smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc2[nH]c3c(ccc4cccnc43)c2c1 5162194 PLXSCPRKPGBEEY-UHFFFAOYSA-N 234.258 3.575 5 1 BHBF N[C@H](N=O)c1cc2ccccc2c2ccccc12 957756619 DLNFIDIKVRQOPQ-OAHLLOKOSA-N 236.274 3.717 5 1 BHBF Cc1cc2ccccc2n2c1nc1ccccc12 1637734 MWJNCARPMWGPBR-UHFFFAOYSA-N 232.286 3.949 5 1 BHBF Cc1ccccc1-c1ccc([N+](=O)[O-])c(C)c1 6071969 GDQHOLTZYGREOM-UHFFFAOYSA-N 227.263 3.879 5 1 BHBF O=Cc1c2ccccc2nc2c1[nH]c1ccccc12 39151541 HQUOYOALUOVUPO-UHFFFAOYSA-N 246.269 3.682 5 1 BHBF CN1C(=O)c2cccc3c2c1cc1ccccc13 40877052 ZBVOJPXNSAEYBH-UHFFFAOYSA-N 233.270 3.583 5 1 BHBF CC1=C[C@@H](C)[C@@H](C[N+]2(C)CCCCC2)[C@@H](C)C1 169313093 AVQDCQVAUHGUCI-OWCLPIDISA-N 236.423 3.855 5 1 BHBF Cc1c2ccccc2cc2nc3ccccc3n12 13216489 RPGDRAFLOZLDMO-UHFFFAOYSA-N 232.286 3.949 5 1 BHBF COc1ccc2[nH]c3ccc4ccncc4c3c2c1 6018873 GOYRCDAZALOJPO-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF Cc1ccnc2nc3[nH]c4ccccc4c3cc12 13222458 SQYHSUPQRQEUFM-UHFFFAOYSA-N 233.274 3.573 5 1 BHBF CSc1cccc2c3ccccc3c[n+](C)c12 1772572017 IYLVIIPATNLCGP-UHFFFAOYSA-N 240.351 3.539 5 1 BHBF Cc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c21 64475296 OGEKUJPOQMHESI-UHFFFAOYSA-N 248.285 3.923 5 1 BHBF CC(C)=Cc1ccc2cc([N+](=O)[O-])ccc2n1 39261304 XFNKYPKGVGOBQY-UHFFFAOYSA-N 228.251 3.566 5 1 BHBF C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](c3ccoc3)[N+]2([O-])C1 27518322 HISDAJRMKAJROU-UNVGTVGXSA-N 249.354 3.864 5 1 BHBF biogenic,in-vitro CC[C@@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279968 XCLWLEHGYKQPLB-MRVPVSSYSA-N 247.250 3.570 5 1 BHBF c1ccc2c3nc4ccccc4c-3[nH]cc2c1 100639139 SHGWECSGJFIDCW-UHFFFAOYSA-N 218.259 3.821 5 1 BHBF CC[C@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279969 XCLWLEHGYKQPLB-QMMMGPOBSA-N 247.250 3.570 5 1 BHBF Cn1cc2ccccc2c2c3ccccc3nc1-2 45340204 QABXUQHIXNIVOR-UHFFFAOYSA-N 232.286 3.831 5 1 BHBF N[C@@H](N=O)c1cc2ccccc2c2ccccc12 957756618 DLNFIDIKVRQOPQ-HNNXBMFYSA-N 236.274 3.717 5 1 BHBF c1ccc2c(c1)sc1nccc3ccnc2c31 1651641 OLOXICWTKUHWIW-UHFFFAOYSA-N 236.299 3.998 5 1 BHBF Cc1cc2ccccc2n2c1nc1ccc(O)cc12 1638782 VTOKYGJGDSMCLZ-UHFFFAOYSA-N 248.285 3.655 5 1 BHBF CCC/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 84708587 HGPJODOAQXCSFV-QPJJXVBHSA-N 242.278 3.956 5 1 BHBF Clc1ccc2c(c1)[nH]c1c2nc2sccn21 5606441 QVCVVOVEWGTVAE-UHFFFAOYSA-N 247.710 3.684 5 1 BHBF Cc1cc2ccc3cc(O)ccc3c2cc1O 238777295 SISQCPXIGGNBPX-UHFFFAOYSA-N 224.259 3.713 5 1 BHBF Oc1ccc2c(c1)c1[nH]ccc3cc[nH]c2c31 238742478 HICFYJNSDFUOQF-UHFFFAOYSA-N 222.247 3.508 5 1 BHBF CCCC/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1 587965342 KILXXXDCLSKMBZ-WEVVVXLNSA-N 245.282 3.675 5 1 BHBF COc1ccc2[nH]c3ccc4cnccc4c3c2c1 5141329 BMDNIGNHCFGGSO-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF COc1ccc2[nH]c3c(ccc4cccnc43)c2c1 5141330 UBEYGTBYWLANRV-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF Cc1ccc2[nH]c3nc4cccnc4cc3c2c1 3965551 KLYDOKUGPCXHKK-UHFFFAOYSA-N 233.274 3.573 5 1 BHBF Cc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 28020805 DVWBDHPDCPGQGT-UHFFFAOYSA-O 247.321 3.607 5 1 BHBF Cc1c2c3c(cccc3c3ccccc13)C(=O)N2C 40395002 OOGVRCOSBUXHTH-UHFFFAOYSA-N 247.297 3.891 5 1 BHBF CCCC/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1 587965341 KILXXXDCLSKMBZ-UITAMQMPSA-N 245.282 3.675 5 1 BHBF COc1ccc2[nH]c3ccc4cccnc4c3c2c1 6018875 JDXLFVQUXMBIQD-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF C[C@H]1CC[C@H](c2ccoc2)[N+]2([O-])C[C@H](C)CC[C@@H]12 238781030 HISDAJRMKAJROU-IDZZOLMFSA-N 249.354 3.864 5 1 BHBF O=Cc1c[nH]c2ccc3c4ccccc4[nH]c3c12 45299281 XLNJQGCKANELDU-UHFFFAOYSA-N 234.258 3.615 5 1 BHBF Cn1ccc2c(ccc3c4ccccc4nc23)c1 377408373 DIXWXVHGOCOJNX-UHFFFAOYSA-N 232.286 3.880 5 1 BHBF CC(C)[n+]1cc2ccccc2c2ccccc21 169336922 GXGUHKPZUUVFAR-UHFFFAOYSA-N 222.311 3.861 5 1 BHBF Cc1ccc2cc3[nH]c4ccccc4c3[n+](C)c2c1 28477586 UBJYPXIKTLRBCY-UHFFFAOYSA-O 247.321 3.607 5 1 BHBF CC(C)CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279707 PAGVZMCOAUGJQW-UHFFFAOYSA-N 247.250 3.570 5 1 BHBF N#Cc1cc2cnccc2c2[nH]c3ccccc3c12 39190557 DCPBIOSSTDLFHO-UHFFFAOYSA-N 243.269 3.741 5 1 BHBF COc1cccc2c3ccccc3c3nc[nH]c3c12 13219290 DIZVLGVGMAUZHV-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF O=[N+]([O-])c1ccc(COCC2CCCCC2)cc1 1857569681 GUAKBAXDEUDEDJ-UHFFFAOYSA-N 249.310 3.692 5 1 BHBF O=[N+]([O-])c1c(-c2ccccc2)[nH]c2ccccc12 35288033 YECYBZOGLBYTEK-UHFFFAOYSA-N 238.246 3.743 5 3 BHBF Oc1ccc2[nH]c3ccc4cnccc4c3c2c1 5162081 VSORUTGWAVEVBG-UHFFFAOYSA-N 234.258 3.575 5 1 BHBF c1ccc2c(c1)cnc1c3ccccc3[nH]c21 13728930 ZAEKWPWLIFDFEA-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF O=c1ccc2c(ccc3oc4ccccc4c32)o1 34417069 MWYWIRBLCWIKTR-UHFFFAOYSA-N 236.226 3.692 5 1 BHBF CCCC/C=C\c1nc2ccc([N+](=O)[O-])cc2[nH]1 587965450 MEXVZRSYIPJINT-WAYWQWQTSA-N 245.282 3.675 5 1 BHBF C[n+]1c2ccccc2cc2oc3ccccc3c21 28641750 MUQYTTBCCROMTI-UHFFFAOYSA-N 234.278 3.564 5 1 BHBF Cc1nc2c(ccc3cccnc32)c2occc12 40975447 ZMRRKICFFXQQHB-UHFFFAOYSA-N 234.258 3.838 5 1 BHBF Nc1nc2ccccc2c2cc3cnccc3cc12 1772638788 IYVQQCVYXOLJDO-UHFFFAOYSA-N 245.285 3.518 5 1 BHBF Nc1nc2cccc3ccc4cccc1c4c32 45322947 SYBAICXMQWUKGI-UHFFFAOYSA-N 218.259 3.561 5 1 BHBF Cc1c([N+](=O)[O-])oc2cc3ccccc3cc12 2021265 ULUDUWHWICDYHJ-UHFFFAOYSA-N 227.219 3.803 5 1 BHBF c1ccc2c(c1)[nH]c1ccc3cnccc3c12 5162806 GNUWWBJGRPLTIL-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF Cn1cc2nc3ccccc3c-2c2ccccc21 139630989 ZJDRBPKLWHQXNL-UHFFFAOYSA-N 232.286 3.831 5 1 BHBF Cn1cccc2c3nc4ccc(O)cc4c3ccc21 377407638 DLDFENSUQYNGIC-UHFFFAOYSA-N 248.285 3.585 5 1 BHBF N#Cc1cc2cccnc2c2[nH]c3ccccc3c12 39190556 DCTQGCUYSKHRQQ-UHFFFAOYSA-N 243.269 3.741 5 1 BHBF Cn1c2ccccc2c2nc3ccccc3cc21 28002171 OKZWKRXLTXEESE-UHFFFAOYSA-N 232.286 3.880 5 1 BHBF Cn1c2c3ccccc3nc-2c(O)c2ccccc21 101674704 GOTUAZGWJVYHRE-UHFFFAOYSA-N 248.285 3.537 5 1 BHBF COc1ccc2[nH]c3ccc4ncccc4c3c2c1 5141328 NXHPMNAWKFWZGH-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF Oc1[nH]c2ccccc2c2nc3ccccc3c1-2 100850821 HOVZRKGZDNJLAL-UHFFFAOYSA-N 234.258 3.527 5 1 BHBF Cc1oc2c(C(F)(F)F)cccc2c1[N+](=O)[O-] 169337799 IKHCRDBDWZIICB-UHFFFAOYSA-N 245.156 3.668 5 1 BHBF CC[C@H]1CC[N+]2(C)CCC3=C(CCC3)[C@@]2(C)C1 3066449 TUALWOICWDRQRR-XVMZJDAESA-N 234.407 3.896 5 1 BHBF COc1ccc2nc3[nH]c4ccccc4c3cc2c1 13475314 REDCVQGNBJLVOZ-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF Cc1cc2c3c4ccccc4nc-3ccn2nc1C 137006517 VZSHLWISAPAYPE-UHFFFAOYSA-N 247.301 3.604 5 1 BHBF CC[N+]1(CC)CCC(=Cc2ccccc2)CC1 653788918 BQYTYPCNRLLANT-UHFFFAOYSA-N 230.375 3.720 5 1 BHBF C[C@H]1CC[C@H](c2ccoc2)[N+]2([O-])C[C@H](C)CC[C@H]12 238757819 HISDAJRMKAJROU-SYOQCJKDSA-N 249.354 3.864 5 1 BHBF C[C@@H]1CC[C@H]2[C@H](C)CC[C@@H](c3ccoc3)[N+]2([O-])C1 140525515 HISDAJRMKAJROU-UJMOPTFLSA-N 249.354 3.864 5 1 BHBF Cn1cc2c3ccccc3nc-2c2ccccc21 1642327 GLYLOCYYFNTVGX-UHFFFAOYSA-N 232.286 3.831 5 1 BHBF biogenic,in-vitro O=c1oc2ccccc2c2oc3ccccc3c12 6667378 JBIZUYWOIKFETJ-UHFFFAOYSA-N 236.226 3.692 5 1 BHBF biogenic,in-vitro CCc1ccc2c3[nH]c4ccccc4c3cc[n+]2c1 5688599 BAALMEGRQMMBJQ-UHFFFAOYSA-O 247.321 3.622 5 1 BHBF Cc1cc2cc(Cl)c(=O)oc2c2ccccc12 53294407 HSXZIOKQRWMLDO-UHFFFAOYSA-N 244.677 3.908 5 1 BHBF COc1cccc2cc3cc([N+](=O)[O-])oc3cc12 1854325 VBVIYUGENXSHQJ-UHFFFAOYSA-N 243.218 3.503 5 1 BHBF Cn1cccc2c3c(ccc21)nc1ccccc13 377807471 IBDJETVRQVSRDW-UHFFFAOYSA-N 232.286 3.880 5 1 BHBF O=c1oc2c3ccccc3ccc2c2occc12 35034134 RSLRGSWJQWARER-UHFFFAOYSA-N 236.226 3.692 5 1 BHBF C=Cc1cc(C)cc2ccc3oc(=O)ccc3c12 14593927 LYEXXMXEQBXUTH-UHFFFAOYSA-N 236.270 3.898 5 1 BHBF biogenic c1ccc2cc3c(cc2c1)nc1ccccn13 1637731 SOJQAHSUDPBYSJ-UHFFFAOYSA-N 218.259 3.641 5 1 BHBF Oc1ccc2[nH]c3ccc4ccncc4c3c2c1 6093912 KTTXVLJSNQJARB-UHFFFAOYSA-N 234.258 3.575 5 1 BHBF CC[C@@H]1CC[N+]2(C)CCC3=C(CCC3)[C@@]2(C)C1 13477681 TUALWOICWDRQRR-ZIAVVELASA-N 234.407 3.896 5 1 BHBF c1ccc2[nH]c3c4ccccc4nc-3cc2c1 14517280 CACULOZOWQKVIW-UHFFFAOYSA-N 218.259 3.821 5 1 BHBF biogenic Cn1ccc2ccc3nc4ccc(O)cc4c3c2c1 377805966 CTMNEIGUDKOHMP-UHFFFAOYSA-N 248.285 3.585 5 1 BHBF COc1cc2cc([N+](=O)[O-])oc2c2ccccc12 1854326 YGYSUDXFOCIHEN-UHFFFAOYSA-N 243.218 3.503 5 1 BHBF COc1c2ccccc2nc2c1[nH]c1ccccc12 38999092 FLZBCBQISATKGV-UHFFFAOYSA-N 248.285 3.878 5 1 BHBF CCCCc1nnc2c(ccc3ccccc32)n1 169318594 SWCGWWVKMOWOIJ-UHFFFAOYSA-N 237.306 3.521 5 1 BHBF Cc1cc2c3ccccc3[nH]c2c2c[n+](C)ccc12 29464350 DJMIWAXPICGSRW-UHFFFAOYSA-O 247.321 3.607 5 1 BHBF CC(=O)Nc1ccc2c(ccc3ccccc32)c1 1726349 NOEOUKDLTDMGKA-UHFFFAOYSA-N 235.286 3.951 5 1 BHBF Cc1c2ccccc2n2c1nc(O)c1ccccc12 13522087 LDEFTBNLFNFNQM-UHFFFAOYSA-N 248.285 3.655 5 1 BHBF Cc1ccc2c(c1)cc1[nH]c3ccccc3c1[n+]2C 28475971 MAZQHLIHLSLTCC-UHFFFAOYSA-O 247.321 3.607 5 1 BHBF c1cnc2c(c1)ccc1[nH]c3ccccc3c12 6117811 MZXDPTWGJXNUMW-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF biogenic c1ccc2c(c1)[nH]c1ccc3ncccc3c12 5162805 FXPMRLGGLPLJLH-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF CC(C)(C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279930 VBOGULIYAAJFHM-UHFFFAOYSA-N 247.250 3.570 5 1 BHBF O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c12 44712566 VWNCOFUKBTYAON-UHFFFAOYSA-N 234.258 3.615 5 1 BHBF in-vitro CCCC/C=C/c1nc2ccc([N+](=O)[O-])cc2[nH]1 587965449 MEXVZRSYIPJINT-AATRIKPKSA-N 245.282 3.675 5 1 BHBF Cc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1 1847266 QVWFKIREHDXTNT-UHFFFAOYSA-N 227.219 3.803 5 1 BHBF c1ccc2c(c1)[nH]c1cccc3ccnc2c31 29341599 VWYDYUAGAGIHAK-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF CSc1ccc2c(c1)c1ccccc1c[n+]2C 1772586738 PCFXXQCHIAPHCX-UHFFFAOYSA-N 240.351 3.539 5 1 BHBF Cc1c([N+](=O)[O-])oc2c3c(ccc12)CCCC3 2021288 MHAYWGATYIISHH-UHFFFAOYSA-N 231.251 3.528 5 1 BHBF c1ccc2c(c1)[nH]c1ccc3ccncc3c12 6117810 WNKWCVDUFJGGSD-UHFFFAOYSA-N 218.259 3.869 5 1 BHBF N#Cc1cc2ccncc2c2[nH]c3ccccc3c12 39190584 LKROTCXRJRCMTD-UHFFFAOYSA-N 243.269 3.741 5 1 BHBF c1ccc2c(c1)oc1ccc3nsnc3c12 5824116 HVAOYRJPFNGSDQ-UHFFFAOYSA-N 226.260 3.591 5 1 BHBF Cc1cc(=O)oc2cc3[nH]c4ccccc4c3cc12 34184173 XLQYXBKYOQBHMC-UHFFFAOYSA-N 249.269 3.736 5 1 BHBF O=Cc1c(O)c2ccccc2c2ccccc12 13283009 AAUANTNCTLBCQX-UHFFFAOYSA-N 222.243 3.511 5 1 BHBF CN(C)/C=C/c1cccc2nc3ccccc3cc12 28384934 MLYMOGHZCLHDJA-ZHACJKMWSA-N 248.329 3.920 5 1 BHBF CCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280049 ZHJYLSSXDFFGEI-UHFFFAOYSA-N 247.250 3.714 5 1 BHBF C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](c3ccoc3)[N@+]2([O-])C1 253869736 HISDAJRMKAJROU-URLPEUOOSA-N 249.354 3.864 5 1 BHBF Cc1coc2c1c(=O)[nH]c1c3ccccc3ccc12 45355952 ICYHLEZATYLZKI-UHFFFAOYSA-N 249.269 3.736 5 1 BHBF Cc1cccc(-c2c[nH]cc2Cl)c1[N+](=O)[O-] 2356875185 JFEVJVSTRXMXTA-UHFFFAOYSA-N 236.658 3.552 5 1 BHBF N#Cc1cc2ncccc2c2[nH]c3ccccc3c12 39190582 VOQLQOPHHSWZBQ-UHFFFAOYSA-N 243.269 3.741 5 1 BHBF COc1ccc2c(c1)c1[nH]ccc3cc[nH]c2c31 2356707241 MVYPPBOCHZQNNS-UHFFFAOYSA-N 236.274 3.811 5 1 BHBF CCC[n+]1cc2ccccc2c2ccccc21 5844258 QFMRFNJXUTUROA-UHFFFAOYSA-N 222.311 3.691 5 1 BHBF Oc1c2cnc3ccccc3nc-2c2ccccc12 2476654 ZUDUXGPQBVSHIH-UHFFFAOYSA-N 246.269 3.593 5 1 BHBF Cc1c2ccccc2nc2[nH]c3ccncc3c12 5930509 JBYMKEBMCKBUKP-UHFFFAOYSA-N 233.274 3.573 5 1 BHBF c1ccc2c(c1)ccc1nc3ccccn3c12 1637733 PWRVWEBBXGUGFI-UHFFFAOYSA-N 218.259 3.641 5 1 BHBF Cn1cccc2c3nc4ccccc4c3ccc21 377806011 VIUDYUQWBMJPGO-UHFFFAOYSA-N 232.286 3.880 5 1 BHBF O=[N+]([O-])c1c(O)c2ccccc2c2ccccc12 1857606879 WVLYCLICLGRFIT-UHFFFAOYSA-N 239.230 3.607 5 1 BHBF O=Nc1c2ccc[nH]c-2c2ccc([N+](=O)[O-])cc12 6222203 NCJBDNGDWUQVIZ-UHFFFAOYSA-N 241.206 3.579 5 3 BHBF Cc1c([N+](=O)[O-])oc2c1ccc1ccccc12 2021264 XABYCPUVGYGYRA-UHFFFAOYSA-N 227.219 3.803 5 1 BHBF C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2 13740332 BJUQLFXRXSMDCM-UHFFFAOYSA-N 240.326 3.644 5 1 BHBF CC[n+]1c2ccccc2cc2[nH]c3ccccc3c21 6424856 VPIZPWMUGQPNDN-UHFFFAOYSA-O 247.321 3.782 5 1 BHBF Oc1ccc2[nH]c3ccc4cccnc4c3c2c1 5162189 UURFMIFLZIPLLF-UHFFFAOYSA-N 234.258 3.575 5 1 BHBF c1cnc2c(c1)cc(-n1cccc1)c1cccnc12 82157317 BQXAKHXMRPZQQC-UHFFFAOYSA-N 245.285 3.574 5 1 BHBF CCc1cccc2c(=O)c3ccccc3sc12 13779772 ZOYQHXXGRVSETB-UHFFFAOYSA-N 240.327 3.977 5 1 BHBF Cc1nc2c(ccc3cccnc32)c2[nH]ccc12 40974892 SGNHITZALPVCOY-UHFFFAOYSA-N 233.274 3.573 5 1 BHBF CC/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 84708575 CDAOEIKLFNURBI-ZZXKWVIFSA-N 228.251 3.566 5 1 BHBF Cc1c([N+](=O)[O-])oc2ccc3c(c12)CCCC3 2021291 RKCBTNNHWOLVNR-UHFFFAOYSA-N 231.251 3.528 5 1 BHBF Cc1ccnc2cc3cc([N+](=O)[O-])sc3cc12 1857747949 DJNHDYLYXDEBMF-UHFFFAOYSA-N 244.275 3.666 5 1 BHBF Cn1cc2ccccc2c2nc3ccccc3c1-2 101927968 BJACXCOEPSGGGE-UHFFFAOYSA-N 232.286 3.831 5 1 BHBF CC(C)=Cc1ccc2cccc([N+](=O)[O-])c2n1 39261319 LDJZIZJDQGERPX-UHFFFAOYSA-N 228.251 3.566 5 1 BHBF Cc1cccc(Oc2ccccc2[N+](=O)[O-])c1 38844164 WOAVWBGOVFKQMD-UHFFFAOYSA-N 229.235 3.696 5 1 BHBF CC(C)c1cccc2c3ccccc3c[n+](C)c12 1772571948 KREMXONTDKWWNW-UHFFFAOYSA-N 236.338 3.941 5 1 BHBF Nc1c2ccccc2nc2oc3ccccc3c12 45291176 PRDJOSKNTSBKAH-UHFFFAOYSA-N 234.258 3.716 5 1 BHBF Cn1ccc2c(ccc3nc4ccc(O)cc4c32)c1 377380491 IIQNPVDPUDRRPA-UHFFFAOYSA-N 248.285 3.585 5 1 BHBF CC(C)c1cc([N+](C)(C)C)cc(C(C)C)c1O 29544462 KIAUUISRODLZII-UHFFFAOYSA-O 236.379 3.836 5 1 BHBF C1=CC2=CC=C3C=CC=C4C=CC(=C1)[C@@H]2[C@H]43 504237814 RYEGJAKJRGZBAW-IYBDPMFKSA-N 204.272 3.647 5 1 BHBF biogenic O=C(O)Cc1cccc2cc3ccccc3cc12 27555003 LQYNVIHTHGRHBD-UHFFFAOYSA-N 236.270 3.620 5 1 BHBF COc1cc2oc([N+](=O)[O-])cc2c2ccccc12 1854328 XRGBBOFMOXFUOV-UHFFFAOYSA-N 243.218 3.503 5 1 BHBF O=c1c2ccccc2oc2c1oc1ccccc12 26897514 CNOBSSUHQGIKEQ-UHFFFAOYSA-N 236.226 3.692 5 3 BHBF