smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C)c(C)c([N+](=O)[O-])c1C 1718037 WNDZFRDJVLAHBN-UHFFFAOYSA-N 179.219 2.828 5 50 AFBA CCCc1cc([N+](=O)[O-])ccc1F 669378328 ACDASZULHWITPL-UHFFFAOYSA-N 183.182 2.686 5 50 AFBA CC1(C)CC2CC[N+]1(C)C(C)(C)C2 1248983 VNSAIJRRZWPAMC-UHFFFAOYSA-N 182.331 2.804 5 50 AFBA in-vitro CCCc1ccc([N+](=O)[O-])c(F)c1 205530549 WVJAAJCWONFXJJ-UHFFFAOYSA-N 183.182 2.686 5 50 AFBA Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C 1569423 QQZPUGDUSPXQEI-UHFFFAOYSA-N 190.202 2.693 5 50 AFBA Cc1cc(Cl)c(C)c([N+](=O)[O-])c1 14984258 ICVFACWRHDRTIM-UHFFFAOYSA-N 185.610 2.865 5 50 AFBA in-vitro CC(F)(F)c1cccc([N+](=O)[O-])c1 77011856 QRIVJDGDHLGQAR-UHFFFAOYSA-N 187.145 2.707 5 50 AFBA in-vitro CC(C)(C)Nc1ccccc1[N+](=O)[O-] 34480468 HIGVOOQGROZGET-UHFFFAOYSA-N 194.234 2.805 5 50 AFBA C[C@H]1CCC[N@+]1(C)c1ccccc1 1857798443 HENJBJIONXOYJT-AAEUAGOBSA-N 176.283 2.806 5 50 AFBA C[C@H]1CCC[C@@H](C[N+](C)(C)C)CC1 71785364 PWPIZYBKZSQYJI-NWDGAFQWSA-N 184.347 2.909 5 50 AFBA Cc1cc(C)c(C[N+](C)(C)C)cc1C 3080691 FXQBZYBKPMKOFH-UHFFFAOYSA-N 192.326 2.818 5 50 AFBA O=c1cccc2ccc3ccc[nH]c3c12 100491338 ZVFJWYZMQAEBMO-UHFFFAOYSA-N 195.221 2.681 5 50 AFBA O=[N+]([O-])c1cc(Cl)cc2[nH]ccc12 14984602 ACHKQFCKHUHNQJ-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro O=[N+]([O-])c1cccc(C(F)F)c1 12358984 QOGPXSPKXMNSLH-UHFFFAOYSA-N 173.118 2.532 5 50 AFBA c1ccc2cc3nccnc3cc2c1 39331189 XEMRLVBSKVCUDL-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA in-vitro CC[N+]1(CC)CCC[C@@H](C)[C@H]1C 1857797661 QUPNWQBGKWGRPI-GHMZBOCLSA-N 170.320 2.661 5 50 AFBA C/C(=C\c1ccc(C)cc1)[N+](=O)[O-] 50751 JEKFDNFWPBWEKO-VQHVLOKHSA-N 177.203 2.633 5 50 AFBA in-vitro O=[N+]([O-])c1ccc2sccc2c1 21982395 NOVKHIQVXQKSRL-UHFFFAOYSA-N 179.200 2.810 5 50 AFBA in-vitro O=c1[nH]c2ccccc2c2ccccc12 8580818 RZFVLEJOHSLEFR-UHFFFAOYSA-N 195.221 2.681 5 50 AFBA in-vitro C[C@@H]1CCC[N@@+]1(C)c1ccccc1 1857798444 HENJBJIONXOYJT-DGCLKSJQSA-N 176.283 2.806 5 50 AFBA O=[N+]([O-])c1ccc(C(F)F)cc1 12358981 RMHPWPAKPAVHTB-UHFFFAOYSA-N 173.118 2.532 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(F)c(Cl)c1F 61952 CTVBVNKEMCGZDF-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro Cc1cc([N+](=O)[O-])c(F)cc1Cl 21304527 YXVJHZWHPLOEAP-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA O=[N+]([O-])c1ccc(F)cc1C1CC1 1775955680 SIPDBTUYCCCFJF-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CC(C)Nc1ccc(F)cc1[N+](=O)[O-] 4267258 AOCNMSQFQYZNFH-UHFFFAOYSA-N 198.197 2.554 5 50 AFBA in-vitro CC(C)c1ccc([N+](=O)[O-])cc1 160549 JXMYUMNAEKRMIP-UHFFFAOYSA-N 165.192 2.718 5 50 AFBA O=[N+]([O-])c1cc(Cl)ccc1Cl 1693389 RZKKOBGFCAHLCZ-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA in-vitro C[C@@H]1CC(=C[N+](=O)[O-])C[C@@H](C)C1 675062627 JVGKIWQCZQHKDF-YUMQZZPRSA-N 169.224 2.603 5 50 AFBA O=[N+]([O-])c1cc(C(F)F)ccc1F 47203490 ADPIQVYGOJQOFD-UHFFFAOYSA-N 191.108 2.672 5 50 AFBA CC(F)(F)c1ccc([N+](=O)[O-])cc1 4760467 GTHBDVVJLJWNPL-UHFFFAOYSA-N 187.145 2.707 5 50 AFBA in-vitro CC(C)(C)c1ccc([N+](=O)[O-])cc1O 113736216 UAPURNYDDXMJCS-UHFFFAOYSA-N 195.218 2.598 5 50 AFBA O=[N+]([O-])c1cc(F)cc(C2CC2)c1 1775955514 AQAWLMUSUMUWSV-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA Cc1ccc(/C=C/[N+](=O)[O-])c(C)c1 2244081 XPEOGJKNVJGVCE-AATRIKPKSA-N 177.203 2.551 5 50 AFBA C[C@H]1C[N+](C)(C2CCCC2)C[C@@H]1C 1775971618 XBOLRHSZHZLCMK-QWRGUYRKSA-N 182.331 2.661 5 50 AFBA c1cnc2c(c1)ccc1cccnc12 164363 DGEZNRSVGBDHLK-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA in-vivo,metabolite O=[N+]([O-])c1cc(F)c(F)c(Cl)c1 6091237 BSKCLLCICPDISV-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(C)c1 1686932 SCEKDQTVGHRSNS-UHFFFAOYSA-N 165.192 2.520 5 50 AFBA Cc1cccc([N+](=O)[O-])c1OC(C)C 40571699 XIOGUIDOKBSFHU-UHFFFAOYSA-N 195.218 2.690 5 50 AFBA CC(C)Oc1ccc([N+](=O)[O-])cc1F 40571625 XKIPQWFNBVPXCX-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA O=[N+]([O-])c1c(F)cc(Cl)cc1F 91363917 SYCSOTAABUJOHB-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro CC[C@@H](C)c1ccc(O)c([N+](=O)[O-])c1 25629732 GCDCKEORRIGZKI-SSDOTTSWSA-N 195.218 2.814 5 50 AFBA C[n+]1c2ccccc2cc2ccccc21 4582914 GXYLXFITCXXCQV-UHFFFAOYSA-N 194.257 2.818 5 50 AFBA in-vitro C=C/C=C/C[N+]1(CC)CCCCC1 3070198 BDQAZBWEAUYFFC-FNORWQNLSA-N 180.315 2.749 5 50 AFBA CCCCOc1ccccc1[N+](=O)[O-] 1685533 VOCILNVWSWTHNE-UHFFFAOYSA-N 195.218 2.774 5 50 AFBA O=[N+]([O-])c1cc(Cl)cc(F)c1F 39953702 GCVQFKJDKCXAPJ-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA CCOc1c(C)cc([N+](=O)[O-])cc1C 39615310 SZCGXJFNMIHJAF-UHFFFAOYSA-N 195.218 2.610 5 50 AFBA O=[N+]([O-])c1ccc2ccccc2c1 2034680 ZJYJZEAJZXVAMF-UHFFFAOYSA-N 173.171 2.748 5 50 AFBA in-vitro C[C@@H]1CC(=C[N+](=O)[O-])C[C@H](C)C1 675062626 JVGKIWQCZQHKDF-OCAPTIKFSA-N 169.224 2.603 5 50 AFBA Cc1cccc([N+](=O)[O-])c1Cl 1562148 XTSGZXRUCAWXKY-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro O=[N+]([O-])c1cccc2c1[C@H]1C=C[C@H]2C1 100939978 WDACAIAYIWOBAP-YUMQZZPRSA-N 187.198 2.736 5 50 AFBA CC[N+]1(CC)CCC[C@@H](C)[C@@H]1C 1857797662 QUPNWQBGKWGRPI-MNOVXSKESA-N 170.320 2.661 5 50 AFBA O=[N+]([O-])c1c[nH]cc1-c1ccccc1 2381124 WERKCGAXQMDPFW-UHFFFAOYSA-N 188.186 2.590 5 50 AFBA CC/C(=C\c1ccc(F)cc1)[N+](=O)[O-] 4991479 ABTCZFLSEABMQQ-JXMROGBWSA-N 195.193 2.853 5 50 AFBA O=[N+]([O-])c1c(Cl)cccc1Cl 2034486 VITSNECNFNNVQB-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA in-vitro Cc1cc([N+](=O)[O-])ccc1Cl 2168543 BGDCQZFFNFXYQC-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro C[N+]1(c2ccc(F)cc2F)CCCC1 1775977227 SHULZVROYYOYIG-UHFFFAOYSA-N 198.236 2.696 5 50 AFBA O=[N+]([O-])c1ccc2c3c(cccc13)CC2 977211 CUARLQDWYSRQDF-UHFFFAOYSA-N 199.209 2.847 5 50 AFBA in-vitro c1cnc2c(c1)ccc1ncccc12 331745 OZKOMUDCMCEDTM-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(C(F)(F)F)cc1 1610339 XKYLCLMYQDFGKO-UHFFFAOYSA-N 191.108 2.614 5 50 AFBA in-vitro O=[N+]([O-])c1cc(F)c(Cl)c(F)c1 22011419 QWJLYOSFSRRDLO-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA O=[N+]([O-])c1csc2ccccc12 1672828 PIZRWAZBFNMVMW-UHFFFAOYSA-N 179.200 2.810 5 50 AFBA CCCCNc1ccc([N+](=O)[O-])cc1 5193005 KCTYPOBEIDJYGF-UHFFFAOYSA-N 194.234 2.807 5 50 AFBA in-vitro Cc1ccc(F)c([N+](=O)[O-])c1Cl 97743306 BUZBFRBRPCXJTG-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA Cc1cc(Cl)c([N+](=O)[O-])cc1C 164106 ICLKPHVGBPBMKS-UHFFFAOYSA-N 185.610 2.865 5 50 AFBA in-vitro Cc1c(Cl)ccc(F)c1[N+](=O)[O-] 96028570 BLUUVKHJBZOXFB-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro Cc1c(Cl)ccc([N+](=O)[O-])c1F 169725143 YZEOGZJLGSHSQW-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA CC(C)(C)Oc1ccc([N+](=O)[O-])cc1 2243482 WQGIOEFHXBODQW-UHFFFAOYSA-N 195.218 2.772 5 50 AFBA in-vitro CC(C)c1ccc(F)c([N+](=O)[O-])c1 147868125 IMJNGEAWYAFBJZ-UHFFFAOYSA-N 183.182 2.857 5 50 AFBA O=[N+]([O-])c1cccc(C2CC2)c1F 1775955587 IMFFSVGQGAILPL-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CCCCc1cccc([N+](=O)[O-])c1 5647532 INMYTBBXRJWIOA-UHFFFAOYSA-N 179.219 2.937 5 50 AFBA O=c1c2ccccc2[nH]c2ccccc12 8628578 FZEYVTFCMJSGMP-UHFFFAOYSA-N 195.221 2.681 5 50 AFBA aggregator,in-vitro Cc1cc(Cl)ccc1[N+](=O)[O-] 2571402 NSMZCUAVEOTJDS-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro CCCOc1cccc([N+](=O)[O-])c1F 261494367 VVOAGLPZZOFNAE-UHFFFAOYSA-N 199.181 2.523 5 50 AFBA C[C@@H]1C[N+](C)(C2CCCC2)C[C@H]1C 1775971613 XBOLRHSZHZLCMK-GHMZBOCLSA-N 182.331 2.661 5 50 AFBA C[N+](C)(C1CCCC1)C1CCCC1 117388741 QWHWPOCHBLJNPX-UHFFFAOYSA-N 182.331 2.948 5 50 AFBA Cc1[nH]c2cccc([N+](=O)[O-])c2c1C 2166113 PQVLMUJSDORONP-UHFFFAOYSA-N 190.202 2.693 5 50 AFBA C[N+](C)(C)C/C=C/C=C1C=CCC=C1 3070192 JNPPRBCRYHPQRR-BQYQJAHWSA-N 190.310 2.691 5 50 AFBA CC[N+]1(CC)C[C@H]2CCCC[C@@H]2C1 1857801025 QXLLQVBZYDDPTC-VXGBXAGGSA-N 182.331 2.663 5 50 AFBA O=[N+]([O-])c1cc(Cl)c(F)cc1F 2003983 UIOYEIHBWQTVJC-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro CC1(C)CCC(=C[N+](=O)[O-])CC1 196168561 LUEWQPOKYHRKLX-UHFFFAOYSA-N 169.224 2.747 5 50 AFBA O=[N+]([O-])c1ccc(Cl)c(Cl)c1 155631 NTBYINQTYWZXLH-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA in-vitro Nc1cccc2c1ccc1ncccc12 3163672 KQUCUUMTUKZYAI-UHFFFAOYSA-N 194.237 2.970 5 50 AFBA CC(C)COc1ccccc1[N+](=O)[O-] 82025675 VOCGCNMEKJPLQQ-UHFFFAOYSA-N 195.218 2.630 5 50 AFBA O=[N+]([O-])c1ccc(C2CC2)cc1F 113367117 PMSWCQVIQTYTEW-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CC(C)Oc1cc([N+](=O)[O-])ccc1F 97756634 SHEDOPNEHCWGSL-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA CC[N+]1(CC)CCC[C@H](C)[C@H]1C 1857797664 QUPNWQBGKWGRPI-WDEREUQCSA-N 170.320 2.661 5 50 AFBA Cc1ccc([N+](=O)[O-])cc1Cl 331675 LLYXJBROWQDVMI-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro CCCCCC[C@H](C)[N+](=O)[O-] 2173694 ZXLQHMOMJDHKJK-QMMMGPOBSA-N 159.229 2.622 5 50 AFBA CCSCc1cccc([N+](=O)[O-])c1 150203658 GCSGZXWAPMAIHI-UHFFFAOYSA-N 197.259 2.848 5 50 AFBA CC(C)Oc1ccc(F)c([N+](=O)[O-])c1 238154486 DGMXFVHIPQZUGN-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA O=[N+]([O-])c1cccc2[nH]cc(Cl)c12 38841883 IBHFPQVONMGFLC-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro CCCCCC[C@@H](C)[N+](=O)[O-] 1666934 ZXLQHMOMJDHKJK-MRVPVSSYSA-N 159.229 2.622 5 50 AFBA CC(C)(C)c1ccc([N+](=O)[O-])c(O)c1 19801504 FQVUUPPMBGPBRL-UHFFFAOYSA-N 195.218 2.598 5 50 AFBA CCCOc1ccc(F)c([N+](=O)[O-])c1 238261071 BFIJJLVTEFHCSX-UHFFFAOYSA-N 199.181 2.523 5 50 AFBA CCCOc1cc(C)cc([N+](=O)[O-])c1 261493960 MSSAEFRGYSRGIW-UHFFFAOYSA-N 195.218 2.692 5 50 AFBA CC[N+]1(CC)C[C@H](C)CC(C)(C)C1 1857797665 RJXVDJVMRFMSBD-LLVKDONJSA-N 184.347 2.909 5 50 AFBA O=[N+]([O-])c1ccc(F)c(F)c1Cl 16158174 MOKXBJZRTOPIFB-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro CCCCOc1cccc([N+](=O)[O-])c1 37624054 ZYRDOYFKUWNBSQ-UHFFFAOYSA-N 195.218 2.774 5 50 AFBA Nc1cccc2cc3ccccc3nc12 4773449 QWAGALBSTFENEE-UHFFFAOYSA-N 194.237 2.970 5 50 AFBA in-vitro CC(C)Oc1cc(F)ccc1[N+](=O)[O-] 39117696 SLRNETDLLJMLMR-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA in-vitro Cc1cc([N+](=O)[O-])c(Cl)cc1F 2504670 SJDPAVRCQNFVDM-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro C[C@H]1CC(=C[N+](=O)[O-])C[C@H](C)C1 675062624 JVGKIWQCZQHKDF-HTQZYQBOSA-N 169.224 2.603 5 50 AFBA CCc1c([N+](=O)[O-])ccc2[nH]ccc12 702804594 OUGTXYFNNYAAPE-UHFFFAOYSA-N 190.202 2.639 5 50 AFBA O=[N+]([O-])c1ccccc1C(F)(F)F 2040689 NDZJSUCUYPZXPR-UHFFFAOYSA-N 191.108 2.614 5 50 AFBA in-vitro Cc1ccc(C(F)F)cc1[N+](=O)[O-] 218127010 VXDNVOQSZZQZLO-UHFFFAOYSA-N 187.145 2.841 5 50 AFBA CC(C)c1cccc([N+](=O)[O-])c1 2575260 NRKSONABASVOGU-UHFFFAOYSA-N 165.192 2.718 5 50 AFBA C=Cc1ccc(C[N+](C)(C)C)cc1 2572046 WIKAJTNLVCYEQJ-UHFFFAOYSA-N 176.283 2.536 5 50 AFBA C[N+]1(c2ccccc2)CCCCC1 146460556 ZBZRZFLCTVWDJA-UHFFFAOYSA-N 176.283 2.808 5 50 AFBA O=[N+]([O-])c1cc(Cl)cc2cc[nH]c12 96321002 FNZMFDOFIZJRNY-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro CCCCc1ccc(N)c([N+](=O)[O-])c1 5315693 RAKSJFYIAHRHCH-UHFFFAOYSA-N 194.234 2.520 5 50 AFBA CCOc1cc(C)c([N+](=O)[O-])cc1C 82588883 YKUJJKQXKVCRDQ-UHFFFAOYSA-N 195.218 2.610 5 50 AFBA Cc1cc(C)c([N+](=O)[O-])cc1C 1712638 WILMQVBUVCETSB-UHFFFAOYSA-N 165.192 2.520 5 50 AFBA in-vitro CC(C)Oc1cccc([N+](=O)[O-])c1F 146899241 AULICCKYQNDWKQ-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA Cc1c(Cl)cccc1[N+](=O)[O-] 1681234 XCSNRORTQRKCHB-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA O=c1[nH]ccc2c1ccc1ccccc12 2577905 WMSJINODUNXFFQ-UHFFFAOYSA-N 195.221 2.681 5 50 AFBA in-vitro CC(C)Oc1cc(F)cc([N+](=O)[O-])c1 87782793 LDPTWOBWGVGYOV-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA C[n+]1cc2ccccc2c2ccccc21 984497 QSLVOIOUANVYCJ-UHFFFAOYSA-N 194.257 2.818 5 50 AFBA O=[N+]([O-])c1cccc(F)c1C1CC1 1775955562 FJXZDIFZSCGZBP-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CCCCc1ccc([N+](=O)[O-])cc1 5647513 JZRBCNLSIDKBMG-UHFFFAOYSA-N 179.219 2.937 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(F)c(C2CC2)c1 1775955507 AARHVKBXYGSMNN-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA O=c1oc2ccccc2c2ccccc12 401218 TVKNXKLYVUVOCV-UHFFFAOYSA-N 196.205 2.946 5 50 AFBA biogenic,in-vitro Cc1cc(C)c([N+](=O)[O-])cc1Cl 3138961 IDWXDUNLFIGCAL-UHFFFAOYSA-N 185.610 2.865 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(SC2CC2)cc1 114750914 UELKGKJGKADBOY-UHFFFAOYSA-N 195.243 2.849 5 50 AFBA Cc1cc([N+](=O)[O-])cc(C)c1C 1746316 BEAGEKZOSQKTBW-UHFFFAOYSA-N 165.192 2.520 5 50 AFBA CCc1ccc([N+](=O)[O-])cc1Cl 2167925 YOIYZHDXMDAXOA-UHFFFAOYSA-N 185.610 2.811 5 50 AFBA in-vitro Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 34408448 WZEMBGOGKOKTDW-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro CCC1CCC(=C[N+](=O)[O-])CC1 675062716 MKGOTHJYBDAFAE-UHFFFAOYSA-N 169.224 2.747 5 50 AFBA Cc1c(F)ccc([N+](=O)[O-])c1Cl 39435093 OEWOEJIFEWFIGG-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro CCSc1ccccc1[N+](=O)[O-] 71774023 JARZCLAZRVPFMW-UHFFFAOYSA-N 183.232 2.707 5 50 AFBA CC(C)c1ccc([N+](=O)[O-])c(C=O)c1 694985144 MNPYWJXDVXISAJ-UHFFFAOYSA-N 193.202 2.531 5 50 AFBA CCSc1ccc([N+](=O)[O-])cc1 30836045 XXZUBAOBGOBJDT-UHFFFAOYSA-N 183.232 2.707 5 50 AFBA C[N+](C)(C)[C@@H]1CCC=CCCC1 18044991 MNVJTAPXMMKFEW-LLVKDONJSA-N 168.304 2.582 5 50 AFBA O=[N+]([O-])c1cc(Cl)cc(Cl)c1 1513802 RNABGKOKSBUFHW-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA CC1=C[C@H](C)[C@@H](C[N+](C)(C)C)[C@@H](C)C1 226859248 BMJOTGJLAJOLGB-RWMBFGLXSA-N 196.358 2.931 5 50 AFBA Cc1c(Cl)cc(F)cc1[N+](=O)[O-] 2243127 ZUWXKAQJFDVCDD-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro CC[N+]1(CC2CCCC2)CCCC1 1775977131 WKSSECOIYRVJRL-UHFFFAOYSA-N 182.331 2.807 5 50 AFBA C=C/C=C\c1ccc([N+](=O)[O-])cc1 4582402 RUUPCAXJXOKICB-ARJAWSKDSA-N 175.187 2.794 5 50 AFBA C[N@+]1(Cc2cccs2)CC=CCC1 1875356505 OXDKINQRAHSKFZ-LBPRGKRZSA-N 194.323 2.655 5 50 AFBA Cc1cc(Cl)c(F)cc1[N+](=O)[O-] 91302279 ANZSIRXHCVBVBY-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro CC(C)c1cc(O)ccc1[N+](C)(C)C 400060 LHQBJZSBMYJOFB-UHFFFAOYSA-O 194.298 2.712 5 50 AFBA Cc1cc2cc([N+](=O)[O-])ccc2o1 2758506 GDQWGORSGRIJCV-UHFFFAOYSA-N 177.159 2.649 5 50 AFBA O=[N+]([O-])c1cccc(C(F)(F)F)c1 164393 WHNAMGUAXHGCHH-UHFFFAOYSA-N 191.108 2.614 5 50 AFBA in-vitro Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C 184761 LKIMRQIKTONPER-UHFFFAOYSA-N 190.202 2.693 5 50 AFBA in-vitro O=[N+]([O-])c1c[nH]c2ccc(Cl)cc12 14982430 COCDVZRHARWGKI-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro CCCCc1ccc([N+](=O)[O-])cc1N 2167930 PGTOHAQTVITUPI-UHFFFAOYSA-N 194.234 2.520 5 50 AFBA Cc1nc2ccc([N+](=O)[O-])cc2s1 61041 YAQKYKGFPQPPQE-UHFFFAOYSA-N 194.215 2.513 5 50 AFBA CCCCC(=O)c1ccc([N+](=O)[O-])o1 1583731 WRJRGRSAJDIKAU-UHFFFAOYSA-N 197.190 2.561 5 50 AFBA CCCCc1ccccc1[N+](=O)[O-] 5647536 RSVIEXUVWMYRGB-UHFFFAOYSA-N 179.219 2.937 5 50 AFBA in-vitro CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1 19943782 IHGNADPMUSNTJW-UHFFFAOYSA-N 195.218 2.598 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(F)c2ccccc12 1609840 XVDSBUCGMJBTNO-UHFFFAOYSA-N 191.161 2.887 5 50 AFBA in-vitro CC(C)(C)c1ccc([N+](=O)[O-])cc1 1675821 XSCPVQNNFLHGHY-UHFFFAOYSA-N 179.219 2.892 5 50 AFBA in-vitro CC(C)Nc1cc(F)ccc1[N+](=O)[O-] 39117641 WNHWAHLPBFAQLD-UHFFFAOYSA-N 198.197 2.554 5 50 AFBA in-vitro CC[N+]1(CC)C[C@@H](C)CC(C)(C)C1 1857797666 RJXVDJVMRFMSBD-NSHDSACASA-N 184.347 2.909 5 50 AFBA Cc1nsc2ccc([N+](=O)[O-])cc12 330018 UUOMNUMWKBVHNG-UHFFFAOYSA-N 194.215 2.513 5 50 AFBA in-vitro CCCOc1ccc([N+](=O)[O-])c(C)c1 59691523 SPAWIUFDIDDJDX-UHFFFAOYSA-N 195.218 2.692 5 50 AFBA O=[N+]([O-])c1ccc(Cl)c(F)c1F 16158179 OFQRRFRIDGZHSC-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA Cc1nc2cc([N+](=O)[O-])ccc2s1 294923 VEWGTWPJKSPGCD-UHFFFAOYSA-N 194.215 2.513 5 50 AFBA CNc1c(C)cc([N+](C)(C)C)cc1C 282353 JHVIGPVYCVRFJF-UHFFFAOYSA-N 193.314 2.542 5 50 AFBA CC(C)Oc1ccc([N+](=O)[O-])c(F)c1 34085343 REPLNSXVODYQGI-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(C2CC2)c(F)c1 1775955549 CVUKOJIDCSEIRX-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA C[C@@H]1CCC[N@+]1(C)c1ccccc1 1857798446 HENJBJIONXOYJT-YPMHNXCESA-N 176.283 2.806 5 50 AFBA Nc1ccc2nc3ccccc3cc2c1 5391072 UTXPWBKKZFLMPZ-UHFFFAOYSA-N 194.237 2.970 5 50 AFBA CCCNc1ccc(F)cc1[N+](=O)[O-] 34501505 KNYAUZOGRURNIK-UHFFFAOYSA-N 198.197 2.556 5 50 AFBA C=C/C=C/c1ccc([N+](=O)[O-])cc1 6562473 RUUPCAXJXOKICB-ONEGZZNKSA-N 175.187 2.794 5 50 AFBA CC(C)(C)Oc1ccccc1[N+](=O)[O-] 34597015 FKHYLJDIYZVNQU-UHFFFAOYSA-N 195.218 2.772 5 50 AFBA Cc1ccc(Cl)cc1[N+](=O)[O-] 1680885 SQFLFRQWPBEDHM-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA O=[N+]([O-])c1c(F)cccc1C1CC1 1775955683 TYRHVSUMGHSRJR-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CC[C@H](C)c1ccc(O)c([N+](=O)[O-])c1 25629739 GCDCKEORRIGZKI-ZETCQYMHSA-N 195.218 2.814 5 50 AFBA C[N+](C)(C)[C@H]1CCC=CCCC1 18054519 MNVJTAPXMMKFEW-NSHDSACASA-N 168.304 2.582 5 50 AFBA O=[N+]([O-])c1cc(F)ccc1C1CC1 1775955792 YRLWALRZHSGGKP-UHFFFAOYSA-N 181.166 2.611 5 50 AFBA CC(C)Cc1ccccc1[N+](=O)[O-] 39298444 BRQYNRBNRAERFJ-UHFFFAOYSA-N 179.219 2.793 5 50 AFBA in-vitro O=[N+]([O-])c1ccc(Cl)cc1Cl 1675935 QUIMTLZDMCNYGY-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA in-vitro c1ccc2c(c1)nnc1ccccc12 161374 SWJXWSAKHXBQSY-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA in-vitro CC(C)COc1cccc([N+](=O)[O-])c1 166126892 YYGGGNLVKFZUOJ-UHFFFAOYSA-N 195.218 2.630 5 50 AFBA C[N@@+]1(Cc2cccs2)CC=CCC1 1875356504 OXDKINQRAHSKFZ-GFCCVEGCSA-N 194.323 2.655 5 50 AFBA C/C(=C\c1cccc(C)c1)[N+](=O)[O-] 2244044 SBEPUGJNPLSOKB-VQHVLOKHSA-N 177.203 2.633 5 50 AFBA in-vitro Cc1cc(O)c(C(C)C)cc1[N+](=O)[O-] 19848935 OGPLVXFNLLOORV-UHFFFAOYSA-N 195.218 2.732 5 50 AFBA c1ccc([N+]23CCCC2CCC3)cc1 3080625 UKXKDLYTZPCLKS-UHFFFAOYSA-N 188.294 2.950 5 50 AFBA C/C(=C\c1ccccc1C)[N+](=O)[O-] 2568484 UGRWKHJLICNPPQ-VQHVLOKHSA-N 177.203 2.633 5 50 AFBA O=[N+]([O-])c1ccc2cccc3c2c1CC3 315117 WTRQPBAHQILXND-UHFFFAOYSA-N 199.209 2.847 5 50 AFBA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1Cl 6091274 RUWWVEDLBSUWIX-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro Cc1ccc([N+](=O)[O-])c(Cl)c1 2583415 KGSQRFPDZCBVBS-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA CC(C)(C)c1ccccc1[N+](=O)[O-] 1675820 IWTHGPTVKBEURV-UHFFFAOYSA-N 179.219 2.892 5 50 AFBA in-vitro O=[N+]([O-])c1ccccc1C(F)F 59171957 QQJFTEZEGZZSFV-UHFFFAOYSA-N 173.118 2.532 5 50 AFBA in-vitro N=c1ccc2ccc3ccccn3c-2c1 334160114 XJBARQYBLOTCGR-UHFFFAOYSA-N 194.237 2.524 5 50 AFBA O=[N+]([O-])c1ccc(F)c(C(F)F)c1 47203479 VXIMQWWMIPNFEO-UHFFFAOYSA-N 191.108 2.672 5 50 AFBA C[C@H]1CCC[N@@+]1(C)c1ccccc1 1857798445 HENJBJIONXOYJT-WCQYABFASA-N 176.283 2.806 5 50 AFBA CCCNc1cc(F)ccc1[N+](=O)[O-] 52119034 YDBGMWGWMVRJRH-UHFFFAOYSA-N 198.197 2.556 5 50 AFBA in-vitro CC(C)Oc1ccc(F)cc1[N+](=O)[O-] 67800633 GSHDLWCUKNQEKB-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA CC[N+]1(CC)C[C@@H]2CCCC[C@H]2C1 1857801023 QXLLQVBZYDDPTC-RYUDHWBXSA-N 182.331 2.663 5 50 AFBA Cc1cc(Cl)cc([N+](=O)[O-])c1 1678318 IYHHGLULQDOFGC-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro CC[N+]1(CC)C[C@H]2CCCC[C@H]2C1 1857801024 QXLLQVBZYDDPTC-TXEJJXNPSA-N 182.331 2.663 5 50 AFBA CC(C)COc1ccc([N+](=O)[O-])cc1 39381691 WCRILJGXNFOWEG-UHFFFAOYSA-N 195.218 2.630 5 50 AFBA Cc1cc([N+](=O)[O-])cc(C)c1Cl 2577344 XOTLSEJRAUKAPO-UHFFFAOYSA-N 185.610 2.865 5 50 AFBA in-vitro O=[N+]([O-])c1cccc2ccccc12 1700069 RJKGJBPXVHTNJL-UHFFFAOYSA-N 173.171 2.748 5 50 AFBA in-vitro Cc1cccc(Cl)c1[N+](=O)[O-] 2529222 JLDKNVUJLUGIBQ-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA in-vitro C[C@@H]1C[N@@+](C)(C2CCCC2)C[C@@H]1C 1775971617 XBOLRHSZHZLCMK-PTEHBNRSSA-N 182.331 2.661 5 50 AFBA Cc1cc(F)c([N+](=O)[O-])cc1Cl 38584061 DPWZCTKTAOOLAK-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA in-vitro Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 200707118 MDULZBRKALQNBS-UHFFFAOYSA-N 195.218 2.690 5 50 AFBA C/C(=C\c1cc(C)c(C)o1)[N+](=O)[O-] 5680911 CCDJBHNNIZBWTR-FNORWQNLSA-N 181.191 2.534 5 50 AFBA O=[N+]([O-])c1c(F)ccc(Cl)c1F 63772428 OHPIHTQPKGZTFB-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA O=[N+]([O-])c1cc2[nH]ccc2cc1Cl 200609740 GANDYYHXXQGUSH-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro c1ccc2c(c1)ccc1cccc[n+]12 1609546 WNRBERXEBGAUGT-UHFFFAOYSA-N 180.230 2.579 5 50 AFBA CCCCNc1ccccc1[N+](=O)[O-] 5261200 GYEZPZDTULJGHH-UHFFFAOYSA-N 194.234 2.807 5 50 AFBA Cc1cc([N+](=O)[O-])ccc1OC(C)C 38312078 UHNYLTNVNIOPNG-UHFFFAOYSA-N 195.218 2.690 5 50 AFBA Cc1ccc(Cl)c([N+](=O)[O-])c1 1690425 NWESJZZPAJGHRZ-UHFFFAOYSA-N 171.583 2.557 5 50 AFBA O=[N+]([O-])c1cccc2c(Cl)c[nH]c12 2583874 QDGYVAQMPDTWIE-UHFFFAOYSA-N 196.593 2.730 5 50 AFBA in-vitro c1cnc2ccc3ncccc3c2c1 65182 DATYUTWESAKQQM-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA biogenic,in-vitro CC(C)(C)c1cccc([N+](=O)[O-])c1 2160273 ZKRDQLBHUZNPGZ-UHFFFAOYSA-N 179.219 2.892 5 50 AFBA CC(C)Oc1c(F)cccc1[N+](=O)[O-] 67800677 FHHZJUMUEUOSQS-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA CC(C)Oc1cccc(F)c1[N+](=O)[O-] 54268913 SQFMAXPRBZQIIL-UHFFFAOYSA-N 199.181 2.521 5 50 AFBA in-vitro O=[N+]([O-])c1cc(F)c(F)cc1Cl 2541336 BONLKUDAFUJZNP-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro O=[N+]([O-])c1cc(F)c(Cl)cc1F 15442074 HBGYPLNIBDKWIK-UHFFFAOYSA-N 193.536 2.526 5 50 AFBA in-vitro CC[N+]1(CC)CCC[C@H](C)[C@@H]1C 1857797663 QUPNWQBGKWGRPI-QWRGUYRKSA-N 170.320 2.661 5 50 AFBA Cc1[nH]c2c([N+](=O)[O-])cccc2c1C 153777 ONCCVOJTXZBTDY-UHFFFAOYSA-N 190.202 2.693 5 50 AFBA in-vitro Cc1ccc([N+]2(C)CCCC2)cc1 146446968 GIBCQGWZPWOTKX-UHFFFAOYSA-N 176.283 2.726 5 50 AFBA C[C@@H]1CCC[C@H](C[N+](C)(C)C)CC1 71785361 PWPIZYBKZSQYJI-NEPJUHHUSA-N 184.347 2.909 5 50 AFBA Cc1cc([N+](=O)[O-])c(C)cc1Cl 1673273 JMEXAQBBMDHIGQ-UHFFFAOYSA-N 185.610 2.865 5 50 AFBA in-vitro CCCc1ccccc1[N+](=O)[O-] 1627240 UGAXDAGIKIVCQB-UHFFFAOYSA-N 165.192 2.547 5 50 AFBA CC(C)Cc1ccc([N+](=O)[O-])cc1 5442012 DCYMLRJKFWGXEC-UHFFFAOYSA-N 179.219 2.793 5 50 AFBA CCCOc1cc(F)ccc1[N+](=O)[O-] 74934289 WIERVAJLYZESGW-UHFFFAOYSA-N 199.181 2.523 5 50 AFBA in-vitro c1ccc2nc3ccccc3nc2c1 8683005 PCNDJXKNXGMECE-UHFFFAOYSA-N 180.210 2.783 5 50 AFBA in-vitro CCCC(=O)c1cccc([N+](=O)[O-])c1 1746599 HJLRYDBRORTQIU-UHFFFAOYSA-N 193.202 2.578 5 50 AFBA in-vitro CC(C)c1ccccc1[N+](=O)[O-] 5447559 BSMKYQUHXQAVKG-UHFFFAOYSA-N 165.192 2.718 5 50 AFBA in-vitro C[C@@H]1CCC[C@@H](C[N+](C)(C)C)CC1 71785363 PWPIZYBKZSQYJI-VXGBXAGGSA-N 184.347 2.909 5 50 AFBA CCCOc1ccc([N+](=O)[O-])cc1F 261493822 KAVHSHPORSBNJK-UHFFFAOYSA-N 199.181 2.523 5 50 AFBA CCCCOc1ccc([N+](=O)[O-])cc1 1556229 XCCDVVZINDJESR-UHFFFAOYSA-N 195.218 2.774 5 50 AFBA in-vitro O=[N+]([O-])c1cccc(Cl)c1Cl 1690400 CMVQZRLQEOAYSW-UHFFFAOYSA-N 192.001 2.902 5 50 AFBA Cc1cc(OC(C)C)cc([N+](=O)[O-])c1 238208515 RISIQNXVIIBJOH-UHFFFAOYSA-N 195.218 2.690 5 50 AFBA C[C@H]1CCC[C@H](C[N+](C)(C)C)CC1 71785362 PWPIZYBKZSQYJI-RYUDHWBXSA-N 184.347 2.909 5 50 AFBA O=c1c2ccccc2oc2ccccc12 3860823 JNELGWHKGNBSMD-UHFFFAOYSA-N 196.205 2.946 5 50 AFBA biogenic,in-vitro CCCCNc1cccc([N+](=O)[O-])c1 5309291 ZVSJFPOKRSIYSH-UHFFFAOYSA-N 194.234 2.807 5 50 AFBA Cc1c(C)c(F)c(C)c([N+](=O)[O-])c1C 1627184 ZBAOGXYSFIUFTP-UHFFFAOYSA-N 197.209 2.968 5 50 AFBA c1ccc2c[n+]3ccccc3cc2c1 1627388 ZMPAZEDVJCTAQX-UHFFFAOYSA-N 180.230 2.579 5 50 AFBA Cc1cc(Cl)cc([N+](=O)[O-])c1F 261493957 MRGXSTAAGRZCPM-UHFFFAOYSA-N 189.573 2.696 5 50 AFBA