smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1c(F)cc(C)cc1[N+](=O)[O-] 98177655 JRWSBCXFFPZMRL-UHFFFAOYSA-N 185.154 2.051 5 40 AEBB in-vitro CCSc1ccncc1[N+](=O)[O-] 480503 OSQVKDZFSKHWME-UHFFFAOYSA-N 184.220 2.102 5 40 AEBB CC(C)(Cl)CCC[N+](C)(C)C 162344 VDIHNGJPXWUWMH-UHFFFAOYSA-N 178.727 2.490 5 40 AEBB O=[N+]([O-])c1ccc(Cl)c(F)c1O 39417366 QHXNXZWZWUJJEE-UHFFFAOYSA-N 191.545 2.093 5 40 AEBB CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2003731 RPQSKHWNIKZEAI-UHFFFAOYSA-N 196.162 2.065 5 40 AEBB O=c1ccoc2ccc3ncccc3c12 85399827 JYYZZTGUDBYUJB-UHFFFAOYSA-N 197.193 2.341 5 40 AEBB CC(C)(C)NC1=C([N+](=O)[O-])CCCC1 1584370 KBWMCNWPCRYIIO-UHFFFAOYSA-N 198.266 2.437 5 40 AEBB O=[N+]([O-])c1cncc(C(F)(F)F)c1 47212303 QHTGFPIKZWZGRJ-UHFFFAOYSA-N 192.096 2.009 5 40 AEBB O=[N+]([O-])c1cccc2scnc12 32221348 HTEFJELLZLFAQE-UHFFFAOYSA-N 180.188 2.205 5 40 AEBB Cc1ccc([C@@H](C)[N+](=O)[O-])cc1 2042261 UZBOCLNTFBKQNO-MRVPVSSYSA-N 165.192 2.333 5 40 AEBB CCNc1cc(C)ccc1[N+](=O)[O-] 83823461 HEARVZFZEZXEEW-UHFFFAOYSA-N 180.207 2.335 5 40 AEBB in-vitro Cc1cc([N+](=O)[O-])c(C)cc1[N+](=O)[O-] 85343016 CLJZOFDOLIPFEQ-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB O=[N+]([O-])c1ccc2onc(Cl)c2c1 39250972 MXCYFQHELALNNO-UHFFFAOYSA-N 198.565 2.389 5 40 AEBB CC[N+](C)(C)C1CCCCC1 1720072 XURMURYJWMFWER-UHFFFAOYSA-N 156.293 2.415 5 40 AEBB O=[N+]([O-])c1ccc(OCCCF)cc1 39333866 BITLWFAHHVSISN-UHFFFAOYSA-N 199.181 2.333 5 40 AEBB CC[N+](C)(C)Cc1cccc(OC)c1 1348 AAKPJTCJKGHSJF-UHFFFAOYSA-N 194.298 2.292 5 40 AEBB in-man O=[N+]([O-])CCC1CCCCC1 38282176 FAYKNVFWQRGUFR-UHFFFAOYSA-N 157.213 2.234 5 40 AEBB C[C@@H](F)COc1ccccc1[N+](=O)[O-] 1772820799 WUFYRONDBZVBON-SSDOTTSWSA-N 199.181 2.332 5 40 AEBB COc1c([N+](=O)[O-])ccc(F)c1C 97447190 SZVYCCRGBJFVDA-UHFFFAOYSA-N 185.154 2.051 5 40 AEBB CCNc1ccc([N+](=O)[O-])c(C)c1 35277279 OBINZXFYJFGKBK-UHFFFAOYSA-N 180.207 2.335 5 40 AEBB CC(C)c1cc([N+](=O)[O-])ccc1N 39953797 LSNMDLKVJFLHEN-UHFFFAOYSA-N 180.207 2.300 5 40 AEBB O=[N+]([O-])c1cc(Cl)c2nc[nH]c2c1 67802417 NLQMRTMBHLZMGY-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB c1cnc2ccc3nccnc3c2c1 1432769 ZIAQCYZPKDIKRM-UHFFFAOYSA-N 181.198 2.178 5 40 AEBB Cc1cc(O)c(Cl)cc1[N+](=O)[O-] 5765131 VCVRNVYZNFWSOU-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB in-vitro [O-][n+]1cccc2ccc3cccnc3c21 5933838 OFEFUDKSXOZQFL-UHFFFAOYSA-N 196.209 2.021 5 40 AEBB in-vitro O=[N+]([O-])c1cc2ccccc2[nH]1 2001154 HCGYMSSYSAKGPK-UHFFFAOYSA-N 162.148 2.076 5 40 AEBB O=[N+]([O-])c1ccccc1-c1cocn1 82046596 DGQGIMSTNHUPGW-UHFFFAOYSA-N 190.158 2.250 5 40 AEBB Cc1ccc(OCC[N+](C)(C)C)cc1 1848458 GTONJHOOJYCNOW-UHFFFAOYSA-N 194.298 2.080 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)[C@H]1C[C@H]3[C@@H]2[C@@H]13 45027997 DXHMVSFAENACAT-YTWAJWBKSA-N 187.198 2.425 5 40 AEBB O=[N+]([O-])c1cccc2c1[C@H]1[C@@H]3C[C@H]2[C@H]13 101037235 OCVSRBZKAZIWQV-VXPPSSQKSA-N 187.198 2.425 5 40 AEBB O=[N+]([O-])c1ccc2sncc2c1 3643587 AUYJMVMBVRSCMW-UHFFFAOYSA-N 180.188 2.205 5 40 AEBB C=Cc1ccc(OC)c([N+](=O)[O-])c1 1685737 YDBZZPGFKSOBNU-UHFFFAOYSA-N 179.175 2.246 5 40 AEBB C[N+](C)(C)CC1CCCCC1 1685639 OWGXKMHHOLPFAN-UHFFFAOYSA-N 156.293 2.273 5 40 AEBB Cc1c(F)cnc(Cl)c1[N+](=O)[O-] 21981929 IIAURUOPOPAEEI-UHFFFAOYSA-N 190.561 2.091 5 40 AEBB Nc1ccc2c(ccc3cccc[n+]32)c1 1697986 YBLLGWVCZXBTMK-UHFFFAOYSA-N 195.245 2.161 5 40 AEBB O=c1cc[nH]c2c1ccc1cccnc12 15767816 IZYBEGHUZQSYII-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB CCC[C@H](C)n1ccc([N+](=O)[O-])n1 67799301 GIUGJFYUNXUHBU-ZETCQYMHSA-N 183.211 2.152 5 40 AEBB C[C@@H]1CCCC[N+]12CCCC2 4747947 OBYXIYGMHYKCLX-SNVBAGLBSA-N 154.277 2.169 5 40 AEBB O=c1cnc2c(ccc3ccccc32)[nH]1 8619215 DXXNHZBOQZLNCE-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB Cc1cc([N+](=O)[O-])c2[nH]ccc2c1 37632503 GWNRCDPHHKVJTP-UHFFFAOYSA-N 176.175 2.385 5 40 AEBB CCN(C)c1ccc([N+](=O)[O-])cc1 32204882 IOGXWDULLFRVFZ-UHFFFAOYSA-N 180.207 2.051 5 40 AEBB Cc1cc(Cl)cc([N+](=O)[O-])c1O 37263073 AQCYSHAXKXQEFZ-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB in-vitro O=[N+]([O-])c1ccc(Cl)c2[nH]ncc12 89196560 DLSMRXKVGVGPME-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB O=[N+]([O-])CCc1ccccc1Cl 2519151 XEWJLBPWTJKENF-UHFFFAOYSA-N 185.610 2.159 5 40 AEBB O=[N+]([O-])c1ccc([C@@H]2CCCN2)cc1 19273214 ZBPDTJUWRVZNPZ-JTQLQIEISA-N 192.218 2.019 5 40 AEBB Cc1cc([N+](=O)[O-])c(Cl)nc1C 22005419 PLOHNISKTBOURT-UHFFFAOYSA-N 186.598 2.260 5 40 AEBB CCc1cc([N+](=O)[O-])c(O)cc1F 95080317 LKVUTLLMYSLBCI-UHFFFAOYSA-N 185.154 2.002 5 40 AEBB in-vitro CC[N+](CC)(CC)C[C@@H](C)F 1083812822 ATYCJVBRDREUBV-SECBINFHSA-N 162.272 2.221 5 40 AEBB O=[N+]([O-])c1cccc2c1[C@@H]1[C@H]3C[C@H]2[C@@H]31 104289247 OCVSRBZKAZIWQV-VFYMIVFZSA-N 187.198 2.425 5 40 AEBB Cc1cc([N+](=O)[O-])ccc1[N+]#N 4416636 RNBOFGSATMLBRI-UHFFFAOYSA-N 164.144 2.388 5 40 AEBB CC(C)NCc1ccc([N+](=O)[O-])cc1 15416922 QNGBQYXZCFXBHP-UHFFFAOYSA-N 194.234 2.093 5 40 AEBB in-vitro CCNc1ccc([N+](=O)[O-])cc1F 20474734 PVYCNUABBWZGSN-UHFFFAOYSA-N 184.170 2.166 5 40 AEBB O=[N+]([O-])c1cc(Cl)c(O)cc1F 82389176 FMYLZKROLAFAOW-UHFFFAOYSA-N 191.545 2.093 5 40 AEBB in-vitro CCc1cc([N+](=O)[O-])cc(C)c1N 45888168 WWFHCXTTXZLUKT-UHFFFAOYSA-N 180.207 2.048 5 40 AEBB O=[N+]([O-])c1ccc(F)c2[nH]ccc12 89157463 DPQBBZICAPJZLA-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB in-vitro C[n+]1nc2ccccc2c2ccccc21 6519959 LLOCPRUJBMSADG-UHFFFAOYSA-N 195.245 2.213 5 40 AEBB Cc1cc([N+](=O)[O-])ccc1N=O 5105996 BJYRPJHNDONQKN-UHFFFAOYSA-N 166.136 2.301 5 40 AEBB O=Cc1cc([N+](=O)[O-])c(Cl)s1 84305234 BJNVYXFIMPUIIA-UHFFFAOYSA-N 191.595 2.122 5 40 AEBB CSCc1cccc([N+](=O)[O-])c1 81953911 RVUYCFUSWBGCKF-UHFFFAOYSA-N 183.232 2.458 5 40 AEBB in-vitro Cc1cc([N+](=O)[O-])nn1C1CCCC1 12395793 APJZXPFRUPGBFU-UHFFFAOYSA-N 195.222 2.215 5 40 AEBB O=[N+]([O-])/C=C/C(Cl)(Cl)Cl 5500611 WFDXHJPDAZMBMW-OWOJBTEDSA-N 190.413 2.147 5 40 AEBB CC[C@H](N)c1cccc([N+](=O)[O-])c1 36720006 ONWQSIRAWSRGBH-VIFPVBQESA-N 180.207 2.005 5 40 AEBB in-vitro Cc1cc([N+](=O)[O-])cc(Cl)c1O 35575511 KORZLRSUPBWADT-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB CC(C)(C)c1cc([N+](=O)[O-])ccc1N 4087055 NLKJERRQFXNBFM-UHFFFAOYSA-N 194.234 2.475 5 40 AEBB Nc1ccc2c(ccc3cccnc32)n1 19801128 LYGFYMFCTYDVBQ-UHFFFAOYSA-N 195.225 2.365 5 40 AEBB Cc1ccc([N+](C)(C)C)cc1 1669507 OVMCHIQZLWXXEU-UHFFFAOYSA-N 150.245 2.192 5 40 AEBB CSc1ccccc1[N+](=O)[O-] 1691379 LYERWKWSYZQUDA-UHFFFAOYSA-N 169.205 2.317 5 40 AEBB O=[N+]([O-])c1cc(F)c(S)c(F)c1 36379491 PWWMHVHBXSUFCB-UHFFFAOYSA-N 191.158 2.162 5 40 AEBB in-vitro O=c1[nH]c2ncccc2c2ccccc12 13523954 YLSBDRGLLZDAKB-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB in-vitro CC[C@]1([N+](=O)[O-])C[C@H]2C=C[C@H]1C2 100132894 NYZGRNLYVHILAU-CIUDSAMLSA-N 167.208 2.008 5 40 AEBB in-vitro CN(C)/C=C/c1ccc([N+](=O)[O-])cc1 39236884 LPBAERIJGIWGFR-BQYQJAHWSA-N 192.218 2.127 5 40 AEBB Cc1ccc2ncc([N+](=O)[O-])cc2c1 4710150 BCEDHAHNUIVETH-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB O=[N+]([O-])c1ccccc1OCCCF 205028454 OEWIRBFDRRYQSP-UHFFFAOYSA-N 199.181 2.333 5 40 AEBB Cc1cc(Cl)c([N+](=O)[O-])cc1N 1610389 WUSAYXHDBDAHGU-UHFFFAOYSA-N 186.598 2.139 5 40 AEBB in-vitro O=[N+]([O-])/C=C\c1cc(Cl)ccc1O 3852595 GWGGFSDJGGZAED-ARJAWSKDSA-N 199.593 2.293 5 40 AEBB Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N 4824603 HALLPDRKHGFBAB-UHFFFAOYSA-N 194.234 2.411 5 40 AEBB O=c1c2ccccc2[nH]c2ccncc12 39216106 LRKYMAFXUCRWDX-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB O=[N+]([O-])c1cccc([C@H](O)C2CC2)c1 1537958129 LVMVLQIABONHSU-SNVBAGLBSA-N 193.202 2.038 5 40 AEBB CC(=O)c1cc([N+](=O)[O-])ccc1C 68590403 GOECEMHOAOBUEA-UHFFFAOYSA-N 179.175 2.106 5 40 AEBB in-vitro O=[N+]([O-])c1cnc2[nH]cc(Cl)c2c1 44712788 URNOOJJDRGVAFT-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB O=[N+]([O-])c1ccc2nc(Cl)oc2c1 33420174 BRDWSRCZYYPRQZ-UHFFFAOYSA-N 198.565 2.389 5 40 AEBB in-vitro O=[N+]([O-])c1cc(O)c2ccccc2c1 34426562 PTBQRDXCVFMSFX-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB O=[N+]([O-])c1c[nH]nc1-c1cccs1 96527474 QVIPWZDOTSADOS-UHFFFAOYSA-N 195.203 2.046 5 40 AEBB C[C@@]1(C[N+](C)(C)C)C[C@H]2C=C[C@H]1C2 100846403 CYNGRISEYDKTSR-SRVKXCTJSA-N 180.315 2.295 5 40 AEBB CC(C)(c1ccccc1)[N+](=O)[O-] 2173711 TVVMCHGYOZAXES-UHFFFAOYSA-N 165.192 2.198 5 40 AEBB C=Cc1cccc(F)c1[N+](=O)[O-] 642882862 FOMXJCJMMCTMMU-UHFFFAOYSA-N 167.139 2.377 5 40 AEBB CC[C](O)c1cccc([N+](=O)[O-])c1 1560407707 WZFKPMPABLOXJK-UHFFFAOYSA-N 180.183 2.257 5 40 AEBB C/C(=C/C1CCCC1)[N+](=O)[O-] 1675325 URLJJQLKYKXNID-SREVYHEPSA-N 155.197 2.357 5 40 AEBB C[C@H](C[N+](C)(C)C)c1ccccc1 1320186 BDZOFGGUVQAESK-LLVKDONJSA-N 178.299 2.496 5 40 AEBB CC(C)c1cc(F)cc([N+](=O)[O-])c1N 256028109 UJOMKEJGFZZFTN-UHFFFAOYSA-N 198.197 2.440 5 40 AEBB O=[N+]([O-])c1ccc(CCF)cc1 9235186 OTNYAOLOSYGNIY-UHFFFAOYSA-N 169.155 2.107 5 40 AEBB N#[N+]c1ccc(F)c([N+](=O)[O-])c1 34555027 WIPKVLNFSUVORE-UHFFFAOYSA-N 168.107 2.218 5 40 AEBB CCCc1ccc(N)cc1[N+](=O)[O-] 345929 YJXYKDQEOIPVBD-UHFFFAOYSA-N 180.207 2.130 5 40 AEBB C[N+](C)(C)CCCc1ccccc1 2038873 RMMVFXHBJMOAJI-UHFFFAOYSA-N 178.299 2.325 5 40 AEBB CCc1ccc([N+](=O)[O-])c(C)c1 39220502 JRFWREBLPZKNNR-UHFFFAOYSA-N 165.192 2.466 5 40 AEBB O=[N+]([O-])c1cccc2c1CCCC2 4342892 VXZHOWCMXKLZNY-UHFFFAOYSA-N 177.203 2.474 5 40 AEBB Cc1cc([N+](=O)[O-])ccc1S 34448990 WIHVQTMIIWQQCX-UHFFFAOYSA-N 169.205 2.192 5 40 AEBB CCC(CC)n1ccc([N+](=O)[O-])n1 67799870 KYQVIZMFWSIIES-UHFFFAOYSA-N 183.211 2.152 5 40 AEBB CC(C)C(=O)c1ccccc1[N+](=O)[O-] 34172894 URRIBGFCIOLNPD-UHFFFAOYSA-N 193.202 2.434 5 40 AEBB CSc1cccc(F)c1[N+](=O)[O-] 34618643 SNNYYCCMWXRDTI-UHFFFAOYSA-N 187.195 2.456 5 40 AEBB CC[N+](C)(C)Cc1ccc(OC)cc1 1691041 CBIBQLADSXHQTP-UHFFFAOYSA-N 194.298 2.292 5 40 AEBB Cc1c([N+](=O)[O-])ccc2cc[nH]c12 34761571 UYFCEBUZKRKPLF-UHFFFAOYSA-N 176.175 2.385 5 40 AEBB in-vitro [C-]#[N+]c1cccc([N+](=O)[O-])c1 95697861 YZCSJSFXYQDTCK-UHFFFAOYSA-N 148.121 2.146 5 40 AEBB Cc1c(F)ccc([N+](=O)[O-])c1F 32914723 AVWNNVJXXMKAPB-UHFFFAOYSA-N 173.118 2.181 5 40 AEBB in-vitro CC[N+](CC)(CC)C[C@H](C)F 1083812823 ATYCJVBRDREUBV-VIFPVBQESA-N 162.272 2.221 5 40 AEBB O=[N+]([O-])c1cc(F)c(O)c(Cl)c1 96378665 DNEKNGNVVLMMLU-UHFFFAOYSA-N 191.545 2.093 5 40 AEBB CCSc1ncccc1[N+](=O)[O-] 481340 WWUWNODFRXLHOJ-UHFFFAOYSA-N 184.220 2.102 5 40 AEBB O=[N+]([O-])c1cccc2ccoc12 39136430 UWXIRVOEHNPCEV-UHFFFAOYSA-N 163.132 2.341 5 40 AEBB COc1cc(SC)ccc1[N+](=O)[O-] 98210054 MFJDNQWUCNGTSE-UHFFFAOYSA-N 199.231 2.325 5 40 AEBB in-vitro O=[N+]([O-])/C=C\c1cccc(F)c1 5493351 NOXNBNYWEWJUTM-PLNGDYQASA-N 167.139 2.073 5 40 AEBB Cc1cc([N+](=O)[O-])nc2ccccc12 14983228 QLZSVHOYRWNAIV-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB O=[N+]([O-])/C=C/c1ccc(F)c(F)c1 2244087 MFUFIEVSMSIBOA-ONEGZZNKSA-N 185.129 2.212 5 40 AEBB O=[N+]([O-])c1cc(C2CC2)ccc1O 19799492 WRBYDWVXPGURRB-UHFFFAOYSA-N 179.175 2.178 5 40 AEBB CCOc1cc([N+](=O)[O-])ccc1NC 96316060 KURDHIGIEPPMTE-UHFFFAOYSA-N 196.206 2.035 5 40 AEBB COc1ccc2c(c1[N+](=O)[O-])C=CC2 97053747 MAOAYKSFAKRBLK-UHFFFAOYSA-N 191.186 2.173 5 40 AEBB in-vitro CCOc1sccc1[N+](=O)[O-] 67802491 LJSPOVJGQGWQEB-UHFFFAOYSA-N 173.193 2.055 5 40 AEBB CC[C@]1([N+](=O)[O-])C[C@@H]2C=C[C@H]1C2 1598162 NYZGRNLYVHILAU-VGMNWLOBSA-N 167.208 2.008 5 40 AEBB in-vitro O=c1c2ccccc2oc2cccnc12 5224550 YAUODDQCNOBEDJ-UHFFFAOYSA-N 197.193 2.341 5 40 AEBB O=C1CCCc2cccc([N+](=O)[O-])c21 39369617 UKKCVYLILLBOTM-UHFFFAOYSA-N 191.186 2.114 5 40 AEBB CC(C)(C)c1cc(N)ccc1[N+](=O)[O-] 4087050 DVMHPTQYUHBVDY-UHFFFAOYSA-N 194.234 2.475 5 40 AEBB Oc1ccc2nc3ccccc3nc2c1 5422107 RETSEGNZNUBJRB-UHFFFAOYSA-N 196.209 2.489 5 40 AEBB CC[N+]1(CC)C[C@H]2CC[C@@H]1C2 1609652 NGYWTSGYWOEPLB-VHSXEESVSA-N 154.277 2.025 5 40 AEBB O=c1c2ccccc2[nH]c2ncccc12 18156440 DAFMSUZBESPPSV-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB biogenic,in-vitro O=[N+]([O-])c1cc2cn[nH]c2cc1Cl 14985640 SXVCMKGCWGVSSX-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB in-vitro CC(C)C(=O)c1cccc([N+](=O)[O-])c1 34410351 XETWTCSIVIMDBU-UHFFFAOYSA-N 193.202 2.434 5 40 AEBB O=[N+]([O-])c1cccc2ccncc12 1593108 SUXMGKFFQJTYEX-UHFFFAOYSA-N 174.159 2.143 5 40 AEBB Nc1ccc(C(F)F)cc1[N+](=O)[O-] 8700322 NRKZQNBCOSAMIZ-UHFFFAOYSA-N 188.133 2.115 5 40 AEBB in-vitro CC[N+](C)(C)Cc1ccccc1 1690603 ODRZUUBZEIXMOS-UHFFFAOYSA-N 164.272 2.283 5 40 AEBB world O=[N+]([O-])c1cccc2ncsc12 1688660 HOXHADJRCXTPMR-UHFFFAOYSA-N 180.188 2.205 5 40 AEBB Cc1cc2cccc([N+](=O)[O-])c2[nH]1 38888050 YUDQGXUXUKTOMZ-UHFFFAOYSA-N 176.175 2.385 5 40 AEBB Cc1cc(F)c([N+](=O)[O-])cc1C 2540320 MKTUNSTXISDNAB-UHFFFAOYSA-N 169.155 2.351 5 40 AEBB O=[N+]([O-])CCc1cccc(Cl)c1 2519152 ICKLWVGANKKUNK-UHFFFAOYSA-N 185.610 2.159 5 40 AEBB CCc1ccc([N+](=O)[O-])c(CC)c1N 95080166 SNRRMXALZAFEHT-UHFFFAOYSA-N 194.234 2.302 5 40 AEBB CC(C)(C)Oc1ccc([N+](=O)[O-])cn1 34337745 GFVZPYNNDUUGJP-UHFFFAOYSA-N 196.206 2.167 5 40 AEBB CC(C)Oc1cccc([N+](=O)[O-])c1 96029243 HYEGHGPJOHWWEX-UHFFFAOYSA-N 181.191 2.382 5 40 AEBB CCCCCCn1cc([N+](=O)[O-])cn1 16698788 ZJVSHABVHNCCRT-UHFFFAOYSA-N 197.238 2.372 5 40 AEBB CC(C)Nc1cccc([N+](=O)[O-])c1 34256616 ZRXBZMVVHXLWNA-UHFFFAOYSA-N 180.207 2.415 5 40 AEBB O=c1oc2ccccc2c2cccnc12 39216298 CDNRMYZZOFXKBW-UHFFFAOYSA-N 197.193 2.341 5 40 AEBB CNc1c(C)cc([N+](=O)[O-])cc1C 59190132 OJZSIHMWQJMHFS-UHFFFAOYSA-N 180.207 2.253 5 40 AEBB O=[N+]([O-])c1c(O)ccc2c1CCCC2 21965164 UJZAWUHOEZMHNT-UHFFFAOYSA-N 193.202 2.179 5 40 AEBB O=[N+]([O-])/C=C/c1cc2ccccc2[nH]1 1761642 ZUQXVMIIRIIGTQ-AATRIKPKSA-N 188.186 2.415 5 40 AEBB in-vitro CC[N+]1(CC)C[C@@H]2CC[C@H]1C2 1609653 NGYWTSGYWOEPLB-ZJUUUORDSA-N 154.277 2.025 5 40 AEBB CC[N+](CC)(CC)CC(F)(F)F 2576932 YIBKDRGLWHKTFN-UHFFFAOYSA-N 184.225 2.425 5 40 AEBB in-vitro O=[N+]([O-])c1ccc([C@H]2N=CN=N2)cc1 5769088 MXMTZFGAGBVWPG-QMMMGPOBSA-N 190.162 2.088 5 40 AEBB C[C@]1(C[N+](C)(C)C)C[C@H]2C=C[C@H]1C2 100846398 CYNGRISEYDKTSR-SDDRHHMPSA-N 180.315 2.295 5 40 AEBB CC(=O)CCc1cccc([N+](=O)[O-])c1 1592621 VYVUFYWGUYOWTO-UHFFFAOYSA-N 193.202 2.116 5 40 AEBB C/C(=C\C1CCCC1)[N+](=O)[O-] 4801994 URLJJQLKYKXNID-VOTSOKGWSA-N 155.197 2.357 5 40 AEBB C[C@@H](C[N+](C)(C)C)c1ccccc1 1320185 BDZOFGGUVQAESK-NSHDSACASA-N 178.299 2.496 5 40 AEBB biogenic CC[N+](C)(C)Cc1cccs1 1691040 PBJRYXGOGKJYCK-UHFFFAOYSA-N 170.301 2.344 5 40 AEBB CC[C@@]1([N+](=O)[O-])C[C@@H]2C=C[C@H]1C2 4921478 NYZGRNLYVHILAU-HRDYMLBCSA-N 167.208 2.008 5 40 AEBB in-vitro O=[N+]([O-])c1cccc2c1NCC=C2 34599325 UORIPNYKFAERJM-UHFFFAOYSA-N 176.175 2.034 5 40 AEBB CCOc1ccc(/C=C\[N+](=O)[O-])cc1 5336321 LCRQRRBRHHLEHO-FPLPWBNLSA-N 193.202 2.333 5 40 AEBB C[N+]1(C)CCC2=C[C@H]3C=C[C@H]1[C@@H]2C=C3 101043675 ALKOMVSGHSDYAU-RTXFEEFZSA-N 188.294 2.134 5 40 AEBB O=[N+]([O-])c1cc(F)cc2[nH]ccc12 14985916 QPJOZMDIVCTTCI-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB in-vitro C[N+](C)(C)c1ccc2ccccc2n1 31947635 SOSUFSOHMRCMBN-UHFFFAOYSA-N 187.266 2.432 5 40 AEBB O=[N+]([O-])c1cc(F)cc2cccnc12 5162170 LDSAYITYLRHGQV-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB in-vitro O=[N+]([O-])c1cc(Cl)cc2cn[nH]c12 14985810 KQHCCQUSXVZFIZ-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB in-vitro Cc1ncn(C2CCCC2)c1[N+](=O)[O-] 408716424 MUUUNCHXUMWBJW-UHFFFAOYSA-N 195.222 2.215 5 40 AEBB Cc1c(N(C)C)ccc([N+](=O)[O-])c1C 96316037 GQEWZWNWYPFLQR-UHFFFAOYSA-N 194.234 2.278 5 40 AEBB Nc1cccc2nc3ccccc3nc12 31302711 QWUFXJHVFNRNCU-UHFFFAOYSA-N 195.225 2.365 5 40 AEBB O=[N+]([O-])c1ccc2ccoc2c1 39136403 MVAAPOPRANVBMT-UHFFFAOYSA-N 163.132 2.341 5 40 AEBB O=[N+]([O-])c1c(F)ccc2cccnc12 5162172 JGPOCZXCLWHQFM-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB O=[N+]([O-])c1ccccc1C1CC1 2145680 VANZICVFDGMCIU-UHFFFAOYSA-N 163.176 2.472 5 40 AEBB O=[N+]([O-])c1c[nH]nc1C1CCCCC1 42415218 SJYQTFKYTJTYOU-UHFFFAOYSA-N 195.222 2.366 5 40 AEBB C[N+]1(C)CCC2=C[C@H]3C=C[C@@H]2[C@@H]1C=C3 1711620 ALKOMVSGHSDYAU-DRZSPHRISA-N 188.294 2.134 5 40 AEBB O=C1CCCc2cc([N+](=O)[O-])ccc21 40434606 RKSKZEHRRQUBEJ-UHFFFAOYSA-N 191.186 2.114 5 40 AEBB C[N+]1(Cc2ccccc2)CCCC1 59641058 WAIZNNRHRSQOFC-UHFFFAOYSA-N 176.283 2.427 5 40 AEBB O=[N+]([O-])Cc1cccc(Cl)c1 84915862 HBDVLCNYKBOPPO-UHFFFAOYSA-N 171.583 2.117 5 40 AEBB Cc1cc([N+](=O)[O-])c2ncccc2c1 1621043 APXIIWAJZKHFIV-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB Cc1c([N+]#N)cccc1[N+](=O)[O-] 4743130 XPKUDDMBFBOKRD-UHFFFAOYSA-N 164.144 2.388 5 40 AEBB C[C@H](F)COc1ccc([N+](=O)[O-])cc1 1083811825 VDPSTOKAPOLTLF-ZETCQYMHSA-N 199.181 2.332 5 40 AEBB CCCCCC[N+](C)(C)[O-] 2572153 YYRMITYYFKZLLJ-UHFFFAOYSA-N 145.246 2.141 5 40 AEBB COc1cccc2[nH]cc([N+](=O)[O-])c12 34867376 QAVPABKRVPRADC-UHFFFAOYSA-N 192.174 2.085 5 40 AEBB CC(C)(CNc1ccccc1)[N+](=O)[O-] 1759100 VXMCOYAYZHUGIT-UHFFFAOYSA-N 194.234 2.154 5 40 AEBB CC(=S)Nc1cccc([N+](=O)[O-])c1 34163274 PTHUDJPAGUDFHR-UHFFFAOYSA-N 196.231 2.354 5 40 AEBB in-vitro O=c1cc[nH]c2ccc3ncccc3c12 28713563 BMOOBRZMKCYUME-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB O=[N+]([O-])c1c[nH]c2cc(F)c(F)cc12 675068646 RINNYXGZXYYHFH-UHFFFAOYSA-N 198.128 2.354 5 40 AEBB CCc1cc([N+](=O)[O-])c(OC)cc1F 95080085 PKSQQMMVEVQWDK-UHFFFAOYSA-N 199.181 2.305 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)CCCCN2 34754479 HWOWTNBPVSVMNF-UHFFFAOYSA-N 192.218 2.343 5 40 AEBB in-vitro Cc1ccc([N+](=O)[O-])c2ncccc12 33950279 PJUFTRGYNSXIDE-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB CC(=O)Cc1c(C)cccc1[N+](=O)[O-] 253631989 JPOWMPPIBLNNJU-UHFFFAOYSA-N 193.202 2.035 5 40 AEBB O=[N+]([O-])c1cccc([C@@H](O)C2CC2)c1 1537958128 LVMVLQIABONHSU-JTQLQIEISA-N 193.202 2.038 5 40 AEBB CC(C)c1ccc(O)c([N+](=O)[O-])c1 32166922 QYODOKUESLGDSA-UHFFFAOYSA-N 181.191 2.424 5 40 AEBB CSc1cc(O)ccc1[N+](=O)[O-] 96341564 MAHRYQFYCWBISP-UHFFFAOYSA-N 185.204 2.022 5 40 AEBB Cc1nc2ccccc2cc1[N+](=O)[O-] 14983223 CZWHVUCAESEVTE-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB Cn1cc([N+](=O)[O-])c2ccccc21 14614119 SDNGVFXIFVLBAJ-UHFFFAOYSA-N 176.175 2.087 5 40 AEBB in-vitro O=[N+]([O-])c1ccc([C@@H]2N=CN=N2)cc1 5769049 MXMTZFGAGBVWPG-MRVPVSSYSA-N 190.162 2.088 5 40 AEBB C[C@@H](Cc1ccc(F)cc1)[N+](=O)[O-] 95863047 BOFIUSOZBQKURU-ZETCQYMHSA-N 183.182 2.033 5 40 AEBB Nc1c2ccccc2cc2cccc[n+]12 1870602 QSEOMKGSHXVTNC-UHFFFAOYSA-O 195.245 2.161 5 40 AEBB Cc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1 21983690 SQHQCZUODQEUMT-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB in-vitro Cc1cn(C2CCCC2)nc1[N+](=O)[O-] 72209597 VJOVMZDBOHSNFB-UHFFFAOYSA-N 195.222 2.215 5 40 AEBB Cc1cc([N+](=O)[O-])cc2cccnc12 22142021 YWPCEVGGEXXTQG-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB CN(C)Sc1ccccc1[N+](=O)[O-] 342720 JRSDDRLHIUFQFH-UHFFFAOYSA-N 198.247 2.164 5 40 AEBB COc1ccc(/C=C/[N+](=O)[O-])cc1C 566624 LAMXEJOXLDYCDS-AATRIKPKSA-N 193.202 2.251 5 40 AEBB COc1cc(C)c(F)cc1[N+](=O)[O-] 39038901 ZDFSGAVCCAHLHZ-UHFFFAOYSA-N 185.154 2.051 5 40 AEBB CCc1cc([N+](=O)[O-])ccc1NC 148949867 NZTYFPDXIYWHFQ-UHFFFAOYSA-N 180.207 2.199 5 40 AEBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 2160168 FHCBGLKAGXVKHS-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB in-vitro CC(=O)[C@@H]1CCCC[C@@H]1/C=C/[N+](=O)[O-] 5712598 XTHPQJZNZALQTH-YJOJJWFDSA-N 197.234 2.172 5 40 AEBB O=[N+]([O-])Cc1ccccc1Cl 113525340 VDEXMYMRDWWWAE-UHFFFAOYSA-N 171.583 2.117 5 40 AEBB O=[N+]([O-])c1ccccc1C1=NCCC1 1772715300 ROOZNCRQVNSQQT-UHFFFAOYSA-N 190.202 2.178 5 40 AEBB CC(C)(C)c1ccc([N+](=O)[O-])c(N)c1 4087001 SXKXVEBWNNCSSE-UHFFFAOYSA-N 194.234 2.475 5 40 AEBB O=[N+]([O-])c1cc(Cl)c2ocnc2c1 144077004 HWBXAXYHJHRZNP-UHFFFAOYSA-N 198.565 2.389 5 40 AEBB CC(C)C(=O)c1ccc([N+](=O)[O-])o1 1583727 GMDSNHVMAXAUTM-UHFFFAOYSA-N 183.163 2.027 5 40 AEBB CC[N+](C)(C)c1ccccc1 1627261 OZBUYAXBRBBLTB-UHFFFAOYSA-N 150.245 2.273 5 40 AEBB C[N+]1(C)CCC2=C[C@@H]3C=C[C@@H]2[C@@H]1C=C3 103861272 ALKOMVSGHSDYAU-WXHSDQCUSA-N 188.294 2.134 5 40 AEBB C[C@H](F)COc1cccc([N+](=O)[O-])c1 1083811667 AHYYUGQSVDYTIK-ZETCQYMHSA-N 199.181 2.332 5 40 AEBB C[C@@]1(C[N+](C)(C)C)C[C@@H]2C=C[C@H]1C2 4915134 CYNGRISEYDKTSR-WOPDTQHZSA-N 180.315 2.295 5 40 AEBB Cc1[nH]c2ccccc2c1[N+](=O)[O-] 35287655 TUTUZMZYSZMLBL-UHFFFAOYSA-N 176.175 2.385 5 40 AEBB Nc1ccc([N+](=O)[O-])c2c1CCCC2 71404327 XLIJWXXMBCYZET-UHFFFAOYSA-N 192.218 2.056 5 40 AEBB CSc1cc(C)c([N+](=O)[O-])cn1 39222703 MBBGZQWMPOXQMR-UHFFFAOYSA-N 184.220 2.020 5 40 AEBB Cc1ccc(C)c([N+](=O)[O-])c1[N+](=O)[O-] 4644853 ZCFSWYZFGJAUKK-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB in-vitro O=[N+]([O-])c1cccnc1C(F)(F)F 34467118 ZVSULEMXEYSULW-UHFFFAOYSA-N 192.096 2.009 5 40 AEBB CC(C)c1ccc([N+](=O)[O-])c(O)c1 34224531 QJJGPZTVVISLNI-UHFFFAOYSA-N 181.191 2.424 5 40 AEBB O=c1cc[nH]c2c1ccc1ncccc12 6513535 GCXIAPONMJEKKU-UHFFFAOYSA-N 196.209 2.076 5 40 AEBB Cc1ccccc1/C=C/[N+](=O)[O-] 2244038 HOATZZMHBCWHOJ-VOTSOKGWSA-N 163.176 2.242 5 40 AEBB in-vitro O=[N+]([O-])c1ccc2ccccc2n1 5422378 UDAIGHZFMLGNDQ-UHFFFAOYSA-N 174.159 2.143 5 40 AEBB C[N+]1(Cc2ccco2)CCCCC1 5732631 XLAJLNVGZYVKOT-UHFFFAOYSA-N 180.271 2.410 5 40 AEBB O=[N+]([O-])c1cccc(CF)c1 39399435 LMBGIKKCVSXJER-UHFFFAOYSA-N 155.128 2.064 5 40 AEBB Cc1ccc2ccc3nccnc3c2n1 96029313 XYRSTZSGIJHFNT-UHFFFAOYSA-N 195.225 2.486 5 40 AEBB Cc1ccc(NC2CC2)cc1[N+](=O)[O-] 61700662 ZGBBDQZUPKGWLW-UHFFFAOYSA-N 192.218 2.478 5 40 AEBB O=[N+]([O-])c1cc(F)c2cc[nH]c2c1 14983736 MJDKZVMNNAZOJO-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB Cc1cc2c([N+](=O)[O-])cccc2n1C 62520635 GBSKZFCYJKXRTO-UHFFFAOYSA-N 190.202 2.395 5 40 AEBB CC[N+](C)(C)Cc1ccccc1OC 1691042 NOQNZWQXKMLSCD-UHFFFAOYSA-N 194.298 2.292 5 40 AEBB CC[C@@H](N)c1cccc([N+](=O)[O-])c1 36720007 ONWQSIRAWSRGBH-SECBINFHSA-N 180.207 2.005 5 40 AEBB in-vitro O=[N+]([O-])c1cc(Cl)c2[nH]ncc2c1 1395211 YMEJTHJTNCGFPD-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB CC1(C)COc2cc([N+](=O)[O-])ccc21 113856136 BSBZSGFNZIEDEM-UHFFFAOYSA-N 193.202 2.265 5 40 AEBB O=[N+]([O-])c1c(Cl)ccc2[nH]ncc12 89196478 JIPHMTNGMPSQHL-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB O=[N+]([O-])c1ccc(S)c(F)c1 95829609 GNXHAALRDAHXLB-UHFFFAOYSA-N 173.168 2.023 5 40 AEBB O=[N+]([O-])C1C2CC3CC(C2)CC1C3 2020609 ZFSCSQSQXFIKKH-UHFFFAOYSA-N 181.235 2.088 5 40 AEBB Cc1ccc([N+](=O)[O-])c(N)c1Cl 4211616 FVBMJNOCUDGNTF-UHFFFAOYSA-N 186.598 2.139 5 40 AEBB Cc1cc(Cl)c(O)c([N+](=O)[O-])c1 39617902 SIYAPMJYXMMGBH-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB C[C@H]1CCCC[N+]12CCCC2 1646417 OBYXIYGMHYKCLX-JTQLQIEISA-N 154.277 2.169 5 40 AEBB C[N+](C)(C)c1ccc([N+](C)(C)C)cc1 2037283 YSHJWDAUUFQRFJ-UHFFFAOYSA-N 194.322 2.080 5 40 AEBB CCc1ccc(/C=C/[N+](=O)[O-])cc1 2244057 IZWSBQRAUOSJFM-BQYQJAHWSA-N 177.203 2.496 5 40 AEBB in-vitro Oc1cc2cccnc2c2ncccc12 38312780 SNBOLBZXDXGTEB-UHFFFAOYSA-N 196.209 2.489 5 40 AEBB Cc1cccc([N+](=O)[O-])c1NC1CC1 79438402 ALVOTJCTJYERSA-UHFFFAOYSA-N 192.218 2.478 5 40 AEBB in-vitro CC(C)NCc1ccccc1[N+](=O)[O-] 19386748 VFFNHRMFPPAZHT-UHFFFAOYSA-N 194.234 2.093 5 40 AEBB C[C@H](F)COc1ccccc1[N+](=O)[O-] 1565673186 WUFYRONDBZVBON-ZETCQYMHSA-N 199.181 2.332 5 40 AEBB O=[N+]([O-])c1cccc([C@H]2CCCN2)c1 19387491 GWKHUTICOQRERL-SNVBAGLBSA-N 192.218 2.019 5 40 AEBB CCC(CC)C[N+](C)(C)C 1709077 JAQBWINVZSHXLX-UHFFFAOYSA-N 144.282 2.129 5 40 AEBB CC[N+]1(C)Cc2ccccc2C1 1691045 TVDILEYIWBJBHK-UHFFFAOYSA-N 162.256 2.167 5 40 AEBB O=Cc1cc2cc([N+](=O)[O-])ccc2o1 14007933 NJHFCKIZFVVFTC-UHFFFAOYSA-N 191.142 2.154 5 40 AEBB in-vitro CC(C)c1cccc(N)c1[N+](=O)[O-] 694977154 VYQUBFAPMOPLGZ-UHFFFAOYSA-N 180.207 2.300 5 40 AEBB CC(C)c1cccc([N+](=O)[O-])c1O 20286847 RRFSVDKJKYCCEK-UHFFFAOYSA-N 181.191 2.424 5 40 AEBB in-vitro O=[N+]([O-])c1cccc(OCCCF)c1 196598955 IRQMNJVFYBCPCN-UHFFFAOYSA-N 199.181 2.333 5 40 AEBB CC(=O)CCc1ccc([N+](=O)[O-])cc1 36988224 BQCIKEHCNRRAKU-UHFFFAOYSA-N 193.202 2.116 5 40 AEBB in-vitro CCNc1ccc(C)cc1[N+](=O)[O-] 34256550 JLYSKLNFSYDFNS-UHFFFAOYSA-N 180.207 2.335 5 40 AEBB C[N+](C)(C)CSc1ccccc1 1688769 LRVSLZFZFFBLQU-UHFFFAOYSA-N 182.312 2.442 5 40 AEBB Cc1cc(N)c(C)c([N+](=O)[O-])c1C 345901 JBAZTQHUQJNKTJ-UHFFFAOYSA-N 180.207 2.102 5 40 AEBB Cc1cccc(/C=C/[N+](=O)[O-])c1 2244043 YYYVODQGPSIUNS-AATRIKPKSA-N 163.176 2.242 5 40 AEBB COc1ccccc1/C=C(/C)[N+](=O)[O-] 5411945 OFYVONMDKJKATB-FPLPWBNLSA-N 193.202 2.333 5 40 AEBB O=[N+]([O-])c1nccc2ccccc12 34589202 VDTUSEIYUROSGJ-UHFFFAOYSA-N 174.159 2.143 5 40 AEBB O=[N+]([O-])c1ccccc1-n1cccc1 138067 UQNRTIQURQZGKL-UHFFFAOYSA-N 188.186 2.386 5 40 AEBB in-vitro CCCC(=O)c1ccc([N+](=O)[O-])o1 1583726 JVMWZDLTKZXPRE-UHFFFAOYSA-N 183.163 2.171 5 40 AEBB O=[N+]([O-])c1cc2ocnc2cc1Cl 170458 KYZBUAFFLVOXMM-UHFFFAOYSA-N 198.565 2.389 5 40 AEBB in-vitro Nc1c([N+](=O)[O-])ccc2c1CCCC2 8764145 ZJEQNBOTNDJVNE-UHFFFAOYSA-N 192.218 2.056 5 40 AEBB CCCc1ccc(N)c([N+](=O)[O-])c1 15020216 UACSJWZBISFLIW-UHFFFAOYSA-N 180.207 2.130 5 40 AEBB O=[N+]([O-])c1cccc2oc(S)nc12 71981118 ONAAWIBLPPKLTQ-UHFFFAOYSA-N 196.187 2.025 5 40 AEBB O=[N+]([O-])c1ccc([C@H]2CCCN2)cc1 19273217 ZBPDTJUWRVZNPZ-SNVBAGLBSA-N 192.218 2.019 5 40 AEBB O=[N+]([O-])c1cc2c(nc1Cl)CCC2 96510610 FBUFUDGOWPDHBR-UHFFFAOYSA-N 198.609 2.132 5 40 AEBB CCC[C@@H](C)n1cc([N+](=O)[O-])cn1 71978645 WYQQYZLVSOSLDE-SSDOTTSWSA-N 183.211 2.152 5 40 AEBB O=[N+]([O-])c1cccc2oc(Cl)nc12 83983736 JQADUQJCCASNNB-UHFFFAOYSA-N 198.565 2.389 5 40 AEBB O=[N+]([O-])c1n[nH]c2ccc(Cl)cc12 89195920 IPAIAVVOZOGDIQ-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB CC(C)n1ncc([N+](=O)[O-])c1Cl 95097395 BOTAAAPXEKNZPW-UHFFFAOYSA-N 189.602 2.026 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)CCCC2 4342893 OMJAUAQKUSAPIJ-UHFFFAOYSA-N 177.203 2.474 5 40 AEBB CC[N+](CC)(CC)CC(F)F 2525288 XRHUNQCLXGSFLR-UHFFFAOYSA-N 166.235 2.128 5 40 AEBB C[N+](C)(C)/C=C/c1ccccc1 1641101 PYYRANPBSQQMED-MDZDMXLPSA-N 162.256 2.364 5 40 AEBB N#[N+]c1ccccc1[N+](=O)[O-] 6095483 AYTSDBGAHOKDHJ-UHFFFAOYSA-N 150.117 2.079 5 40 AEBB in-vitro O=[N+]([O-])c1csc2cnccc12 480669 GZBARRPAGIDRLX-UHFFFAOYSA-N 180.188 2.205 5 40 AEBB CCOc1cccc(C)c1[N+](=O)[O-] 345695 WGFLARGSCSNUAG-UHFFFAOYSA-N 181.191 2.302 5 40 AEBB C[N+](C)(C)[C@H]1C[C@@H]1c1ccccc1 1254743 XMQAHSZRAOPFJH-NEPJUHHUSA-N 176.283 2.249 5 40 AEBB CC[N+]1(C)CC2CCC(CC2)C1 1609663 AFJDLJMCNOGZFT-UHFFFAOYSA-N 168.304 2.273 5 40 AEBB Cc1c([N+](=O)[O-])ccc2ncccc12 39214250 FLXLJDXYCHLQFQ-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB Cc1nn(C2CCCC2)cc1[N+](=O)[O-] 12396770 KIGBAMUJRAMXSD-UHFFFAOYSA-N 195.222 2.215 5 40 AEBB CC[N+]1(CC)C[C@H]2CC[C@H]1C2 104067680 NGYWTSGYWOEPLB-UWVGGRQHSA-N 154.277 2.025 5 40 AEBB CC(C)(C)c1c(N)cccc1[N+](=O)[O-] 346018 PFYKLNWXXNQPQA-UHFFFAOYSA-N 194.234 2.475 5 40 AEBB CCCCCCn1ccc([N+](=O)[O-])n1 67799393 VPXHAPJCHMANCA-UHFFFAOYSA-N 197.238 2.372 5 40 AEBB CCCSc1ccc([N+](=O)[O-])cn1 308499774 WBJWOQLJGMXRBF-UHFFFAOYSA-N 198.247 2.492 5 40 AEBB C[C@H](Cc1ccc(F)cc1)[N+](=O)[O-] 2524658 BOFIUSOZBQKURU-SSDOTTSWSA-N 183.182 2.033 5 40 AEBB O=[N+]([O-])c1ccc2[nH]ccc2c1F 89204449 UTYWHDIQWCMUNW-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)C=CC2 1691224 OHNKSVVCUPOUDJ-UHFFFAOYSA-N 161.160 2.164 5 40 AEBB CCc1sc(C=O)cc1[N+](=O)[O-] 66347 TVCPFYFGGAODIR-UHFFFAOYSA-N 185.204 2.031 5 40 AEBB O=[N+]([O-])c1ccc2cnccc2c1 16698244 TWQCVIUEUQDOEH-UHFFFAOYSA-N 174.159 2.143 5 40 AEBB CC(=O)[C@H]1CCCC[C@@H]1/C=C/[N+](=O)[O-] 5712810 XTHPQJZNZALQTH-UHHSMLKOSA-N 197.234 2.172 5 40 AEBB C[N+]1(C)CCC2=C[C@@H]3C=C[C@H]1[C@@H]2C=C3 101043674 ALKOMVSGHSDYAU-UHTWSYAYSA-N 188.294 2.134 5 40 AEBB CC(=O)CCc1ccccc1[N+](=O)[O-] 37479130 ZVNWPIWCTWRCHX-UHFFFAOYSA-N 193.202 2.116 5 40 AEBB in-vitro CCN(O)c1ccc(C)cc1[N+](=O)[O-] 72232700 CAYMMNQNRWSTCE-UHFFFAOYSA-N 196.206 2.119 5 40 AEBB CCCn1nc([N+](=O)[O-])cc1C1CC1 12398096 YGKRXDCFXAEQHY-UHFFFAOYSA-N 195.222 2.079 5 40 AEBB Cc1cnc2c([N+](=O)[O-])cccc2c1 44564051 DWHMTTROZUHZMC-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB O=[N+]([O-])c1cccc(-c2cocn2)c1 38283360 XZAOBFPZZWWNMY-UHFFFAOYSA-N 190.158 2.250 5 40 AEBB C[N+](C)(C)Cc1cc2ccccc2[nH]1 1733809 LPZCYMUDPBVDSX-UHFFFAOYSA-N 189.282 2.374 5 40 AEBB Cc1nc2c([N+](=O)[O-])c(C)ccc2[nH]1 5885207 ZDKNXWAFKNYXFI-UHFFFAOYSA-N 191.190 2.088 5 40 AEBB CC(C)[C@@H](O)c1cccc([N+](=O)[O-])c1 76494899 YYAVHSUFETXSJL-SNVBAGLBSA-N 195.218 2.284 5 40 AEBB Cc1cc([N+](=O)[O-])cc2ncoc12 216750513 JMXKPJUBHMMFSX-UHFFFAOYSA-N 178.147 2.044 5 40 AEBB C[N+](C)(C)/C=C\c1ccccc1 104037668 PYYRANPBSQQMED-KTKRTIGZSA-N 162.256 2.364 5 40 AEBB CC[N+]1(CC)C[C@@H]2CC[C@@H]1C2 104067674 NGYWTSGYWOEPLB-NXEZZACHSA-N 154.277 2.025 5 40 AEBB O=[N+]([O-])c1cc2[nH]cnc2cc1Cl 40545040 VMFIEKLTKRYYBU-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB O=[N+]([O-])c1cc(F)cc2cc[nH]c12 96321001 JBRVVXZFLROXOL-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB in-vitro C/C=C/C[N+](CC)(CC)CC 3164407 ANCIIONCUZVYLG-WEVVVXLNSA-N 156.293 2.439 5 40 AEBB Cc1cc(F)c(N(C)C)cc1[N+](=O)[O-] 306546283 ALASDIOGMWXFBO-UHFFFAOYSA-N 198.197 2.108 5 40 AEBB CCCC(CCC)[N+](=O)[O-] 1666931 VLLMCHZIPCTRHD-UHFFFAOYSA-N 145.202 2.232 5 40 AEBB COc1ccc([N+](=O)[O-])cc1[N+]#N 6018700 BUADGGPZZZMHBR-UHFFFAOYSA-N 180.143 2.088 5 40 AEBB C/C(=C/c1ccsc1)[N+](=O)[O-] 330611 XZGOEBZNMJQGQL-XQRVVYSFSA-N 169.205 2.386 5 40 AEBB CC(C)c1cc(N)c(O)c([N+](=O)[O-])c1 73642794 IGUDZAQCWVGVBZ-UHFFFAOYSA-N 196.206 2.006 5 40 AEBB COc1cc(C)c(C)c([N+](=O)[O-])c1 14986274 UZOJCEQCLYNEPS-UHFFFAOYSA-N 181.191 2.220 5 40 AEBB in-vitro O=[N+]([O-])c1cccc2[nH]c(Cl)nc12 34361581 IDHWSFVCVDTHNI-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB CCNc1cccc([N+](=O)[O-])c1C 35229027 XFDKEOILEQIBKF-UHFFFAOYSA-N 180.207 2.335 5 40 AEBB Nc1ccc2ccc3cccc[n+]3c2c1 336862 XJBARQYBLOTCGR-UHFFFAOYSA-O 195.245 2.161 5 40 AEBB C[N+](C)(C)[C@@H]1C[C@H]1c1ccccc1 1254742 XMQAHSZRAOPFJH-NWDGAFQWSA-N 176.283 2.249 5 40 AEBB O=[N+]([O-])c1ccc(C(F)(F)F)o1 68590932 KBVPUCUGOQHOGI-UHFFFAOYSA-N 181.069 2.207 5 40 AEBB in-vitro O=c1ccc2c(ccc3ncccc32)o1 11535865 ROVZMKXAGDXPJB-UHFFFAOYSA-N 197.193 2.341 5 40 AEBB Cc1cc2ccc([N+](=O)[O-])cn2c1 1607733 MAZOIJIDRZDDKK-UHFFFAOYSA-N 176.175 2.156 5 40 AEBB O=[N+]([O-])c1cc(-c2ccn[nH]2)cs1 480672 DJMGPXMZFVEYGV-UHFFFAOYSA-N 195.203 2.046 5 40 AEBB C[N+](C)(C)[C@H]1C[C@H]1c1ccccc1 1254741 XMQAHSZRAOPFJH-RYUDHWBXSA-N 176.283 2.249 5 40 AEBB C[C@@]1(C[N+](C)(C)C)C[C@H]2C=C[C@@H]1C2 169401860 CYNGRISEYDKTSR-TUAOUCFPSA-N 180.315 2.295 5 40 AEBB Cc1cc([N+](=O)[O-])c2ccccc2n1 14983225 VPADYBIJEXXKLO-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB C[C@@H](F)COc1cccc([N+](=O)[O-])c1 1083811666 AHYYUGQSVDYTIK-SSDOTTSWSA-N 199.181 2.332 5 40 AEBB O=[N+]([O-])c1ccc(F)c2ccoc12 34334075 QWWNDRWADPRAGO-UHFFFAOYSA-N 181.122 2.480 5 40 AEBB CC[C@H](N)c1ccc([N+](=O)[O-])cc1 75416890 WLNPAEJYFNAKKH-VIFPVBQESA-N 180.207 2.005 5 40 AEBB Nc1ccc2nc3ccccc3nc2c1 5174368 RHQTYDDJBYBCQV-UHFFFAOYSA-N 195.225 2.365 5 40 AEBB O=[N+]([O-])c1ccc(F)c2cccnc12 5162094 VUOBTOAOYYTUMC-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB in-vitro O=[N+]([O-])c1cccc2c1[C@H]1[C@H]3C[C@H]2[C@@H]31 104289254 OCVSRBZKAZIWQV-UAPOJFLHSA-N 187.198 2.425 5 40 AEBB Cc1cnc2cccc([N+](=O)[O-])c2c1 1722854 YWIZXDYNJNYJGS-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB Cc1c[nH]c2c([N+](=O)[O-])cccc12 89204155 GZRVOGFFSZRUDC-UHFFFAOYSA-N 176.175 2.385 5 40 AEBB CCc1cc([N+](=O)[O-])ccc1N(C)C 226315896 AUGXWUFUEVQVDT-UHFFFAOYSA-N 194.234 2.223 5 40 AEBB O=[N+]([O-])c1cc(O)cc2ccccc12 39642039 FXDHOYREAWONLZ-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB Cc1c(F)cc(F)c([N+](=O)[O-])c1F 60125079 OCVQTKVLCRLWAY-UHFFFAOYSA-N 191.108 2.321 5 40 AEBB C[C@@H](F)COc1ccc([N+](=O)[O-])cc1 1083811824 VDPSTOKAPOLTLF-SSDOTTSWSA-N 199.181 2.332 5 40 AEBB C[N+](C)(C)c1ccc([N+]#N)cc1 5218068 SVZIAFPYRMWMCG-UHFFFAOYSA-N 163.224 2.368 5 40 AEBB in-vitro CCNc1cccc([N+](=O)[O-])c1 5312186 HTVZQOWXJLNSFO-UHFFFAOYSA-N 166.180 2.027 5 40 AEBB O=[N+]([O-])c1ccc(Cl)c2cn[nH]c12 4353785 MGCGMFQHBXYECU-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB in-vitro C[n+]1cc2cccnc2c2ccccc21 331419 IBODYSSLGFOYFW-UHFFFAOYSA-N 195.245 2.213 5 40 AEBB CC(=O)c1cc([N+](=O)[O-])c(C)cc1C 3122470 HKWHXCZNPRLETD-UHFFFAOYSA-N 193.202 2.414 5 40 AEBB Nc1ccc2cccc([N+](=O)[O-])c2c1 19938669 FGLPIWSCAOGYBA-UHFFFAOYSA-N 188.186 2.330 5 40 AEBB C1CCC[N+]2(CC1)CCCC2 1646418 VNUXAPVEPNRKNT-UHFFFAOYSA-N 154.277 2.171 5 40 AEBB CC[N+](CC)(CC)CCCF 72266197 GLPOPYQXJOUMLL-UHFFFAOYSA-N 162.272 2.223 5 40 AEBB Nc1c([N+](=O)[O-])ccc2ccccc12 4013048 SMAJHKXZBICXLS-UHFFFAOYSA-N 188.186 2.330 5 40 AEBB CCCn1nc(C2CC2)cc1[N+](=O)[O-] 12398089 AJUOVYLQYVZVMP-UHFFFAOYSA-N 195.222 2.079 5 40 AEBB Cc1cc2c([N+](=O)[O-])cccc2cn1 13284344 ACENGYNMIBHPKD-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB in-vitro CC(C)(C)c1ccc([N+](=O)[O-])cc1N 345889 WDAPBIPOUWCMPK-UHFFFAOYSA-N 194.234 2.475 5 40 AEBB in-vitro Cc1cc(Cl)cc(N)c1[N+](=O)[O-] 38672163 UZZYMOHCRGMSCN-UHFFFAOYSA-N 186.598 2.139 5 40 AEBB CC(=O)c1ccc(C[N+](C)(C)C)cc1 2381226 OKOYPYSDVQITNZ-UHFFFAOYSA-N 192.282 2.095 5 40 AEBB CCNc1ccc([N+](=O)[O-])cc1C 4115620 AIZFIOAJOLYZST-UHFFFAOYSA-N 180.207 2.335 5 40 AEBB O=[N+]([O-])c1ccc2csnc2c1 39192160 BOFCVHQQACRTKT-UHFFFAOYSA-N 180.188 2.205 5 40 AEBB O=c1c2ccccc2oc2ccncc12 38887040 FQBZYKCEPGMXSU-UHFFFAOYSA-N 197.193 2.341 5 40 AEBB CC[C@H](O)c1cccc([N+](=O)[O-])c1 34449522 LSEJDXFJBNGGBI-VIFPVBQESA-N 181.191 2.038 5 40 AEBB in-vitro O=[N+]([O-])c1cc(O)cc2ccoc12 78496473 ZRKWYFMNUJHRMS-UHFFFAOYSA-N 179.131 2.047 5 40 AEBB Cc1cc([N+](=O)[O-])c2c(c1O)CCC2 39114872 BJMAIIRQVRRZMF-UHFFFAOYSA-N 193.202 2.098 5 40 AEBB Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 64220319 AZOJNADMDJQIBV-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB [C-]#[N+]c1ccc(OC)c([N+](=O)[O-])c1 104513879 GSNOHWRSPYYKTN-UHFFFAOYSA-N 178.147 2.154 5 40 AEBB O=[N+]([O-])c1c(Cl)cnc2[nH]ccc12 44712695 MDYBFDVRXOYKJT-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB in-vitro Cc1nc2cc(F)c([N+](=O)[O-])cc2o1 34109661 PXORJXRXQSDPHW-UHFFFAOYSA-N 196.137 2.184 5 40 AEBB Cc1ccc2cccnc2c1[N+](=O)[O-] 245183 ZZDTVYJYMRSNQL-UHFFFAOYSA-N 188.186 2.451 5 40 AEBB in-vitro CC(=O)c1cc(F)cc([N+](=O)[O-])c1C 71790058 RNJDBIDHNPTLQV-UHFFFAOYSA-N 197.165 2.245 5 40 AEBB O=[N+]([O-])c1ccc2ccc(O)cc2c1 2021874 PEUWECFMAMZFKM-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB O=[N+]([O-])c1ccc(CF)cc1 34540068 CJFHTFLZNPFBKF-UHFFFAOYSA-N 155.128 2.064 5 40 AEBB C/C(=C/c1cccs1)[N+](=O)[O-] 97908 HMPLFCAOIJOKGX-WAYWQWQTSA-N 169.205 2.386 5 40 AEBB C/C(=C\c1ccc(O)cc1)[N+](=O)[O-] 5085466 PWVYGCHRAHNBFI-VOTSOKGWSA-N 179.175 2.030 5 40 AEBB CCCC[N+](C)(CCO)CCCC 3631464 LERGNLHMQHBKIS-UHFFFAOYSA-N 188.335 2.026 5 40 AEBB CNc1cccc(Cl)c1[N+](=O)[O-] 96373363 ZMBXPFROSLWNDZ-UHFFFAOYSA-N 186.598 2.290 5 40 AEBB O=[N+]([O-])c1cccc([C@@H]2CCCN2)c1 19387488 GWKHUTICOQRERL-JTQLQIEISA-N 192.218 2.019 5 40 AEBB O=[N+]([O-])c1c(F)ccc2ncccc12 5162090 LXLFTPABKFODKX-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB in-vitro CC(C)(C)CC(C)(C)[N+](=O)[O-] 1666937 CUEFTLGHWYSCTO-UHFFFAOYSA-N 159.229 2.478 5 40 AEBB O=[N+]([O-])c1ccc(F)c2cc[nH]c12 44185203 CWMVCUWWLTZDNF-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB in-vitro O=[N+]([O-])c1ccc(Cl)s1 34144090 ICZXWJPHHWNISM-UHFFFAOYSA-N 163.585 2.310 5 40 AEBB in-vitro O=[N+]([O-])C1C2C[C@H]3C[C@@H](C2)C[C@@H]1C3 2049247809 ZFSCSQSQXFIKKH-KOLBNNAPSA-N 181.235 2.088 5 40 AEBB Cc1ccc(C[N+](C)(C)C)cc1 1575607 WSFDRHZUAHDHDN-UHFFFAOYSA-N 164.272 2.201 5 40 AEBB CC(=O)c1cccc(C)c1[N+](=O)[O-] 2556135 DUCHUNIEWUJFKM-UHFFFAOYSA-N 179.175 2.106 5 40 AEBB O=[N+]([O-])c1ccc(C2CC2)cc1 1756742 NWKFTTYCSJGVPB-UHFFFAOYSA-N 163.176 2.472 5 40 AEBB in-vitro CCCNc1cccc([N+](=O)[O-])c1 35367406 YNDCZIHAGOFRFB-UHFFFAOYSA-N 180.207 2.417 5 40 AEBB in-vitro Cc1ccc(Cl)c(N)c1[N+](=O)[O-] 39439517 LDVJFOGPVXUAGY-UHFFFAOYSA-N 186.598 2.139 5 40 AEBB Cc1ccc([N+](=O)[O-])cc1NC1CC1 53734366 CZMKVONAHSDGJG-UHFFFAOYSA-N 192.218 2.478 5 40 AEBB Nc1cc2ncccc2c2ncccc12 4830690 QGHBJBNEKVWDKS-UHFFFAOYSA-N 195.225 2.365 5 40 AEBB C[n+]1cccc2ccc3cccnc3c21 392726 OMFCMNFXRVWLSZ-UHFFFAOYSA-N 195.245 2.213 5 40 AEBB O=[N+]([O-])c1cccc2c(F)ccnc12 1857780333 ONWBERNBASBLDM-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB CCOc1ccc(F)cc1[N+](=O)[O-] 67800632 UERNJNZUJBOYAI-UHFFFAOYSA-N 185.154 2.133 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H]2[C@@H]13 101037242 DXHMVSFAENACAT-MMWGEVLESA-N 187.198 2.425 5 40 AEBB Cc1cc([N+](=O)[O-])n(C2CCCC2)n1 12394932 OWEPVAKIMYCUOQ-UHFFFAOYSA-N 195.222 2.215 5 40 AEBB CNc1cc(C)c(F)cc1[N+](=O)[O-] 71289179 KVUXLOXPBSOVGF-UHFFFAOYSA-N 184.170 2.084 5 40 AEBB CCC(CC)n1cc([N+](=O)[O-])cn1 67799360 UHPBXHJEKVYDKB-UHFFFAOYSA-N 183.211 2.152 5 40 AEBB CC[C@@H](N)c1ccc([N+](=O)[O-])cc1 75416891 WLNPAEJYFNAKKH-SECBINFHSA-N 180.207 2.005 5 40 AEBB CCOc1ccccc1/C=C/[N+](=O)[O-] 1687851 JDHDLWAVJFXTON-BQYQJAHWSA-N 193.202 2.333 5 40 AEBB O=[N+]([O-])c1ccc2c(O)cccc2c1 39424641 VOBPSSPZWWISCT-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB CCC[C@@H](C)n1ccc([N+](=O)[O-])n1 67799298 GIUGJFYUNXUHBU-SSDOTTSWSA-N 183.211 2.152 5 40 AEBB O=[N+]([O-])Cc1ccc(Cl)cc1 1697344 KNOZMCIHCIMLDY-UHFFFAOYSA-N 171.583 2.117 5 40 AEBB O=c1cccc2c3ccccc3ccn12 1586185 GVSAARYACCSJNI-UHFFFAOYSA-N 195.221 2.453 5 40 AEBB O=[N+]([O-])c1cccc2c(O)cccc12 1675748 RIXNIZKEKXPLIT-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB CNc1c(C)cc(C)cc1[N+](=O)[O-] 39038746 LGBORVMVRWWYMO-UHFFFAOYSA-N 180.207 2.253 5 40 AEBB O=c1ccc2nc3ccccc3oc-2c1 6118734 UOMHBFAJZRZNQD-UHFFFAOYSA-N 197.193 2.293 5 40 AEBB C[N+](C)(C)C1CCCCCC1 37634315 OTJSLMNEAZNYCO-UHFFFAOYSA-N 156.293 2.415 5 40 AEBB O=[N+]([O-])c1cc(Cl)cc2c1OCC2 95829239 DUNYELSULQJEHT-UHFFFAOYSA-N 199.593 2.183 5 40 AEBB in-vitro CC(=O)c1c(F)ccc([N+](=O)[O-])c1C 307431256 WQMRJYLNUMVUSK-UHFFFAOYSA-N 197.165 2.245 5 40 AEBB CCC(=O)c1ccccc1[N+](=O)[O-] 1581310 IRECTDZFQAWHEC-UHFFFAOYSA-N 179.175 2.188 5 40 AEBB in-vitro Nc1sc2c(c1[N+](=O)[O-])CCCC2 106852311 HZNAYERNAPSSRU-UHFFFAOYSA-N 198.247 2.117 5 40 AEBB COc1cc([N+](=O)[O-])ccc1SC 32234363 JLUUUVWUQOOLLC-UHFFFAOYSA-N 199.231 2.325 5 40 AEBB Cc1cc(C[N+](C)(C)C)oc1C 509278 ZPIQWZYDJDEACA-UHFFFAOYSA-N 168.260 2.103 5 40 AEBB Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C 5765119 IBJDGNVJTZEYRU-UHFFFAOYSA-N 196.162 2.120 5 40 AEBB Cc1ccccc1[N+](C)(C)[O-] 196241272 QVXHURRSEYIZKN-UHFFFAOYSA-N 151.209 2.060 5 40 AEBB C[n+]1cccc2c3cccnc3ccc21 196561236 XFELSLPMRXAKJQ-UHFFFAOYSA-N 195.245 2.213 5 40 AEBB O=[N+]([O-])c1ccc(-c2ccno2)cc1 158747 FVRVKMWZTNJREY-UHFFFAOYSA-N 190.158 2.250 5 40 AEBB in-vitro O=[N+]([O-])c1cc(F)c2[nH]ccc2c1 44185298 ZKQZDAXQBWVXRV-UHFFFAOYSA-N 180.138 2.215 5 40 AEBB CC[C@@]1([N+](=O)[O-])C[C@H]2C=C[C@H]1C2 100132898 NYZGRNLYVHILAU-XHNCKOQMSA-N 167.208 2.008 5 40 AEBB in-vitro Cc1cc2[nH]cnc2c([N+](=O)[O-])c1C 4002567 YOCFPELJWAVPDL-UHFFFAOYSA-N 191.190 2.088 5 40 AEBB CCc1cc(F)ccc1[N+](=O)[O-] 95725474 MQNMCCCUGXMTSZ-UHFFFAOYSA-N 169.155 2.296 5 40 AEBB O=[N+]([O-])c1ccc2cccc(O)c2c1 39424644 HWRPHGWDQCUEPK-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB O=[N+]([O-])c1ccc2c(c1)[C@H]1C[C@@H]3[C@@H]2[C@@H]13 101037240 DXHMVSFAENACAT-DBIOUOCHSA-N 187.198 2.425 5 40 AEBB O=[N+]([O-])c1c[nH]c2ncc(Cl)cc12 14007802 DEZAIQUWOITSPT-UHFFFAOYSA-N 197.581 2.125 5 40 AEBB in-vitro [C-]#[N+]c1ccc(OC)cc1[N+](=O)[O-] 104394351 USPQZZHWDJDWNB-UHFFFAOYSA-N 178.147 2.154 5 40 AEBB CCCOc1ccccc1[N+](=O)[O-] 32179171 IGIBTRWOXSIMMM-UHFFFAOYSA-N 181.191 2.384 5 40 AEBB CC(C)c1cc([N+](=O)[O-])ccc1O 14986159 YVSKFUMSIJTGTO-UHFFFAOYSA-N 181.191 2.424 5 40 AEBB in-vitro Cc1ccc([C@H](C)[N+](=O)[O-])cc1 1733868 UZBOCLNTFBKQNO-QMMMGPOBSA-N 165.192 2.333 5 40 AEBB CC1CC[N+]2(CCCCC2)CC1 1646422 NEGGJIFABNGLEZ-UHFFFAOYSA-N 168.304 2.417 5 40 AEBB Cc1ccc([N+]#N)c([N+](=O)[O-])c1 6070711 OAZDQIRBVZYONU-UHFFFAOYSA-N 164.144 2.388 5 40 AEBB C[N+]1(C)CCCc2ccccc21 34070908 JVPZDONYZVPJOY-UHFFFAOYSA-N 162.256 2.200 5 40 AEBB O=[N+]([O-])CSc1ccccc1 36466458 GJGUOMBYPKDBSS-UHFFFAOYSA-N 169.205 2.013 5 40 AEBB CC(C)c1cccc([N+](=O)[O-])c1N 39271607 YXWXCSITLKQDLA-UHFFFAOYSA-N 180.207 2.300 5 40 AEBB Nc1cccc2cccc([N+](=O)[O-])c12 335298 SOOKWSYBWVCXEB-UHFFFAOYSA-N 188.186 2.330 5 40 AEBB Cc1c(Cl)ccc(O)c1[N+](=O)[O-] 38611070 CPLAVZOCFVGOGO-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB C[N+](C)(C)[C@@H]1C[C@@H]1c1ccccc1 1254744 XMQAHSZRAOPFJH-VXGBXAGGSA-N 176.283 2.249 5 40 AEBB CC[N+](C)(N)Cc1ccccc1Cl 1694686 XKJCWCVJSYOSBW-UHFFFAOYSA-N 199.705 2.180 5 40 AEBB O=[N+]([O-])c1cccc2c1ccn2CF 685936430 XGNCVNCSHMHJEE-UHFFFAOYSA-N 194.165 2.477 5 40 AEBB CCCNCc1cccc([N+](=O)[O-])c1 6380501 MHSBRCGJOPIKLT-UHFFFAOYSA-N 194.234 2.094 5 40 AEBB Cc1cc(C)c([N+](=O)[O-])c(O)c1C 39603497 OUXNBPGXHOTWDU-UHFFFAOYSA-N 181.191 2.226 5 40 AEBB O=[N+]([O-])c1ccccc1CF 34189766 CISRHMUOOJKICE-UHFFFAOYSA-N 155.128 2.064 5 40 AEBB Cc1cc(Cl)c([N+](=O)[O-])cc1O 34154968 MODINVZWKNCELC-UHFFFAOYSA-N 187.582 2.262 5 40 AEBB in-vitro O=[N+]([O-])c1cccc2nc(F)ccc12 1857794540 XLAOWUAWZSOVKI-UHFFFAOYSA-N 192.149 2.282 5 40 AEBB O=[N+]([O-])c1conc1-c1ccccc1 4015221 AMMAGHYZRLGORW-UHFFFAOYSA-N 190.158 2.250 5 40 AEBB CCC[C@H](C)n1cc([N+](=O)[O-])cn1 71978646 WYQQYZLVSOSLDE-ZETCQYMHSA-N 183.211 2.152 5 40 AEBB Cc1cc2ocnc2c(C)c1[N+](=O)[O-] 96345785 GISBENQSCVUGIK-UHFFFAOYSA-N 192.174 2.353 5 40 AEBB C[C@]1(C[N+](C)(C)C)C[C@@H]2C=C[C@H]1C2 4915126 CYNGRISEYDKTSR-GRYCIOLGSA-N 180.315 2.295 5 40 AEBB Cc1ccc([N+](=O)[O-])cc1CF 98179662 HQCCNUDYTGZWNG-UHFFFAOYSA-N 169.155 2.373 5 40 AEBB Cc1cc2cc([N+](=O)[O-])ccc2n1C 1719560 XGUITPOMHSOVJA-UHFFFAOYSA-N 190.202 2.395 5 40 AEBB in-vitro CC(C)[C@H](O)c1cccc([N+](=O)[O-])c1 76494894 YYAVHSUFETXSJL-JTQLQIEISA-N 195.218 2.284 5 40 AEBB O=[N+]([O-])c1cc(Cl)cc(F)c1O 34370430 BTEQJDAZDBLPHU-UHFFFAOYSA-N 191.545 2.093 5 40 AEBB CC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 38866600 GLWASYDLRWSDQJ-UHFFFAOYSA-N 199.593 2.451 5 40 AEBB O=[N+]([O-])c1cc2ccccc2cc1O 71256626 MUELWRJOJXBHPA-UHFFFAOYSA-N 189.170 2.454 5 40 AEBB C/C(=C/c1ccc(F)cc1)[N+](=O)[O-] 101354 VOAXWARMFBBINZ-SREVYHEPSA-N 181.166 2.463 5 40 AEBB