smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccccc1Cl 4989978 GVRMMEGDQYATKS-UHFFFAOYSA-N 316.666 5.011 5 50 DKBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(Cl)c1 1689065 NTCZHYYWEOLZQW-UHFFFAOYSA-N 317.650 5.059 5 50 DKBA Fc1ccccc1-c1nc2ccc3ccccc3c2c2c1CCC2 2963204 VOHNEMNFZVFITA-UHFFFAOYSA-N 313.375 5.683 5 50 DKBA Cc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 203313 YVRYLXFBRABXQI-UHFFFAOYSA-N 323.399 5.094 5 50 DKBA CC1=CC(C)(C)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 55083 KEGMYTPQUGDYED-UHFFFAOYSA-N 322.408 5.105 5 50 DKBA CC(=O)Oc1cc2c(C)c3ccccc3cc2c2ccccc12 1557141 OTVQILAVNDJSHG-UHFFFAOYSA-N 300.357 5.380 5 50 DKBA Cc1cc2c(cc1[N+](=O)[O-])-c1c(ssc1=S)C(C)(C)N2 3894004 VHZFRSOVRWWSDB-UHFFFAOYSA-N 324.452 5.083 5 50 DKBA CC1(C)c2cccc([N+](C)(C)C)c2C(C)(C)C(C)(C)C1(C)C 4798113 AXITVAGWVSVJBM-UHFFFAOYSA-N 302.526 5.505 5 50 DKBA c1ccc2c(c1)cc1c3ccccc3c3cccc4ccc2c1c43 2168416 KGHMWBNEMFNJFZ-UHFFFAOYSA-N 302.376 6.890 5 50 DKBA biogenic,in-vitro CC(=O)O[C@@H](c1cc2ccccc2c2ccccc12)C(F)(F)F 5495592 PSZZQTPOOJPSPS-KRWDZBQOSA-N 318.294 5.160 5 50 DKBA Cc1cc(SCc2ccc([N+](=O)[O-])cc2)nc2c(C)cccc12 2871974 INCHKGOBCDKVKH-UHFFFAOYSA-N 324.405 5.052 5 50 DKBA Cc1cc2cc3cc4cc5sc(C)cc5cc4cc3cc2s1 142925309 HPJACFAPBXKLQA-UHFFFAOYSA-N 318.466 7.039 5 50 DKBA in-vitro CC[C@H](C[C@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 150274432 BSMYVBKDBCUVBF-AZUAARDMSA-N 310.505 5.580 5 50 DKBA in-vitro CCOc1ccc(Nc2nc3ccccc3c3ccccc23)cc1 274097 XDSWVHOLXRDKMS-UHFFFAOYSA-N 314.388 5.530 5 50 DKBA O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 2852335 IBJGEORGOPZANI-UHFFFAOYSA-N 322.345 5.132 5 50 DKBA O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1 170250 XQNAUQUKWRBODG-UHFFFAOYSA-N 318.543 5.347 5 50 DKBA in-vitro O=c1oc2cc3occ(-c4ccccc4)c3cc2c2ccccc12 95363 UMXAXPNBOLWNDT-UHFFFAOYSA-N 312.324 5.359 5 50 DKBA biogenic Brc1ccc2ccc3ccc4ccccc4c3c2c1 2023388 QGFYLLMPQWHQLS-UHFFFAOYSA-N 307.190 5.909 5 50 DKBA c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34 1580749 JNTHRSHGARDABO-UHFFFAOYSA-N 302.376 6.890 5 50 DKBA biogenic,in-man c1coc(-c2nc3cc4ccccc4cc3nc2-c2ccco2)c1 206590 MTWHFYCTTLPMIS-UHFFFAOYSA-N 312.328 5.303 5 50 DKBA Brc1ccc2c3ccccc3c3ccccc3c2c1 66340201 GEDOYYDMCZUHNW-UHFFFAOYSA-N 307.190 5.909 5 50 DKBA c1ccc(CNc2ccc3c(ccc4c5ccccc5[nH]c34)n2)cc1 6811161 DTSRHAMGTCQDPG-UHFFFAOYSA-N 323.399 5.481 5 50 DKBA Oc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1 1232567 SCJWUPXKUIGMMD-UHFFFAOYSA-N 311.384 5.249 5 50 DKBA c1cncc(-c2nc3ccc4ccccc4c3c3c2CCCC3)c1 5006292 NYJSMVAQXFDPMU-UHFFFAOYSA-N 310.400 5.329 5 50 DKBA O=[N+]([O-])c1cc(F)ccc1Oc1ccc(Cl)c2ccccc12 1401277 PRZHBSKGEYMBIY-UHFFFAOYSA-N 317.703 5.333 5 50 DKBA Cc1cc(-c2ccccc2[N+](=O)[O-])nc2ccc3ccccc3c12 446202 AHUGCKSBCLEXOP-UHFFFAOYSA-N 314.344 5.272 5 50 DKBA CC(C)CCc1c2ccccc2c(-c2ccccc2)c2ccccc12 3123094 FXYFTWNFSNUDOO-UHFFFAOYSA-N 324.467 7.249 5 50 DKBA COc1ccc(/C=C/c2nc3ccccc3c3ccccc23)cc1 4007491 WBZMUJOLCYMKNZ-NTCAYCPXSA-N 311.384 5.567 5 50 DKBA CCCCCCOc1ccc([N+](=O)[O-])cc1OCCCCCC 4831648 VICCBFJYGOMECC-UHFFFAOYSA-N 323.433 5.513 5 50 DKBA c1ccc2cc3c(cc2c1)cc1ccc2cccc4ccc3c1c24 2556844 AXSJLZJXXUBRBS-UHFFFAOYSA-N 302.376 6.890 5 50 DKBA in-vitro O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1 133794 OIZNELPPMYNXST-UHFFFAOYSA-N 317.650 5.059 5 50 DKBA Cc1cc(-c2ccc3ccccc3c2)nc2c1ccc1ccccc12 2154909 LDBYBWFHJBBIOD-UHFFFAOYSA-N 319.407 6.517 5 50 DKBA Clc1c2ccc3ccccc3c2nc2c1ccc1ccccc12 1772502172 KXAUQHJDRHPCPU-UHFFFAOYSA-N 313.787 6.348 5 50 DKBA O=[N+]([O-])c1ccc(-c2nc(C3CCC(F)(F)CC3)cs2)cc1 225451828 WHSDTEPDVXMHMB-UHFFFAOYSA-N 324.352 5.011 5 50 DKBA CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1 2036061 YIMFXBPXUPTIEJ-OUKQBFOZSA-N 324.488 5.112 5 50 DKBA in-man CN1c2ccccc2N(C)c2c1c1ccccc1c1ccccc21 3131024 CPTLVAUSBLXAIQ-UHFFFAOYSA-N 310.400 5.842 5 50 DKBA O=[N+]([O-])c1ccc(COc2ccccc2C2CCCCC2)cc1 471914 MWBJHWKBNSJYLU-UHFFFAOYSA-N 311.381 5.222 5 50 DKBA O[C@H](c1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F 5716748 PZDGMZZJJGZQMI-QGZVFWFLSA-N 300.279 5.180 5 50 DKBA CC(=O)Oc1c2ccccc2c2ccc3cccc4ccc1c2c43 1661493 PSUANBYSDSSXCT-UHFFFAOYSA-N 310.352 5.663 5 50 DKBA C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4158511 USIQBZCKWWHMJB-AWEZNQCLSA-N 316.356 5.086 5 50 DKBA Cc1cc2c(ccc3ccc4ccccc4c32)cc1Br 2023262 KOAQDUVUTWZQLZ-UHFFFAOYSA-N 321.217 6.217 5 50 DKBA Cc1c2ccccc2cc2ccc3c(Br)cccc3c12 3122111 ACMPHBFQHLWDEK-UHFFFAOYSA-N 321.217 6.217 5 50 DKBA Clc1cccc2c(Cl)c3c(Cl)cccc3c(Cl)c12 3123088 YOGNSITWAIHLJK-UHFFFAOYSA-N 316.014 6.607 5 50 DKBA O[C@@H](c1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F 6528426 PZDGMZZJJGZQMI-KRWDZBQOSA-N 300.279 5.180 5 50 DKBA c1ccc(-c2cn3c(n2)sc2c4ccccc4ccc23)cc1 407409 ZRSGCDXPJMEHPW-UHFFFAOYSA-N 300.386 5.369 5 50 DKBA O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1 975012 ZQAGHJWZWIVKGE-UHFFFAOYSA-N 321.379 5.836 5 50 DKBA COc1c2ccc3ccccc3c2cc2ccc3ccccc3c12 5732326 SMRBKGWEKMAGHV-UHFFFAOYSA-N 308.380 6.308 5 50 DKBA O=[N+]([O-])c1ccccc1C=C(c1ccccc1)c1ccccc1 4753653 CYXPHYXHMRNEBZ-UHFFFAOYSA-N 301.345 5.184 5 50 DKBA Cc1ccc(SCc2c3ccccc3cc3ccccc23)cc1 2141612 DBQPVDIRYGUUTM-UHFFFAOYSA-N 314.453 6.594 5 50 DKBA CCCCCCSCc1c2ccccc2cc2ccccc12 2141611 HWLBSIJIEUYHGZ-UHFFFAOYSA-N 308.490 6.807 5 50 DKBA Brc1c2ccccc2cc2c1ccc1ccccc12 1661488 LGRNWCDRODWMOH-UHFFFAOYSA-N 307.190 5.909 5 50 DKBA in-vitro c1ccc2c(c1)ccc1nc(-c3ccncc3)c3c(c12)CCCCC3 1209433 APVZOUAROROABR-UHFFFAOYSA-N 324.427 5.719 5 50 DKBA Clc1cccc2cc3ccccc3c(Cc3ccccc3)c12 3106381 JRBAQNSYCHMRJU-UHFFFAOYSA-N 302.804 6.237 5 50 DKBA Cc1ccc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 471294 CKFNDNTUPYKEEA-UHFFFAOYSA-N 319.360 5.149 5 50 DKBA Cc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12 2981378 CQGPXCGZQFGTLT-UHFFFAOYSA-N 320.415 5.707 5 50 DKBA CCCCOc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1 1690206 WWVCYITZVMBKKZ-UHFFFAOYSA-N 321.207 5.269 5 50 DKBA O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 5013126 OUXNVULZYUSNIF-UHFFFAOYSA-N 322.151 5.127 5 50 DKBA c1ccc2c(CNc3ccc4[nH]ncc4c3)c3ccccc3cc2c1 280179 HYPVRIRNDOZGET-UHFFFAOYSA-N 323.399 5.481 5 50 DKBA Cc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 471737 RRNWIEXMJLKCPG-UHFFFAOYSA-N 319.360 5.149 5 50 DKBA CC/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)[N+](=O)[O-] 4958049 AIAIVKQGPIUROK-CSKARUKUSA-N 312.152 5.281 5 50 DKBA Cc1c(C)c(C)c2c(C)c3c(C)c(C)c(C)c(C)c3c(C)c2c1C 3122128 PJPWHAXWJUGWMD-UHFFFAOYSA-N 318.504 7.077 5 50 DKBA C[C@@H]1CCc2c(-c3cccnc3)nc3ccc4ccccc4c3c2C1 1113938 MUXDIZOLGQEANT-OAHLLOKOSA-N 324.427 5.575 5 50 DKBA Cc1cc2cc3cc4cc5cc(C)sc5cc4cc3cc2s1 169389686 JSJKBPBSELKJQI-UHFFFAOYSA-N 318.466 7.039 5 50 DKBA in-vitro Clc1cccc(CCc2nc3ccccc3c3ccccc23)c1 2172907 SBQSXSRIEGIFAR-UHFFFAOYSA-N 317.819 5.827 5 50 DKBA c1ccc(SCc2c3ccccc3cc3ccccc23)cc1 2141609 APUXJFWXFCFTFH-UHFFFAOYSA-N 300.426 6.285 5 50 DKBA Cc1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc3ccccc3c12 2469411 CBYWHZASTPETRR-UHFFFAOYSA-N 314.344 5.272 5 50 DKBA aggregator CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)[C@@H]1C 2037707 ZYEPZINLLPPBMI-SFHVURJKSA-N 306.473 5.137 5 50 DKBA in-man c1ccc2c(CNc3ccc4cn[nH]c4c3)c3ccccc3cc2c1 279500 AJYKXJBEKVNZRF-UHFFFAOYSA-N 323.399 5.481 5 50 DKBA O=[N+]([O-])c1cc(Cl)cc2c1-c1c(Cl)cc(Cl)cc1C2 4796090 HRIWEKZSCSQFNG-UHFFFAOYSA-N 314.555 5.126 5 50 DKBA c1ccc2c(c1)cc1ccc3c4ccccc4cc4ccc2c1c43 2168369 RXUSYFJGDZFVND-UHFFFAOYSA-N 302.376 6.890 5 50 DKBA in-vitro CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C 3861474 CIGHCERGVVXOOH-UHFFFAOYSA-N 312.462 5.211 5 50 DKBA in-vitro CC[C@@H](C[C@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 150274219 BSMYVBKDBCUVBF-ICSRJNTNSA-N 310.505 5.580 5 50 DKBA in-vitro Cc1coc2c3ccc4c(c3c3[nH]cnc3c12)CCCC4(C)C 1848443270 BWCMWROWIFAFBJ-UHFFFAOYSA-N 304.393 5.385 5 50 DKBA Cc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1 1232562 QHBYJOSPRFNFCI-UHFFFAOYSA-N 309.412 5.852 5 50 DKBA c1ccc2c(c1)ccc1nc(-c3ccncc3)c3c(c12)CCCC3 970726 TWPKELQANXDRKB-UHFFFAOYSA-N 310.400 5.329 5 50 DKBA c1cc2ccc1ccc1ccc(cc1)ccc1ccc(cc1)cc2 71782860 WZNVKQUTXXVJJQ-UHFFFAOYSA-N 306.408 6.833 5 50 DKBA C[C@H]1CCc2c(-c3cccnc3)nc3ccc4ccccc4c3c2C1 1113936 MUXDIZOLGQEANT-HNNXBMFYSA-N 324.427 5.575 5 50 DKBA c1ccc2c(c1)[nH]c1c3ccccc3c3c4ccccc4sc3c21 224757316 ZQFMPAUMWZANKZ-UHFFFAOYSA-N 323.420 6.842 5 50 DKBA Cc1cc([N+](=O)[O-])ccc1NC1CCC(c2ccccc2)CC1 4309373 DDRPZLCTHFHYIA-UHFFFAOYSA-N 310.397 5.042 5 50 DKBA O=[N+]([O-])c1ccc2c(c1)Oc1c(Cl)cc(Cl)cc1C=C2 1421020 VQUHMHSEBQMFCI-UHFFFAOYSA-N 308.120 5.178 5 50 DKBA CC(C)(C)c1cc2ccc3cc(C(C)(C)C)cc4ccc(c1)c2c34 49625273 SKZSSCAGJZEXEA-UHFFFAOYSA-N 314.472 7.179 5 50 DKBA in-vitro C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4158512 USIQBZCKWWHMJB-CQSZACIVSA-N 316.356 5.086 5 50 DKBA Cc1c(OC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12 3080645 XLNWRKTUAZDOFR-UHFFFAOYSA-N 321.376 5.371 5 50 DKBA CCC(C)(C)C(=O)OCc1c2ccccc2cc2ccccc12 43199386 YTFIEFZFSGSAOB-UHFFFAOYSA-N 306.405 5.472 5 50 DKBA Cc1c2ccccc2cc2c1cc(Br)c1ccccc12 2143274 MYGCBDBXUBMXLQ-UHFFFAOYSA-N 321.217 6.217 5 50 DKBA Cc1[nH]c2ccccc2c1-c1c2ccccc2nc2ccccc12 5276903 AYOPSHMBUPDBPU-UHFFFAOYSA-N 308.384 5.845 5 50 DKBA O=[N+]([O-])c1ccc(N(c2ccccc2)c2cccc(Cl)c2)cc1 3878659 PQKZAIDZGSOFCO-UHFFFAOYSA-N 324.767 5.718 5 50 DKBA CC/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[N+](=O)[O-] 467348 IMRATJCROPBJSG-HJWRWDBZSA-N 312.152 5.281 5 50 DKBA Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 1154495 UWVQOVPKNIPJCA-UHFFFAOYSA-N 308.384 5.845 5 50 DKBA Fc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1 2300312 NYIKZYKCJKBXBP-UHFFFAOYSA-N 313.375 5.683 5 50 DKBA O=[N+]([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1 5059857 FHWCMTXYJCPOQX-UHFFFAOYSA-N 316.316 5.070 5 50 DKBA Cn1c(-c2cccs2)nc2c3ccccc3c3ccccc3c21 450223 WQHLKSNGFKDNFU-UHFFFAOYSA-N 314.413 5.608 5 50 DKBA O=[N+]([O-])c1c2ccc3ccccc3c2cc2ccc3ccccc3c12 2558828 ZZMDJBHMGFRFEK-UHFFFAOYSA-N 323.351 6.208 5 50 DKBA c1ccc2c(-c3c4ccccc4cc4ccccc34)cccc2c1 95931075 YPNZWHZIYLWEDR-UHFFFAOYSA-N 304.392 6.813 5 50 DKBA c1cc2c3c(cccc3c1)-c1nc3c(ccc4ccccc43)nc1-2 1639582 NQDUFWQZTFVEKQ-UHFFFAOYSA-N 304.352 5.584 5 50 DKBA CCOc1cc2c(C)c3ccccc3c(C)c2c2ccccc12 1722285 UMBMXDZXEWVBME-UHFFFAOYSA-N 300.401 6.162 5 50 DKBA CCCCOc1c2ccccc2c(OCCCC)c2ccccc12 77051484 KSMGAOMUPSQGTB-UHFFFAOYSA-N 322.448 6.351 5 50 DKBA c1cncc(-c2nc3ccc4ccccc4c3c3c2CCCCC3)c1 1209369 XJSIITCUCKCSCS-UHFFFAOYSA-N 324.427 5.719 5 50 DKBA c1ccc2c(c1)-c1cc3ccccc3c3cc4ccccc4c-2c13 2558795 JHOWUOKQHJHGMU-UHFFFAOYSA-N 302.376 6.794 5 50 DKBA in-vitro Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccc3ccccc3c12 352598 ZZIAADKTDVDIHT-UHFFFAOYSA-N 314.344 5.272 5 50 DKBA c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61 1580987 VPUGDVKSAQVFFS-UHFFFAOYSA-N 300.360 6.919 5 50 DKBA biogenic,in-vitro c1ccc2c(c1)[nH]c1c3sc4ccccc4c3c3ccccc3c21 225180974 RSQSESGFUZXJNM-UHFFFAOYSA-N 323.420 6.842 5 50 DKBA Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 309854 NRHJNGIINQWTFE-UHFFFAOYSA-N 311.259 5.023 5 50 DKBA CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)[C@H]1C 1481906 ZYEPZINLLPPBMI-GOSISDBHSA-N 306.473 5.137 5 50 DKBA in-man COc1ccc2c(OC(C)=O)c3ccc4ccccc4c3cc2c1 43199373 CFOTZAPJOCCWGB-UHFFFAOYSA-N 316.356 5.080 5 50 DKBA O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 610913 AKQJUFWAKHZMIY-UHFFFAOYSA-N 318.543 5.347 5 50 DKBA CC[C@@H](C[C@@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 150273809 BSMYVBKDBCUVBF-QUCCMNQESA-N 310.505 5.580 5 50 DKBA in-vitro Oc1ccccc1-c1nc2ccc3ccccc3c2c2c1CCC2 970467 GNYHUNIBPFXDEQ-UHFFFAOYSA-N 311.384 5.249 5 50 DKBA Cc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1 33799059 LULZXNOVLBISGB-UHFFFAOYSA-N 312.436 5.410 5 50 DKBA in-vitro COC(=O)/C=C(/C)c1ccc2ccc3cccc4ccc1c2c34 4776248 SBWHQXBYKPPACH-SEYXRHQNSA-N 300.357 5.160 5 50 DKBA Cc1ccsc1-c1cc(C(=O)O)c2c(ccc3ccccc32)n1 448289 LLROHWVUIUDROT-UHFFFAOYSA-N 319.385 5.123 5 50 DKBA O=[N+]([O-])c1ccccc1N1c2ccccc2Sc2ccccc21 4772985 PWDUKZKGUJPUHA-UHFFFAOYSA-N 320.373 5.529 5 50 DKBA Brc1cccc2c1ccc1cc3ccccc3cc12 81946234 ILVKEMDEUCXCAB-UHFFFAOYSA-N 307.190 5.909 5 50 DKBA in-vitro c1ccc(-c2csc3nc4c5ccccc5ccc4n23)cc1 408179 OZYWNESBCKVTLH-UHFFFAOYSA-N 300.386 5.369 5 50 DKBA Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 1018032 XVUVVFWKJOVPBV-UHFFFAOYSA-N 311.384 5.249 5 50 DKBA COc1ccc(Nc2cc(C)nc3c2ccc2ccccc23)cc1 136885 NWQRKFXTZYRQRV-UHFFFAOYSA-N 314.388 5.449 5 50 DKBA Cc1[nH]c2c(C34CC5CC(CC(C5)C3)C4)cc([N+](=O)[O-])cc2c1C 4065093 CLLLVULNOMQCRB-UHFFFAOYSA-N 324.424 5.161 5 50 DKBA CC[C@H](C[C@@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 150274025 BSMYVBKDBCUVBF-UYAOXDASSA-N 310.505 5.580 5 50 DKBA in-vitro O=[N+]([O-])c1ccc(/C=C\c2ccccc2)c(-c2ccccc2)c1 5037761 QIJQBCXFHPMLNW-QXMHVHEDSA-N 301.345 5.432 5 50 DKBA CC(=O)O[C@H](c1cc2ccccc2c2ccccc12)C(F)(F)F 5495610 PSZZQTPOOJPSPS-QGZVFWFLSA-N 318.294 5.160 5 50 DKBA CCCCc1c2ccccc2c(-c2ccccc2)c2ccccc12 3132851 ZLLIIGLGQVNTGA-UHFFFAOYSA-N 310.440 7.003 5 50 DKBA Cc1cc2c(ccc3ccccc32)nc1-c1cccc([N+](=O)[O-])c1 275226 DVPFRRHSPZMKRO-UHFFFAOYSA-N 314.344 5.272 5 50 DKBA CC1=CC(C)(C)N(Cc2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21 1234507 YGAMTWUUJQSOKY-UHFFFAOYSA-N 322.408 5.105 5 50 DKBA