-N 181.303 1.136 5 50 ADBA biogenic COCOCc1cccc([N+](=O)[O-])c1 212119836 DPWNGUMIPOBEJU-UHFFFAOYSA-N 197.190 1.715 5 50 ADBA NC(=O)Nc1cccc([N+](=O)[O-])c1 2165136 UUIRARUHMZIJCV-UHFFFAOYSA-N 181.151 1.085 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(C)n1 1621964 GSJQJZOENXJWIP-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)cnc1F 39088847 VGMUUROJPIKOIB-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA COc1c(F)cccc1[N+](=O)[O-] 16159285 RVPBBFKWSJLAPD-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1 34797793 UEMBNLWZFIWQFL-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vitro CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 28222 XYTSBFSNPUGBIH-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2c1CCN2 8699781 VTQFDUKXUFJCAO-UHFFFAOYSA-N 164.164 1.563 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1ccsc1 101093 BKLSHYMRBHFIAN-HNQUOIGGSA-N 155.178 1.996 5 50 ADBA in-vitro COc1cc(F)cc(F)c1[N+](=O)[O-] 36533783 DXEGOHULGVHKCT-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro Nc1c(F)cnc(Cl)c1[N+](=O)[O-] 79058225 MIAHRASZIVBVSA-UHFFFAOYSA-N 191.549 1.365 5 50 ADBA in-vitro Cc1nc(F)ccc1[N+](=O)[O-] 2384002 JVLRFRZVCOWBDY-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])nc1 330898 FISOVIVSROCTBV-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro C[C@H](O)c1ccccc1[N+](=O)[O-] 1679160 DSDBYQDNNWCLHL-LURJTMIESA-N 167.164 1.648 5 50 ADBA in-vitro O=[N+]([O-])c1nc(Br)c[nH]1 26894018 MRIWERSFZMOJRE-UHFFFAOYSA-N 191.972 1.080 5 50 ADBA in-vitro O=[N+]([O-])c1cc[n+]([O-])c2ccccc12 1529664 YHQDZJICGQWFHK-UHFFFAOYSA-N 190.158 1.381 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1N 4255649 NDKWDGCTUOOAPF-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro COc1cc(N)c([N+](=O)[O-])c(F)c1 575726534 CPSXRDNMXIUMQK-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA C[C@H](N)c1ccc([N+](=O)[O-])cc1 4072761 RAEVOBPXEHVUFY-LURJTMIESA-N 166.180 1.615 5 50 ADBA in-vitro Cc1ncc(Cl)cc1[N+](=O)[O-] 59788544 YEJGWUTXWBGOPG-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro Cc1ccc2cn[nH]c2c1[N+](=O)[O-] 13571658 MFJNZLMQVJRCIW-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro COc1cc(Cl)c([N+](=O)[O-])cn1 95628513 CZHWJHZGZXCVIQ-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(C)n1 17111361 ASFJYSZUOGPXRB-UHFFFAOYSA-N 196.162 1.085 5 50 ADBA Nc1cnc2c([N+](=O)[O-])cccc2c1 84308527 FSRWHNLTQBQFHI-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro CC(=O)Nc1cccc([N+](=O)[O-])c1C 5537132 NMYFXIITWKKOKY-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro Nc1nc2ccc([N+](=O)[O-])cc2s1 16051229 GPNAVOJCQIEKQF-UHFFFAOYSA-N 195.203 1.787 5 50 ADBA in-vitro Cc1cccc([N+](=O)[O-])c1CC(=O)O 5218658 WFKNETIJXXWRHO-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA O=[N+]([O-])[C@@H]1C[C@H]2C=C[C@H]1C2 100326135 DXTVIYLGTPEMKI-LYFYHCNISA-N 139.154 1.228 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c2c1CC[C@H]2O 2088617669 JTAIKGLZSDKJRJ-MRVPVSSYSA-N 197.165 1.714 5 50 ADBA COC(=O)/C=C/c1ccc([N+](=O)[O-])o1 2039158 JZRVJMACQGFSRG-HWKANZROSA-N 197.146 1.374 5 50 ADBA O=[N+]([O-])c1cc(F)c2cn[nH]c2c1 14983247 ODZQPOTVNLDEJS-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro CC(=O)c1ccc([N+](=O)[O-])c(O)c1 16321909 LHGMRIVCXMLBNA-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro Cc1ccc(C)c([N+](=O)[O-])c1O 31666762 VIQHHRZADKSPIM-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro CCc1ccc([N+](=O)[O-])cc1N 2166290 MMZWMCKTKJKIMC-UHFFFAOYSA-N 166.180 1.739 5 50 ADBA in-vitro Cc1c(N)cc(F)cc1[N+](=O)[O-] 14985570 XWXBFFACZMFPHH-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro Cc1cc(CC(=O)O)ccc1[N+](=O)[O-] 71250429 NUYOXESWWGUDLP-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(N)c1F 81990519 ZSDGOICOFHCJJL-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro CC(C)(CN1CCCC1)[N+](=O)[O-] 34338729 YBXUADBJRHSXIK-UHFFFAOYSA-N 172.228 1.138 5 50 ADBA CCNCc1c(F)cccc1[N+](=O)[O-] 261493876 LDYLVCYVZYPUJK-UHFFFAOYSA-N 198.197 1.843 5 50 ADBA NNc1cccc(F)c1[N+](=O)[O-] 37418977 RMKXBMWBKJEDJW-UHFFFAOYSA-N 171.131 1.020 5 50 ADBA in-vitro C[N+](C)(C)[C@H]1CCCCCOC1 71785297 OLRSXOQYOOSFNZ-JTQLQIEISA-N 172.292 1.652 5 50 ADBA Cc1ccc(O)c([N+](=O)[O-])c1F 307499118 HAXFSZNBOBZOMH-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA O=[N+]([O-])c1ccc(F)c(CO)c1 2583603 IFIOUOYJVOSTFH-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro Cc1cnc(CO)c(C)c1[N+](=O)[O-] 12360042 KBCDOXSSYLFMHH-UHFFFAOYSA-N 182.179 1.099 5 50 ADBA in-vitro Cc1cc(C(=O)O)c(F)c([N+](=O)[O-])c1 215586718 ZTWREVVXWOIFGQ-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA CC[N+](C)(C)c1cccc(O)c1 1341 VWLHWLSRQJQWRG-UHFFFAOYSA-O 166.244 1.979 5 50 ADBA fda Cc1cc(C(=O)O)cc(C)c1[N+](=O)[O-] 31310 RBAVFNOGEPCOQI-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA in-vitro C[C@@H](O)c1cccc([N+](=O)[O-])c1 2169377 FRPQAVXDUWMFCK-ZCFIWIBFSA-N 167.164 1.648 5 50 ADBA in-vitro Cc1cc(O)c([N+](=O)[O-])cc1C(=O)O 39084407 LIDKLIGKTGJHFK-UHFFFAOYSA-N 197.146 1.307 5 50 ADBA O=[N+]([O-])c1ccc(F)cc1F 164453 RJXOVESYJFXCGI-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1 164538 XMMRNCHTDONGRJ-ZZXKWVIFSA-N 193.158 1.693 5 50 ADBA biogenic,in-vitro CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 4530120 MGVDUDAXURKVCE-UHFFFAOYSA-N 195.178 1.135 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(CO)cc1Cl 34165573 ZJVGZPXKLAORCY-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro CNc1ccc(C(C)=O)cc1[N+](=O)[O-] 39414840 RFMFMDSOEBOCAX-UHFFFAOYSA-N 194.190 1.839 5 50 ADBA in-vitro C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)C 388599 QKAWKVWXRHHPJG-JQWIXIFHSA-N 194.298 1.815 5 50 ADBA CN(c1ncccc1[N+](=O)[O-])C1CC1 263623651 JIKBYDOHHDPVPB-UHFFFAOYSA-N 193.206 1.588 5 50 ADBA Cc1nn2c(c1[N+](=O)[O-])NC[C@H](C)C2 1875391490 CYVHHAKCUVBVDW-YFKPBYRVSA-N 196.210 1.161 5 50 ADBA O=[N+]([O-])/C=C\c1ccc(O)cc1 8617556 CTJKRKMPTRJAIT-WAYWQWQTSA-N 165.148 1.640 5 50 ADBA O=[N+]([O-])c1ccc(-c2nnco2)cc1 50220 FBQDNDLFVIKPRJ-UHFFFAOYSA-N 191.146 1.645 5 50 ADBA in-vitro CC[N+](C)(C)CC 1627226 ZJHQDSMOYNLVLX-UHFFFAOYSA-N 102.201 1.103 5 50 ADBA COc1cc([N+](=O)[O-])c(C)cc1N 4706926 VXUMJWGCPAUKTB-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA CNc1ccc([N+](=O)[O-])cn1 19850966 QCSKSRVVPACJEC-UHFFFAOYSA-N 153.141 1.032 5 50 ADBA O=[N+]([O-])C1(Br)CCC1 196381742 HVPMGMYXQOVLBD-UHFFFAOYSA-N 180.001 1.538 5 50 ADBA O=[N+]([O-])c1ccncc1Cl 2566376 CWLVEHGKYCYAIO-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro COC(=O)c1ccc(C)c([N+](=O)[O-])c1 1651943 YFPBHPCMYFCRKS-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA biogenic,in-vitro O=Cc1cnc(Cl)c([N+](=O)[O-])c1 71788814 HCPSAKMGYHWRSW-UHFFFAOYSA-N 186.554 1.456 5 50 ADBA COc1cc([N+](=O)[O-])ccc1C=O 2583420 LEBUUZXTHMCZQZ-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2oncc2c1 6094227 TWOYWCWKYDYTIP-UHFFFAOYSA-N 164.120 1.736 5 50 ADBA in-vitro COc1cc(CC[N+](=O)[O-])ccc1O 2519218 SRXYTHWJEJQHCP-UHFFFAOYSA-N 197.190 1.220 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1S 2037528 JKIFPWHZEZQCQA-UHFFFAOYSA-N 155.178 1.884 5 50 ADBA O=[N+]([O-])c1c[nH]nc1Br 79006875 XAURTANBYDETIM-UHFFFAOYSA-N 191.972 1.080 5 50 ADBA in-vitro COc1c(N)cc([N+](=O)[O-])cc1F 575727157 MBLXUSZWFUEGSB-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA in-vitro Cc1c(CC(=O)O)cccc1[N+](=O)[O-] 14989260 LWIOFILTAJJDLA-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro COc1cnc(Cl)c([N+](=O)[O-])c1 21981931 AUHIVEPPZZIGNI-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(C=O)c1 36448034 SKQIOXLCRQVPAT-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro O=[N+]([O-])c1cnn([C@@H]2CCCCO2)c1 224873230 YJVPCRYLRDYTCH-QMMMGPOBSA-N 197.194 1.490 5 50 ADBA Nc1ccnc(Cl)c1[N+](=O)[O-] 19851344 PDQAWJXOYURKPI-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA CNc1ccc(C(=O)O)cc1[N+](=O)[O-] 3887891 KSMLIIWEQBYUKA-UHFFFAOYSA-N 196.162 1.335 5 50 ADBA in-vitro COc1cc(N(C)C)ccc1[N+](=O)[O-] 14007500 SJPYRQAJLGWUSP-UHFFFAOYSA-N 196.206 1.669 5 50 ADBA Cc1cc(O)cc(C)c1[N+](=O)[O-] 43732572 MMLPWOHLKRXZJA-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1665962 HOYRZHJJAHRMLL-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])c(O)cc1F 71257210 SYRLVBSEEMWFMS-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA in-vitro COc1cc(C(=O)O)ccc1[N+](=O)[O-] 1683125 PWURRRRGLCVBMX-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro CC(=O)OCc1cccc([N+](=O)[O-])c1 5166232 WNVPZUAAKWXDNS-UHFFFAOYSA-N 195.174 1.658 5 50 ADBA CCn1cnc2ccc([N+](=O)[O-])cc21 5569546 SPYBNKTYLRKYAD-UHFFFAOYSA-N 191.190 1.964 5 50 ADBA COCc1ccc([N+](=O)[O-])o1 1591770 JXUMCVDPMJWGSI-UHFFFAOYSA-N 157.125 1.334 5 50 ADBA in-vitro CN(C)Cc1cccc([N+](=O)[O-])c1 1743169 IGGSKKPPZAJIFN-UHFFFAOYSA-N 180.207 1.656 5 50 ADBA CC(C)c1n[nH]cc1[N+](=O)[O-] 42415200 NQTVWBQUVAWSQD-UHFFFAOYSA-N 155.157 1.441 5 50 ADBA COc1ccc(N)c([N+](=O)[O-])c1 3860592 QFMJFXFXQAFGBO-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)OCCN2 19769972 YKCFDUNYLMTXFC-UHFFFAOYSA-N 180.163 1.399 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-c2ncon2)cc1 166804 KWOHXJCKLMGBFD-UHFFFAOYSA-N 191.146 1.645 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1F 1682934 PWKNBLFSJAVFAB-UHFFFAOYSA-N 141.101 1.734 5 50 ADBA in-vitro Cc1c[nH]c2ncc([N+](=O)[O-])cc12 96372389 IWQDJDICMFEZLB-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-] 1605933 RXUSMLCMOQWNOQ-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA CCCn1cc([N+](=O)[O-])cn1 12396699 NHCUMCWMHCBXRO-UHFFFAOYSA-N 155.157 1.201 5 50 ADBA in-vitro Cc1csc([N+](=O)[O-])c1 39248242 QVMCRMQUFCQCNB-UHFFFAOYSA-N 143.167 1.965 5 50 ADBA CCCc1ccc([N+](=O)[O-])nc1 669378781 NGCDJXFVBCNGGR-UHFFFAOYSA-N 166.180 1.942 5 50 ADBA CC(=O)c1cc([N+](=O)[O-])c(O)cc1F 218229052 XAENEUADCLBGHZ-UHFFFAOYSA-N 199.137 1.642 5 50 ADBA CC[N+](CC)(CC)CC 896981 CBXCPBUEXACCNR-UHFFFAOYSA-N 130.255 1.883 5 50 ADBA investigational CC(=O)COc1ccc([N+](=O)[O-])cc1 1745726 BTPOVNGEGQQHIV-UHFFFAOYSA-N 195.174 1.563 5 50 ADBA Cc1nn(C(C)C)cc1[N+](=O)[O-] 12396652 DNAWRQUADBGXSR-UHFFFAOYSA-N 169.184 1.681 5 50 ADBA in-vitro CNc1c([N+](=O)[O-])ccc(F)c1F 34515938 QTMMIYSDZZPQFA-UHFFFAOYSA-N 188.133 1.915 5 50 ADBA in-vitro Cc1cc(O)cc([N+](=O)[O-])c1 1672511 KDKCEPVMXOUFJD-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro C[N+](C)([O-])Cc1ccccc1 394522 UJZXIGKNPLTUOZ-UHFFFAOYSA-N 151.209 1.761 5 50 ADBA Cc1cc([N+](=O)[O-])c(C)cc1N 4088510 PJAGNJQUIUEGKP-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro Nc1nc(Cl)ccc1[N+](=O)[O-] 18996093 WERABQRUGJIMKQ-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro Cc1nc2n(c1[N+](=O)[O-])CCCC2 45027512 ZAVSPOACOGZCSX-UHFFFAOYSA-N 181.195 1.436 5 50 ADBA O=C(O)c1cccc([N+](=O)[O-])c1F 16158456 WLGUSLGYTNJJFV-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])nc1Cl 85210007 XJSAWHJQCHAIDG-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA O=C(O)c1cc([N+](=O)[O-])ccc1F 1720169 ICXSHFWYCHJILC-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(/C=C/CO)cc1 2003944 LGXXEDSIJZHDBN-OWOJBTEDSA-N 179.175 1.600 5 50 ADBA in-vitro CCOC(=O)c1ccc([N+](=O)[O-])o1 78191 JMNXLAQKIHVFIC-UHFFFAOYSA-N 185.135 1.365 5 50 ADBA biogenic COC(=O)c1ccc([N+](=O)[O-])cc1F 8729895 KJCVCRCYCOWPFY-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro O=Cc1ccsc1[N+](=O)[O-] 39017323 HPEZITSKOFYWSJ-UHFFFAOYSA-N 157.150 1.469 5 50 ADBA COc1c(C)cc([N+](=O)[O-])cc1N 307089357 OIYMYYVSZAGCEH-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA COc1ccc([N+](=O)[O-])cc1F 1706176 XGMVTXUXZUPGGY-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro CNc1ccc(OC)cc1[N+](=O)[O-] 5329205 ZSLKWYWZKYPLHX-UHFFFAOYSA-N 182.179 1.645 5 50 ADBA in-vitro COc1cc(C)c([N+](=O)[O-])cn1 15884416 DJNQRLCFAHKFLZ-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro O=[N+]([O-])c1cc(Cl)c2nccn2c1 307248654 AUVYSHCOUJTHLK-UHFFFAOYSA-N 197.581 1.896 5 50 ADBA C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 1399375 RBSRRICSXWXMRC-LURJTMIESA-N 195.174 1.783 5 50 ADBA Cc1c(C(=O)O)cc(F)cc1[N+](=O)[O-] 62665892 CMZCBPLTJBYJHZ-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA in-vitro O=Cc1cc2c(cc1[N+](=O)[O-])OCO2 119450 NRZWECORTTWSEF-UHFFFAOYSA-N 195.130 1.136 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])c(OC)cc1N 3861430 ZTQGTYFYOODGOQ-UHFFFAOYSA-N 198.178 1.194 5 50 ADBA O=[N+]([O-])c1cc(F)c(O)c(F)c1 12343953 KVVXRISUSPIMLJ-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro COc1cc(N)ccc1[N+](=O)[O-] 3852568 JVUHWSGOORVDML-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro O=C1CCc2ccc([N+](=O)[O-])cc21 1757053 MLRACZPAMDFORH-UHFFFAOYSA-N 177.159 1.724 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])s1 15784486 BHCPVWDLDWXIFJ-UHFFFAOYSA-N 143.167 1.965 5 50 ADBA Nc1ncc2cc3ccccc3nc2n1 12404969 IYGDHZNUZSJLLJ-UHFFFAOYSA-N 196.213 1.760 5 50 ADBA in-vitro COc1cc(C)cc([N+](=O)[O-])c1N 201391817 IARYQAUFSIJPDV-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA O=C1Cc2c(cccc2[N+](=O)[O-])N1 66338881 ZNBQKWDTXBXIID-UHFFFAOYSA-N 178.147 1.089 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)cc(F)c1 1701564 YOMAXLMXNGCFRA-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro COc1cc(N)c([N+](=O)[O-])cc1F 40456619 FRMLKSWJWIKLPO-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA in-vitro C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1 12956128 JVOZJSSFSXFDAU-LURJTMIESA-N 178.191 1.951 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-n2ccnn2)cc1 39401602 ZJBBZUJIVMYQNQ-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA in-vitro COc1ccccc1/C=C/[N+](=O)[O-] 101671 FVKSRNVYJXQCLK-VOTSOKGWSA-N 179.175 1.943 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2ncoc2c1 168375 NNESGHWUVLNAML-UHFFFAOYSA-N 164.120 1.736 5 50 ADBA in-vitro Nc1cc([N+](=O)[O-])c(Cl)cc1F 2524484 WRULFQRXGSSDPQ-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro Cc1c(F)c(N)cc([N+](=O)[O-])c1F 34214759 IYZXBTUPJKIQIL-UHFFFAOYSA-N 188.133 1.764 5 50 ADBA N[C@@H]1CCc2ccc([N+](=O)[O-])cc2C1 35570400 MLQQVSKLPBROCW-SECBINFHSA-N 192.218 1.411 5 50 ADBA in-vitro Cn1cnc2cccc([N+](=O)[O-])c21 39200513 KEABNFLSDJZPEP-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro Nc1ccc([N+](=O)[O-])c(N)c1Cl 71613061 NTLGTOMYCVBTHT-UHFFFAOYSA-N 187.586 1.413 5 50 ADBA in-vitro CC(=O)c1ccc([N+](=O)[O-])cc1 164801 YQYGPGKTNQNXMH-UHFFFAOYSA-N 165.148 1.797 5 50 ADBA in-vitro CC(=O)Nc1cc([N+](=O)[O-])ccc1O 35939894 GFHYFPARONGSCD-UHFFFAOYSA-N 196.162 1.259 5 50 ADBA COc1c([N+](=O)[O-])ccnc1Cl 98177665 LJNLOXQPMZAWIX-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro Cc1ccc(C(=O)O)c([N+](=O)[O-])c1 152844 KZLLSSGOPIGKDO-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA in-vitro Cc1cnccc1[N+](=O)[O-] 332952 UYAWSMUOLFSNGC-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro CC(=O)c1cccc(F)c1[N+](=O)[O-] 95080252 ODSQROMIUYXEMK-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA O=[N+]([O-])c1cc(Cl)nc(Cl)n1 116142672 BQUULAWJCDSWJR-UHFFFAOYSA-N 193.977 1.692 5 50 ADBA Nc1cccc(Cl)c1[N+](=O)[O-] 4253196 YADOEPHJIBKBCN-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 4474243 VWGWKZKGMNQBIK-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro O=Cc1cc(F)cc([N+](=O)[O-])c1 71791099 BNZAUKCPEARMKF-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro COC(=O)c1cccc([N+](=O)[O-])c1F 47202387 VEKYKLDXYNUERO-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro O=[N+]([O-])c1ccnc(F)c1F 212084966 RFCIQHKNMWBTFV-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA CC(=O)Oc1cccc([N+](=O)[O-])c1C 2173108 XNCSIGUBDMDNJZ-UHFFFAOYSA-N 195.174 1.829 5 50 ADBA CC(=O)c1ccc(C)c(N)c1[N+](=O)[O-] 5212448 PXONAVDIAVBUFL-UHFFFAOYSA-N 194.190 1.688 5 50 ADBA O=Cc1n[nH]c2cc([N+](=O)[O-])ccc12 14984575 UYPSMSUYMARCRX-UHFFFAOYSA-N 191.146 1.284 5 50 ADBA in-vitro O=C(O)c1cccc([N+](=O)[O-])c1 156875 AFPHTEQTJZKQAQ-UHFFFAOYSA-N 167.120 1.293 5 50 ADBA in-vitro NC(=S)c1ccc([N+](=O)[O-])cc1 30836485 MDBQPBMIZPCKAJ-UHFFFAOYSA-N 182.204 1.229 5 50 ADBA in-vitro Cc1cc(F)c([N+](=O)[O-])cc1C(=O)O 71790215 IBZJPGGBZMXXCE-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA in-vitro C[C@]1(O)CC[C@H](C[N+](=O)[O-])CC1 306953043 FJUFYDSCYPYBPW-ZKCHVHJHSA-N 173.212 1.204 5 50 ADBA CC[N+](C)(CC)CC[N+](C)(C)C 390834835 GHBUBDHFUCXFGW-UHFFFAOYSA-N 174.332 1.179 5 50 ADBA Cc1cccc([N+](=O)[O-])c1 1700066 QZYHIOPPLUPUJF-UHFFFAOYSA-N 137.138 1.903 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2c1CNCC2 85210545 CMYHFBRLCZRXHE-UHFFFAOYSA-N 178.191 1.241 5 50 ADBA COc1ccc([N+](=O)[O-])cc1O 295034 KXKCTSZYNCDFFG-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro CC[N+](CC)(CC)COCCOC 2527991 PPUSAUHBQQGYQC-UHFFFAOYSA-N 190.307 1.483 5 50 ADBA in-vitro Nc1ccc(Cl)cc1[N+](=O)[O-] 3860834 PBGKNXWGYQPUJK-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro Cc1n[nH]c(N2CCCC2)c1[N+](=O)[O-] 4322542 WLMIXDJYWMHOJU-UHFFFAOYSA-N 196.210 1.227 5 50 ADBA O=[N+]([O-])C=C1CCC1 675062978 VURYGWTVJRAHMA-UHFFFAOYSA-N 113.116 1.331 5 50 ADBA O=[N+]([O-])c1cccc(OC[C@@H]2CO2)c1 3130556 CNJLXLVVZBTEOC-SECBINFHSA-N 195.174 1.372 5 50 ADBA in-vitro C[N+](C)(CCO)Cc1ccccc1 4521203 NEUNOKQNYOCZNP-UHFFFAOYSA-N 180.271 1.255 5 50 ADBA Cc1cnc(NC2CC2)c([N+](=O)[O-])c1 38537016 RYYZDVJHHQGCAS-UHFFFAOYSA-N 193.206 1.873 5 50 ADBA Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1 39248561 MAQGNTACXAOLNE-UHFFFAOYSA-N 197.146 1.307 5 50 ADBA COC(=O)c1c(O)cccc1[N+](=O)[O-] 95932968 VGRACNKLIBCDHG-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA CC(C)c1nc([N+](=O)[O-])c[nH]1 157584 SQZCZXRYOJJCDU-UHFFFAOYSA-N 155.157 1.441 5 50 ADBA in-vitro C[N+]1(C)[C@@]23C=CC[C@]21CCC3 101092688 DIXJAAYIBYDZPX-ZJUUUORDSA-N 150.245 1.698 5 50 ADBA Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 5161708 IPZPZSUDOPUDPM-UHFFFAOYSA-N 183.123 1.085 5 50 ADBA in-vitro C[C@H]1CNc2cc([N+](=O)[O-])ccc2O1 83254227 WTAGNTAYRIAHAZ-LURJTMIESA-N 194.190 1.788 5 50 ADBA O=[N+]([O-])Cc1ccccc1[N+](=O)[O-] 2519753 NEHUISRZCDWUFA-UHFFFAOYSA-N 182.135 1.372 5 50 ADBA COC(=O)Cc1ccccc1[N+](=O)[O-] 2571474 SWMFAAPTSMVULA-UHFFFAOYSA-N 195.174 1.310 5 50 ADBA in-vitro O=[N+]([O-])c1cc2c(cc1F)NCC2 306145582 JDSAQRIJNJOSPY-UHFFFAOYSA-N 182.154 1.702 5 50 ADBA CCNC(=O)c1ccc([N+](=O)[O-])cc1 1599502 RZUZNEBLPIHWAR-UHFFFAOYSA-N 194.190 1.345 5 50 ADBA in-vitro Cn1cnc2cc([N+](=O)[O-])ccc21 1688178 AMIYGFTVNIDCPN-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro O=c1[nH]c2ccc([N+](=O)[O-])cc2o1 18190681 JGYJZHYTADCWIK-UHFFFAOYSA-N 180.119 1.029 5 50 ADBA in-vitro O=[N+]([O-])c1cncc(Cl)c1O 35270277 VEOKYVSPRSTYHS-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1 3876088 UWEZBKLLMKVIPI-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vitro CN(C)c1c(F)cccc1[N+](=O)[O-] 238791143 NUCZBKAYTQRBQB-UHFFFAOYSA-N 184.170 1.800 5 50 ADBA O=c1[nH]cc([N+](=O)[O-])c2ccccc12 8691827 HBIRBNQMLAPWOH-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro C[C@@H]1CNc2ccc([N+](=O)[O-])cc2O1 83254228 XGQMNDZPLBYYTB-ZCFIWIBFSA-N 194.190 1.788 5 50 ADBA O=[N+]([O-])c1ccccc1-c1ccn[nH]1 16125271 LNRBQCSTNUDDGL-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)C[C@@H](O)C2 1435971 VAPGHIYRAUSHOH-VIFPVBQESA-N 179.175 1.054 5 50 ADBA in-vitro Cc1cc(F)cc([N+](=O)[O-])c1O 95670858 YSSPDRCAPPNOIU-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA CCCCn1nccc1[N+](=O)[O-] 261493628 GEBXQFAZHRJQCZ-UHFFFAOYSA-N 169.184 1.591 5 50 ADBA CC(C)(C)[N+](=O)[O-] 1666930 AIMREYQYBFBEGQ-UHFFFAOYSA-N 103.121 1.062 5 50 ADBA O=[N+]([O-])c1cc(Cl)ccc1CO 2166807 OAHGNOHGHOTZQU-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA Cc1ccc([N+](=O)[O-])c(Cl)n1 4284288 UIEVSGOVFXWCIK-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro COc1ccc(O)c([N+](=O)[O-])c1 36072259 YBUGOACXDPDUIR-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(CO)c1 2567961 IKEYTRGLCHZQHO-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA CCC(=O)Cn1cc(C)c([N+](=O)[O-])n1 9694723 BPFVXLQSUDOQAQ-UHFFFAOYSA-N 197.194 1.079 5 50 ADBA Cc1ccc([N+](=O)[O-])c(CC(=O)O)c1 35635545 SKFYNOGBJGWWOB-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2[nH]nc(O)c2c1 14983542 XGSFRTHYHRTUCC-UHFFFAOYSA-N 179.135 1.177 5 50 ADBA in-vitro Nc1c(F)cc([N+](=O)[O-])c(F)c1F 199748009 RQRCFULIICUDSN-UHFFFAOYSA-N 192.096 1.594 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1O 36533629 KZODZOGGCQZLNF-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro COc1cc(C=O)cc([N+](=O)[O-])c1 40448381 XZFQLZGPDRXXHV-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro COc1ccc(Cl)nc1[N+](=O)[O-] 98086054 BSAKOOHPKGWCJR-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA Cc1noc(C)c1[N+](=O)[O-] 2510118 PMQFLWLYAXYFHG-UHFFFAOYSA-N 142.114 1.200 5 50 ADBA in-vitro O=S=Nc1ccc([N+](=O)[O-])cc1 4538699 VFCGVVBHMYTZSL-UHFFFAOYSA-N 184.176 1.623 5 50 ADBA O=C1CCOc2ccc([N+](=O)[O-])cc21 6829264 KUAWMWVXZMQZLD-UHFFFAOYSA-N 193.158 1.560 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1O 39291314 WRXFJKBQZVRPHI-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA O=[N+]([O-])c1cccc2ocnc12 1395452 SLXGGFDKGANNSL-UHFFFAOYSA-N 164.120 1.736 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 3852490 SIJMRGBYPYIMDJ-UHFFFAOYSA-N 198.153 1.692 5 50 ADBA Cc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] 14986266 DXJQKWNJVPTPSK-UHFFFAOYSA-N 188.570 1.190 5 50 ADBA in-vitro CN(C)c1ccc(F)cc1[N+](=O)[O-] 16159699 RGCUVPLVTHHXMT-UHFFFAOYSA-N 184.170 1.800 5 50 ADBA in-vitro Cc1cc(C(=O)O)ccc1[N+](=O)[O-] 164899 XDTTUTIFWDAMIX-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA CC(=O)c1ncc(C)cc1[N+](=O)[O-] 95631118 QMLOSTIUYSOGEK-UHFFFAOYSA-N 180.163 1.501 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc(F)c1N 135242564 ACSUPFMVHUMTGD-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA Cc1cc(C=O)ncc1[N+](=O)[O-] 34320133 OBGLQHSGHQAMLV-UHFFFAOYSA-N 166.136 1.111 5 50 ADBA Cc1cc(O)cc([N+](=O)[O-])c1C 14986280 HKQSKINMCHAPPJ-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(C2=NCCO2)cc1 1685188 MPQNFLWWBYWJGE-UHFFFAOYSA-N 192.174 1.372 5 50 ADBA O=[N+]([O-])c1ccc2c(O)n[nH]c2c1 14983612 BNLMXABHKLAIAG-UHFFFAOYSA-N 179.135 1.177 5 50 ADBA in-vitro COc1cccc(CO)c1[N+](=O)[O-] 38671990 YYIIAPQEOXNDLW-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA in-vitro Cc1ccn2c([N+](=O)[O-])cnc2c1 129444 ZOAYHVZFPBPFJI-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1C=O 2389311 YWVSKFXYEWMHEO-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA O=[N+]([O-])c1ccc(F)nc1F 31176462 GFDZKTFHLUFNPC-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA in-vitro COc1cc(CN)cc([N+](=O)[O-])c1 83137972 TYXYDSDXQMFPCM-UHFFFAOYSA-N 182.179 1.062 5 50 ADBA O=[N+]([O-])c1c(F)ccc(O)c1F 165274677 IACXTMZHFZAVOP-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA Cc1cc2oc(O)nc2cc1[N+](=O)[O-] 1505840682 PUNJBBAFSSZYIC-UHFFFAOYSA-N 194.146 1.750 5 50 ADBA Nc1cc([N+](=O)[O-])c(N)cc1Cl 15022270 VUNAQOGRLGNALG-UHFFFAOYSA-N 187.586 1.413 5 50 ADBA in-vitro Cc1cc(Cl)nc(N)c1[N+](=O)[O-] 82046736 LPKQALYNXQIMFD-UHFFFAOYSA-N 187.586 1.534 5 50 ADBA in-vitro CCCn1cnc([N+](=O)[O-])c1 196711995 YYYLBBHRZVIYQC-UHFFFAOYSA-N 155.157 1.201 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1C(N)=O 4013997 ZNWVCUHOZLVMOC-UHFFFAOYSA-N 180.163 1.002 5 50 ADBA O=[N+]([O-])C1CCCCCC1 4829191 LACLQAUWSKAKQJ-UHFFFAOYSA-N 143.186 1.986 5 50 ADBA Cc1cc(C)c([N+](=O)[O-])cn1 15781252 GMAJNANLBOHCAU-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA in-vitro COC(=O)c1ccnc(C)c1[N+](=O)[O-] 238323141 BLHRFGXBDCDXIT-UHFFFAOYSA-N 196.162 1.085 5 50 ADBA O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2 33976 KFLWBZPSJQPRDD-ONEGZZNKSA-N 193.158 1.663 5 50 ADBA in-vitro CC[C@H](C)[N+](=O)[O-] 2034490 SUGZATOHBPXTDV-BYPYZUCNSA-N 103.121 1.062 5 50 ADBA in-vitro CN(CCO)c1ccc([N+](=O)[O-])cc1 4774766 BWUZCAZXFREZFN-UHFFFAOYSA-N 196.206 1.023 5 50 ADBA in-vitro Nc1ncc(Cl)cc1[N+](=O)[O-] 19015102 GILTXHIJUUIMPI-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro C[N+]1(C)CCCc2cccc(O)c21 409950 GDIVJHJSWQVLKI-UHFFFAOYSA-O 178.255 1.905 5 50 ADBA O=[N+]([O-])c1cnccc1Cl 2583405 JOTRPRKONYTVBV-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro O=[N+]([O-])c1ncc(F)cc1F 142372738 ZNMBOZBJKBSSFZ-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA CN(C)c1ccc(C=O)c([N+](=O)[O-])c1 1583075 DHLFXZQEAWYQLC-UHFFFAOYSA-N 194.190 1.473 5 50 ADBA Nc1cc(Cl)ccc1[N+](=O)[O-] 3852415 ZCWXYZBQDNFULS-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA O=C(O)Cc1cccc([N+](=O)[O-])c1 156946 WUKHOVCMWXMOOA-UHFFFAOYSA-N 181.147 1.222 5 50 ADBA in-vivo O=[N+]([O-])c1cc2c[nH]nc2cc1O 16677963 OIJDAJASYWQSPS-UHFFFAOYSA-N 179.135 1.177 5 50 ADBA in-vitro Nc1nc2cccc([N+](=O)[O-])c2s1 5582627 JMRCAIHFSHXPPH-UHFFFAOYSA-N 195.203 1.787 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2ccc(F)cn12 89201912 WTEGDZZHPUPJCU-UHFFFAOYSA-N 181.126 1.382 5 50 ADBA in-vitro O=[N+]([O-])C1C=Nc2ccccc2N=C1 100170086 SGIGOTZNQITOJU-UHFFFAOYSA-N 189.174 1.750 5 50 ADBA CCOc1ccccc1[N+](=O)[O-] 1686926 XGLGESCVNJSAQY-UHFFFAOYSA-N 167.164 1.994 5 50 ADBA Cc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] 3847023 ZOTROWSASXESEG-UHFFFAOYSA-N 188.570 1.190 5 50 ADBA O=[N+]([O-])c1ccc([C@@H]2O[C@H]2CO)cc1 6093302 TVWSYFXHQPGITR-IUCAKERBSA-N 195.174 1.027 5 50 ADBA COc1cccc(OC)c1[N+](=O)[O-] 161677 MVBXGGHFJZBKFJ-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA in-vitro O=C1OCc2cccc([N+](=O)[O-])c21 382872 BFIGXRQYMBKAIR-UHFFFAOYSA-N 179.131 1.265 5 50 ADBA Cc1cccc([N+](=O)[O-])c1CO 38887455 LIUYFMADDYMHLM-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-] 4073051 DZRZHFOFVWAKGT-UHFFFAOYSA-N 189.152 1.147 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2nc(S)[nH]c2c1 5124323 YPXQSGWOGQPLQO-UHFFFAOYSA-N 195.203 1.760 5 50 ADBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(O)c1 19862382 YXNYMZXPUWOUJT-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 3861215 QFUSCYRJMXLNRB-UHFFFAOYSA-N 183.123 1.085 5 50 ADBA in-vitro NCc1cc(F)cc(F)c1[N+](=O)[O-] 263622841 BIWBDZGRBATTLU-UHFFFAOYSA-N 188.133 1.332 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1NN 88613 ZMHHLAAPJJAADE-UHFFFAOYSA-N 167.168 1.189 5 50 ADBA in-vitro C[C@H](O)c1ccc([N+](=O)[O-])cc1 13546082 CRJFHXYELTYDSG-LURJTMIESA-N 167.164 1.648 5 50 ADBA in-vitro O=[N+]([O-])c1cccn2ccnc12 8730184 FXGFBWQPMINBNG-UHFFFAOYSA-N 163.136 1.243 5 50 ADBA O=[N+]([O-])c1cc[n+]([O-])c2c1CCCC2 90225777 SWSDHCGZLPFBHU-UHFFFAOYSA-N 194.190 1.107 5 50 ADBA in-vitro NCCCOc1ccc([N+](=O)[O-])cc1 1746398 OQDSYPZEHFBRIK-UHFFFAOYSA-N 196.206 1.322 5 50 ADBA O=[N+]([O-])c1ccc(-n2cnnc2)cc1 4774855 ZERNWUNKACPDHD-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA COc1cc([N+](=O)[O-])ccc1F 21299366 AZNKKZHZGDZSIF-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)c(O)cc1F 2525792 WOQWWNJQZLYLMC-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)c2ncccc12 15831592 RJIWZDNTCBHXAL-UHFFFAOYSA-N 190.158 1.849 5 50 ADBA world Cc1cc(C)c([N+](=O)[O-])c(C(=O)O)c1 113207827 HGFCXXRETYVGMH-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA O=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1669669 ZILXIZUBLXVYPI-UHFFFAOYSA-N 196.118 1.316 5 50 ADBA in-vitro CCc1cccc([N+](=O)[O-])c1N 118846220 GZOOCJUOEDETNE-UHFFFAOYSA-N 166.180 1.739 5 50 ADBA [O-][N+]12CC[N+]([O-])(CC1)c1ccccc12 2027325 YFJRCEVULCRSMH-UHFFFAOYSA-N 192.218 1.324 5 50 ADBA Cc1cc([N+](=O)[O-])c(O)cc1N 575728526 RBHXNBBIUOSEHT-UHFFFAOYSA-N 168.152 1.191 5 50 ADBA O=[N+]([O-])c1cccc2c1NCCC2 32007075 SKMXDVKIYCUVMM-UHFFFAOYSA-N 178.191 1.953 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1C 1621823 WVQGZNRUEVFXKR-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro NCCCNc1ccccc1[N+](=O)[O-] 4045568 GVGDDEYVTBKACE-UHFFFAOYSA-N 195.222 1.356 5 50 ADBA in-vivo O=[N+]([O-])c1c(F)cc(CO)cc1F 79017149 MWMXVSGWUYOLQS-UHFFFAOYSA-N 189.117 1.365 5 50 ADBA in-vitro Cc1c(C(=O)O)cccc1[N+](=O)[O-] 2567944 YPQAFWHSMWWPLX-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA O=[N+]([O-])c1ccc(F)c(F)c1O 2584294 KEGOHDCHURMFKX-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA Nc1c([N+](=O)[O-])ccc2ncccc12 3861129 TYBYHEXFKFLRFT-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro Nc1cnc2ccc([N+](=O)[O-])cc2c1 84308522 YBLUOPYUXMSESW-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA Nc1cc([N+](=O)[O-])ccc1Cl 1688375 KWIXNFOTNVKIGM-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA Nc1nc2c([N+](=O)[O-])cccc2s1 17302259 XPYJFCKUPMJFHE-UHFFFAOYSA-N 195.203 1.787 5 50 ADBA COc1cccc(O)c1[N+](=O)[O-] 34617165 URFJTCWCTWGRBB-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro CNCc1ccccc1[N+](=O)[O-] 1577505 WGILVXQNSFDASI-UHFFFAOYSA-N 166.180 1.314 5 50 ADBA in-vitro CNc1cccnc1[N+](=O)[O-] 32224828 NCJOHCIQXAGJBV-UHFFFAOYSA-N 153.141 1.032 5 50 ADBA in-vitro CC(=O)c1ccc([N+](=O)[O-])o1 334121 ORQQKSZUXNAWAX-UHFFFAOYSA-N 155.109 1.390 5 50 ADBA C[N+]12CCC(CC1)C1=C[C@H](O)CC[C@@H]12 403629 YKFILFDJENPVBD-FYLGKEKYSA-N 194.298 1.306 5 50 ADBA O=Cc1cc2cc([N+](=O)[O-])ccc2[nH]1 71773708 GQBZFTRMWRYAMS-UHFFFAOYSA-N 190.158 1.889 5 50 ADBA CNc1cc(F)cc(F)c1[N+](=O)[O-] 98213654 HJKZGKMJUUPEGQ-UHFFFAOYSA-N 188.133 1.915 5 50 ADBA C[N+]12CCC(CC1)C1=C[C@H](O)CC[C@H]12 403630 YKFILFDJENPVBD-JKFXUVRWSA-N 194.298 1.306 5 50 ADBA O=[N+]([O-])c1cc2c(cc1F)OCO2 114597347 BFBIFECVIJIGQK-UHFFFAOYSA-N 185.110 1.463 5 50 ADBA C[N@+]1([O-])CCC[C@H]1c1cccnc1 242649151 RWFBQHICRCUQJJ-JQWIXIFHSA-N 178.235 1.861 5 50 ADBA endogenous,world CNc1cc(OC)ccc1[N+](=O)[O-] 5140965 YRBBCZYRHITZDJ-UHFFFAOYSA-N 182.179 1.645 5 50 ADBA in-vitro CN(C)c1cccc([N+](=O)[O-])c1 1700200 CJDICMLSLYHRPT-UHFFFAOYSA-N 166.180 1.661 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(N2CCCC2)nc1 19645556 URFBPCUSVFCNSQ-UHFFFAOYSA-N 193.206 1.590 5 50 ADBA in-vitro CN1C[C@@H]([N+](C)(C)C)CCCCC1=O 71786978 LUVOOERLFFWHJH-JTQLQIEISA-N 199.318 1.094 5 50 ADBA CN1Cc2ccc([N+](=O)[O-])cc2C1=O 85389461 ZAEFFIFTXQYMPA-UHFFFAOYSA-N 192.174 1.180 5 50 ADBA in-vitro COC(=O)c1ccc([N+](=O)[O-])s1 76213 ROZWUNOYMSUTKS-UHFFFAOYSA-N 187.176 1.443 5 50 ADBA in-vitro CC[N+](C)(CC)CC 1845416 SEACXNRNJAXIBM-UHFFFAOYSA-N 116.228 1.493 5 50 ADBA in-vitro C[C@@H]([C@H](O)c1ccccc1)[N+](=O)[O-] 1733933 JGYVPZIKTZGAAD-CBAPKCEASA-N 181.191 1.385 5 50 ADBA O=[N+]([O-])c1c(F)cc(F)cc1CO 204796262 KZQNMHJNCFINIV-UHFFFAOYSA-N 189.117 1.365 5 50 ADBA COc1c([N+](=O)[O-])ccc(F)c1F 16125679 BCWRUHXLSHZAEA-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro CNc1cc(F)ccc1[N+](=O)[O-] 52119069 HDQNXIOVYVAKBX-UHFFFAOYSA-N 170.143 1.776 5 50 ADBA Nc1nc2cc([N+](=O)[O-])ccc2s1 227029 FISVWAMPAATJLP-UHFFFAOYSA-N 195.203 1.787 5 50 ADBA in-vitro Cn1cc2cccc([N+](=O)[O-])c2n1 1403878 IFVSROJIKNMTNX-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1 1665741 LOTKRQAVGJMPNV-UHFFFAOYSA-N 186.098 1.642 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])nc1OC 38537220 QDBVUQQJSXYDHF-UHFFFAOYSA-N 184.151 1.007 5 50 ADBA in-vitro CC(=O)Oc1c(C)cccc1[N+](=O)[O-] 1562019 RAAYZDPCLHVVNY-UHFFFAOYSA-N 195.174 1.829 5 50 ADBA CC(C)(Br)[N+](=O)[O-] 1758988 OADSZWXMXIWZSQ-UHFFFAOYSA-N 167.990 1.394 5 50 ADBA Nc1n[nH]c2ccc([N+](=O)[O-])cc12 3883874 SWZRTDLKPZAFDT-UHFFFAOYSA-N 178.151 1.053 5 50 ADBA in-vitro Cc1ccc(NCCO)c([N+](=O)[O-])c1 21986906 SCZQUWZLEIYDBD-UHFFFAOYSA-N 196.206 1.307 5 50 ADBA COc1cc(N)c(C)cc1[N+](=O)[O-] 4520852 PEIGETRPPZVBHT-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])cc(C=O)c1O 51530814 HGKHVFKBOHFYSS-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1CO 117951887 BPPXTUUKWURHBO-UHFFFAOYSA-N 189.117 1.365 5 50 ADBA in-vitro COC(=O)Cc1cccc([N+](=O)[O-])c1 32164776 BFGYITRIATVARH-UHFFFAOYSA-N 195.174 1.310 5 50 ADBA in-vitro CCOc1ccncc1[N+](=O)[O-] 156410 ABOSMHRLVUWEMT-UHFFFAOYSA-N 168.152 1.389 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1ccc([N+](=O)[O-])cc1 1608652 HABXLWPUIWFTNM-AATRIKPKSA-N 194.146 1.842 5 50 ADBA in-vitro CC[N+]([O-])(CC)CC 2584523 LFMTUFVYMCDPGY-UHFFFAOYSA-N 117.192 1.361 5 50 ADBA O=[N+]([O-])c1ccc(-n2cccc2)nc1 15937675 KKUKCVWCVBNWBG-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro Cc1cc(C)c([N+](=O)[O-])cc1N 1571073 DUIOVGPUAJSYCD-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro O=Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 1845989 WHFZQNNDIJKLIO-UHFFFAOYSA-N 196.118 1.316 5 50 ADBA Nc1c(F)cc([N+](=O)[O-])cc1Cl 95217812 UHVFEBYNQPWONG-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA O=C(O)Cc1ccc([N+](=O)[O-])cc1 154582 YBADLXQNJCMBKR-UHFFFAOYSA-N 181.147 1.222 5 50 ADBA in-vivo Cc1nc(Cl)ccc1[N+](=O)[O-] 330879 GHSRMSJVYMITDX-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA CNc1ccc2nonc2c1[N+](=O)[O-] 4974085 XWKCLHMIQVWXPI-UHFFFAOYSA-N 194.150 1.173 5 50 ADBA O=[N+]([O-])C(Cl)(Cl)Cl 17263524 LFHISGNCFUNFFM-UHFFFAOYSA-N 164.375 1.591 5 50 ADBA in-vitro C[N+]1(C)[C@H]2C=CC[C@H]1CSC2 101042796 VDNACTADLBXLRJ-IUCAKERBSA-N 170.301 1.507 5 50 ADBA CCOc1cc(N)c(C)cc1[N+](=O)[O-] 238730457 RWRSNDZBLMCCSW-UHFFFAOYSA-N 196.206 1.884 5 50 ADBA CSc1ccc(N)c([N+](=O)[O-])c1 38339184 LWFOZCFJVOGQAM-UHFFFAOYSA-N 184.220 1.899 5 50 ADBA in-vitro CCN(CC)c1ncccc1[N+](=O)[O-] 308543297 ORYHESSEVBCYSP-UHFFFAOYSA-N 195.222 1.836 5 50 ADBA CN(C)c1ccc(C=O)cc1[N+](=O)[O-] 3886038 BMMZDXZYHYBOOQ-UHFFFAOYSA-N 194.190 1.473 5 50 ADBA in-vitro Nc1c(Cl)cccc1[N+](=O)[O-] 4783201 VOTXWUCYIOPNNR-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro Nc1c([N+](=O)[O-])ccc(F)c1Cl 39953717 BIYFBTINNKCDBR-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])ccc1C(=O)O 1757885 XXXOBNJIIZQSPT-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA O=[N+]([O-])c1ccc(F)cn1 18811216 CGFYNRVHPARGFY-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro CCNC(=O)c1cccc([N+](=O)[O-])c1 5456599 MEHSMNJKCAVTNH-UHFFFAOYSA-N 194.190 1.345 5 50 ADBA in-vitro CC(=O)c1cccc([N+](=O)[O-])c1F 91692990 FMRFQXVFOFXBLH-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA in-vitro COc1ncc(Cl)cc1[N+](=O)[O-] 15021653 HJHWUNVJRITHTQ-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro CNc1ccnc(NC)c1[N+](=O)[O-] 95631271 TZKULECVAKNAJY-UHFFFAOYSA-N 182.183 1.073 5 50 ADBA in-vitro CC(=O)Nc1ncc([N+](=O)[O-])s1 3875912 UJRRDDHEMZLWFI-UHFFFAOYSA-N 187.180 1.010 5 50 ADBA in-man O=[N+]([O-])c1cnc(C(F)F)cc1O 238678319 BJBBTDBSLVUXLE-UHFFFAOYSA-N 190.105 1.633 5 50 ADBA COc1cc2c(c([N+](=O)[O-])c1)NCC2 307433522 OCZTZDNBIPMEFO-UHFFFAOYSA-N 194.190 1.571 5 50 ADBA O=[N+]([O-])c1ccc(Cl)nc1F 95933525 VLSBYXNGUYWVMA-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA C[N@+]1(c2ccccc2)CCC(=O)N1 239046996 GBNIUGBBABPWSZ-GFCCVEGCSA-O 177.227 1.059 5 50 ADBA CCCC[N+](C)(C)C 1841116 IUNCEDRRUNZACO-UHFFFAOYSA-N 116.228 1.493 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1 896426 LQNUZADURLCDLV-UHFFFAOYSA-N 123.111 1.595 5 50 ADBA biogenic,in-man N[C@@H]1CCc2c1cccc2[N+](=O)[O-] 97758416 RCVWWESVVPXRIX-MRVPVSSYSA-N 178.191 1.541 5 50 ADBA O=c1ccc2cc([N+](=O)[O-])ccc2o1 134480 RMERXEXZXIVNBF-UHFFFAOYSA-N 191.142 1.701 5 50 ADBA biogenic,in-vitro COC(=O)c1cc(C)ccc1[N+](=O)[O-] 3080876 KFOICDVZQKFCGM-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro O=[N+]([O-])[C@@H](F)Cc1ccccc1 196272206 WFJPQNZLPSGBFO-MRVPVSSYSA-N 169.155 1.801 5 50 ADBA O=[N+]([O-])c1ccc(O)c(F)c1 2040654 ORPHLVJBJOCHBR-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro Cc1cc(C(N)=O)ccc1[N+](=O)[O-] 153318 BCAAGQMIPKPDDX-UHFFFAOYSA-N 180.163 1.002 5 50 ADBA in-vitro COc1ncc(F)cc1[N+](=O)[O-] 82046594 AUTWTMWCSZVKJT-UHFFFAOYSA-N 172.115 1.138 5 50 ADBA in-vitro Nc1nc2cc([N+](=O)[O-])ccc2o1 1615409 QHVCONQZXJPGQZ-UHFFFAOYSA-N 179.135 1.318 5 50 ADBA in-vitro Nc1c([N+](=O)[O-])cnc2ccccc12 26895565 SKPRPEJLFKCOAB-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c(O)c1F 199244441 FFOGGUIUFJWJSN-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA COC(=O)c1cc([N+](=O)[O-])ccc1O 4202341 UUBFELFUKFJSRD-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro O=[N+]([O-])C1=CCCCC1 4528664 DJBRXNRKYAWTBL-UHFFFAOYSA-N 127.143 1.721 5 50 ADBA in-vitro O=C(O)COc1ccccc1[N+](=O)[O-] 43872 TYHHDWAHJRRYCU-UHFFFAOYSA-N 197.146 1.058 5 50 ADBA in-vitro CC(=O)c1cc([N+](=O)[O-])cs1 173954 MURKVQAOBMRVGL-UHFFFAOYSA-N 171.177 1.859 5 50 ADBA in-vitro COc1ccc(C)c(OC)c1[N+](=O)[O-] 238362998 YBUMBXGXYYZJJU-UHFFFAOYSA-N 197.190 1.920 5 50 ADBA COC(=O)[C@H](C)CC[C@@H](C)[N+](=O)[O-] 45068393 DNEMFPDMBPNXRI-RNFRBKRXSA-N 189.211 1.241 5 50 ADBA CCOc1cccc([N+](=O)[O-])c1N 95628391 WBAPTPZBKPFPPB-UHFFFAOYSA-N 182.179 1.576 5 50 ADBA O=[N+]([O-])c1cccnc1OCC1CC1 261494500 ZEFNENZCQFCHKW-UHFFFAOYSA-N 194.190 1.779 5 50 ADBA O=[N+]([O-])c1cccc2cnncc12 16678684 NWASGBYNFZVASN-UHFFFAOYSA-N 175.147 1.538 5 50 ADBA in-vitro O=Cc1cc(O)cc([N+](=O)[O-])c1 39037382 QAGPTXBGYDEOFQ-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)OCO2 566580 SNWQAKNKGGOVMO-UHFFFAOYSA-N 167.120 1.324 5 50 ADBA in-vitro C[N+](C)(C)CCCC1CC1 1775965207 XTQBBBPZKLJXLD-UHFFFAOYSA-N 142.266 1.883 5 50 ADBA O=[N+]([O-])CC1=CCCCC1 4285346 KEELANLBFIOZSH-UHFFFAOYSA-N 141.170 1.764 5 50 ADBA NCc1cc([N+](=O)[O-])ccc1F 44236528 FFWRFKCUUIPQPQ-UHFFFAOYSA-N 170.143 1.193 5 50 ADBA Cc1ccc(CN)cc1[N+](=O)[O-] 2524629 SYGIBQOBTAYVCA-UHFFFAOYSA-N 166.180 1.362 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])c(N)cc1F 4353150 RVAJIOQIKOUNON-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2ccccn12 173367 WYDBFRQNRYIZSL-UHFFFAOYSA-N 163.136 1.243 5 50 ADBA in-vitro O=[N+]([O-])c1ncccc1Cl 2566375 PSGASDJUCYTRAD-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro Cc1cnc(F)c([N+](=O)[O-])c1 14982834 MASVTBZQAKGYJA-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)cc1O 36047177 QQURWFRNETXFTN-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro O=[N+]([O-])c1ncc(Cl)cc1O 118677242 XRSYKYYBXLVPAJ-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1cccc(O)c1 2244055 DHTXBJQMDPODIB-SNAWJCMRSA-N 165.148 1.640 5 50 ADBA in-vitro COC(=O)c1cccc(O)c1[N+](=O)[O-] 34119902 FHCNMPYMCKHBTK-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro COc1cc(C=O)cc([N+](=O)[O-])c1O 337547 ZEHYRTJBFMZHCY-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro O=[N+]([O-])c1ncccc1F 2598978 IJVFHCSUEBAAOZ-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro Cc1sccc1[N+](=O)[O-] 38890445 JXSAZTUUUIXCQN-UHFFFAOYSA-N 143.167 1.965 5 50 ADBA O=[N+]([O-])c1nc(Cl)ccc1O 71254813 GTCNAHJEWXSQIS-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro CC(=O)Nc1ncc([N+](=O)[O-])cc1C 4772927 DDWBNJSUMJDNKC-UHFFFAOYSA-N 195.178 1.257 5 50 ADBA O=[N+]([O-])c1c(O)cccc1Cl 21298329 DFMDAJMTLJGKFW-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro CCNc1ncc(C)cc1[N+](=O)[O-] 39956533 CKFFJTNXAIVBEV-UHFFFAOYSA-N 181.195 1.730 5 50 ADBA COC(=O)c1ccc(O)cc1[N+](=O)[O-] 90513433 XLTVRPYIMBEWNP-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro CNc1ccnc(Cl)c1[N+](=O)[O-] 146568610 JFHZKZCKGOZKTP-UHFFFAOYSA-N 187.586 1.685 5 50 ADBA CCc1ccc(N)c([N+](=O)[O-])c1 4707871 RUQAPQLDPWSAQM-UHFFFAOYSA-N 166.180 1.739 5 50 ADBA Nc1c(F)cc(Cl)cc1[N+](=O)[O-] 88077705 HQJZMWXNKCKFBX-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA C[C@@]1(O)CC=C(C[N+](=O)[O-])CC1 306685106 IPRZKPSZGFFWEI-MRVPVSSYSA-N 171.196 1.124 5 50 ADBA O=[N+]([O-])c1ccc(=S)[nH]c1 1751778 BHQUBONFIYNJDA-UHFFFAOYSA-N 156.166 1.652 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1NC=O 4775552 FUIUWHWBMOROGV-UHFFFAOYSA-N 196.162 1.172 5 50 ADBA O=[N+]([O-])c1ccc2c(F)n[nH]c2c1 140007748 SLHOJJOAGOHGNL-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA Cc1ncc([N+](=O)[O-])c(O)c1C 148990937 WFKHHAYANCSHGZ-UHFFFAOYSA-N 168.152 1.312 5 50 ADBA in-vitro C[N+](C)(C)CC[N+]1(C)CCCCC1 1775971060 NDFNCIDMWYFFIN-UHFFFAOYSA-N 186.343 1.323 5 50 ADBA COC(=O)c1cc(O)cc([N+](=O)[O-])c1 1676684 HTYJYEKZUXJKKW-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-] 4522865 DYSXLQBUUOPLBB-UHFFFAOYSA-N 182.135 1.811 5 50 ADBA C[N@@+]([O-])(CCO)Cc1ccccc1 247951939 MJQPYETZBGKFSD-LLVKDONJSA-N 181.235 1.123 5 50 ADBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1 1683353 WDCYWAQPCXBPJA-UHFFFAOYSA-N 168.108 1.503 5 50 ADBA in-vivo O=Cc1ccc(O)cc1[N+](=O)[O-] 13540409 PTVFUHTYJLKEDZ-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA CNc1cc([N+](=O)[O-])ccc1F 34193718 YWKHWTYJUYVMND-UHFFFAOYSA-N 170.143 1.776 5 50 ADBA CCN(CC)CC(C)(C)[N+](=O)[O-] 526059800 IAIDUZCCMHNVHM-UHFFFAOYSA-N 174.244 1.384 5 50 ADBA O=[N+]([O-])/C=C/c1ccccc1O 1688684 PMDYAIGGZBRBFX-AATRIKPKSA-N 165.148 1.640 5 50 ADBA in-vitro CCCCC[N+](=O)[O-] 1666924 BVALZCVRLDMXOQ-UHFFFAOYSA-N 117.148 1.453 5 50 ADBA in-vitro C[S@](=O)c1cccc([N+](=O)[O-])c1 4963129 ARRRUECVLDIJAY-GFCCVEGCSA-N 185.204 1.332 5 50 ADBA Cc1cc(O)c(C(=O)O)cc1[N+](=O)[O-] 96029250 FDFHHOYNTHKIJE-UHFFFAOYSA-N 197.146 1.307 5 50 ADBA in-vitro Cc1cc(O)ccc1[N+](=O)[O-] 19230181 PIIZYNQECPTVEO-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)NCCO2 3883877 GZAJZBARYACGSO-UHFFFAOYSA-N 180.163 1.399 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)cc(Cl)c1 39170009 HIZPNTCIGGXRIF-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro CCOC(=O)CC(C)(C)C[N+](=O)[O-] 115707920 UXVSMZJRKNDLII-UHFFFAOYSA-N 189.211 1.243 5 50 ADBA Cc1c([N+](=O)[O-])ccc(F)c1CO 146359316 WUKHWFLFJANGHX-UHFFFAOYSA-N 185.154 1.535 5 50 ADBA C[N+]1(C)CCN(c2ccccc2)CC1 155006 MKGIQRNAGSSHRV-UHFFFAOYSA-N 191.298 1.583 5 50 ADBA investigational O=[N+]([O-])c1cc(F)cc2[nH]ncc12 14983258 ZLWWUZPPDBZERM-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro O=C(O)c1cccc(F)c1[N+](=O)[O-] 16158458 DTGONJAUUOWYGB-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1CCO 2018917 SLRIOXRBAPBGEI-UHFFFAOYSA-N 167.164 1.130 5 50 ADBA O=Cc1cc(F)c([N+](=O)[O-])c(F)c1 261494312 USSZMNKNOZKMEM-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-] 4521448 AKLOLDQYWQAREW-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vitro O=C(O)COc1ccc([N+](=O)[O-])cc1 78021 AVDLFIONKHGQAP-UHFFFAOYSA-N 197.146 1.058 5 50 ADBA in-vitro Cc1cccc(C=O)c1[N+](=O)[O-] 34091661 HAGUMWGXABFJMN-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(Cl)n1 155994 DVRGUTNVDGIKTP-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro O=Cc1ccc([N+](=O)[O-])c(O)c1 34781158 AUBBVPIQUDFRQI-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vitro O=[N+]([O-])c1c(O)cccc1F 35569297 GAWNBKUTBVLIPL-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1-c1ncc[nH]1 337649 NEJHPXADNMJLGB-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA O=c1cc[nH]c2ccc([N+](=O)[O-])cc12 5103456 MGCGVNRWZOHFTO-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA O=[N+]([O-])c1cc(O)ccc1O 19691768 VIIYYMZOGKODQG-UHFFFAOYSA-N 155.109 1.006 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2c(c1)CCC2 35822570 MOSHQQPJHRYIHH-UHFFFAOYSA-N 164.164 1.479 5 50 ADBA in-vitro O=C(CC[N+](=O)[O-])c1ccccc1 22129820 PMBFWZPQKKUBSU-UHFFFAOYSA-N 179.175 1.536 5 50 ADBA Cc1cccc(O)c1[N+](=O)[O-] 35799629 QIORDSKCCHRSSD-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro Cc1ncc([N+](=O)[O-])cc1O 95627155 DKODSKBRWBZZOS-UHFFFAOYSA-N 154.125 1.004 5 50 ADBA O=[N+]([O-])c1ccncc1F 2526725 DIFITFKCBAVEAX-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro CNc1cc([N+](=O)[O-])ccc1N 77303018 NVNGTTDFLMOBMZ-UHFFFAOYSA-N 167.168 1.219 5 50 ADBA in-vitro O=C(O)c1cc(F)ccc1[N+](=O)[O-] 158134 GHYZIXDKAPMFCS-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro CCn1cnc2cc([N+](=O)[O-])ccc21 174448 GINJOHOCISEINH-UHFFFAOYSA-N 191.190 1.964 5 50 ADBA CCc1ccc([N+](=O)[O-])cn1 4054152 VUTMOONWKQEUBX-UHFFFAOYSA-N 152.153 1.552 5 50 ADBA CCOC(=O)c1cc([N+](=O)[O-])c[nH]1 1681945 PEORWHVRWXGKMS-UHFFFAOYSA-N 184.151 1.100 5 50 ADBA in-vitro O=C(O)Cc1ccc(F)c([N+](=O)[O-])c1 38283550 FLCOFHGXMMGYDB-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro CCc1ccc(N)cc1[N+](=O)[O-] 20282186 OUVUXCBBKYHSLC-UHFFFAOYSA-N 166.180 1.739 5 50 ADBA in-vitro C[N+]1(C)[C@]23C=CC[C@]21CCC3 101092678 DIXJAAYIBYDZPX-UWVGGRQHSA-N 150.245 1.698 5 50 ADBA CC(=O)COc1ccccc1[N+](=O)[O-] 168634 PYVMIAYOZLGBQM-UHFFFAOYSA-N 195.174 1.563 5 50 ADBA COc1ccc([N+](=O)[O-])cc1 897026 BNUHAJGCKIQFGE-UHFFFAOYSA-N 153.137 1.603 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CCN2 4043641 WJQWYAJTPPYORB-UHFFFAOYSA-N 164.164 1.563 5 50 ADBA in-vitro CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 113702072 FFFXXWWYXCWMTH-UHFFFAOYSA-N 198.153 1.094 5 50 ADBA COc1ccc(F)c([N+](=O)[O-])c1F 261493803 JRCWHMFFZDIBFH-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA COc1ccnc(Cl)c1[N+](=O)[O-] 5285694 SVXPNTNLKOJPTK-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 30678324 CVUNOXYEWWXPCU-UHFFFAOYSA-N 184.151 1.100 5 50 ADBA in-vitro C[C@H]1C[C@H](C)C[N+](C)(C)C1 142680290 HGACHMQVWWZPCX-IUCAKERBSA-N 142.266 1.739 5 50 ADBA COc1cc(N)cc([N+](=O)[O-])c1 2573077 BGWUXZLHDLNYHW-UHFFFAOYSA-N 168.152 1.186 5 50 ADBA in-vitro CCC(=O)Nc1ccc([N+](=O)[O-])cc1 5307381 XHHRFANWCYGWQW-UHFFFAOYSA-N 194.190 1.943 5 50 ADBA in-vitro Nc1ncc([N+](=O)[O-])cc1Cl 35635867 QVPFLVIBWRFJDL-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro C[N+]1(C)CC[C@@H]([C@@H]2CC[N+](C)(C)C2)C1 1857799186 QDEFYXGOKJQKDF-VXGBXAGGSA-N 198.354 1.179 5 50 ADBA O=Cc1c(F)ccc([N+](=O)[O-])c1F 34497287 KFAXVNHRKYGPED-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA COc1cc([N+](=O)[O-])cnc1Cl 66352327 XXGPBLSIXOYNEM-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro Cc1cccc2ncc([N+](=O)[O-])n12 13207517 OGZKKWYLIWRTHQ-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA in-vitro CCCCNc1ncc([N+](=O)[O-])cn1 40454384 OKXWVOCJLPIICD-UHFFFAOYSA-N 196.210 1.597 5 50 ADBA O=[N+]([O-])/C=C/c1ccc(O)cc1 39663 CTJKRKMPTRJAIT-AATRIKPKSA-N 165.148 1.640 5 50 ADBA in-vivo O=[N+]([O-])c1ccc(CO)s1 1574807 QYNOWSBTIMNUDS-UHFFFAOYSA-N 159.166 1.149 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1CO 15416378 NDVYUOCVDRLAPG-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA COc1cc2[nH]ncc2cc1[N+](=O)[O-] 34515679 QULAONDBWZZTOI-UHFFFAOYSA-N 193.162 1.480 5 50 ADBA in-vitro O=[N+]([O-])c1c[nH]c2cccnc12 95830780 FTRQCCAMRDXXGH-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vitro CCc1ccc(O)c([N+](=O)[O-])c1 31333318 NKWRRUKHBWTRPY-UHFFFAOYSA-N 167.164 1.863 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1O 36072255 IZLVFLOBTPURLP-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro C[S@](=O)c1ccccc1[N+](=O)[O-] 12367580 JECOZFMBKQJNDT-GFCCVEGCSA-N 185.204 1.332 5 50 ADBA CCC[C@H](CCC(C)=O)[N+](=O)[O-] 1595451 PYDLGEHDOLTNOA-MRVPVSSYSA-N 173.212 1.801 5 50 ADBA O=Cc1nc2cc([N+](=O)[O-])ccc2o1 226240859 YSCAUYTYJXOCBI-UHFFFAOYSA-N 192.130 1.549 5 50 ADBA Nc1cccc([N+](=O)[O-])c1Cl 2570060 CMYQDOILKQVRGN-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])cc1C 4013126 JZEOVPGWIWSSAK-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA Cc1ccc2ncc([N+](=O)[O-])n2c1 12338629 CUUHOYDMDHFMIY-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA in-vitro Cc1ccc(NC=O)c([N+](=O)[O-])c1 4582647 QLNJWWYNJCJWFQ-UHFFFAOYSA-N 180.163 1.472 5 50 ADBA CNc1ccc([N+](=O)[O-])c(O)c1 139470964 VEDQAJNCTODWDG-UHFFFAOYSA-N 168.152 1.342 5 50 ADBA O=[N+]([O-])c1cc2c(cc1F)CNCC2 95093102 HEKBRXZMLYKQRP-UHFFFAOYSA-N 196.181 1.380 5 50 ADBA in-vitro O=C(O)C=Cc1cccc([N+](=O)[O-])c1 1903360205 WWXMVRYHLZMQIG-UHFFFAOYSA-N 193.158 1.693 5 50 ADBA CC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 9426701 XUYUKRNZHMMHIT-ZCFIWIBFSA-N 197.194 1.016 5 50 ADBA CNc1cccc([N+](=O)[O-])c1 1587879 IKSRCCUOUJJGAU-UHFFFAOYSA-N 152.153 1.637 5 50 ADBA in-vitro C[N@@+]12CCCC[C@@H]1[C@H](CCO)CCC2 252441102 GCMCDBVXBVNWAL-XQQFMLRXSA-N 198.330 1.778 5 50 ADBA biogenic NCc1cc(F)ccc1[N+](=O)[O-] 96301092 JVHBZLBJDNVILA-UHFFFAOYSA-N 170.143 1.193 5 50 ADBA O=[N+]([O-])c1ccc2c(c1)NCC2 153773 LTNYDSMDSLOMSM-UHFFFAOYSA-N 164.164 1.563 5 50 ADBA in-vitro C[C@@H]([C@@H](O)c1ccccc1)[N+](=O)[O-] 1733935 JGYVPZIKTZGAAD-IONNQARKSA-N 181.191 1.385 5 50 ADBA CNC(=O)c1cc([N+](=O)[O-])ccc1F 37285945 IGSVAMSQRNPSRN-UHFFFAOYSA-N 198.153 1.094 5 50 ADBA in-vitro C[C@H]([C@@H](O)c1ccccc1)[N+](=O)[O-] 1733936 JGYVPZIKTZGAAD-VXNVDRBHSA-N 181.191 1.385 5 50 ADBA O=[N+]([O-])c1cnc2cc(Cl)ccn12 38537197 OUZJWCHBKWOMPF-UHFFFAOYSA-N 197.581 1.896 5 50 ADBA in-vitro O=C(O)Cc1ccc([N+](=O)[O-])cc1F 40566661 HKGNZXXYXCKJHO-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro O=[N+]([O-])/C=C\c1ccccc1O 5063983 PMDYAIGGZBRBFX-WAYWQWQTSA-N 165.148 1.640 5 50 ADBA Cc1c(C(=O)O)cc(N)cc1[N+](=O)[O-] 39084280 OQNCKOPCRLYKOC-UHFFFAOYSA-N 196.162 1.184 5 50 ADBA C[N@+]12CCCC[C@@H]1[C@H](CCO)CCC2 252441103 GCMCDBVXBVNWAL-YNEHKIRRSA-N 198.330 1.778 5 50 ADBA biogenic COc1cc([N+](=O)[O-])ccc1C(=O)O 1758059 KPJXEWJRJKEOCD-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc(C)c1N 4774432 NSBSVUUVECHDDX-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro COC(=O)c1cccc(F)c1[N+](=O)[O-] 47202389 CAEZBCWSCZBLRF-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(C)c1N 1676672 LDFJDBAOBVUXMQ-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA in-vitro O=C(O)c1ccc(F)cc1[N+](=O)[O-] 2164756 YLUCXHMYRQUERW-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro Nc1cc(F)c([N+](=O)[O-])cc1F 4783291 IBGGCVMFSJQOID-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro Cc1cncc([N+](=O)[O-])c1C 15781703 YBGDWMNIMXOAHA-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA Cc1cc(Cl)cnc1[N+](=O)[O-] 98178479 JQKDQMHAQKONAB-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA C[N+](C)(C)c1ccc(C(=O)O)cc1 301412 XPULRSZBSCQUTI-UHFFFAOYSA-O 180.227 1.582 5 50 ADBA CCCC(=O)SCC[N+](C)(C)C 1592591 AWBGQVBMGBZGLS-UHFFFAOYSA-N 190.332 1.753 5 50 ADBA in-vivo CCNCc1cccc([N+](=O)[O-])c1 6385346 VVXKCFGNOOAFGU-UHFFFAOYSA-N 180.207 1.704 5 50 ADBA in-vitro Cc1n[nH]c2cc([N+](=O)[O-])ccc12 16677949 FUNWSYKLFDLUIZ-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro Cc1cc2cc([N+](=O)[O-])cnc2[nH]1 44712799 IWFJRRNZXJEJGF-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro O=[N+]([O-])c1ccc([N+](=O)[O-])cc1 3875684 FYFDQJRXFWGIBS-UHFFFAOYSA-N 168.108 1.503 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])c(F)cc1N 14985729 RZRYLRYVZYEYNR-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA O=Cc1c(F)cc([N+](=O)[O-])cc1F 96867659 JNHSVSOHMUMJNK-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA in-vitro Cc1cccc([N+](=O)[O-])c1N 3860618 FCMRHMPITHLLLA-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro Cc1cc(F)c([N+](=O)[O-])cc1N 39133591 LHIUCVZCVMTRNG-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(-c2nnco2)c1 4030573 NSIRBOSXFXTYQL-UHFFFAOYSA-N 191.146 1.645 5 50 ADBA Nc1cc(F)ccc1[N+](=O)[O-] 4416634 PEDMFCHWOVJDNW-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro C[C@@H]1C[C@@H](C)C[N+](C)(C)C1 142680473 HGACHMQVWWZPCX-RKDXNWHRSA-N 142.266 1.739 5 50 ADBA O=C1CCOc2cc([N+](=O)[O-])ccc21 39616662 LSJDOYAXWWYHPO-UHFFFAOYSA-N 193.158 1.560 5 50 ADBA Cn1ccc2cc([N+](=O)[O-])cnc21 149931914 OIMUASCYJUQGSD-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA O=[N+]([O-])c1cc(F)ccc1F 164551 XNJAYQHWXYJBBD-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA in-vitro C[C@H](O)C1([N+](=O)[O-])CCCCC1 2141655 YIKCHZRYVSLLSN-ZETCQYMHSA-N 173.212 1.347 5 50 ADBA Nc1c([N+](=O)[O-])cc(F)c(F)c1F 4269492 ILENVKAVEFKZSD-UHFFFAOYSA-N 192.096 1.594 5 50 ADBA in-vitro CN(CCO)c1ccccc1[N+](=O)[O-] 39648643 KEWKYHASHFMCQD-UHFFFAOYSA-N 196.206 1.023 5 50 ADBA O=[N+]([O-])c1ccc(-n2ccnc2)cc1 77197 PUCOOPJLAXJKOO-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro O=[N+]([O-])c1c(O)cc(F)cc1F 16159818 LIQHPNDCQUCZKL-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 35989683 XZYRROIQJHLVRG-UHFFFAOYSA-N 196.162 1.259 5 50 ADBA COc1cc([N+](=O)[O-])cc(C)c1N 202423973 POWOOYMMFCGHCF-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA O=[N+]([O-])c1c(O)cccc1O 90393817 ZLCPKMIJYMHZMJ-UHFFFAOYSA-N 155.109 1.006 5 50 ADBA in-vitro O=[N+]([O-])c1ccsc1 967491 SIPCFXFCVTUAID-UHFFFAOYSA-N 129.140 1.656 5 50 ADBA C[N+](C)(C)c1ccc(C=O)cc1 83942 DPICUSGMCNPSSA-UHFFFAOYSA-N 164.228 1.696 5 50 ADBA Cc1nc2cc([N+](=O)[O-])ccc2n1C 173070 CRRGPIBVQLNTRN-UHFFFAOYSA-N 191.190 1.790 5 50 ADBA COc1nc(Cl)ccc1[N+](=O)[O-] 34480131 OVVBXVJFGCFEFK-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)cc1Cl 36020360 DKTRZBWXGOPYIX-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro COc1nc(C)ccc1[N+](=O)[O-] 8698097 JDDZEAXDQIARMR-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro Cc1nc2c(C)cccn2c1[N+](=O)[O-] 40163512 XWWCHTDGTULAHQ-UHFFFAOYSA-N 191.190 1.859 5 50 ADBA O=[N+]([O-])c1cc(F)ccc1CO 44184854 AYLMINHMFZNILI-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(C(=O)O)c1 1670424 QRRSIFNWHCKMSW-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-c2cn[nH]c2)cc1 154181 VTNBVJYDTGBDJO-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1CO 157463 BWRBVBFLFQKBPT-UHFFFAOYSA-N 153.137 1.087 5 50 ADBA in-vitro Cc1n[nH]c(Cl)c1[N+](=O)[O-] 1225148 ZCHRCALASPNJEQ-UHFFFAOYSA-N 161.548 1.280 5 50 ADBA CC(=O)c1cc([N+](=O)[O-])ccc1O 1847234 LNCBPUWMGYOISS-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro O=[N+]([O-])c1cccnc1F 2383998 QDKIYDGHCFZBGC-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro COc1nc(Cl)ncc1[N+](=O)[O-] 5356826 JMFJZBKFBHAICF-UHFFFAOYSA-N 189.558 1.047 5 50 ADBA in-vitro CC[N+](C)(CC)CCOC 59684573 BXHHZLMBMOBPEH-UHFFFAOYSA-N 146.254 1.119 5 50 ADBA in-vitro COC(=O)c1cccc([N+](=O)[O-])c1O 2564297 NIBVYEHAFBEVFI-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])cc1F 4760465 KFSFGCHQQCRZBB-UHFFFAOYSA-N 198.153 1.692 5 50 ADBA CC(=O)Cc1ccc([N+](=O)[O-])cc1 1596350 GEWWCWZGHNIUBW-UHFFFAOYSA-N 179.175 1.726 5 50 ADBA CC(=O)c1cccc(N)c1[N+](=O)[O-] 39617555 SZKDXWIWZZKYTG-UHFFFAOYSA-N 180.163 1.380 5 50 ADBA CC(C)Oc1ncccc1[N+](=O)[O-] 204780829 IIEBBISRDCADBW-UHFFFAOYSA-N 182.179 1.777 5 50 ADBA O=[N+]([O-])c1ccc(C(F)F)nc1 215773789 QBVBANWRADHVHP-UHFFFAOYSA-N 174.106 1.927 5 50 ADBA in-vitro C[N@+]1(c2ccccc2)CCC(N)=N1 245225986 CQFCMCLJTPNDPB-CYBMUJFWSA-N 176.243 1.300 5 50 ADBA Cc1c(NN)cccc1[N+](=O)[O-] 2533968 KHZUSEASVVTALS-UHFFFAOYSA-N 167.168 1.189 5 50 ADBA in-vitro COc1cc(F)c(F)cc1[N+](=O)[O-] 40442715 JQFISHUXFQMRFG-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro COCCc1ccc([N+](=O)[O-])cc1 33605701 VZUJQBDFJZRCBQ-UHFFFAOYSA-N 181.191 1.784 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(NCCCO)cc1 4358704 WVKYZNIVNCTAQE-UHFFFAOYSA-N 196.206 1.389 5 50 ADBA COc1ccc(/C=C\[N+](=O)[O-])cc1 5009962 JKQUXSHVQGBODD-SREVYHEPSA-N 179.175 1.943 5 50 ADBA NCCCNc1ccc([N+](=O)[O-])cc1 4045567 GWSAHMGJLUJBQX-UHFFFAOYSA-N 195.222 1.356 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1C(=O)O 156996 DJRFJAVPROZZFL-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA in-vitro CCC[N+](C)(C)C 1627227 GSBKRFGXEJLVMI-UHFFFAOYSA-N 102.201 1.103 5 50 ADBA endogenous,in-man C[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1 4276965 JSDLOLMVNKROEB-UHFFFAOYSA-N 195.242 1.801 5 50 ADBA Nc1cc(F)c([N+](=O)[O-])c(F)c1 4348059 RKBPGWQSTWNFRY-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2nncc(O)c12 15767317 ZIPKILGHRIMBEY-UHFFFAOYSA-N 191.146 1.244 5 50 ADBA C[N@+]12CCCC[C@H]1[C@H](CCO)CCC2 504253713 GCMCDBVXBVNWAL-RWMBFGLXSA-N 198.330 1.778 5 50 ADBA biogenic O=[N+]([O-])c1cn(C2CC2)cn1 95829797 ZOUJGYZBGXLVNT-UHFFFAOYSA-N 153.141 1.126 5 50 ADBA O=[N+]([O-])c1cccnc1N1CCC1 306887457 UNRDPHNKZYOTQU-UHFFFAOYSA-N 179.179 1.200 5 50 ADBA O=[N+]([O-])c1ccnc(F)c1 2526706 BOGKTBKWDIUAGK-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro Cc1ccc(N)c([N+](=O)[O-])c1 3844700 DLURHXYXQYMPLT-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro NC(=S)Nc1ccccc1[N+](=O)[O-] 6095143 FLGZBEKWHFRZNP-UHFFFAOYSA-N 197.219 1.250 5 50 ADBA in-vitro COC(=O)c1cc([N+](=O)[O-])ccc1F 21298915 JZLONOOYIXEAHM-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 229561505 FCHQLCVKQJDPMW-UHFFFAOYSA-N 198.153 1.692 5 50 ADBA CC(=O)c1cc(N)ccc1[N+](=O)[O-] 19798754 OZXKGJXFDISTBG-UHFFFAOYSA-N 180.163 1.380 5 50 ADBA in-vitro C[N+]1=CCc2c(cccc2[N+](=O)[O-])C1 2156537 CGIGCVWKNZHDCH-UHFFFAOYSA-N 191.210 1.364 5 50 ADBA O=[N+]([O-])c1ncc(Cl)cc1F 88189955 FUKOQNFWJNNEQO-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1 1680638 WGYFINWERLNPHR-UHFFFAOYSA-N 153.137 1.603 5 50 ADBA in-vitro COc1ncnc(Cl)c1[N+](=O)[O-] 1699125 YZTJXHWQWCLEJX-UHFFFAOYSA-N 189.558 1.047 5 50 ADBA in-vitro O=c1[nH]c2ccccc2cc1[N+](=O)[O-] 11804033 MZVAAWXYMDEDLD-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro Nc1nc2c([N+](=O)[O-])cccc2o1 71981122 GLYRPQRCQMLKSM-UHFFFAOYSA-N 179.135 1.318 5 50 ADBA Nc1nccc2ccc([N+](=O)[O-])cc12 164014109 OCZGKOHVBQYFSW-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro COc1ccc(C(C)=O)cc1[N+](=O)[O-] 162618 VXLKYQQBEPCMJE-UHFFFAOYSA-N 195.174 1.806 5 50 ADBA in-vitro Cc1c(O)ccc([N+](=O)[O-])c1O 19893235 XUJPAYGWMCNRTA-UHFFFAOYSA-N 169.136 1.314 5 50 ADBA O=Cc1ccc([N+](=O)[O-])s1 154896 CHTSWZNXEKOLPM-UHFFFAOYSA-N 157.150 1.469 5 50 ADBA in-vitro C[N+](C)(C)C[C]1[CH][CH][CH][CH]1 100054388 ITTUJKIGENPKFG-UHFFFAOYSA-N 137.226 1.098 5 50 ADBA O=Cc1ccc([N+](=O)[O-])cc1O 1730394 HHDPXULKSZZACU-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vitro NCc1ccc(Cl)c([N+](=O)[O-])c1 2524608 DSZQTLPQIDVMBT-UHFFFAOYSA-N 186.598 1.707 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(Cl)cc1O 36719633 MZDBQSFPAMTTIS-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro Cc1c[nH]c2nccc([N+](=O)[O-])c12 206024543 VSUOHIJYKFLZLY-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA CC(=O)c1cc(N)c(C)cc1[N+](=O)[O-] 5212238 RRABUPVOQKOEGY-UHFFFAOYSA-N 194.190 1.688 5 50 ADBA O=[N+]([O-])c1cnccc1NC1CC1 20370178 OXWIUZUWZJVMSR-UHFFFAOYSA-N 179.179 1.564 5 50 ADBA in-vitro O=Cc1cc(O)ccc1[N+](=O)[O-] 34766253 XLYPHUGUKGMURE-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vitro O=C1OCc2c1cc(F)cc2[N+](=O)[O-] 85224321 JBLFHMWQMPVDDL-UHFFFAOYSA-N 197.121 1.404 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 4772923 APOWIBWCHFFTST-UHFFFAOYSA-N 195.178 1.257 5 50 ADBA O=[N+]([O-])c1ccnn1C1CCCC1 12397062 KJHJYEMYLGROER-UHFFFAOYSA-N 181.195 1.906 5 50 ADBA O=[N+]([O-])c1cccc(-n2cccn2)c1 35728291 WTFRZFHXSRGFQB-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc(C)n1 6266291 OLERZURONBJUJK-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA in-vitro O=C(O)/C=C/c1ccc([N+](=O)[O-])o1 84888 LWOWNIPZHGWKNR-DUXPYHPUSA-N 183.119 1.286 5 50 ADBA in-vitro O=[N+]([O-])c1ccnc2[nH]ccc12 14984910 ULDUNXDRDOJMJZ-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])c(C=O)cc1O 36378913 PTULGYAZUWPSQM-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro O=C(O)CCc1cccc([N+](=O)[O-])c1 2574344 ZOANOABZUNJOJT-UHFFFAOYSA-N 195.174 1.612 5 50 ADBA in-vitro CC(C)Nc1ncccc1[N+](=O)[O-] 21806452 FIFYOMWPOMVFAZ-UHFFFAOYSA-N 181.195 1.810 5 50 ADBA in-vitro C[N@+]12CCCC[C@@H]1[C@H](CO)CCC2 252441479 YAUVTYWHVQNESX-QJPTWQEYSA-N 184.303 1.388 5 50 ADBA biogenic O=[N+]([O-])c1ccc(Cl)c(O)c1 78157 BUMGQSCPTLELLS-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro O=c1c([N+](=O)[O-])c[nH]c2ccccc12 8647780 ZWISCKSGNCMAQO-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro O=c1ccc2cccc([N+](=O)[O-])c2[nH]1 8652260 LPIFZNBFLQNYIA-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA in-vitro Nc1cc([N+](=O)[O-])c(F)cc1F 2525308 LYWNQLCSOFZLOR-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro CC(=O)Nc1ccccc1[N+](=O)[O-] 3958740 BUNFNRVLMKHKIT-UHFFFAOYSA-N 180.163 1.553 5 50 ADBA Cc1ccc(/C=C/[N+](=O)[O-])o1 3119557 YUGJJOVWZWUBQX-SNAWJCMRSA-N 153.137 1.835 5 50 ADBA in-vitro O=[N+]([O-])c1cc2[nH]ncc2cc1F 89197051 JRSRHHJSNKBZCB-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro Nc1cc(F)c(F)c(F)c1[N+](=O)[O-] 71790133 AZHUGULFZXJYAR-UHFFFAOYSA-N 192.096 1.594 5 50 ADBA in-vitro CCC[N+]1(C)CCCC1 38844066 YQFWGCSKGJMGHE-UHFFFAOYSA-N 128.239 1.637 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])cc(F)c1F 114927900 VLYKDOPLRIZFCY-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro CC(=O)N(C)c1cccc([N+](=O)[O-])c1 39848 URTKKUOKOMUICY-UHFFFAOYSA-N 194.190 1.578 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)C[C@H](O)C2 1435972 VAPGHIYRAUSHOH-SECBINFHSA-N 179.175 1.054 5 50 ADBA in-vitro Nc1ccc(F)c([N+](=O)[O-])c1 1706159 LLIOADBCFIXIEU-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro O=[N+]([O-])c1cccnc1N1CCCC1 20246993 SMRXLVBZPIVHDZ-UHFFFAOYSA-N 193.206 1.590 5 50 ADBA COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3875819 CVYZVNVPQRKDLW-UHFFFAOYSA-N 198.134 1.512 5 50 ADBA in-vitro Cc1ccc(C(=O)O)c(C)c1[N+](=O)[O-] 39291424 KBUZCIJRGFXZMN-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA COCc1cccc([N+](=O)[O-])c1 90556003 AQBJFFGQNRWTMM-UHFFFAOYSA-N 167.164 1.741 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(CO)cc1 157462 JKTYGPATCNUWKN-UHFFFAOYSA-N 153.137 1.087 5 50 ADBA in-vitro,metabolite Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 12405045 ZXVONLUNISGICL-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA in-vitro C[N+]1(C)C[C@@H]2CC(=O)C[C@@H](C2)C1 79017994 SMPREGRCQGRGDD-DTORHVGOSA-N 168.260 1.062 5 50 ADBA Cc1c(F)cc(C(=O)O)cc1[N+](=O)[O-] 32625207 ZQBWRQKRMZXTKX-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA Cc1ccc(C(=O)O)cc1[N+](=O)[O-] 120501 BBEWSMNRCUXQRF-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA biogenic,in-vitro CC(=O)Nc1cccc([N+](=O)[O-])c1 171659 KFTYNYHJHKCRKU-UHFFFAOYSA-N 180.163 1.553 5 50 ADBA C[N+]1(C)[C@@]23CC=C[C@]21CCC3 101092675 DIXJAAYIBYDZPX-VHSXEESVSA-N 150.245 1.698 5 50 ADBA O=[N+]([O-])/C=C/c1ccco1 55261 WVUICGOYGDHVBH-ONEGZZNKSA-N 139.110 1.527 5 50 ADBA in-vitro Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1555408 MPBZUKLDHPOCLS-UHFFFAOYSA-N 183.123 1.085 5 50 ADBA Cc1cc([N+](=O)[O-])c(O)cc1[N+](=O)[O-] 34144354 KBKKXHQMXZFCLI-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)c(F)cc1F 12336323 SMRYCTJAGPDVEH-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro COc1c(F)cc([N+](=O)[O-])cc1F 16159168 HHWLNWSVKHLZDB-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro Cc1nc2c([N+](=O)[O-])cccc2[nH]1 1433327 NPNUZBBMRYRAPF-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA O=[N+]([O-])c1cnc(Cl)cc1O 40448321 ISUVKOGCKDBJMD-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro Nc1ccc([N+](=O)[O-])cc1Cl 3860833 LOCWBQIWHWIRGN-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro CC(=O)N(C)c1ccccc1[N+](=O)[O-] 4107439 KYRBLTADDMVJTF-UHFFFAOYSA-N 194.190 1.578 5 50 ADBA Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 4252814 MOOOPNRPJGZXPE-UHFFFAOYSA-N 197.150 1.394 5 50 ADBA in-vitro Nc1ccc([N+](=O)[O-])cc1S 34589102 UJDSRXSZJCJVCS-UHFFFAOYSA-N 170.193 1.466 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2[nH]ccc2c1 14984920 INMIPMLIYKQQID-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA O=C(O)/C=C/C1=CCC[C@@H]([N+](=O)[O-])C1 45331636 PEYXGOWSKLZBEO-WTSVBCDHSA-N 197.190 1.383 5 50 ADBA C[N+]1(C)CC[C@@H]([C@H]2CC[N+](C)(C)C2)C1 1857799185 QDEFYXGOKJQKDF-TXEJJXNPSA-N 198.354 1.179 5 50 ADBA COCc1ccc([N+](=O)[O-])cc1 1764640 IAZCGAQNYXPMFF-UHFFFAOYSA-N 167.164 1.741 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])cc1O 4363831 VVVCUZJRBFEICS-UHFFFAOYSA-N 196.162 1.259 5 50 ADBA in-vitro COc1cccc([N+](=O)[O-])c1C(=O)O 38339180 ORPBIIFFJYJUHR-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro CCC[N+](C)(C)CC 1709045 ZOZZQPFBMNNPPO-UHFFFAOYSA-N 116.228 1.493 5 50 ADBA O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-] 3875434 MHKBMNACOMRIAW-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1cccc([N+](=O)[O-])c1 1608653 YOEGXQQUPVDQEE-SNAWJCMRSA-N 194.146 1.842 5 50 ADBA in-vitro Nc1cccc(F)c1[N+](=O)[O-] 16158504 NSFGNLQLWFZHKK-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])cc1CC(=O)O 36294302 JCSRJKWRJVUXSQ-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro O=[N+]([O-])c1c(Cl)cccc1CO 2525470 ZSMDJSXEFYWXPD-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA Cc1cccc([N+](=O)[O-])c1O 19861881 AQDKZPFDOWHRDZ-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro COc1cc2[nH]cc([N+](=O)[O-])c2cn1 44713129 RQXSZIQXHRIKBA-UHFFFAOYSA-N 193.162 1.480 5 50 ADBA in-vitro Cc1ccccc1[N+](=O)[O-] 1700065 PLAZTCDQAHEYBI-UHFFFAOYSA-N 137.138 1.903 5 50 ADBA in-vitro CNc1ncccc1[N+](=O)[O-] 19738644 SILGRKFIVIVPKA-UHFFFAOYSA-N 153.141 1.032 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2c[n+]([O-])ccc12 2379206 WBAQSNZRHXVIOH-UHFFFAOYSA-N 190.158 1.381 5 50 ADBA O=[N+]([O-])c1cnc(Cl)nc1Cl 2023569 INUSQTPGSHFGHM-UHFFFAOYSA-N 193.977 1.692 5 50 ADBA in-vitro CC[N+]1(C)CCCC1 2384151 NIHOUJYFWMURBG-UHFFFAOYSA-N 114.212 1.247 5 50 ADBA in-vitro O=[N+]([O-])c1cnc2c(c1)CCCC2 71260706 HBFBJEXFVBHLIC-UHFFFAOYSA-N 178.191 1.869 5 50 ADBA in-vitro Nc1cc2c(cc1[N+](=O)[O-])OCC2 39386426 BTYCNIIIWYDUOF-UHFFFAOYSA-N 180.163 1.112 5 50 ADBA Cc1cc(CCO)ccc1[N+](=O)[O-] 71773719 IUHPKTJNAUTYMK-UHFFFAOYSA-N 181.191 1.438 5 50 ADBA COc1cccc([N+](=O)[O-])c1OC 117996997 DWVNLBRNGAANPI-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA O=[N+]([O-])c1ccc([C@H]2O[C@@H]2CO)cc1 6093233 TVWSYFXHQPGITR-RKDXNWHRSA-N 195.174 1.027 5 50 ADBA O=[N+]([O-])c1ccc(F)c(O)c1 14007835 WFRLFZAMCVAQLN-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro Cc1c(Cl)cnc(N)c1[N+](=O)[O-] 21985718 LLWKTQALVZANCU-UHFFFAOYSA-N 187.586 1.534 5 50 ADBA in-vitro O=[N+]([O-])c1cc(CO)ccc1Cl 2567941 QLLRQJDSYJIXTN-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro CN(C)c1ccc([N+](=O)[O-])cn1 20268690 UCAOGXRUJFKQAP-UHFFFAOYSA-N 167.168 1.056 5 50 ADBA in-vitro C=CC(=O)Nc1cccc([N+](=O)[O-])c1 36334296 PJASPDPXLKIZHB-UHFFFAOYSA-N 192.174 1.719 5 50 ADBA in-vitro CN(C)C(=N)c1cccc([N+](=O)[O-])c1 3163559 KTOORQZCMZXYFF-UHFFFAOYSA-N 193.206 1.482 5 50 ADBA COc1cc(F)c([N+](=O)[O-])cc1F 75789539 OEODGYCZRSHEBE-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(ccc[n+]2[O-])c1 5845646 FABIKJYANKLSLU-UHFFFAOYSA-N 190.158 1.381 5 50 ADBA COc1c([N+](=O)[O-])ccc2c1CCN2 204787111 CXPKRUKASSEDMI-UHFFFAOYSA-N 194.190 1.571 5 50 ADBA CC(=O)c1ccc(O)c([N+](=O)[O-])c1 1664679 MMNKVWGVSHRIJL-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(C2(CO)CC2)c1 307079212 NIQNSTZGNNIBHX-UHFFFAOYSA-N 193.202 1.619 5 50 ADBA COc1cc(F)c([N+](=O)[O-])c(F)c1 21987791 YNHSGDUOWUPKKQ-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro Cc1ccc(F)c([N+](=O)[O-])c1N 95494781 DCUPOKXMFOUBAP-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA NNc1ccc(Cl)c([N+](=O)[O-])c1 88589 YOFPKAULHAIEJM-UHFFFAOYSA-N 187.586 1.534 5 50 ADBA in-vitro O=[N+]([O-])c1cccnc1NC1CC1 20135254 MPSNZVZFQHGGDP-UHFFFAOYSA-N 179.179 1.564 5 50 ADBA in-vitro CCNC(=O)c1ccccc1[N+](=O)[O-] 75519 MEUCVEVMNSNATL-UHFFFAOYSA-N 194.190 1.345 5 50 ADBA COc1cc(C(C)=O)ccc1[N+](=O)[O-] 2545418 QGZZCBCLSMAVSE-UHFFFAOYSA-N 195.174 1.806 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])cn1 6276125 USZINSZJSVMICC-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA NSc1ccccc1[N+](=O)[O-] 1603693 LOVVSIULYJABJF-UHFFFAOYSA-N 170.193 1.561 5 50 ADBA CSc1nc(N)c([N+](=O)[O-])s1 4290464 ZPCLHYJMLDEAHT-UHFFFAOYSA-N 191.237 1.355 5 50 ADBA Nc1cc([N+](=O)[O-])cc(Cl)c1O 1235086 TWLMSPNQBKSXOP-UHFFFAOYSA-N 188.570 1.536 5 50 ADBA in-vitro Cc1nccc([N+](=O)[O-])c1C 21299925 WSQGOUOZNCRFNQ-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA in-vitro COc1cc(F)c(N)cc1[N+](=O)[O-] 148878346 QNGXAMOUXIMNCN-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA COC(=O)c1ccc([N+](=O)[O-])cc1O 1648954 DODUOCYKSQVFSW-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro NCc1cccc([N+](=O)[O-])c1 1619278 CIUYJYRQKYGNQP-UHFFFAOYSA-N 152.153 1.054 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(F)c1F 2565580 IXIJRPBFPLESEI-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA in-vitro Nc1cc(Cl)cc(F)c1[N+](=O)[O-] 575722132 GIOPZRJOGOUPMU-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA CC(C)(CCC1OCCO1)[N+](=O)[O-] 155920 ONLCLPRCWSOGPM-UHFFFAOYSA-N 189.211 1.195 5 50 ADBA COc1cc([N+](=O)[O-])c(F)cc1N 91252306 ZMQFEOYUITZEMG-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA O=[N+]([O-])c1ccc2c(c1)NCCC2 1621036 WSWMGHRLUYADNA-UHFFFAOYSA-N 178.191 1.953 5 50 ADBA in-vitro C/C(=C/c1ccco1)[N+](=O)[O-] 1668236 ZJQJRPWHHXBVQO-WAYWQWQTSA-N 153.137 1.917 5 50 ADBA O=[N+]([O-])c1c(O)ccnc1Cl 40448317 RGJVVCCIZKLJRL-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro COc1cc(C=O)c(O)c([N+](=O)[O-])c1 51498733 CCHTVTHOPTTYSY-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro COCOc1cccc([N+](=O)[O-])c1 82113086 GYQYQOZCWGUZBX-UHFFFAOYSA-N 183.163 1.578 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)cc1 1706157 WFQDTOYDVUWQMS-UHFFFAOYSA-N 141.101 1.734 5 50 ADBA Nc1cc(F)cc([N+](=O)[O-])c1 1841289 OPMFAZASMJCCOQ-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro CCCOc1ccc(N)cc1[N+](=O)[O-] 2028909 ZSUBWKSUEBTXOR-UHFFFAOYSA-N 196.206 1.966 5 50 ADBA O=Cc1c[nH]c2c([N+](=O)[O-])cccc12 2572407 ADGKBVRTGVODMM-UHFFFAOYSA-N 190.158 1.889 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(N)c1[N+](=O)[O-] 5419780 KZSINJBSWZJVRO-UHFFFAOYSA-N 197.150 1.394 5 50 ADBA Cc1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-] 91301266 HIQCTHFRLRVNPP-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA in-vitro O=c1ncc2ccc3ncccc3c2[nH]1 117700029 QZGXKHLZLRKTOV-UHFFFAOYSA-N 197.197 1.471 5 50 ADBA COc1cc([N+](=O)[O-])cc(OC)c1O 39169063 PDFATCIPSRONEB-UHFFFAOYSA-N 199.162 1.318 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1CO 3132642 IBQRNQSJJZLSTK-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA Cc1c(C(N)=O)cccc1[N+](=O)[O-] 4013983 RRDXGSJTLUNXHN-UHFFFAOYSA-N 180.163 1.002 5 50 ADBA in-vitro CN(C)Cc1ccc([N+](=O)[O-])cc1 68675219 ZRLVPQKSXHTXMN-UHFFFAOYSA-N 180.207 1.656 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])c(C(=O)O)c1 163370 URADKXVAIGMTEG-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro CC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 9426700 XUYUKRNZHMMHIT-LURJTMIESA-N 197.194 1.016 5 50 ADBA O=[N+]([O-])c1ccc(OC[C@@H]2CO2)cc1 162466 FPIGOBKNDYAZTP-SECBINFHSA-N 195.174 1.372 5 50 ADBA in-vitro COc1ccc(OC)c([N+](=O)[O-])c1 1591843 UPTOWXNJLZJTGD-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA CNCCc1ccc([N+](=O)[O-])cc1 2568348 PTPPVTUXJDJAGY-UHFFFAOYSA-N 180.207 1.357 5 50 ADBA in-vitro C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1 12956121 JVOZJSSFSXFDAU-ZCFIWIBFSA-N 178.191 1.951 5 50 ADBA in-vitro Nc1noc2ccc([N+](=O)[O-])cc12 39168521 KIQGBLRPXXDRBZ-UHFFFAOYSA-N 179.135 1.318 5 50 ADBA in-vitro N[C@H]1CCc2c1cccc2[N+](=O)[O-] 97758415 RCVWWESVVPXRIX-QMMMGPOBSA-N 178.191 1.541 5 50 ADBA COC(=O)c1ccccc1[N+](=O)[O-] 152828 AOXPHVNMBPFOFS-UHFFFAOYSA-N 181.147 1.381 5 50 ADBA COCc1ccc(N)c([N+](=O)[O-])c1 50830435 FILGGGAQCDVEQJ-UHFFFAOYSA-N 182.179 1.323 5 50 ADBA Nc1c(Cl)cc(F)cc1[N+](=O)[O-] 88077695 COJJQULUJYCZEP-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro Nc1c[nH]c2ccc([N+](=O)[O-])cc12 669382917 NRXIEQJIEFTAOX-UHFFFAOYSA-N 177.163 1.658 5 50 ADBA COc1ccc([N+](=O)[O-])cc1OC 80767 YFWBUVZWCBFSQN-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])cc1N 1648344 DSBIJCMXAIKKKI-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro Cc1cc(N)ccc1[N+](=O)[O-] 4366989 XPAYEWBTLKOEDA-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro CCNc1ccc([N+](=O)[O-])cn1 19926285 XEGSKOYSJGIUCY-UHFFFAOYSA-N 167.168 1.422 5 50 ADBA in-vitro COc1ccc(F)c([N+](=O)[O-])c1 40448799 ZRIKJXDEJYMBEJ-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro COc1ccc(CN)c([N+](=O)[O-])c1 4253112 BIELODAMHRLSCS-UHFFFAOYSA-N 182.179 1.062 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)c2ncccc2c1 78149 BVBQGQLGXJDKLZ-UHFFFAOYSA-N 190.158 1.849 5 50 ADBA biogenic,in-vitro O=[N+]([O-])c1cccnc1Cl 164421 UUOLETYDNTVQDY-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c2cn[nH]c12 1404078 CVMZDSQFDHLYSI-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro CCOC(=O)c1ccc([N+](=O)[O-])cc1 1512541 PHWSCBWNPZDYRI-UHFFFAOYSA-N 195.174 1.772 5 50 ADBA in-vitro Nc1cc(Cl)cc([N+](=O)[O-])c1 1587863 RXAFMJXGEACRGX-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA in-vitro Nc1ccc(Cl)c([N+](=O)[O-])c1F 263615841 FLHRUUAENXYREY-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA O=[N+]([O-])c1c(Cl)ncnc1Cl 1078933 HCTISZQLTGAYOX-UHFFFAOYSA-N 193.977 1.692 5 50 ADBA in-vitro COc1ccc(C)cc1[N+](=O)[O-] 1847839 LGNMURXRPLMVJI-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA COC(=O)c1ccc(F)c([N+](=O)[O-])c1 3124826 CNJJSTPBUHAEFH-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro COc1cc(OC)cc([N+](=O)[O-])c1 14614093 WVUCNNGUXNXOBY-UHFFFAOYSA-N 183.163 1.612 5 50 ADBA O=[N+]([O-])c1cccnc1-n1ccnc1 34929130 ACJKDAOFHMVUOJ-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA COC(=O)c1cc([N+](=O)[O-])ccc1C 3132831 TVGKPVDDCDQBRC-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro COc1ccc(OC)c([N+](=O)[O-])c1N 5249040 IYZRKVSLWPDVKX-UHFFFAOYSA-N 198.178 1.194 5 50 ADBA Cc1ncccc1[N+](=O)[O-] 13208028 CCFGTKQIRWHYTB-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1O 1706152 MZVKNFPDQWHQKT-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-] 3852563 CGNBQYFXGQHUQP-UHFFFAOYSA-N 183.123 1.085 5 50 ADBA in-vitro COc1ccc(F)cc1[N+](=O)[O-] 2560374 FWLPYISRFBKEKV-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro Cc1cc(C=O)cc([N+](=O)[O-])c1 34143078 JXJUTTOJJMSVBB-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cnc1F 2383999 CFKHKTLGKNBEPI-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro O=CNc1cccc([N+](=O)[O-])c1 5944441 QCDUUALALDXTAD-UHFFFAOYSA-N 166.136 1.163 5 50 ADBA in-vitro CC(=O)c1ccc(N)c([N+](=O)[O-])c1 35874423 VEIXVSPCPGWULB-UHFFFAOYSA-N 180.163 1.380 5 50 ADBA in-vitro C[N+]1(C)CC[C@@H]2CC[C@@H]21 1721846 LLIBUSWYOOJJOM-YUMQZZPRSA-N 126.223 1.245 5 50 ADBA O=[N+]([O-])CCc1ccc(F)cc1F 1535891183 BEUVKIJDAATYLY-UHFFFAOYSA-N 187.145 1.784 5 50 ADBA O=[N+]([O-])c1cnc2c(c1)CCCO2 1772572589 FYWKABJOCGXXPL-UHFFFAOYSA-N 180.163 1.315 5 50 ADBA NCc1ccc([N+](=O)[O-])cc1 1703646 ODVBBZFQPGORMJ-UHFFFAOYSA-N 152.153 1.054 5 50 ADBA in-vitro Nc1c([N+](=O)[O-])ccnc1Cl 44787406 WYVJCCYMXYVEMI-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] 4245385 KQRJATLINVYHEZ-UHFFFAOYSA-N 197.150 1.394 5 50 ADBA in-vitro O=C1CCc2c1cccc2[N+](=O)[O-] 6185515 QIIWEVWPOBNGLP-UHFFFAOYSA-N 177.159 1.724 5 50 ADBA CCNCc1ccccc1[N+](=O)[O-] 19386399 OBWDZKHLYOUOCP-UHFFFAOYSA-N 180.207 1.704 5 50 ADBA in-vitro NCc1cc(Cl)ccc1[N+](=O)[O-] 78675580 LTXOSXDGPYTXPL-UHFFFAOYSA-N 186.598 1.707 5 50 ADBA C[N+]1(C)C[C@H]2CC(=O)C[C@@H](C2)C1 100490009 SMPREGRCQGRGDD-RKDXNWHRSA-N 168.260 1.062 5 50 ADBA COc1cc(F)c([N+](=O)[O-])cc1N 88246990 FYSIGSQCZXQTIH-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA in-vitro Cc1c(N)cc(C(=O)O)cc1[N+](=O)[O-] 186659 LHZXZCIDEFEXPM-UHFFFAOYSA-N 196.162 1.184 5 50 ADBA in-vitro Nc1cncc2cc([N+](=O)[O-])ccc12 253532765 AHGKBXGLBSMGQH-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA COC(=O)Cc1ccc([N+](=O)[O-])cc1 1703609 PQRGTRBYCFLHKY-UHFFFAOYSA-N 195.174 1.310 5 50 ADBA Nc1c(F)cc(F)cc1[N+](=O)[O-] 3876123 WPEUQAOOZXFRKZ-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro CCc1ncccc1[N+](=O)[O-] 95635088 YXEDTXYNYNFZTM-UHFFFAOYSA-N 152.153 1.552 5 50 ADBA in-vitro O=[N+]([O-])c1c(F)ccc2c[nH]nc12 953126654 DULSSLFCOUQDNP-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA O=[N+]([O-])c1cc(F)cnc1Cl 8698159 SVVZGNAZMPSGMU-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])ccc1CO 8698187 IWXYLEKOKGKRTN-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA in-vitro Cc1cc(C(=O)O)c([N+](=O)[O-])cc1C 71792952 XGXYTCSDJADEGC-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA in-vitro C[N+](C)(C)Cc1cccc([N+](=O)[O-])c1 1555280 ZRSCTBANCBGJHT-UHFFFAOYSA-N 195.242 1.801 5 50 ADBA CC(=O)c1cccc([N+](=O)[O-])c1O 1703431 XQZGSPSZLMKODN-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro CC(=O)c1cccc(O)c1[N+](=O)[O-] 16322045 BZNKOXMJWOAKKK-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro CNc1c(N)cccc1[N+](=O)[O-] 96331972 GPWMVJVLTXLNTK-UHFFFAOYSA-N 167.168 1.219 5 50 ADBA O=Cc1cccc(C(=O)O)c1[N+](=O)[O-] 118144920 TVKKEQQMDSUJFW-UHFFFAOYSA-N 195.130 1.106 5 50 ADBA CN(C)[C@H]1CCCC[C@H]1[N+](C)(C)C 1744475 AJCHFTHMJBIOBH-WDEREUQCSA-N 185.335 1.565 5 50 ADBA O=C(O)CCc1ccccc1[N+](=O)[O-] 3845796 OARKUZWAGHQLSL-UHFFFAOYSA-N 195.174 1.612 5 50 ADBA in-vitro CC(C)CCn1cc([N+](=O)[O-])cn1 71978638 YVXROGVHFOYTNG-UHFFFAOYSA-N 183.211 1.837 5 50 ADBA O=[N+]([O-])c1cccc2nsnc12 1509875 IWQKAMJGVIHECB-UHFFFAOYSA-N 181.176 1.600 5 50 ADBA in-vivo O=[N+]([O-])c1[nH]c(Cl)nc1Cl 17042366 XJHISXIOFMXKNU-UHFFFAOYSA-N 181.966 1.625 5 50 ADBA Nc1ccc([N+](=O)[O-])c(Cl)n1 33886209 XVJLWPXRQLPUPT-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro COc1cc2c(cc1[N+](=O)[O-])NCC2 118295733 XTJWZASEAYSGRT-UHFFFAOYSA-N 194.190 1.571 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(F)n1 2383996 BCCWOQXQVNCXKC-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro CC(=O)c1ccc([N+](=O)[O-])cc1N 4240516 DCOHKZQTKLIIGK-UHFFFAOYSA-N 180.163 1.380 5 50 ADBA in-vitro O=[N+]([O-])c1cccc2cc(O)cnc12 200786254 UQLXAKHCXYHSNU-UHFFFAOYSA-N 190.158 1.849 5 50 ADBA O=[N+]([O-])c1c[nH]nc1C(F)F 223253387 JPRDJSYMLUZDRS-UHFFFAOYSA-N 163.083 1.256 5 50 ADBA CC(C)n1cc([N+](=O)[O-])c(O)n1 1857787411 NWQNVSRJBRENCY-UHFFFAOYSA-N 171.156 1.078 5 50 ADBA Cc1cnc(C)c([N+](=O)[O-])c1 14982738 ODTIWFKSSFPXNI-UHFFFAOYSA-N 152.153 1.607 5 50 ADBA Cn1cc2c([N+](=O)[O-])cccc2n1 1719162 NCSBJAWUBPTMRX-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro COc1ccc(C(=O)O)cc1[N+](=O)[O-] 154837 ANXBDAFDZSXOPQ-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro CC(=O)c1cc(C)cc([N+](=O)[O-])c1O 155944 XSHQMMIEZHWNAK-UHFFFAOYSA-N 195.174 1.811 5 50 ADBA in-vitro C[N+]1(C)CCc2ccccc2C1 1724270 MFJHQWVRHWINPZ-UHFFFAOYSA-N 162.256 1.819 5 50 ADBA O=[N+]([O-])c1ccc(C2OCCO2)cc1 39829 RIXYVXYKLYQCSM-UHFFFAOYSA-N 195.174 1.640 5 50 ADBA biogenic,in-vitro O=[N+]([O-])Cc1cccc(F)c1 142979878 CEEGZYQFCDHVSO-UHFFFAOYSA-N 155.128 1.602 5 50 ADBA Cc1n[nH]c2ccc([N+](=O)[O-])cc12 37625902 ZGDNJFXKELMVLS-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro CN(C)c1ccc(F)c([N+](=O)[O-])c1 139231237 OMHCRMSZWANSHP-UHFFFAOYSA-N 184.170 1.800 5 50 ADBA CCNc1cc([N+](=O)[O-])ccc1N 221338089 SLBRMWWEKLJSPO-UHFFFAOYSA-N 181.195 1.609 5 50 ADBA Cc1ccc2[nH]cnc2c1[N+](=O)[O-] 1505872 ZEVSEZPXSDDVOX-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro Nc1cc(Cl)cc([N+](=O)[O-])c1O 34782120 MHAFRUMLQZZSIN-UHFFFAOYSA-N 188.570 1.536 5 50 ADBA in-vitro C[N+]1(C)[C@H]2CCC[C@H]1COC2 101042362 UKVHFKFPBJSOAG-IUCAKERBSA-N 156.249 1.014 5 50 ADBA C[N+]12CCC(CC1)C1=C[C@@H](O)CC[C@@H]12 403627 YKFILFDJENPVBD-QCNJJUDDSA-N 194.298 1.306 5 50 ADBA O=[N+]([O-])c1ccc([C@H]2CO2)cc1 1020828 YKIUTLHCSNCTDZ-MRVPVSSYSA-N 165.148 1.666 5 50 ADBA in-vivo Cc1cc([N+](=O)[O-])cc(C=O)c1F 261493894 LNNWMBXTZOPMDG-UHFFFAOYSA-N 183.138 1.855 5 50 ADBA COc1ccc(/C=C/[N+](=O)[O-])cc1 74770 JKQUXSHVQGBODD-VOTSOKGWSA-N 179.175 1.943 5 50 ADBA endogenous,in-man Cc1cc([N+](=O)[O-])ccc1O 25723409 KDQPMQNHVQVVMR-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro CNc1cc(C(=O)O)cc([N+](=O)[O-])c1 71774297 ZPVQUACUWKFQRQ-UHFFFAOYSA-N 196.162 1.335 5 50 ADBA Cc1cc(N(C)C)ncc1[N+](=O)[O-] 144083872 DYWNXEBDWSWLEH-UHFFFAOYSA-N 181.195 1.364 5 50 ADBA C[N+](C)(C)[C@@H]1C=CC=CCOC1 1721985 WQICEQJLMSHNLV-SNVBAGLBSA-N 168.260 1.204 5 50 ADBA Cc1[nH]nc(C(F)(F)F)c1[N+](=O)[O-] 5212049 MZVQCTATYLWIQA-UHFFFAOYSA-N 195.100 1.645 5 50 ADBA in-vitro Cc1cc(F)c(C(=O)O)cc1[N+](=O)[O-] 39084649 UBAWHHHAAFFKGE-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA in-vitro Cc1ccc(NN)c([N+](=O)[O-])c1 4237424 COWMLQSNMSCSOL-UHFFFAOYSA-N 167.168 1.189 5 50 ADBA in-vitro Nc1c(F)ccc([N+](=O)[O-])c1F 71769220 NNPVREQNMNPOAK-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(F)c2c1CC[C@@H]2O 2088617670 JTAIKGLZSDKJRJ-QMMMGPOBSA-N 197.165 1.714 5 50 ADBA Nc1c(F)cc([N+](=O)[O-])cc1F 4348057 WDFFWUVELIFAOP-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro CNc1cc(C(=O)O)ccc1[N+](=O)[O-] 39084219 QIUGFPYSYODUEE-UHFFFAOYSA-N 196.162 1.335 5 50 ADBA O=CNc1ccccc1[N+](=O)[O-] 4774924 BZYJTNRRZYHLMH-UHFFFAOYSA-N 166.136 1.163 5 50 ADBA O=[N+]([O-])c1cccc2c[nH]nc12 6473422 PQCAUHUKTBHUSA-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA investigational CN(C)C(=O)c1ccccc1[N+](=O)[O-] 4761420 KPQZUMNGHBYUOI-UHFFFAOYSA-N 194.190 1.297 5 50 ADBA Nc1cc(O)c([N+](=O)[O-])cc1Cl 167566402 ASVFTWPXJQDTRE-UHFFFAOYSA-N 188.570 1.536 5 50 ADBA CC(C)(O)c1ccc([N+](=O)[O-])cc1 3165701 BCERWYLBCDENFU-UHFFFAOYSA-N 181.191 1.822 5 50 ADBA in-vitro CC(C)Cn1nccc1[N+](=O)[O-] 12397109 KZODIDKKGGEMGR-UHFFFAOYSA-N 169.184 1.447 5 50 ADBA Cc1ccnc([N+](=O)[O-])c1 13281507 VGENLLAEDBMNSC-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 17105710 HSEDDANFWUMVCY-UHFFFAOYSA-N 178.151 1.053 5 50 ADBA in-vitro Cc1c(N)ccc(F)c1[N+](=O)[O-] 306151070 GJHODSBFZHTEKK-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2023192 YCTNWTBGSOCMRO-UHFFFAOYSA-N 196.118 1.316 5 50 ADBA in-vitro C[C@H](CN)Nc1ccc([N+](=O)[O-])cc1 3880424 QTKMXHBBADTCNZ-SSDOTTSWSA-N 195.222 1.354 5 50 ADBA Cc1sc([N+](=O)[O-])cc1[N+](=O)[O-] 5158802 HHKDVGAWTPBACD-UHFFFAOYSA-N 188.164 1.873 5 50 ADBA in-vitro CC(=O)Nc1nccc(C)c1[N+](=O)[O-] 44831386 GUFBUIQPFAKZPM-UHFFFAOYSA-N 195.178 1.257 5 50 ADBA in-vitro Cc1ccc(O)c([N+](=O)[O-])n1 89224378 WZMGQHIBXUAYGS-UHFFFAOYSA-N 154.125 1.004 5 50 ADBA Cc1cc([N+](=O)[O-])c(C)cc1C(=O)O 1694604 WQJLIVQRJOLTMH-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA Nc1nccc(Cl)c1[N+](=O)[O-] 22048227 DIRINUVNYFAWQF-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro CCN1CCC(=C[N+](=O)[O-])CC1 675062608 JKJZGEJUAMSBCH-UHFFFAOYSA-N 170.212 1.263 5 50 ADBA C[S@@](=O)c1ccccc1[N+](=O)[O-] 173127 JECOZFMBKQJNDT-LBPRGKRZSA-N 185.204 1.332 5 50 ADBA COc1cc(CO)ccc1[N+](=O)[O-] 2567942 AADYWCBPJZAJNU-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)cc1 34828682 BTJIUGUIPKRLHP-UHFFFAOYSA-N 139.110 1.300 5 50 ADBA endogenous,in-man O=[N+]([O-])c1cccc2c1CCO2 95742668 IPDYBJXZGGSEJL-UHFFFAOYSA-N 165.148 1.530 5 50 ADBA O=Cc1ccc(O)c([N+](=O)[O-])c1 562702 YTHJCZRFJGXPTL-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vivo Nc1ccc([N+](=O)[O-])c2cnccc12 6996037 QKGFZLNYZKMJBQ-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro Cc1cc(C(=O)O)cc([N+](=O)[O-])c1C 35333638 YHDUXEJQMSMFFI-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA in-vitro Cc1cc2[nH]ncc2cc1[N+](=O)[O-] 1392913 JNIDNZRLKGLAOP-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)OCCO2 3897607 MQSGCURTKWHBRX-UHFFFAOYSA-N 181.147 1.366 5 50 ADBA in-vitro NCCc1ccccc1[N+](=O)[O-] 20154426 UIYSCXBCJJMZQR-UHFFFAOYSA-N 166.180 1.096 5 50 ADBA in-vitro O=[N+]([O-])c1ccoc1 39438371 MUXGHJAVVZIQNB-UHFFFAOYSA-N 113.072 1.188 5 50 ADBA CNc1ncc(Cl)cc1[N+](=O)[O-] 19899158 SYQICYDWDKINOO-UHFFFAOYSA-N 187.586 1.685 5 50 ADBA Cc1c(N)ccc([N+](=O)[O-])c1F 14985734 NFWVJCKMVIGVLF-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA COC(=O)c1c(F)cccc1[N+](=O)[O-] 14986297 MJARIPZQSNWYMM-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro Nc1c([N+](=O)[O-])ccc(F)c1F 4255263 DIPGYZSCGXBTEU-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1C 5018780 QOZMIJZYJZQOBV-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c2[nH]ncc12 8729916 IALDSOZYXPLUMA-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro C[N+]1(C)CC[C@H]2CC[C@@H]21 1721844 LLIBUSWYOOJJOM-SFYZADRCSA-N 126.223 1.245 5 50 ADBA CCCCCC[N+](=O)[O-] 2031533 FEYJIFXFOHFGCC-UHFFFAOYSA-N 131.175 1.843 5 50 ADBA endogenous,in-man Cc1nc(Cl)nc(O)c1[N+](=O)[O-] 2518306 GNXOLOBSWUZOEF-UHFFFAOYSA-N 189.558 1.052 5 50 ADBA in-vitro C[C@@H](O)c1ccc([N+](=O)[O-])cc1 2571406 CRJFHXYELTYDSG-ZCFIWIBFSA-N 167.164 1.648 5 50 ADBA in-vitro COCCOc1ccccc1[N+](=O)[O-] 33605169 DJTJGNJDSIOAOS-UHFFFAOYSA-N 197.190 1.620 5 50 ADBA C[N@@+]1(c2ccccc2)CCC(N)=N1 245225987 CQFCMCLJTPNDPB-ZDUSSCGKSA-N 176.243 1.300 5 50 ADBA COc1c(C)cccc1[N+](=O)[O-] 1664514 OCSBJPCSPDPAQL-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro CN1C[C@H]([N+](C)(C)C)CCCCC1=O 71786977 LUVOOERLFFWHJH-SNVBAGLBSA-N 199.318 1.094 5 50 ADBA Cc1cc(C(=O)O)c([N+](=O)[O-])cc1F 201119138 BWJJUMLZJPARDV-UHFFFAOYSA-N 199.137 1.741 5 50 ADBA Cn1cc2cc([N+](=O)[O-])ccc2n1 161996 IWPBWVZEOVCZRX-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro CC(C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-] 1587891 DWCLXOREGBLXTD-UHFFFAOYSA-N 176.172 1.097 5 50 ADBA in-vitro CC(=O)Cc1ccccc1[N+](=O)[O-] 2518682 VBJUDFZTSGSTGO-UHFFFAOYSA-N 179.175 1.726 5 50 ADBA in-vitro CC[C@](C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-] 3070204 IXKCCSQYPRNQNI-ZETCQYMHSA-N 190.199 1.487 5 50 ADBA CCOc1ccc([N+](=O)[O-])cn1 335039 LYDVDLYMQVSLQD-UHFFFAOYSA-N 168.152 1.389 5 50 ADBA in-vitro O=[N+]([O-])c1n[nH]cc1Br 1049759 WEQNDTYVEHMMMX-UHFFFAOYSA-N 191.972 1.080 5 50 ADBA in-vitro Cn1ncc2ccc([N+](=O)[O-])cc21 1719161 TUWHJYXETJCCPJ-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro Cc1cc(F)c(CO)cc1[N+](=O)[O-] 169725191 WRXKWGJLBYHGKE-UHFFFAOYSA-N 185.154 1.535 5 50 ADBA O=[N+]([O-])c1cccc2nc(O)[nH]c12 2519672 NEXYNHXFBYYIHI-UHFFFAOYSA-N 179.135 1.177 5 50 ADBA O=c1oc2ccccc2cc1[N+](=O)[O-] 92004 YTCVPEZECJYZRK-UHFFFAOYSA-N 191.142 1.701 5 50 ADBA Cc1nc2ccccn2c1[N+](=O)[O-] 39209288 LVRXPSDDBLDBJT-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA in-vitro NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 63793 QDGXIICOKBFSQX-SNAWJCMRSA-N 192.174 1.093 5 50 ADBA C[N+](C)(C)Cc1ccc([N+](=O)[O-])o1 6469479 ZKTCGXNYSXMNME-UHFFFAOYSA-N 185.203 1.394 5 50 ADBA CC(=O)c1ccc(O)c([N+](=O)[O-])c1O 91302236 UIRUEYNZXBZBDK-UHFFFAOYSA-N 197.146 1.209 5 50 ADBA in-vitro CSc1cncc([N+](=O)[O-])c1 261493802 JQXVFOZKSKMGRU-UHFFFAOYSA-N 170.193 1.712 5 50 ADBA Cn1ncc2cc([N+](=O)[O-])ccc21 478190 JHPMRMBDPINHAV-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1ccccc1[N+](=O)[O-] 2169230 INIQBBVYBCGEIX-AATRIKPKSA-N 194.146 1.842 5 50 ADBA Cc1cc(N)c([N+](=O)[O-])cc1F 39133641 CLZLGCQRNQTZRE-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])cc1C(=O)O 571005 CVZUPRDSNNBZLH-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(O)c1 34779362 UEGCRFNWTGYVKX-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro COC(=O)c1ccc(O)c([N+](=O)[O-])c1 34914538 GNCWCTBHZCBXGL-UHFFFAOYSA-N 197.146 1.087 5 50 ADBA in-vitro O=[N+]([O-])c1cc2c(Cl)nccn2c1 30678436 OTWHUHVUMPHTOY-UHFFFAOYSA-N 197.581 1.896 5 50 ADBA O=C(O)Cc1cc(F)ccc1[N+](=O)[O-] 12359148 HOWBVGXZCYNPOU-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro CNc1ccccc1[N+](=O)[O-] 3861395 KFBOUJZFFJDYTA-UHFFFAOYSA-N 152.153 1.637 5 50 ADBA in-vitro O=C(O)Cc1cc([N+](=O)[O-])ccc1F 4666689 IDWINSICBKJFBK-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro Cc1noc2c([N+](=O)[O-])c(O)ccc12 45028236 JLAOOOJONJCBFE-UHFFFAOYSA-N 194.146 1.750 5 50 ADBA COc1cccc(C=O)c1[N+](=O)[O-] 1697565 GDTUACILWWLIJF-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 33285288 QDGXIICOKBFSQX-PLNGDYQASA-N 192.174 1.093 5 50 ADBA COc1ccc(F)c(F)c1[N+](=O)[O-] 220100921 QWHFCBJLLRPNGK-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA CN(C)c1ccc(N)c([N+](=O)[O-])c1 4262440 COWGRITUYIECBW-UHFFFAOYSA-N 181.195 1.243 5 50 ADBA CSc1ncc([N+](=O)[O-])n1C 5116578 ZQLIPHIEXOWXGX-UHFFFAOYSA-N 173.197 1.050 5 50 ADBA O=Cc1c(F)cccc1[N+](=O)[O-] 21298200 LMTKLMMRJDNPFT-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro CN1CCc2cc([N+](=O)[O-])ccc2C1 218744248 LXNOPQKFWGOYFU-UHFFFAOYSA-N 192.218 1.583 5 50 ADBA Cc1cc([N+](=O)[O-])ncc1F 200922723 YLCIQIYVLNLSKV-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA NCc1ccccc1[N+](=O)[O-] 1606108 PYYRNLDFMZVKCV-UHFFFAOYSA-N 152.153 1.054 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)ccc1O 36072257 ZHRLVDHMIJDWSS-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro CNc1ncc(C)cc1[N+](=O)[O-] 39956524 CDLFFKOFUWNPCC-UHFFFAOYSA-N 167.168 1.340 5 50 ADBA in-vitro CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 4257567 DKZFYTVXALXRSH-UHFFFAOYSA-N 194.190 1.578 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1[S@@](=O)O 5368662 BOJXVYVIGCXZJY-UHFFFAOYSA-N 187.176 1.175 5 50 ADBA CC(=O)Nc1ccc([N+](=O)[O-])cc1 16321384 NQRLPDFELNCFHW-UHFFFAOYSA-N 180.163 1.553 5 50 ADBA CNCc1cccc([N+](=O)[O-])c1 161979 NTPAPKLGADEFAM-UHFFFAOYSA-N 166.180 1.314 5 50 ADBA in-vitro CC(=O)c1cc([N+](=O)[O-])ccc1F 163314 BCXOSCQTHVTUET-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA in-vitro O=[N+]([O-])c1ccc([C@@H]2CO2)cc1 1020829 YKIUTLHCSNCTDZ-QMMMGPOBSA-N 165.148 1.666 5 50 ADBA in-vivo Nc1cnc2cc([N+](=O)[O-])ccc2c1 215773364 HUJJWUMLUCSAAI-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA COc1cc([N+](=O)[O-])c(F)cc1F 1706170 UWQOVGHBTZMFAF-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro CSC(=C[N+](=O)[O-])SC 1763921 NXGHEDHQXXXTTP-UHFFFAOYSA-N 165.239 1.788 5 50 ADBA in-vitro Nc1cc(F)c([N+](=O)[O-])cc1Cl 4334594 LPVHTLPXIISIRD-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(OCC2CC2)nc1 139853114 IZMMKBJUWXJPJI-UHFFFAOYSA-N 194.190 1.779 5 50 ADBA O=Cc1[nH]nc2ccc([N+](=O)[O-])cc12 14983545 UVUPPLXBIXJRKD-UHFFFAOYSA-N 191.146 1.284 5 50 ADBA in-vitro O=[N+]([O-])c1ccnc(Cl)c1F 67172216 RUPPDEJTTHOVGP-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA COc1ccc([N+](=O)[O-])c(CO)c1 95830766 SBAKUYPHABTDLL-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA CNc1ccncc1[N+](=O)[O-] 20370190 JFOMNWVBOHVZGU-UHFFFAOYSA-N 153.141 1.032 5 50 ADBA COc1cc(O)ccc1[N+](=O)[O-] 38540276 VDQSACYMBGQMFC-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2nccn2c1 337567 RXZZQEFTZIHXRI-UHFFFAOYSA-N 163.136 1.243 5 50 ADBA in-vitro O=[N+]([O-])c1cncc(F)c1 66327856 LBPCMDALPLHBTE-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro COc1cc(OC)c([N+](=O)[O-])cc1C 82017021 LHERHZJOVSKYSF-UHFFFAOYSA-N 197.190 1.920 5 50 ADBA C[S@@](=O)Cc1cccc([N+](=O)[O-])c1 150337881 UWKGKAZBUKEURD-ZDUSSCGKSA-N 199.231 1.473 5 50 ADBA in-vitro CCC(=O)CC[C@@H](C)[N+](=O)[O-] 95496172 ZYKAXLRSLQVORW-ZCFIWIBFSA-N 159.185 1.411 5 50 ADBA C[N+]1(C)[C@@]23C=CC[C@@]21CCC3 101092683 DIXJAAYIBYDZPX-NXEZZACHSA-N 150.245 1.698 5 50 ADBA O=C(O)/C=C/c1ccccc1[N+](=O)[O-] 154472 BBQDLDVSEDAYAA-AATRIKPKSA-N 193.158 1.693 5 50 ADBA biogenic,in-vitro O=[N+]([O-])c1ccc2c(c1)CCCN2 3888997 ASVYHMUYLBMSKW-UHFFFAOYSA-N 178.191 1.953 5 50 ADBA in-vitro Cc1ncn(CC2CC2)c1[N+](=O)[O-] 261508471 SVXYYAISAFZAHU-UHFFFAOYSA-N 181.195 1.510 5 50 ADBA Cc1cncc([N+](=O)[O-])c1 15886705 OQWXZZCTJZOSGH-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro CCOC(=O)c1cncc([N+](=O)[O-])c1 95635212 DMCBVKXZBZVCTD-UHFFFAOYSA-N 196.162 1.167 5 50 ADBA in-vitro COC(=O)c1cccc([N+](=O)[O-])c1C 2149906 CRZGFIMLHZTLGT-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA O=[N+]([O-])c1ccc(CNC2CC2)cc1 16401536 FJXSRARKJWZIOM-UHFFFAOYSA-N 192.218 1.847 5 50 ADBA in-vitro O=[N+]([O-])c1cc(C2CC2)n[nH]1 12396626 CTSMOTWWAYPQLU-UHFFFAOYSA-N 153.141 1.195 5 50 ADBA COc1ccc([N+](=O)[O-])c(OC)n1 111505 HZVWNFPJKCNELX-UHFFFAOYSA-N 184.151 1.007 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])ccc1NC=O 4582893 VWPYMBWXPWWLGJ-UHFFFAOYSA-N 180.163 1.472 5 50 ADBA O=Cc1ccc([N+](=O)[O-])c(F)c1 5427020 BWUIGISQVCIQBT-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro Cc1cccnc1[N+](=O)[O-] 13234487 NNHSGPKSSZLCGT-UHFFFAOYSA-N 138.126 1.298 5 50 ADBA in-vitro CC(=O)OCc1ccc([N+](=O)[O-])cc1 347490 QNXQLPUEZYZYFC-UHFFFAOYSA-N 195.174 1.658 5 50 ADBA Cn1ncc2c([N+](=O)[O-])cccc21 1719163 FGSQGIYFGWQTRE-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CNCCC2 27550426 SMAZDNVHMACXLU-UHFFFAOYSA-N 192.218 1.631 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1O 34719541 IQUPABOKLQSFBK-UHFFFAOYSA-N 139.110 1.300 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)cc2cn[nH]c12 44185520 UEKZIDSQISFLMJ-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1 307400782 AJSOPJXXBUQVLA-UHFFFAOYSA-N 194.190 1.311 5 50 ADBA O=[N+]([O-])c1cc(O)ccc1F 2525422 JSRMPTJZAJUPGZ-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro CCC[N+](C)(CC)CC 3199978 KSRKBDUROZKZBR-UHFFFAOYSA-N 130.255 1.883 5 50 ADBA in-vitro NCc1ccc(F)cc1[N+](=O)[O-] 44249267 CSYCKMWCZAJPHH-UHFFFAOYSA-N 170.143 1.193 5 50 ADBA O=[N+]([O-])c1ccc(CCO)cc1 1510307 IKMXRUOZUUKSON-UHFFFAOYSA-N 167.164 1.130 5 50 ADBA in-vitro COCOc1cc([N+](=O)[O-])ccc1N 114523291 SUYQWNRVDAAEJI-UHFFFAOYSA-N 198.178 1.160 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])ccc1NCCN 7375548 DHFJJVFAXKMHDX-UHFFFAOYSA-N 195.222 1.274 5 50 ADBA O=[N+]([O-])c1ccc(S)cc1 1691710 AXBVSRMHOPMXBA-UHFFFAOYSA-N 155.178 1.884 5 50 ADBA in-vitro O=[N+]([O-])c1c(F)cc(O)cc1F 44564218 DDNBXAHODWXJKM-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA Cc1ccc(O)c([N+](=O)[O-])c1 20230664 SYDNSSSQVSOXTN-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-man CC(C)Oc1ccc([N+](=O)[O-])cn1 49002085 IPNGFHRHLNQRKO-UHFFFAOYSA-N 182.179 1.777 5 50 ADBA Cc1ccc(C[N+](C)(C)C)o1 393133 KOWVJDFMEZKDDT-UHFFFAOYSA-N 154.233 1.794 5 50 ADBA biogenic,in-vitro O=Cc1ccc([N+](=O)[O-])o1 152275 SXINBFXPADXIEY-UHFFFAOYSA-N 141.082 1.000 5 50 ADBA in-vitro COc1ccccc1[N+](=O)[O-] 1686985 CFBYEGUGFPZCNF-UHFFFAOYSA-N 153.137 1.603 5 50 ADBA in-vitro CNC(=O)Nc1cccc([N+](=O)[O-])c1 2164766 VAKORNMFQJLMTJ-UHFFFAOYSA-N 195.178 1.346 5 50 ADBA in-vitro O=c1ccoc2ccc([N+](=O)[O-])cc12 381740 ORWADBVBOPTYQT-UHFFFAOYSA-N 191.142 1.701 5 50 ADBA in-vitro C[N+](C)(C)Cc1ccccc1 1555236 YOUGRGFIHBUKRS-UHFFFAOYSA-N 150.245 1.893 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])cc2[nH]c(=O)oc12 307041562 LCBRRSDZYKGGDM-UHFFFAOYSA-N 194.146 1.338 5 50 ADBA COC(=O)c1cccc(C)c1[N+](=O)[O-] 163618 NJHDBIXFFZVJGZ-UHFFFAOYSA-N 195.174 1.690 5 50 ADBA in-vitro CCc1ccc(C=O)cc1[N+](=O)[O-] 2522284 PQNRTCSIGGYXNB-UHFFFAOYSA-N 179.175 1.970 5 50 ADBA O=Cc1cc(F)c(F)c([N+](=O)[O-])c1 258078524 VJKNMTQRGLQIHU-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA CC(=O)c1cc(O)ccc1[N+](=O)[O-] 32205726 PHQWMZYOGOPUIN-UHFFFAOYSA-N 181.147 1.503 5 50 ADBA in-vitro Nc1ccc(Cl)c([N+](=O)[O-])c1 1670001 FOHHWGVAOVDVLP-UHFFFAOYSA-N 172.571 1.830 5 50 ADBA Cn1ncc2cccc([N+](=O)[O-])c21 6072328 HLSOBULFCLIDKE-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro COc1ccccc1/C=C\[N+](=O)[O-] 8642285 FVKSRNVYJXQCLK-SREVYHEPSA-N 179.175 1.943 5 50 ADBA O=[N+]([O-])c1cccc(O)c1F 39088722 QZOGSUCWBIPKDC-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro NCc1ccc(F)c([N+](=O)[O-])c1 44248935 UALXEVNNBBBYCG-UHFFFAOYSA-N 170.143 1.193 5 50 ADBA in-vitro Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 4242521 VRJKEIWZSOHDOH-UHFFFAOYSA-N 190.561 1.970 5 50 ADBA in-vitro CC(C)=C[N+](=O)[O-] 1575618 VXMMUDFDTWWSQT-UHFFFAOYSA-N 101.105 1.187 5 50 ADBA in-vitro COC(=O)Nc1ccccc1[N+](=O)[O-] 5064206 WOOLAWXOCLBPTI-UHFFFAOYSA-N 196.162 1.773 5 50 ADBA CC(=O)c1cc(F)ccc1[N+](=O)[O-] 21298671 VPAGKEZJDCSVOW-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA in-vitro COC(=O)c1cc(F)cc([N+](=O)[O-])c1 35333519 BMUQWLIUUPZAOK-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro Cc1nn2c(c1[N+](=O)[O-])NC[C@@H](C)C2 1875391489 CYVHHAKCUVBVDW-RXMQYKEDSA-N 196.210 1.161 5 50 ADBA CC[N@@+]12CCCC[C@@H]1[C@H](CO)CCC2 245311031 LRRPUHCKSUVOBQ-XQQFMLRXSA-N 198.330 1.778 5 50 ADBA biogenic CCCC(=O)OCC[N+](C)(C)C 1696214 YRIBGSCJIMXMPJ-UHFFFAOYSA-N 174.264 1.036 5 50 ADBA endogenous,in-man CCNc1ncccc1[N+](=O)[O-] 21160883 DDBQQNCEHLMYGB-UHFFFAOYSA-N 167.168 1.422 5 50 ADBA in-vitro C[N+](C)(C)CC1CC1 1699083 ZLMGSEMYQRJWCM-UHFFFAOYSA-N 114.212 1.103 5 50 ADBA Cc1c([N+](=O)[O-])ccc2cn[nH]c12 89200463 YKHCFVZVZBXQBH-UHFFFAOYSA-N 177.163 1.780 5 50 ADBA in-vitro Cc1c(CO)cccc1[N+](=O)[O-] 2567947 QJANIQCEDPJNLO-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro CC(C)n1cc([N+](=O)[O-])cn1 12398970 CBSSFOTWGVIHFX-UHFFFAOYSA-N 155.157 1.372 5 50 ADBA in-vitro C[C@@H]1CNc2cc([N+](=O)[O-])ccc2O1 83254226 WTAGNTAYRIAHAZ-ZCFIWIBFSA-N 194.190 1.788 5 50 ADBA O=[N+]([O-])c1cccc2nonc12 1764267 ZCVAGTPWBAZXAL-UHFFFAOYSA-N 165.108 1.131 5 50 ADBA O=[N+]([O-])c1cccc(CCO)c1 2539362 PWZWTSYUZQZFKE-UHFFFAOYSA-N 167.164 1.130 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1NC=O 2164965 AGEISPGOHDJZHN-UHFFFAOYSA-N 180.163 1.472 5 50 ADBA Nc1ccc([N+](=O)[O-])c2ccncc12 38220774 VDIJWKAJKMDAKC-UHFFFAOYSA-N 189.174 1.725 5 50 ADBA in-vitro CCCn1nccc1[N+](=O)[O-] 12395737 DYVUOKAQZXKGML-UHFFFAOYSA-N 155.157 1.201 5 50 ADBA NC(=S)c1cccc([N+](=O)[O-])c1 36378507 HDQCHDWHHGEXQE-UHFFFAOYSA-N 182.204 1.229 5 50 ADBA in-vitro O=Cc1cc(F)ccc1[N+](=O)[O-] 336266 KKAFVHUJZPVWND-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro COc1ccc(C=O)c([N+](=O)[O-])c1 1613167 KLTDQLIGNSBZPO-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro COc1ccc(CO)cc1[N+](=O)[O-] 2583611 XJVDLGZUYYAXLS-UHFFFAOYSA-N 183.163 1.096 5 50 ADBA Cc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 19799860 KSHJAFFDLKPUMT-UHFFFAOYSA-N 198.134 1.517 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CNCC2 13686846 YPRWYZSUBZXORL-UHFFFAOYSA-N 178.191 1.241 5 50 ADBA in-vivo Cc1cc([N+](=O)[O-])c(C)cc1O 20280883 DSWZKAODNLLINU-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro Cc1ccc(O)cc1[N+](=O)[O-] 1672516 BQEXDUKMTVYBRK-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro COc1c(F)cc(F)cc1[N+](=O)[O-] 75880525 JLIOVJNEVORVCL-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA CNc1ccc([N+](=O)[O-])cc1C(C)=O 95934507 YKFLNXHRTOOEQH-UHFFFAOYSA-N 194.190 1.839 5 50 ADBA CCOc1ccc(O)cc1[N+](=O)[O-] 162103337 HULHXYZRPSYIKR-UHFFFAOYSA-N 183.163 1.699 5 50 ADBA Cc1cc2c(cc1[N+](=O)[O-])OCO2 4532722 HSJXVJRZFPZLSP-UHFFFAOYSA-N 181.147 1.632 5 50 ADBA in-vitro NC(=O)Nc1ccc([N+](=O)[O-])cc1 5339729 LXXTVGKSGJADFU-UHFFFAOYSA-N 181.151 1.085 5 50 ADBA in-vitro Cc1cc(F)c(N)cc1[N+](=O)[O-] 38856117 OUNUNDAIKLDJAY-UHFFFAOYSA-N 170.143 1.625 5 50 ADBA in-vitro Cc1ncc([N+](=O)[O-])cc1Cl 71256142 KEQYIUZGVFBSNL-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro Nc1cccc([N+](=O)[O-])c1 47987 XJCVRTZCHMZPBD-UHFFFAOYSA-N 138.126 1.177 5 50 ADBA in-vitro Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O 345546 OVWSQNZKIRGLMK-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA in-vitro CNc1ccc([N+](=O)[O-])cc1C 5419650 NJYYBTRBCMPYCJ-UHFFFAOYSA-N 166.180 1.945 5 50 ADBA in-vitro NCc1c(Cl)cccc1[N+](=O)[O-] 31949229 SPLDTOFRTGVWKF-UHFFFAOYSA-N 186.598 1.707 5 50 ADBA Cn1nc(N)c2cc([N+](=O)[O-])ccc21 72209465 WVCBDQKSMZLREY-UHFFFAOYSA-N 192.178 1.064 5 50 ADBA in-vitro Cc1c([N+](=O)[O-])ccc2c1CCN2 95496164 XZXMLIIFZFXIHW-UHFFFAOYSA-N 178.191 1.871 5 50 ADBA O=[N+]([O-])c1c(F)ccc(F)c1O 38434103 LDAORTVYRIJMQH-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro CNc1cc(C)ccc1[N+](=O)[O-] 39133545 OZYNRMKNGCFDCP-UHFFFAOYSA-N 166.180 1.945 5 50 ADBA COc1cc([N+](=O)[O-])cc(O)c1OC 91296993 OHKOOWDMYYNFBX-UHFFFAOYSA-N 199.162 1.318 5 50 ADBA O=Cc1c[nH]c2cccc([N+](=O)[O-])c12 2541456 CGXVTWQTGQAMMX-UHFFFAOYSA-N 190.158 1.889 5 50 ADBA in-vitro Cc1c([N+](=O)[O-])cc[n+]([O-])c1Cl 3847024 HFWNDVWSHMKOQY-UHFFFAOYSA-N 188.570 1.190 5 50 ADBA Cc1cc([N+](=O)[O-])cc(C)c1O 19850820 FNORUNUDZNWQFF-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA in-vitro Cc1ccc(CC(=O)O)cc1[N+](=O)[O-] 20439826 WZNKBDUWSKJHEG-UHFFFAOYSA-N 195.174 1.530 5 50 ADBA in-vitro O=[N+]([O-])c1c[nH]nc1-c1ccccn1 42415188 YRKGZAPVVJYLGV-UHFFFAOYSA-N 190.162 1.380 5 50 ADBA in-vitro COC(=O)c1ccc([N+](=O)[O-])cc1 556156 YOJAHJGBFDPSDI-UHFFFAOYSA-N 181.147 1.381 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)nc1Cl 91297655 DOWNGLMVNBZIBG-UHFFFAOYSA-N 174.543 1.349 5 50 ADBA in-vitro COc1ccc(O)cc1[N+](=O)[O-] 8700313 AADXAMFLYDYIFS-UHFFFAOYSA-N 169.136 1.309 5 50 ADBA in-vitro O=[N+]([O-])c1ccnc(C2CC2)c1 114065479 ZWGBCDQRQJOMMV-UHFFFAOYSA-N 164.164 1.867 5 50 ADBA in-vitro Cc1cc(C(=O)O)c(C)c([N+](=O)[O-])c1 1752319 CXGZFDGAQVAGHA-UHFFFAOYSA-N 195.174 1.910 5 50 ADBA in-vitro Cc1nc(N)c([N+](=O)[O-])cc1Cl 21981860 FRXAFHSNZJIEII-UHFFFAOYSA-N 187.586 1.534 5 50 ADBA CNCc1ccc([N+](=O)[O-])cc1 161980 JLKRJHPQNYVSGM-UHFFFAOYSA-N 166.180 1.314 5 50 ADBA in-vitro Cc1cc(N)c([N+](=O)[O-])cc1C 3860416 PINGKGKKUSYUAW-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA C1CC[N+]2(C1)CCCC2 1646411 NZSICTQUKULOSA-UHFFFAOYSA-N 126.223 1.391 5 50 ADBA in-vitro CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4014521 LQZGUJSFLJIJKA-UHFFFAOYSA-N 194.190 1.862 5 50 ADBA in-vitro O=[N+]([O-])c1cnn2ccnc(Cl)c12 1857786995 VRRQFGOKAKDKJN-UHFFFAOYSA-N 198.569 1.291 5 50 ADBA COCOc1ccccc1[N+](=O)[O-] 34572493 ZYFXGJJIOCDRQO-UHFFFAOYSA-N 183.163 1.578 5 50 ADBA Cc1c(N)cccc1[N+](=O)[O-] 157564 HFCFJYRLBAANKN-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro O=[N+]([O-])c1ccnc(Cl)c1 151260 LIEPVGBDUYKPLC-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro Cc1cccc(C(=O)O)c1[N+](=O)[O-] 1733813 DGDAVTPQCQXLGU-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA NNc1cc(Cl)ccc1[N+](=O)[O-] 4108265 PZJAAWBBWCBSNZ-UHFFFAOYSA-N 187.586 1.534 5 50 ADBA in-vitro O=[N+]([O-])c1cnc(F)cc1F 72265958 OLPMWQXRTRVQRS-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA in-vitro Nc1ccc(F)cc1[N+](=O)[O-] 4261952 PUGDHSSOXPHLPT-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro COc1ccc([N+](=O)[O-])nc1C 21982010 UOKVFMZISSJYNM-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro O=Cc1cc([N+](=O)[O-])ccc1O 49538688 IHFRMUGEILMHNU-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA in-vitro O=Cc1ccc([N+](=O)[O-])cc1 164513 BXRFQSNOROATLV-UHFFFAOYSA-N 151.121 1.407 5 50 ADBA in-vitro,metabolite COc1cc(N)c([N+](=O)[O-])cc1OC 3888821 LDAJFLKWQVYIFG-UHFFFAOYSA-N 198.178 1.194 5 50 ADBA in-vitro NCCCc1ccc([N+](=O)[O-])cc1 19726941 WEAIFQNRMFIGTR-UHFFFAOYSA-N 180.207 1.486 5 50 ADBA in-vitro O=Cc1ncc([N+](=O)[O-])cc1Cl 96028576 JHZABTLKWJQLTR-UHFFFAOYSA-N 186.554 1.456 5 50 ADBA in-vitro CN(N=O)c1ccc([N+](=O)[O-])cc1 5319600 AMTRFSFECFPSHF-UHFFFAOYSA-N 181.151 1.712 5 50 ADBA Cc1ccc(C=O)c([N+](=O)[O-])c1 32189549 FDYADQPZUDULNK-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(SCCO)cc1 2528162 RVYZERYSWJUUJY-UHFFFAOYSA-N 199.231 1.679 5 50 ADBA O=[N+]([O-])c1ccc(OC(F)F)nc1 114087770 WLHADOSXRICWAB-UHFFFAOYSA-N 190.105 1.591 5 50 ADBA in-vitro NCc1cc(F)c(F)c([N+](=O)[O-])c1 257986951 FDSDNWNHVXVJDP-UHFFFAOYSA-N 188.133 1.332 5 50 ADBA CNc1c(C=O)cccc1[N+](=O)[O-] 694985154 MTDDXWJEDPTIEM-UHFFFAOYSA-N 180.163 1.449 5 50 ADBA COc1ccc([N+](=O)[O-])c(C)c1 1670353 RTZOGYCMIMOVHU-UHFFFAOYSA-N 167.164 1.912 5 50 ADBA in-vitro O=[N+]([O-])c1c[nH]c2ncccc12 14007927 DTLVPICXPRRMOQ-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vitro Cc1cc(F)c(O)cc1[N+](=O)[O-] 95217840 VYCDLDNAWPSNMM-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA COc1ccc([N+](=O)[O-])c(F)c1F 16158609 KDXIYOKCZFOFOR-UHFFFAOYSA-N 189.117 1.882 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(O)cc1F 36047178 CSSGKHVRDGATJL-UHFFFAOYSA-N 157.100 1.440 5 50 ADBA in-vitro O=c1[nH]c2ccc([N+](=O)[O-])cc2s1 95611350 QITPMSSAFSZYOP-UHFFFAOYSA-N 196.187 1.498 5 50 ADBA in-vitro Cc1cc(CO)ccc1[N+](=O)[O-] 2567948 KOVQGYQQVNCUBR-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA O=[N+]([O-])Cc1ccccc1 1666770 VLZLOWPYUQHHCG-UHFFFAOYSA-N 137.138 1.463 5 50 ADBA in-vitro CN(C)c1ccc(O)cc1[N+](=O)[O-] 72194404 NGGPMGZIWRXMGU-UHFFFAOYSA-N 182.179 1.366 5 50 ADBA Cc1cccc([N+](=O)[O-])c1N(C)C 306983952 UNWVHBAGISQFAL-UHFFFAOYSA-N 180.207 1.969 5 50 ADBA O=C(O)Cc1ccc([N+](=O)[O-])c(F)c1 2243162 BRWLAOKLDCMHIC-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1F 153358 MMWFMFZFCKADEL-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro O=[N+]([O-])c1cc(CO)ccc1F 2386143 MKWJZTFMDWSRIH-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro COC(=O)Nc1ccc([N+](=O)[O-])cc1 4582964 DAWCBJXIGOELKF-UHFFFAOYSA-N 196.162 1.773 5 50 ADBA O=[N+]([O-])CCc1ccccc1 1608651 XAWCLWKTUKMCMO-UHFFFAOYSA-N 151.165 1.506 5 50 ADBA COc1ccc(C[C@H](F)[N+](=O)[O-])cc1 306145593 JUIRBSJEFHLVED-SECBINFHSA-N 199.181 1.810 5 50 ADBA NCCCOc1ccccc1[N+](=O)[O-] 33817844 OWYFLIFPPODJGL-UHFFFAOYSA-N 196.206 1.322 5 50 ADBA COc1ncc(C)cc1[N+](=O)[O-] 16125171 QCQICELALGZQRL-UHFFFAOYSA-N 168.152 1.307 5 50 ADBA in-vitro C[N+](C)(C)CCC(=O)c1ccccc1 1665472 NCTDMVAFTYBEOP-UHFFFAOYSA-N 192.282 1.966 5 50 ADBA O=[N+]([O-])c1ccc(-n2nccn2)cc1 1715827 DAIISCIHCDYWAF-UHFFFAOYSA-N 190.162 1.176 5 50 ADBA in-vitro C[C@H]([C@H](O)c1ccccc1)[N+](=O)[O-] 1733934 JGYVPZIKTZGAAD-APPZFPTMSA-N 181.191 1.385 5 50 ADBA O=[N+]([O-])c1cccc(Cl)n1 2599037 YRSNXUYQRUULNJ-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro NCCc1cccc([N+](=O)[O-])c1 12957668 WEPKDBHGQDETGY-UHFFFAOYSA-N 166.180 1.096 5 50 ADBA in-vitro O=C(O)/C=C/c1cccc([N+](=O)[O-])c1 54929 WWXMVRYHLZMQIG-SNAWJCMRSA-N 193.158 1.693 5 50 ADBA biogenic,in-vitro Nc1c(Cl)cncc1[N+](=O)[O-] 40448768 IXJAZHZQIPPEDN-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro COc1ccc(C=O)cc1[N+](=O)[O-] 80724 YTCRQCGRYCKYNO-UHFFFAOYSA-N 181.147 1.416 5 50 ADBA in-vitro O=Cc1ccc(C=O)c([N+](=O)[O-])c1 3845218 XKJZDFJGFMPBBG-UHFFFAOYSA-N 179.131 1.220 5 50 ADBA in-vitro O=[N+]([O-])c1cnc(F)c(F)c1 21981786 YJBQJGQRNAZQPG-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA in-vitro NCCc1ccc([N+](=O)[O-])cc1 3861340 IOXOZOPLBFXYLM-UHFFFAOYSA-N 166.180 1.096 5 50 ADBA in-vitro C[N+]12CCC(CC1)C1=C[C@@H](O)CC[C@H]12 403628 YKFILFDJENPVBD-CXFXUWLJSA-N 194.298 1.306 5 50 ADBA O=[N+]([O-])c1cn(-c2ccccc2)cn1 22001035 UEGSGHUETRZQDI-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA O=[N+]([O-])c1ccccc1-n1ccnc1 337720 HESJLLCGKVDGIB-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro CC(=O)CCC(C)(C)[N+](=O)[O-] 1733899 QWHNMIXUSPUHGO-UHFFFAOYSA-N 159.185 1.411 5 50 ADBA CC[N@+]12CCCC[C@@H]1[C@H](CO)CCC2 245311033 LRRPUHCKSUVOBQ-YNEHKIRRSA-N 198.330 1.778 5 50 ADBA biogenic O=[N+]([O-])c1ccccc1C1OCCO1 1868282 CEANTQDUGKFCET-UHFFFAOYSA-N 195.174 1.640 5 50 ADBA C[N+]1(C)CC[C@@H]2CC[C@H]21 1721847 LLIBUSWYOOJJOM-JGVFFNPUSA-N 126.223 1.245 5 50 ADBA CN(C)[C@@H]1CCCC[C@@H]1[N+](C)(C)C 1744480 AJCHFTHMJBIOBH-MNOVXSKESA-N 185.335 1.565 5 50 ADBA O=C(O)Cc1cccc(F)c1[N+](=O)[O-] 77031555 ZHQHUGDDYSPNTM-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro O=[N+]([O-])c1cccc([N+](=O)[O-])c1O 12358884 JCRIDWXIBSEOEG-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vitro CN(C)c1ccc([N+](=O)[O-])nc1 115232053 PDOHFLCDPWIDHH-UHFFFAOYSA-N 167.168 1.056 5 50 ADBA O=[N+]([O-])c1cc(Cl)cnc1F 15442494 QYRFYYRMUFOIKW-UHFFFAOYSA-N 176.534 1.782 5 50 ADBA in-vitro COCOc1ccc(N)c([N+](=O)[O-])c1 22048641 JYMLEEMEKCPXBF-UHFFFAOYSA-N 198.178 1.160 5 50 ADBA in-vitro COc1cc2c(cc1[N+](=O)[O-])OCO2 1697479 PSDYVDORVSBOQW-UHFFFAOYSA-N 197.146 1.332 5 50 ADBA CN(C)[C@H]1CCCC[C@@H]1[N+](C)(C)C 1744478 AJCHFTHMJBIOBH-QWRGUYRKSA-N 185.335 1.565 5 50 ADBA O=[N+]([O-])/C=C/C1CCCC1 2173473 QJUJQXPQQYTYQZ-AATRIKPKSA-N 141.170 1.967 5 50 ADBA O=[N+]([O-])c1nc[nH]c1Br 4714979 KSEFBYAEHWXHLM-UHFFFAOYSA-N 191.972 1.080 5 50 ADBA in-vitro CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 32579461 LTGYDUQSOZFFEM-UHFFFAOYSA-N 198.153 1.094 5 50 ADBA in-vitro O=C1Cc2ccc([N+](=O)[O-])cc2C1 1420785 VSEBFWRYDORZJI-UHFFFAOYSA-N 177.159 1.263 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)ccn1 8698171 LBLMBLVHTJEEDZ-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA Cc1cnc(Cl)c([N+](=O)[O-])c1 333064 LUAJUWOJEFFNFE-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro O=Cc1cccc(F)c1[N+](=O)[O-] 37597605 RJXDOIOYJGQGQH-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro C[C@H]1CNc2ccc([N+](=O)[O-])cc2O1 83254229 XGQMNDZPLBYYTB-LURJTMIESA-N 194.190 1.788 5 50 ADBA O=[N+]([O-])c1ccc(O)c(F)c1F 34317710 FCCFXVJUDSQIMG-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1-c1nnco1 14988029 WXKRXSFMMMXAKR-UHFFFAOYSA-N 191.146 1.645 5 50 ADBA O=[N+]([O-])c1cc(F)cc(O)c1F 263622737 AKNLAZURPYXKJI-UHFFFAOYSA-N 175.090 1.579 5 50 ADBA C[N+](C)(C)CCCCC[N+](C)(C)C 1683094 XUSPWDAHGXSTHS-UHFFFAOYSA-N 188.359 1.569 5 50 ADBA in-man N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 33358871 MDRSLNMEVGJERF-MRVPVSSYSA-N 178.191 1.021 5 50 ADBA in-vitro O=[N+]([O-])c1cc(Cl)ccc1O 35052074 NWSIFTLPLKCTSX-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro NCc1cc(F)c([N+](=O)[O-])c(F)c1 263622712 AEBSYIVGLQFTHN-UHFFFAOYSA-N 188.133 1.332 5 50 ADBA Cc1ccc([N+](=O)[O-])o1 1693511 VOBFYAXUVBEUGM-UHFFFAOYSA-N 127.099 1.496 5 50 ADBA in-vitro COc1cc(C(=O)O)cc([N+](=O)[O-])c1 2244195 QXIIPLXNJAJOMR-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro COC(=O)c1ccc(F)cc1[N+](=O)[O-] 16159721 YBAZOLISUXINHV-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1 1706151 AUQBBDWDLJSKMI-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA O=[N+]([O-])c1cccc(Cl)c1CO 2160272 NXNWDPRVHZOPBJ-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro CC(C)CCn1nccc1[N+](=O)[O-] 261493850 KRQOMEMDUVOOAN-UHFFFAOYSA-N 183.211 1.837 5 50 ADBA Cc1ccc(C(=O)O)c([N+](=O)[O-])c1O 4722153 HEKGHQKEERXLOI-UHFFFAOYSA-N 197.146 1.307 5 50 ADBA in-vitro CC(=O)c1cc(F)cc([N+](=O)[O-])c1O 2506823 YVTPUCHIOSGVSH-UHFFFAOYSA-N 199.137 1.642 5 50 ADBA in-vitro Nc1nc2ccc([N+](=O)[O-])cc2o1 39191142 UHYVXILHAMUPRP-UHFFFAOYSA-N 179.135 1.318 5 50 ADBA Nc1ccc([N+](=O)[O-])c(F)c1F 96032772 ODGMXVVBWISCHB-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(Br)o1 1664806 QGTDMAKRJHGXOF-UHFFFAOYSA-N 191.968 1.950 5 50 ADBA in-vitro Cc1cc([N+](=O)[O-])ccc1N 3861142 XTTIQGSLJBWVIV-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(N)c1C 4100736 YEFYPFWBLCARLC-UHFFFAOYSA-N 166.180 1.794 5 50 ADBA O=c1[nH]c2cc([N+](=O)[O-])ccc2o1 376977 UTQPEXLRBRAERQ-UHFFFAOYSA-N 180.119 1.029 5 50 ADBA CCOC(=O)c1ccc([N+](=O)[O-])cn1 39117061 PZFHVUFNOKRFEC-UHFFFAOYSA-N 196.162 1.167 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1532112 RMBFBMJGBANMMK-UHFFFAOYSA-N 182.135 1.811 5 50 ADBA in-vitro C[N+]1(C)CC[C@H]2CC[C@H]21 1721845 LLIBUSWYOOJJOM-HTQZYQBOSA-N 126.223 1.245 5 50 ADBA O=[N+]([O-])c1ccc2nc[nH]c2c1 4693007 XPAZGLFMMUODDK-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vitro O=Cc1csc([N+](=O)[O-])c1 159715 JYVNBTUBCTXNBI-UHFFFAOYSA-N 157.150 1.469 5 50 ADBA in-vitro CCOc1cc(C)c([N+](=O)[O-])cn1 261494233 SINRGLILAMTWAJ-UHFFFAOYSA-N 182.179 1.697 5 50 ADBA Nc1c(F)cccc1[N+](=O)[O-] 5784415 BHWHYGWMNMCXBA-UHFFFAOYSA-N 156.116 1.316 5 50 ADBA in-vitro CCNc1ccncc1[N+](=O)[O-] 20370196 RFSOTSMANIOZPD-UHFFFAOYSA-N 167.168 1.422 5 50 ADBA in-vitro O=[N+]([O-])[C@H](F)Cc1ccccc1 196272212 WFJPQNZLPSGBFO-QMMMGPOBSA-N 169.155 1.801 5 50 ADBA O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1 12358776 UFBJCMHMOXMLKC-UHFFFAOYSA-N 184.107 1.209 5 50 ADBA in-vivo O=[N+]([O-])c1n[nH]c2ccccc12 39208463 OWIRCRREDNEXTA-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA O=C(O)c1ccccc1[N+](=O)[O-] 80841 SLAMLWHELXOEJZ-UHFFFAOYSA-N 167.120 1.293 5 50 ADBA in-vitro COCCOc1ccc([N+](=O)[O-])cc1 2030296 AMSIAIRQIAPAPM-UHFFFAOYSA-N 197.190 1.620 5 50 ADBA in-vitro CNC(=O)Nc1ccc([N+](=O)[O-])cc1 12505397 KLRUCOUQQILQEI-UHFFFAOYSA-N 195.178 1.346 5 50 ADBA in-vitro CN(C)c1ncccc1[N+](=O)[O-] 19738645 HOESCRDIWBIVCL-UHFFFAOYSA-N 167.168 1.056 5 50 ADBA in-vitro Cc1cc(CO)c(O)c([N+](=O)[O-])c1 39426021 SFEKVEMUJBHBLK-UHFFFAOYSA-N 183.163 1.101 5 50 ADBA Cc1ccc([N+](=O)[O-])cc1C=O 8698489 JLFWTLNLOSUFMU-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro COc1ccc(C(=O)O)c([N+](=O)[O-])c1 1744402 DVZBWONCSHFMMM-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro CNc1nc(Cl)ccc1[N+](=O)[O-] 26893959 XBUWSEJQFZDJAZ-UHFFFAOYSA-N 187.586 1.685 5 50 ADBA in-vitro O=[N+]([O-])Cc1ccccc1F 141227014 XQXRCKUZZGMIDT-UHFFFAOYSA-N 155.128 1.602 5 50 ADBA COc1c([N+](=O)[O-])ccc(N)c1F 575726873 LQGPUEVNFWRPLT-UHFFFAOYSA-N 186.142 1.325 5 50 ADBA COCOc1ccc([N+](=O)[O-])cc1 32620257 WQLDOJPSORMLNV-UHFFFAOYSA-N 183.163 1.578 5 50 ADBA O=[N+]([O-])c1cnn(C(F)F)c1 2534800 VCURCUIEDUUUEA-UHFFFAOYSA-N 163.083 1.186 5 50 ADBA in-vitro Cc1nccc(Cl)c1[N+](=O)[O-] 34300457 NRXOKEODPIKBFA-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2[nH]ncc2c1F 42689613 KWAYHRXXJNBMRS-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])cc1O 164798 UMFDLIXUUJMPSI-UHFFFAOYSA-N 153.137 1.609 5 50 ADBA in-vitro Cc1ccsc1[N+](=O)[O-] 4831057 RUYLULWJGCGKEV-UHFFFAOYSA-N 143.167 1.965 5 50 ADBA in-vitro CNc1ccc(OC)c([N+](=O)[O-])c1 3130623 GCEHTHHPWNJJPA-UHFFFAOYSA-N 182.179 1.645 5 50 ADBA O=[N+]([O-])c1cc2cn[nH]c2cc1F 36533702 CQWPKRSNPVUHQA-UHFFFAOYSA-N 181.126 1.610 5 50 ADBA in-vitro C[C@@H](O)c1ccccc1[N+](=O)[O-] 2044984 DSDBYQDNNWCLHL-ZCFIWIBFSA-N 167.164 1.648 5 50 ADBA in-vitro O=[N+]([O-])Cc1ccc([N+](=O)[O-])cc1 1715126 MQQSJSOCNUOYBX-UHFFFAOYSA-N 182.135 1.372 5 50 ADBA O=Cc1cc([N+](=O)[O-])ccc1F 2584302 VVXFDFQEIRGULC-UHFFFAOYSA-N 169.111 1.546 5 50 ADBA in-vitro O=[N+]([O-])c1cn[nH]c1C1CC1 42415343 WRYNUOFZIOHDEB-UHFFFAOYSA-N 153.141 1.195 5 50 ADBA Nc1cc(Cl)c([N+](=O)[O-])cc1O 4411144 ZARYBZGMUVAJMK-UHFFFAOYSA-N 188.570 1.536 5 50 ADBA in-vitro C[N+]1(C)CC[C@H]([C@H]2CC[N+](C)(C)C2)C1 1857799184 QDEFYXGOKJQKDF-RYUDHWBXSA-N 198.354 1.179 5 50 ADBA O=Cc1ccc([N+](=O)[O-])cc1C(=O)O 1593010 IQZDAZHSOLMQJD-UHFFFAOYSA-N 195.130 1.106 5 50 ADBA CC(C)Oc1nn(C)cc1[N+](=O)[O-] 953000485 HRSGYKLMWRWVCM-UHFFFAOYSA-N 185.183 1.116 5 50 ADBA CC(=O)c1ccccc1[N+](=O)[O-] 1666914 SUGXZLKUDLDTKX-UHFFFAOYSA-N 165.148 1.797 5 50 ADBA in-vitro Cc1cc(C(=O)O)cc([N+](=O)[O-])c1 35333705 XAPRFOJQNGFJSZ-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA in-vitro O=[N+]([O-])c1cc(O)ccc1Cl 1746714 JUIKCULGDIZNDI-UHFFFAOYSA-N 173.555 1.954 5 50 ADBA in-vitro CC(C)c1ncc([N+](=O)[O-])n1C 1580 NTAFJUSDNOSFFY-UHFFFAOYSA-N 169.184 1.452 5 50 ADBA in-man Cc1ccc(CO)c([N+](=O)[O-])c1 71622018 QNJCSIZDJFUHBA-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro COc1c(C(=O)O)cccc1[N+](=O)[O-] 87493289 GMSYODOBBOEWCM-UHFFFAOYSA-N 197.146 1.302 5 50 ADBA in-vitro Cc1cccc(N)c1[N+](=O)[O-] 5420130 VDCZKCIEXGXCDJ-UHFFFAOYSA-N 152.153 1.485 5 50 ADBA in-vitro COc1cccc(F)c1[N+](=O)[O-] 16158904 GMWOSSBFNSZKAH-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro O=c1oc2ccccc2c2nccnc12 62103 NOVNOZNKFHLMJY-UHFFFAOYSA-N 198.181 1.736 5 50 ADBA COc1cc(Cl)ncc1[N+](=O)[O-] 36533552 IDLQBYAYVNBGGL-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA O=C(O)c1cc(F)cc([N+](=O)[O-])c1 2559546 VIPUIECMSDQUIK-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro CCCNc1ncc([N+](=O)[O-])cn1 40454305 FMBIBUMSRQQSDS-UHFFFAOYSA-N 182.183 1.207 5 50 ADBA O=C(O)c1c(F)cccc1[N+](=O)[O-] 2386501 MPDZCNPDHUUPRL-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro O=[N+]([O-])c1c(F)cccc1F 2557001 SSNCMIDZGFCTST-UHFFFAOYSA-N 159.091 1.873 5 50 ADBA in-vitro CCOc1ccc([N+](=O)[O-])c(F)n1 261494045 OMWILQWUXFOIBE-UHFFFAOYSA-N 186.142 1.528 5 50 ADBA Cc1ccnc(Cl)c1[N+](=O)[O-] 1595321 JHARVUVBTAAPLA-UHFFFAOYSA-N 172.571 1.952 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)CNC2 33947409 UYSFPRNOPWMPJW-UHFFFAOYSA-N 164.164 1.198 5 50 ADBA in-vitro O=c1[nH]ccc2ccc([N+](=O)[O-])cc12 82767313 YJZDQXBQGAXXGP-UHFFFAOYSA-N 190.158 1.436 5 50 ADBA CCOc1ccc(N)c([N+](=O)[O-])c1 3878823 ISFYBUAVOZFROB-UHFFFAOYSA-N 182.179 1.576 5 50 ADBA O=[N+]([O-])c1ccc2cn[nH]c2c1 4127238 ORZRMRUXSPNQQL-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vivo CNc1ccc([N+](=O)[O-])c(N)c1 143300359 FIWOMHTYMAMDIY-UHFFFAOYSA-N 167.168 1.219 5 50 ADBA O=[N+]([O-])c1ccc(F)c(CCCO)c1 141337884 VUDCHEGYZXXBBD-UHFFFAOYSA-N 199.181 1.659 5 50 ADBA O=[N+]([O-])CCc1cc2ccccc2[nH]1 208161 BEWHWSJZHVRRKE-UHFFFAOYSA-N 190.202 1.987 5 50 ADBA O=Cc1cccc([N+](=O)[O-])c1O 49942704 NUGOTBXFVWXVTE-UHFFFAOYSA-N 167.120 1.113 5 50 ADBA Cc1cc2nccn2cc1[N+](=O)[O-] 71257115 DUHWKOXBDNMSET-UHFFFAOYSA-N 177.163 1.551 5 50 ADBA in-vitro CNc1ccc([N+](=O)[O-])c(NC)n1 83823478 KCSPBYGOSJQPMB-UHFFFAOYSA-N 182.183 1.073 5 50 ADBA in-vitro Cc1nc([N+](=O)[O-])ccc1F 306597688 OPWPGRDXFQMCNB-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA COc1cnc(Cl)cc1[N+](=O)[O-] 261494245 SOTUUOMAUMXUML-UHFFFAOYSA-N 188.570 1.652 5 50 ADBA Cc1c(O)ccc([N+](=O)[O-])c1F 307310861 ZBZLWOLAWOWGSR-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA CCC(=O)Nc1cccc([N+](=O)[O-])c1 485163 KJYLJFHUBHZCKT-UHFFFAOYSA-N 194.190 1.943 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1-n1cccn1 3852544 OHPLOJFVHRTRPF-UHFFFAOYSA-N 189.174 1.781 5 50 ADBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])c(O)c1 34380931 FULKEVNWMGUXNQ-UHFFFAOYSA-N 196.162 1.259 5 50 ADBA O=[N+]([O-])c1ccccc1CCCO 59103463 LJHJJGAQQGSPRL-UHFFFAOYSA-N 181.191 1.520 5 50 ADBA O=[N+]([O-])c1cccs1 1680876 JIZRGGUCOQKGQD-UHFFFAOYSA-N 129.140 1.656 5 50 ADBA in-vitro C[C@@H](N)c1ccccc1[N+](=O)[O-] 21950121 UWYAACMYPJUURZ-ZCFIWIBFSA-N 166.180 1.615 5 50 ADBA in-vitro C[N+](C)(C)[C@@H]1CCCCCOC1 71785296 OLRSXOQYOOSFNZ-SNVBAGLBSA-N 172.292 1.652 5 50 ADBA Cc1cc(F)ncc1[N+](=O)[O-] 2384001 NSKQWXVTBOPEMH-UHFFFAOYSA-N 156.116 1.437 5 50 ADBA in-vitro O=[N+]([O-])c1cncc(Cl)c1 2599046 MUTXEQVAHJCPSL-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(OC2COC2)cc1 71791928 MJSQLDJAEWYVJR-UHFFFAOYSA-N 195.174 1.372 5 50 ADBA O=[N+]([O-])c1cc(F)cc(CO)c1 82237866 VIPAPHQBEJJKOZ-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA NSc1ccc([N+](=O)[O-])cc1 1583414 BKQYUKBIYBVNDJ-UHFFFAOYSA-N 170.193 1.561 5 50 ADBA Cc1nccc([N+](=O)[O-])c1O 115284555 UZTUQEPEJPQZBC-UHFFFAOYSA-N 154.125 1.004 5 50 ADBA O=CNc1ccc([N+](=O)[O-])cc1 4536531 ZTCQFVRINYOPOH-UHFFFAOYSA-N 166.136 1.163 5 50 ADBA C1CC[N+]2(CC1)CCCC2 15781993 XEYHFNNNWRPOHF-UHFFFAOYSA-N 140.250 1.781 5 50 ADBA CN1Cc2c(cccc2[N+](=O)[O-])C1=O 168382505 HSUTVNSMXVHPMO-UHFFFAOYSA-N 192.174 1.180 5 50 ADBA Nc1cc(F)cc(F)c1[N+](=O)[O-] 4416633 ZULNIHUDSFLCBT-UHFFFAOYSA-N 174.106 1.455 5 50 ADBA in-vitro Cc1cccc(CO)c1[N+](=O)[O-] 2567951 NELPTBUSFQMYOB-UHFFFAOYSA-N 167.164 1.396 5 50 ADBA in-vitro Cc1cc(C)c([N+](=O)[O-])cc1O 39133577 OMVAMPJZESGWII-UHFFFAOYSA-N 167.164 1.917 5 50 ADBA CC[N+](CC)(CC)C(C)=O 406412 PKUCUUCYVBIOMT-UHFFFAOYSA-N 144.238 1.409 5 50 ADBA Cc1cc([N+](=O)[O-])c(C(=O)O)s1 201383839 ISTKGEQGXCFCQU-UHFFFAOYSA-N 187.176 1.663 5 50 ADBA Cc1cc([N+](=O)[O-])ccc1C=O 39133543 ZYHLWYCYBVEMBK-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro CCCNc1ccncc1[N+](=O)[O-] 20370159 WSXFBFCVDNKQEN-UHFFFAOYSA-N 181.195 1.812 5 50 ADBA CCC(=O)c1cc([N+](=O)[O-])ccc1O 39410222 XNYKMZXGGPYALK-UHFFFAOYSA-N 195.174 1.893 5 50 ADBA COCCOc1cccc([N+](=O)[O-])c1 146048107 MIXOUNZKSILZLJ-UHFFFAOYSA-N 197.190 1.620 5 50 ADBA O=[N+]([O-])c1c(O)ccc2cnccc12 2325820752 ZQVUOVYLTRVHDQ-UHFFFAOYSA-N 190.158 1.849 5 50 ADBA Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 1532113 XTRDKALNCIHHNI-UHFFFAOYSA-N 182.135 1.811 5 50 ADBA in-vitro Nc1cc(Cl)ncc1[N+](=O)[O-] 15021890 YKWBEPUOVBMENG-UHFFFAOYSA-N 173.559 1.225 5 50 ADBA in-vitro CCCNc1ncccc1[N+](=O)[O-] 20021040 VMPHHWCBMJIVOQ-UHFFFAOYSA-N 181.195 1.812 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(Cl)c(CO)c1 160595 NNLQYDLTFRXAKD-UHFFFAOYSA-N 187.582 1.741 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(F)n1 43220721 OCOVUZVTOYAYHB-UHFFFAOYSA-N 142.089 1.129 5 50 ADBA in-vitro C[S@@](=O)c1ccc([N+](=O)[O-])cc1 173126 MLTFFVSGGPGNSP-LBPRGKRZSA-N 185.204 1.332 5 50 ADBA O=[N+]([O-])c1ccc(Cl)cn1 1580803 YUBHMOQVHOODEI-UHFFFAOYSA-N 158.544 1.643 5 50 ADBA in-vitro Cc1cc(N)c(O)c([N+](=O)[O-])c1 35566950 AJWIWEGQLDDWQC-UHFFFAOYSA-N 168.152 1.191 5 50 ADBA COc1cccc(C(C)=O)c1[N+](=O)[O-] 2585999 PVWNRLOVUZOZMF-UHFFFAOYSA-N 195.174 1.806 5 50 ADBA C[N@+]12CCCC[C@H]1[C@H](CO)CCC2 256012587 YAUVTYWHVQNESX-SDDRHHMPSA-N 184.303 1.388 5 50 ADBA O=C(O)Cc1ccccc1[N+](=O)[O-] 156503 WMUZDBZPDLHUMW-UHFFFAOYSA-N 181.147 1.222 5 50 ADBA in-vitro Cn1cc2ccc([N+](=O)[O-])cc2n1 1303185 RJFYXEGJMSZKIR-UHFFFAOYSA-N 177.163 1.482 5 50 ADBA in-vitro COC(OC)c1cccc([N+](=O)[O-])c1 1686588 ALXDDWGEZDTXOE-UHFFFAOYSA-N 197.190 1.886 5 50 ADBA in-vitro COC(=O)[C@H](C)CC[C@H](C)[N+](=O)[O-] 45068399 DNEMFPDMBPNXRI-RQJHMYQMSA-N 189.211 1.241 5 50 ADBA O=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 163425 PHKYMSLVWLYDKP-UHFFFAOYSA-N 190.158 1.889 5 50 ADBA in-vitro O=CN1CCc2ccc([N+](=O)[O-])cc21 1609572 MHMYRSLSPGQNPB-UHFFFAOYSA-N 192.174 1.114 5 50 ADBA in-vitro O=C1CCc2cc([N+](=O)[O-])ccc2N1 5344589 NQMSVHWAVMTBHK-UHFFFAOYSA-N 192.174 1.480 5 50 ADBA in-vitro O=[N+]([O-])[C@@H]1C[C@H]1c1ccccc1 34588921 XRNLPUUQLOMTGY-DTWKUNHWSA-N 163.176 1.819 5 50 ADBA O=C(O)Cc1c(F)cccc1[N+](=O)[O-] 59209278 SCRZNBSLSBQAIE-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2nsnc2c1 71460 BXZPSERJJMAPSV-UHFFFAOYSA-N 181.176 1.600 5 50 ADBA in-vitro CC[C@@H](C)[N+](=O)[O-] 1758976 SUGZATOHBPXTDV-SCSAIBSYSA-N 103.121 1.062 5 50 ADBA in-vitro CC(=O)c1ccc(F)c([N+](=O)[O-])c1 2577568 PTCNZDJJIOLIKQ-UHFFFAOYSA-N 183.138 1.937 5 50 ADBA in-vitro O=[N+]([O-])c1cncs1 12471766 VVVCJCRUFSIVHI-UHFFFAOYSA-N 130.128 1.051 5 50 ADBA in-vitro COCCOc1ccc([N+](=O)[O-])cn1 90556191 VRVHHUJTYWVESQ-UHFFFAOYSA-N 198.178 1.015 5 50 ADBA O=[N+]([O-])c1ccc(Cl)c2nonc12 1311094 IGHBXJSNZCFXNK-UHFFFAOYSA-N 199.553 1.784 5 50 ADBA in-vitro COc1cc(C)c([N+](=O)[O-])cc1OC 1686237 BNJRARLHTLUQCH-UHFFFAOYSA-N 197.190 1.920 5 50 ADBA COC(=O)c1cc(F)ccc1[N+](=O)[O-] 2576430 LCAUVFVOLNRVKG-UHFFFAOYSA-N 199.137 1.521 5 50 ADBA in-vitro CC(C)Nc1ccc([N+](=O)[O-])cn1 20017634 OCRSHDLJZUBRIH-UHFFFAOYSA-N 181.195 1.810 5 50 ADBA in-vitro O=Cc1c(F)cc(F)cc1[N+](=O)[O-] 169800328 RTMILDSHLKDGLL-UHFFFAOYSA-N 187.101 1.686 5 50 ADBA O=C1OCc2c1cccc2[N+](=O)[O-] 984366 NTPUVQUUAYGRHK-UHFFFAOYSA-N 179.131 1.265 5 50 ADBA in-vitro CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4115694 IQEJEZOCXWJNKR-UHFFFAOYSA-N 197.150 1.545 5 50 ADBA in-vitro O=[N+]([O-])/C=C\c1cccc(O)c1 4829015 DHTXBJQMDPODIB-PLNGDYQASA-N 165.148 1.640 5 50 ADBA O=[N+]([O-])c1ccc2c(c1)OCCCO2 4837073 DYLOYOGDBJZJDV-UHFFFAOYSA-N 195.174 1.756 5 50 ADBA in-vitro C[N+](C)(N)Cc1ccccc1 399040 MMSSKRCNXSULMI-UHFFFAOYSA-N 151.233 1.137 5 50 ADBA O=[N+]([O-])c1cnn(C2CCCC2)c1 67803035 QTVZPYUDEBKCFJ-UHFFFAOYSA-N 181.195 1.906 5 50 ADBA in-vitro COc1c(O)ccc(C=O)c1[N+](=O)[O-] 155075 PHCNQUJHXJQLQR-UHFFFAOYSA-N 197.146 1.122 5 50 ADBA in-vitro O=[N+]([O-])c1c(Cl)nc2ccccn12 1580814 MPYABESQQVTTRX-UHFFFAOYSA-N 197.581 1.896 5 50 ADBA in-vitro COc1cc([N+](=O)[O-])c(N)cc1C 39253893 QRQYCJHQHGNOPP-UHFFFAOYSA-N 182.179 1.494 5 50 ADBA C[C@@H](CN)Nc1ccc([N+](=O)[O-])cc1 3880423 QTKMXHBBADTCNZ-ZETCQYMHSA-N 195.222 1.354 5 50 ADBA CN1CCOc2cc([N+](=O)[O-])ccc21 142833137 XCNBFZXUTRJEEA-UHFFFAOYSA-N 194.190 1.423 5 50 ADBA O=[N+]([O-])c1cccc2[nH]ncc12 169194 WBTVZVUYPVQEIF-UHFFFAOYSA-N 163.136 1.471 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(OC[C@H]2CO2)cc1 162465 FPIGOBKNDYAZTP-VIFPVBQESA-N 195.174 1.372 5 50 ADBA in-vitro O=[N+]([O-])c1ccccc1OCCF 81135696 BZCYDTZLMSRNOQ-UHFFFAOYSA-N 185.154 1.943 5 50 ADBA in-vitro NCc1ccc([N+](=O)[O-])cc1F 39133620 PFNBFQGEYYHVRJ-UHFFFAOYSA-N 170.143 1.193 5 50 ADBA in-vitro O=[N+]([O-])/C=C/c1cccs1 55258 UTPOWFFIBWOQRK-ONEGZZNKSA-N 155.178 1.996 5 50 ADBA in-vitro O=[N+]([O-])c1ccc(-c2ccn[nH]2)cc1 3884177 IPIYADCDDIUVPS-UHFFFAOYSA-N 189.174 1.985 5 50 ADBA in-vivo O=[N+]([O-])c1ccc2nccnc2c1 167696 YLKFDRWBZAALPN-UHFFFAOYSA-N 175.147 1.538 5 50 ADBA in-vitro CN(C)C(=O)c1cccc([N+](=O)[O-])c1 1599308 DKWDGIRXGDSOST-UHFFFAOYSA-N 194.190 1.297 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2cncnc2c1 32220240 GDYMOWJSENQTNU-UHFFFAOYSA-N 175.147 1.538 5 50 ADBA C[S@](=O)Cc1cccc([N+](=O)[O-])c1 150337969 UWKGKAZBUKEURD-CYBMUJFWSA-N 199.231 1.473 5 50 ADBA in-vitro CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 4532644 WYOXDERVKORKJN-UHFFFAOYSA-N 194.190 1.297 5 50 ADBA in-vitro O=C(O)c1ccc(F)c([N+](=O)[O-])c1 1706166 BOJWTAQWPVBIPG-UHFFFAOYSA-N 185.110 1.432 5 50 ADBA in-vitro Cc1c2ccc([N+](=O)[O-])cc2nn1C 19045402 JHGRUPGVUMAQQU-UHFFFAOYSA-N 191.190 1.790 5 50 ADBA in-vitro CC(C)(N)c1ccccc1[N+](=O)[O-] 166178318 FBMDJSSRYKBKQJ-UHFFFAOYSA-N 180.207 1.789 5 50 ADBA in-vitro O=Cc1ccccc1[N+](=O)[O-] 164601 CMWKITSNTDAEDT-UHFFFAOYSA-N 151.121 1.407 5 50 ADBA in-vitro Cc1cc(C=O)ccc1[N+](=O)[O-] 16123578 WHJDQIWWIJARMK-UHFFFAOYSA-N 165.148 1.716 5 50 ADBA in-vitro O=[N+]([O-])c1c(F)ccnc1F 34545681 BEWIQKYGRIAYST-UHFFFAOYSA-N 160.079 1.268 5 50 ADBA in-vitro Cc1ccc(CN(C)C)cc1[N+](=O)[O-] 83311419 HSNWJOUQLRPCFT-UHFFFAOYSA-N 194.234 1.965 5 50 ADBA Cc1cc(C)c([N+](=O)[O-])c(C)n1 129393 UQBHNBZGFVDCAH-UHFFFAOYSA-N 166.180 1.915 5 50 ADBA O=[N+]([O-])c1cnsc1 2040162 FNXPAYVHLSTHQY-UHFFFAOYSA-N 130.128 1.051 5 50 ADBA Cc1cc(F)c(O)c([N+](=O)[O-])c1 71774214 HZSTVMNAYZSGTO-UHFFFAOYSA-N 171.127 1.748 5 50 ADBA O=[N+]([O-])c1c(F)cccc1CO 91252343 MMKNOYTVACESCK-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro Cc1cccc([N+](=O)[O-])c1C(=O)O 157093 CCXSGQZMYLXTOI-UHFFFAOYSA-N 181.147 1.601 5 50 ADBA in-vitro COC(=O)c1cccc([N+](=O)[O-])c1 354552 AXLYJLKKPUICKV-UHFFFAOYSA-N 181.147 1.381 5 50 ADBA in-vitro COC(=O)Nc1cccc([N+](=O)[O-])c1 2164781 ZMHNYWIJOJZOJY-UHFFFAOYSA-N 196.162 1.773 5 50 ADBA O=[N+]([O-])c1cccc(F)c1CO 67802429 RHZFPVDHVXUSND-UHFFFAOYSA-N 171.127 1.226 5 50 ADBA in-vitro CCC(=O)SCC[N+](C)(C)C 1627126 ILWCNQXVCCMVCY-UHFFFAOYSA-N 176.305 1.362 5 50 ADBA in-vitro COc1cc(F)cc([N+](=O)[O-])c1 1701565 FPDLQPICBDMTLB-UHFFFAOYSA-N 171.127 1.743 5 50 ADBA in-vitro Cc1ccc([N+](=O)[O-])c(C(N)=O)c1 39433755 KNJDDEARUYAGMA-UHFFFAOYSA-N 180.163 1.002 5 50 ADBA Cc1ccc(C(N)=O)c([N+](=O)[O-])c1 113752670 VWKSRDFIGWFBMV-UHFFFAOYSA-N 180.163 1.002 5 50 ADBA O=[N+]([O-])c1nccnc1Cl 34765275 WFJAKBGXNXBMLL-UHFFFAOYSA-N 159.532 1.038 5 50 ADBA Cc1[nH]c(C=O)c(C)c1[N+](=O)[O-] 37624307 OOVLXRNEZYLZRL-UHFFFAOYSA-N 168.152 1.352 5 50 ADBA NC(=S)Nc1cccc([N+](=O)[O-])c1 6511809 HQEMUQNZGCZHHN-UHFFFAOYSA-N 197.219 1.250 5 50 ADBA in-vitro O=[N+]([O-])c1ccc2c(c1)COCC2 481055 YGESIJUSNLKASY-UHFFFAOYSA-N 179.175 1.668 5 50 ADBA Cc1cc(N)c(N)cc1[N+](=O)[O-] 39213662 VBZQQOZFOSOFLO-UHFFFAOYSA-N 167.168 1.068 5 50 ADBA O=[N+]([O-])c1c[nH]c(Br)n1 5425250 UWRJWMLKEHRGOH-UHFFFAOYSA-N 191.972 1.080 5 50 ADBA O=[N+]([O-])c1cnn2ccc(Cl)nc12 95629931 VYEUPRYCLWAOMU-UHFFFAOYSA-N 198.569 1.291 5 50 ADBA in-vitro O=[N+]([O-])c1cccc(F)c1 1690401 WMASLRCNNKMRFP-UHFFFAOYSA-N 141.101 1.734 5 50 ADBA in-vitro CCc1ccc(C(=O)O)cc1[N+](=O)[O-] 7023220 DUTYVLOGZGRKMA-UHFFFAOYSA-N 195.174 1.855 5 50 ADBA in-vitro O=C(O)Cc1ccc(F)cc1[N+](=O)[O-] 6925795 LAFOTQFKZXKMFD-UHFFFAOYSA-N 199.137 1.361 5 50 ADBA in-vitro CNC(=O)c1ccc([N+](=O)[O-])cc1F 70190712 CWGRZEVFBBAKCD-UHFFFAOYSA-N 198.153 1.094 5 50 ADBA in-vitro CNc1ccc([N+](=O)[O-])cc1 3860557 XIFJZJPMHNUGRA-UHFFFAOYSA-N 152.153 1.637 5 50 ADBA in-vitro C[S@](=O)c1ccc([N+](=O)[O-])cc1 12367579 MLTFFVSGGPGNSP-GFCCVEGCSA-N 185.204 1.332 5 50 ADBA