smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCC[Si](C(C)C)C(C)C 196292153 WWMMCABWPRGHAH-UHFFFAOYSA-N 227.488 5.662 30 40 BKEB CCCCCCCCCCC(F)(F)F 79679702 BLBMAMWJQCCOPZ-UHFFFAOYSA-N 210.283 5.080 30 40 BKEB CCCCCCC/C=C\CCCCCCCC 100166250 BIQKRILZMDQPHI-ICFOKQHNSA-N 238.459 6.654 30 40 BKEB CCCCCCCCCCCC[C@H](C)C(C)=O 101104870 OHERYIXJQJIISS-HNNXBMFYSA-N 240.431 5.523 30 40 BKEB CCCCCCCCCC[C@H](C)CCC 2563404 ITVMHPMCNRGCIY-OAHLLOKOSA-N 212.421 5.953 30 40 BKEB biogenic CC/C=C\C/C=C\C/C=C\CCCCCCC=O 30730664 NIPNNUONNZABRE-PDBXOOCHSA-N 248.410 5.385 30 40 BKEB in-vitro CCCCCCCCCCC(=O)CCCC 1605987 NADMBULPSVEFAV-UHFFFAOYSA-N 226.404 5.277 30 40 BKEB C=C(C)CCC[C@@H](C)CC/C=C/c1ccccc1 68564202 BCQUEYYAKXSCBS-BXUGYJKXSA-N 242.406 5.863 30 40 BKEB CCCCCCC/C=C\C(F)(F)C(F)(F)F 309150069 QQJZAKKAQBMAHR-HJWRWDBZSA-N 244.247 5.101 30 40 BKEB C=CCSCCCCCCCCCC 100245957 QIEFEBYHWGTBMH-UHFFFAOYSA-N 214.418 5.046 30 40 BKEB CCCCCCCCCCCCc1ccco1 2572330 YCHOIEWPPPNUFM-UHFFFAOYSA-N 236.399 5.743 30 40 BKEB biogenic CCCCCCCCCCCCC[C@H](C)O 2035245 ALVGHPMGQNBJRC-HNNXBMFYSA-N 228.420 5.068 30 40 BKEB biogenic CCCCCCCCCCCC[C@H](C)CC 2563408 FWXKCXJPHSAYMK-MRXNPFEDSA-N 226.448 6.344 30 40 BKEB biogenic,in-vitro CC1=C/C(=N/c2ccc(Cl)cc2)CC(C)(C)C1 17301419 HCIPAEBEZJWMDW-VKAVYKQESA-N 247.769 5.179 30 40 BKEB CCCCCCCCCCCC(C)=C(F)F 98175110 FVQFXQPFNQDKIF-UHFFFAOYSA-N 232.358 6.078 30 40 BKEB C=C(C)CCC[C@@H](C)/C=C/C=C\c1ccccc1 226336313 LEJSMTBOCQPINL-ZEIDBUPWSA-N 240.390 5.639 30 40 BKEB CCCCCCC#Cc1ccc(CCCC)cc1 101735176 JFHAUPSAKHDOKA-UHFFFAOYSA-N 242.406 5.351 30 40 BKEB CCCCCCCC/C=C/C=C/c1ccccc1 138309855 HFZFTFXFOCZADZ-MKQCFFQWSA-N 242.406 6.007 30 40 BKEB CCCCCCCCCC(=O)c1cccc(C)c1 101474745 HWEXPWICULKISG-UHFFFAOYSA-N 246.394 5.318 30 40 BKEB CCCCCCC/C(C)=N\[C@@H](C)CC(C)C 104361616 FHLCDLBIZLWYOB-RIBQPWQFSA-N 225.420 5.242 30 40 BKEB CCCCCC[C@](CC#N)(CCC)CCCC 2047108 KFYVODJSHSJAAF-INIZCTEOSA-N 237.431 5.847 30 40 BKEB CCCCCCCCCCCCCCCC#N 82149503 WGXGAUQEMYSVJM-UHFFFAOYSA-N 237.431 5.991 30 40 BKEB CCCCCCCCCCC[C@@H](O)CCC 103586880 GVQUJSXHKIUDCK-HNNXBMFYSA-N 228.420 5.068 30 40 BKEB CCCCCCC#Cc1ccc(C(C)C)cc1 101734929 ZHTBAOITXJVTPR-UHFFFAOYSA-N 228.379 5.132 30 40 BKEB C=C(C)CCC(=C)CCC(=C)c1ccc(C)cc1 408947022 NMBHVKQZWYZEAD-UHFFFAOYSA-N 240.390 5.701 30 40 BKEB C=CCCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 95902331 KZAZHPMMKWIYAF-UHFFFAOYSA-N 244.422 5.400 30 40 BKEB CCCCCCCCCCCC[C@H](C)C(=O)O 1731996 BWCZFWIRIAYLHO-AWEZNQCLSA-N 242.403 5.018 30 40 BKEB CCCCCCCCCC(=O)c1cccs1 100931380 DQOJADJTCNMTPI-UHFFFAOYSA-N 238.396 5.072 30 40 BKEB CCCCCCCC#Cc1cc(C)cc(C)c1 101734905 HOCZVRJBLMSCFM-UHFFFAOYSA-N 228.379 5.015 30 40 BKEB C=CCCCCCCCC/C=C/c1cccnc1 13228385 NSYHNTNNNVCHER-ACCUITESSA-N 243.394 5.402 30 40 BKEB CCCCCCCCc1ccc(C(=O)CC)cc1 100069923 JNYGRBAJMGFWPJ-UHFFFAOYSA-N 246.394 5.182 30 40 BKEB C=C(C)Cc1c2ccccc2cc2ccccc12 95902221 AXYGVNWVGQYRAS-UHFFFAOYSA-N 232.326 5.112 30 40 BKEB CC1(C)O[C@H]1C1CCCCCCCCCCC1 98174945 NNAYFJYFINIOHJ-HNNXBMFYSA-N 238.415 5.085 30 40 BKEB CCCCCCCC[C@@H](C)CCCCC(=O)O 72400068 SMOJEURVXRRQOH-CQSZACIVSA-N 242.403 5.018 30 40 BKEB in-vitro CCCCCCCCC(=O)c1cccc(C)c1C 101472917 HJWLBNGJNQFREW-UHFFFAOYSA-N 246.394 5.237 30 40 BKEB CCCCC/C=C/CCCCCCCCC=O 33952213 NBLCOWKIHZCSCF-VOTSOKGWSA-N 238.415 5.443 30 40 BKEB in-vitro F[C@]12CCCCCCCCCCCCC[C@@H]1O2 98174859 IYUYTVVAWNCHJW-GJZGRUSLSA-N 242.378 5.136 30 40 BKEB CCCCCCCCCCCC(C)(C)S 100743747 LMDDHLWHSDZGIH-UHFFFAOYSA-N 230.461 5.616 30 40 BKEB in-vitro CCCCCCCC#Cc1cccc(Cl)c1C 101732951 SZHUHKVPUAWNJE-UHFFFAOYSA-N 248.797 5.360 30 40 BKEB F[C@]12CCCCCCCCCCCCC[C@H]1O2 98174858 IYUYTVVAWNCHJW-CABCVRRESA-N 242.378 5.136 30 40 BKEB CCCCCCCCCCCN1CCCCC1 59663537 RUYVJKRJAWUUPA-UHFFFAOYSA-N 239.447 5.003 30 40 BKEB F[C@@]12CCCCCCCCCCCCC[C@@H]1O2 100645859 IYUYTVVAWNCHJW-LSDHHAIUSA-N 242.378 5.136 30 40 BKEB C=C(C)COC1CCCCCCCCCCC1 98174943 PXXAWCFUBGDDAX-UHFFFAOYSA-N 238.415 5.252 30 40 BKEB C=C(C)CCC[C@H](C)/C=C\C=C\c1ccccc1 68564171 LEJSMTBOCQPINL-SBYYXKRWSA-N 240.390 5.639 30 40 BKEB CCCCCCCCCCCC[C@@H](C)C(=O)O 100302894 BWCZFWIRIAYLHO-CQSZACIVSA-N 242.403 5.018 30 40 BKEB CC(C)=CCC(CC=C(C)C)/C(C)=C\CC#N 12320946 PIDTWHRKVPGDFB-CHHVJCJISA-N 231.383 5.175 30 40 BKEB CCCCCCCCCC/C=C\C(F)(F)F 168069444 KFHGJWMEFGNAGL-QXMHVHEDSA-N 236.321 5.636 30 40 BKEB CCCCCCCC#Cc1ccc(C)c(Cl)c1 101733031 FHERHCVBWBGCFV-UHFFFAOYSA-N 248.797 5.360 30 40 BKEB CCCCCCCCC[C@H](O)CCCCCC 100300703 SFFVATKALSIZGN-MRXNPFEDSA-N 242.447 5.458 30 40 BKEB CCCCCCCC[C@H](O)CCCCCC 2508107 DTRBNFACZVMDEJ-OAHLLOKOSA-N 228.420 5.068 30 40 BKEB C=C(C)CCC[C@@H](C)CCC=Cc1ccccc1 2049240997 BCQUEYYAKXSCBS-KRWDZBQOSA-N 242.406 5.863 30 40 BKEB CCCCCCC/C=C\CCCCCCC 97950155 KWEAIXVWPDMXCR-NXVVXOECSA-N 224.432 6.264 30 40 BKEB in-vitro C=C(CC)CC/C=C(/C)CCC=C(C)C 113077424 APAPGJJZPJQKJJ-QINSGFPZSA-N 206.373 5.426 30 40 BKEB CCCCCCCCc1cccc2ccccc12 59246743 MZOGBVZHJWAQSG-UHFFFAOYSA-N 240.390 5.743 30 40 BKEB C=C(CCCC(=C)c1ccccc1)c1ccccc1 2528349 IADWADXXRTZWQV-UHFFFAOYSA-N 248.369 5.584 30 40 BKEB CCCCCCCNc1cccc2ccccc12 2528909 UXDPRXOBMCVXDZ-UHFFFAOYSA-N 241.378 5.222 30 40 BKEB CCCCCCCCCCC[C@H](O)CCC 103586875 GVQUJSXHKIUDCK-OAHLLOKOSA-N 228.420 5.068 30 40 BKEB CCCCCCCC[C@@H](C)c1ccccc1O 95719411 YYUUSAFRJJBDDU-CQSZACIVSA-N 234.383 5.246 30 40 BKEB CCCCCCCCCCC1CCCC1 1620643 WOUVLFFZQCUYOL-UHFFFAOYSA-N 210.405 5.707 30 40 BKEB CCCCCCCCCCCCC[C@@H](C)O 1760838 ALVGHPMGQNBJRC-OAHLLOKOSA-N 228.420 5.068 30 40 BKEB biogenic CCCCCCCCCCCC[C@@H](C)CCC 78215317 OREPYGSHKSWUCK-KRWDZBQOSA-N 240.475 6.734 30 40 BKEB CCC/C=C/C=C/CCCCCCCCC=O 3630789 OSFASEAZCNYZBW-YTXTXJHMSA-N 236.399 5.219 30 40 BKEB in-vitro CCCCCCCCNc1ccc(Cl)cc1 1683249 KANKTZGXYAHUOW-UHFFFAOYSA-N 239.790 5.112 30 40 BKEB CCCCCCCC(=O)c1ccc(C(C)C)cc1 59384261 QNJMUVSEWQWBDJ-UHFFFAOYSA-N 246.394 5.353 30 40 BKEB CCCCCCCCCCCCSCC#N 2516882 INBMWUQPDJOXCH-UHFFFAOYSA-N 241.444 5.164 30 40 BKEB C=CC1CCC(C2CCC(CCCC)CC2)CC1 55168484 HNJLLLQZSIESBM-UHFFFAOYSA-N 248.454 5.975 30 40 BKEB in-vitro CC(C)CC(C)(C)C#CC(C)(C)CC(C)C 198048227 DCAZNTOSTOZBEI-UHFFFAOYSA-N 222.416 5.134 30 40 BKEB CCCCCCCCCCCCCCSC 100310645 HMRLUJVOJIHNDQ-UHFFFAOYSA-N 244.488 6.051 30 40 BKEB CCCCCCCCC[C@H](CC)c1ccccc1 2173412 PGVOXXHNGYYHHB-KRWDZBQOSA-N 246.438 6.321 30 40 BKEB biogenic,in-vitro C=C(C)CCC[C@@H](C)C=CC=Cc1ccccc1 2049241012 LEJSMTBOCQPINL-KRWDZBQOSA-N 240.390 5.639 30 40 BKEB CCCCCCCCCCCCCCCCF 100035180 SVDDGAXOOORGGW-UHFFFAOYSA-N 244.438 6.437 30 40 BKEB C=C(C)C[C@@H](C)CCCCCCCCCC 101105302 BYHNFRYSPGJUHL-INIZCTEOSA-N 224.432 6.120 30 40 BKEB CCCCCCCCCC[C@@H](O)CCCCC 82189788 ADGQOCBSNYMAQS-INIZCTEOSA-N 242.447 5.458 30 40 BKEB CCCCCCCCC(=O)c1ccc(C)cc1C 101473006 UHBLLNGFOHFHBV-UHFFFAOYSA-N 246.394 5.237 30 40 BKEB CCCCCCCC/N=N/CCCCCCC 102036547 ZLJOAFYQDOEERB-WUKNDPDISA-N 240.435 5.770 30 40 BKEB CCCCCCCCCCCc1ccc(O)cc1 81224706 XJEHLEHQNAUGKA-UHFFFAOYSA-N 248.410 5.466 30 40 BKEB C=C(C)CCCCCCCCCCCCC 2560575 FWQJRKLMXMTXDY-UHFFFAOYSA-N 224.432 6.264 30 40 BKEB CCCCCCCC#Cc1cc(C)ccc1C 101735633 BRGCIXSYMZZRDH-UHFFFAOYSA-N 228.379 5.015 30 40 BKEB C=C(C)CCC[C@H](C)C=CC=Cc1ccccc1 2049241013 LEJSMTBOCQPINL-QGZVFWFLSA-N 240.390 5.639 30 40 BKEB CCCCC1CCC(c2ccc(C#N)cc2)CC1 2569895 YYAVXASAKUOZJJ-UHFFFAOYSA-N 241.378 5.022 30 40 BKEB CCCCCCCC#Cc1cc(Cl)ccc1C 101733182 NKALRVCMHOQWBR-UHFFFAOYSA-N 248.797 5.360 30 40 BKEB CCCCCCCCCC[C@@H](C)CCC 82042136 ITVMHPMCNRGCIY-HNNXBMFYSA-N 212.421 5.953 30 40 BKEB CCCCCCCCCC(=O)c1ccccc1C 101474667 RTVKBAZNUAZYDF-UHFFFAOYSA-N 246.394 5.318 30 40 BKEB CCCCCCCC#Cc1cccc(Cl)c1 101733235 LWCVPLKSVQRTFV-UHFFFAOYSA-N 234.770 5.052 30 40 BKEB C=CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1 79019984 RQRUEJQJCIBXAQ-UHFFFAOYSA-N 230.395 5.010 30 40 BKEB C=C(C)CCC[C@H](C)CC/C=C\c1ccccc1 68564190 BCQUEYYAKXSCBS-XYMPBJBSSA-N 242.406 5.863 30 40 BKEB CCCCCCCCC[C@@H](O)CCCCCC 100300706 SFFVATKALSIZGN-INIZCTEOSA-N 242.447 5.458 30 40 BKEB CCCCCC[C@@](CC#N)(CCC)CCCC 1684147 KFYVODJSHSJAAF-MRXNPFEDSA-N 237.431 5.847 30 40 BKEB CCCCCCCCCc1ccc(S)cc1 1679167 FZXZNIDUTACSLM-UHFFFAOYSA-N 236.424 5.268 30 40 BKEB CCCCCCCCCCCCC[C@H]1CO1 2559328 QMIBIXKZPBEGTE-HNNXBMFYSA-N 226.404 5.086 30 40 BKEB CCCCCCCCCCC(=O)CCCCC 100301502 CIAHHJXQZXLMPN-UHFFFAOYSA-N 240.431 5.667 30 40 BKEB C=C(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1 95902249 UMMVOQXZYAGSBH-UHFFFAOYSA-N 244.422 5.400 30 40 BKEB C=CCCCCCCCCCCCCCC=C 98174973 LGYMYODKHKZIEU-UHFFFAOYSA-N 236.443 6.430 30 40 BKEB CCCCCCCCCCCCN(CC)CC 60138564 IOKYPACLTOWHCM-UHFFFAOYSA-N 241.463 5.249 30 40 BKEB CCCCCCCC(=O)c1cc(C)c(C)cc1C 101475445 CORNRHTYZTWECX-UHFFFAOYSA-N 246.394 5.155 30 40 BKEB CCCCCCCCN(CCCC)CCCC 100075154 PMDQHLBJMHXBAF-UHFFFAOYSA-N 241.463 5.249 30 40 BKEB C=C1C=C(CCC=C(C)C)CC(C)(C)C1 98175134 DVJMVJQUUZCBCZ-UHFFFAOYSA-N 204.357 5.035 30 40 BKEB CC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=C(C)C 2228184 YEYCQCQZZBZWBI-KGQZWIPFSA-N 248.410 5.241 30 40 BKEB CCCCCCCCCC(F)(F)C(F)(F)F 103525660 MIDIJKFBDMDHQL-UHFFFAOYSA-N 246.263 5.325 30 40 BKEB CCCCCCCCCC[Si](C)(C)C 195762265 WTZBVIIGQDJARG-UHFFFAOYSA-N 214.469 5.465 30 40 BKEB C=C(C)CCC[C@@H](C)CCNc1ccc(C)cc1 3845686 BADHNCOIKCHDID-OAHLLOKOSA-N 245.410 5.180 30 40 BKEB biogenic CCCCCCCCCC(=O)c1ccc(C)cc1 100924913 CNJIMVPFOBWAMW-UHFFFAOYSA-N 246.394 5.318 30 40 BKEB C=C(C)CCC[C@H](C)/C=C\C=C/c1ccccc1 68564163 LEJSMTBOCQPINL-SEIQZWNOSA-N 240.390 5.639 30 40 BKEB CCCCCCCCCCCCC(F)(F)F 80028413 BTEUIBDFAWRTOO-UHFFFAOYSA-N 238.337 5.860 30 40 BKEB CCCCCC/C=C/CCCCCCCCO 78036833 LBIYNOAMNIKVKF-BQYQJAHWSA-N 240.431 5.236 30 40 BKEB C=C(Br)CCCCCCCCCC 2567437 VGENESRXYVZZFJ-UHFFFAOYSA-N 247.220 5.426 30 40 BKEB CCCCCCC#Cc1ccc(C(C)(C)C)cc1 101732763 CSFPIXPIVZJVDG-UHFFFAOYSA-N 242.406 5.306 30 40 BKEB CCCCCCCCCCCCC[C@@H]1CO1 100018558 QMIBIXKZPBEGTE-OAHLLOKOSA-N 226.404 5.086 30 40 BKEB CC[C@@H](C)c1ccccc1/N=C/c1cccs1 3241415 OXYLWFJELLTQEE-PILJQMSFSA-N 243.375 5.012 30 40 BKEB C=C(Cl)CCc1ccc(-c2ccccc2)cc1 953053572 CNJVTZJPZZKJIN-UHFFFAOYSA-N 242.749 5.039 30 40 BKEB CCCCCCCC(CO)CCCCCCC 138456370 OKPDIVZFFUVTNZ-UHFFFAOYSA-N 242.447 5.316 30 40 BKEB CCCCCCCCc1nc2ccccc2s1 1682967 XCLWNGDAGJERCT-UHFFFAOYSA-N 247.407 5.199 30 40 BKEB CCCCCCC/C(C)=N\[C@H](C)CC(C)C 104361623 FHLCDLBIZLWYOB-VZHUHSAUSA-N 225.420 5.242 30 40 BKEB CCCCCCCCC[C@@H](O)CCCCC 1606043 RNZYPFVHWLRVPJ-HNNXBMFYSA-N 228.420 5.068 30 40 BKEB C=C(C)CCCCCC(=C)C[Si](C)(C)C 219784801 YGRARURZCIBGSI-UHFFFAOYSA-N 224.464 5.407 30 40 BKEB CC(C)=CCC/C(C)=C/CCC(=O)/C=C/C(C)C 100742162 VWZUNTDYSCRWEC-XTQLBDSXSA-N 248.410 5.241 30 40 BKEB biogenic CCCCCCCC#Cc1ccc(Cl)cc1 101733279 DBZLMFATEMDMJQ-UHFFFAOYSA-N 234.770 5.052 30 40 BKEB C=C(C)C[C@H](C)CCCCCCCCCC 101105305 BYHNFRYSPGJUHL-MRXNPFEDSA-N 224.432 6.120 30 40 BKEB CCCCCCCC[C@H](C)c1ccccc1 111335748 DDTJIQUCOLHYDL-HNNXBMFYSA-N 218.384 5.541 30 40 BKEB in-vitro CCCCCCCC[C@H](C)CCCCC(=O)O 72400069 SMOJEURVXRRQOH-AWEZNQCLSA-N 242.403 5.018 30 40 BKEB in-vitro C=C(C)Cc1ccc(CCCCCCCC)cc1 101105485 XRQXLAAXJNSSQS-UHFFFAOYSA-N 244.422 5.708 30 40 BKEB CCCCCCCCCC[C@H]1CCCCC1=O 109653940 OASJUYZPOKLVIY-HNNXBMFYSA-N 238.415 5.277 30 40 BKEB CCCCCCCCCC[C@@H]1CCCCC1=O 109653937 OASJUYZPOKLVIY-OAHLLOKOSA-N 238.415 5.277 30 40 BKEB C=C(C)Cc1cc2ccccc2c2ccccc12 95902307 ROHLZHNDNSTLGQ-UHFFFAOYSA-N 232.326 5.112 30 40 BKEB CCCCCCCCCCCCN=[N+]=[N-] 100492101 VPPLSWHJXFKIHD-UHFFFAOYSA-N 211.353 5.218 30 40 BKEB CCCCCCCCCCCCSCCC 101020161 JSIGETQGUMEVQW-UHFFFAOYSA-N 244.488 6.051 30 40 BKEB CC1=C/C(=N\c2ccc(Cl)cc2)CC(C)(C)C1 104359629 HCIPAEBEZJWMDW-SAPNQHFASA-N 247.769 5.179 30 40 BKEB CCCCCCCC#Cc1cc(C)c(C)cc1C 101736196 ULNCSRWKTMPQKP-UHFFFAOYSA-N 242.406 5.324 30 40 BKEB C=C(Cl)CCc1ccccc1-c1ccccc1 71795157 JTMQAJCOTCEHMI-UHFFFAOYSA-N 242.749 5.039 30 40 BKEB CCCCCCCCCCCCC1CCCC1 59022879 UFGYKQGTOYNLLD-UHFFFAOYSA-N 238.459 6.488 30 40 BKEB CCCCCC/C=C/CCCCCCC 2600023 ZXFYKYSBFXNVIG-FYWRMAATSA-N 210.405 5.874 30 40 BKEB endogenous,in-man CCCC[P+](CC)(CCCC)CCCC 59341460 HOMONHWYLOPSLL-UHFFFAOYSA-N 231.384 5.424 30 40 BKEB in-vitro CCCCCCCC[C@@H](O)CCCCCC 105406306 DTRBNFACZVMDEJ-HNNXBMFYSA-N 228.420 5.068 30 40 BKEB CCCCCCCCC(=O)c1ccccc1CC 101473386 BTIRCIRCALQRET-UHFFFAOYSA-N 246.394 5.182 30 40 BKEB CCCCCCC/C(C)=N/[C@@H](C)CC(C)C 1675058 FHLCDLBIZLWYOB-IDTYTIONSA-N 225.420 5.242 30 40 BKEB C=CCCCCCCCCCCCC=C 98174977 CXFSMVPFLZVLLK-UHFFFAOYSA-N 208.389 5.650 30 40 BKEB CCCCCCCC[C@H](C)c1ccccc1O 1737298 YYUUSAFRJJBDDU-AWEZNQCLSA-N 234.383 5.246 30 40 BKEB CC1=C/C(=N\c2cc(C)cc(C)c2)CC(C)(C)C1 17301424 DUNSFOWYNIKJBB-FBMGVBCBSA-N 241.378 5.142 30 40 BKEB C=C(CC)CC/C=C(\C)CCC=C(C)C 91351744 APAPGJJZPJQKJJ-NTCAYCPXSA-N 206.373 5.426 30 40 BKEB CCCCCCC/C=C/C(F)(F)C(F)(F)F 103530584 QQJZAKKAQBMAHR-CMDGGOBGSA-N 244.247 5.101 30 40 BKEB CCCCCCCCCCOc1ccccc1 100075271 QECQLMGRLZYSEW-UHFFFAOYSA-N 234.383 5.206 30 40 BKEB CCCCCCCCCC[C@H](O)CCCCC 82189787 ADGQOCBSNYMAQS-MRXNPFEDSA-N 242.447 5.458 30 40 BKEB CCCCCCCCCCCC[C@](C)(O)CC 103000478 PCJGAWYSKMMVAE-MRXNPFEDSA-N 242.447 5.458 30 40 BKEB CCCCCCCCCc1ccc(C(C)=O)cc1 2168754 PWRSUUUQEQAMEV-UHFFFAOYSA-N 246.394 5.182 30 40 BKEB C=C(C)CCC[C@H](C)CC/C=C/c1ccccc1 68564193 BCQUEYYAKXSCBS-YBYKNVHQSA-N 242.406 5.863 30 40 BKEB C=C(C)CCC[C@@H](C)/C=C/C=C/c1ccccc1 103210729 LEJSMTBOCQPINL-ODIIFUDGSA-N 240.390 5.639 30 40 BKEB CCCCCCCCCCC[C@H](O)C(C)(C)C 104041121 HBPOFZORJJJCMN-HNNXBMFYSA-N 242.447 5.314 30 40 BKEB CCCCCCCCCC/C=C/C(F)(F)F 103530795 KFHGJWMEFGNAGL-VAWYXSNFSA-N 236.321 5.636 30 40 BKEB CCCCCCCC#Cc1ccc(Cl)cc1C 101735429 CMVFYBPHBICSPD-UHFFFAOYSA-N 248.797 5.360 30 40 BKEB CCCCCCCCCCC[C@@H](O)C(C)(C)C 1680017 HBPOFZORJJJCMN-OAHLLOKOSA-N 242.447 5.314 30 40 BKEB C=CCCCCCCCCCCC(=C)C 90750429 KUILXAROECAOPQ-UHFFFAOYSA-N 208.389 5.650 30 40 BKEB CCCCCCCCCCCC(F)(F)F 88247237 CZSJZODSDLOLEU-UHFFFAOYSA-N 224.310 5.470 30 40 BKEB CCCCCCCC#Cc1ccc(Cl)c(C)c1 101733115 WRWYGFZUWFCYPY-UHFFFAOYSA-N 248.797 5.360 30 40 BKEB CC[C@H](C)c1ccccc1/N=C/c1cccs1 3241417 OXYLWFJELLTQEE-JASJWYONSA-N 243.375 5.012 30 40 BKEB CCCCCCCCCCCC[C@@](C)(O)CC 103000480 PCJGAWYSKMMVAE-INIZCTEOSA-N 242.447 5.458 30 40 BKEB CCCCCCCc1ccc(C(=O)C(C)C)cc1 575243004 NZYWFOKERQXTPQ-UHFFFAOYSA-N 246.394 5.038 30 40 BKEB CCCCCCCCCCNC1CCCCC1 2509150 QWIJFXJAUNKXGB-UHFFFAOYSA-N 239.447 5.049 30 40 BKEB C=C(C)Cc1ccc(CCCCCCC)cc1 101105371 PWXWFIGFZOGKJJ-UHFFFAOYSA-N 230.395 5.318 30 40 BKEB CCCCCCCCCCCCCCC(C)C 100104887 FNWWOHKUXFTKGN-UHFFFAOYSA-N 240.475 6.734 30 40 BKEB CCCCCCCCCCCCC(=O)CC 2563406 YELXTWKVTZTDCM-UHFFFAOYSA-N 226.404 5.277 30 40 BKEB CCCCCC/C=C\CCCCCCC 100165861 ZXFYKYSBFXNVIG-SQFISAMPSA-N 210.405 5.874 30 40 BKEB C=C(Cl)CCCc1ccc(Cl)c(Cl)c1 953053590 SUXHQKVRDKPYNQ-UHFFFAOYSA-N 249.568 5.069 30 40 BKEB C=C(Br)CCCCCCCCC 2567436 GLDIDTBEPMDSNJ-UHFFFAOYSA-N 233.193 5.036 30 40 BKEB CCCCCCCCCCCCSCC 2168388 QECBTJWQRXCSCU-UHFFFAOYSA-N 230.461 5.660 30 40 BKEB CCCCCCCCNc1ccccc1C(C)C 59088765 AZBLBWIXKCRXMF-UHFFFAOYSA-N 247.426 5.582 30 40 BKEB CCCCCCCC[C@H](O)CCCCCCC 100022552 OLVNUMHZZANJCG-MRXNPFEDSA-N 242.447 5.458 30 40 BKEB CCCCCCCC[C@@H](C)c1ccccc1 111335747 DDTJIQUCOLHYDL-OAHLLOKOSA-N 218.384 5.541 30 40 BKEB in-vitro C=C(C)CC1(Nc2ccccc2C)CCCCC1 2246308 IYFNYARNRJXKGL-UHFFFAOYSA-N 243.394 5.076 30 40 BKEB CCCCCCCC#Cc1ccc(C)cc1C 101735569 UYFFBVTVNYGWDL-UHFFFAOYSA-N 228.379 5.015 30 40 BKEB C=C(C)CCC[C@H](C)/C=C/C=C/c1ccccc1 68564175 LEJSMTBOCQPINL-AZDKDGFUSA-N 240.390 5.639 30 40 BKEB CCCCCCCC/N=N\CCCCCCC 102036544 ZLJOAFYQDOEERB-MSUUIHNZSA-N 240.435 5.770 30 40 BKEB CCCCCCCc1ccc(C(=O)CCC)cc1 575243143 STGABJCXICEMHS-UHFFFAOYSA-N 246.394 5.182 30 40 BKEB CC1=C/C(=N/c2cc(C)cc(C)c2)CC(C)(C)C1 104359657 DUNSFOWYNIKJBB-VLGSPTGOSA-N 241.378 5.142 30 40 BKEB C=C(C)CCC[C@H](C)/C=C/C=C\c1ccccc1 68564168 LEJSMTBOCQPINL-BGQXHVBNSA-N 240.390 5.639 30 40 BKEB CCCCCCCCCc1ccsc1 2504571 UUHSVAMCIZLNDQ-UHFFFAOYSA-N 210.386 5.041 30 40 BKEB in-vitro CCCCCCCCC/C=C\C(F)(F)F 217946844 LSRYERUSJYIXLY-KHPPLWFESA-N 222.294 5.246 30 40 BKEB C=C(C)CCCCCCCOCc1ccccc1 34458576 GBBKORKCNOKTFR-UHFFFAOYSA-N 246.394 5.120 30 40 BKEB CCCCCCCCCCCCC/C=C/CO 97978719 MIDSQDHRRBSMIZ-CCEZHUSRSA-N 240.431 5.236 30 40 BKEB CCCCCCCCC/C=C/C(F)(F)F 103530708 LSRYERUSJYIXLY-ZHACJKMWSA-N 222.294 5.246 30 40 BKEB C=C(C)CCC[C@@H](C)CC/C=C\c1ccccc1 68564197 BCQUEYYAKXSCBS-KCPLEYNQSA-N 242.406 5.863 30 40 BKEB CCCCCCCCCCCC[C@@H](C)C(C)=O 101104874 OHERYIXJQJIISS-OAHLLOKOSA-N 240.431 5.523 30 40 BKEB C=CCCCCCCCCCCCCC=C 57988929 JEJVUMPKJVMOEZ-UHFFFAOYSA-N 222.416 6.040 30 40 BKEB CCCCCCCCCCCC[C@@H](C)CC 70455155 FWXKCXJPHSAYMK-INIZCTEOSA-N 226.448 6.344 30 40 BKEB biogenic,in-vitro CCCCCCCCCCCCC(C)C 2563407 KUVMKLCGXIYSNH-UHFFFAOYSA-N 212.421 5.953 30 40 BKEB endogenous,in-man C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1 1846611 XZRVRYFILCSYSP-OAHLLOKOSA-N 204.357 5.035 30 40 BKEB endogenous,in-man C=C(C)CCC[C@H](C)CCC=Cc1ccccc1 2049240998 BCQUEYYAKXSCBS-QGZVFWFLSA-N 242.406 5.863 30 40 BKEB CCCCCCCCCCCC[C@H](O)CCC 103628783 JIMMILCKVYOFET-MRXNPFEDSA-N 242.447 5.458 30 40 BKEB CCCCCCCCC(=O)c1ccc(CC)cc1 101473446 DSONTYMEBYREDB-UHFFFAOYSA-N 246.394 5.182 30 40 BKEB CCCCCCCCCCCc1ccc[nH]1 83923779 LIZHBNXWXKXCEF-UHFFFAOYSA-N 221.388 5.088 30 40 BKEB in-vitro CCCCCCCC[C@@H](O)CCCCCCC 100022554 OLVNUMHZZANJCG-INIZCTEOSA-N 242.447 5.458 30 40 BKEB CCCCCCCC#Cc1ccc(C)c(C)c1 101735708 GOLXYTMVVNGHKP-UHFFFAOYSA-N 228.379 5.015 30 40 BKEB C=CC[P+](CCCC)(CCCC)CCCC 90734919 FCUPWNWJWSFDMX-UHFFFAOYSA-N 243.395 5.590 30 40 BKEB C=C(C)CCCCCCCCCCCC 2564152 WSNMNSLVXDWAFZ-UHFFFAOYSA-N 210.405 5.874 30 40 BKEB CCCCCCCCCCCCCC(C)C 1701493 BANXPJUEBPWEOT-UHFFFAOYSA-N 226.448 6.344 30 40 BKEB biogenic CCCCCCCCCCCC[C@H](C)CCC 78215318 OREPYGSHKSWUCK-QGZVFWFLSA-N 240.475 6.734 30 40 BKEB biogenic,in-vitro CC[C@@H](C)c1ccccc1/N=C/c1ccsc1 3239233 ZOKIYEDHMZBCSY-HMHNVIDESA-N 243.375 5.012 30 40 BKEB CCCCCCCCCCc1ccc(O)cc1 85947952 CGTLMVREWQIWEC-UHFFFAOYSA-N 234.383 5.075 30 40 BKEB CCCCCCCC#Cc1cccc(C)c1C 101733544 NAXGXIJYWNCTSQ-UHFFFAOYSA-N 228.379 5.015 30 40 BKEB CCCCCCCCC[C@@H](CC)c1ccccc1 2173408 PGVOXXHNGYYHHB-QGZVFWFLSA-N 246.438 6.321 30 40 BKEB biogenic CC1(C)O[C@@H]1C1CCCCCCCCCCC1 98174946 NNAYFJYFINIOHJ-OAHLLOKOSA-N 238.415 5.085 30 40 BKEB C=C(Cl)CCCCCCCCCC 2567443 DMYODEUBDTWIJX-UHFFFAOYSA-N 202.769 5.270 30 40 BKEB CCCCCCCCCCCC(=O)c1ccc[nH]1 59043556 BJZWXCFXHPQTRJ-UHFFFAOYSA-N 249.398 5.118 30 40 BKEB CCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1 100003519 YYAVXASAKUOZJJ-FZNQNYSPSA-N 241.378 5.022 30 40 BKEB C=C(C)CCC[C@H](C)CCNc1ccc(C)cc1 3845685 BADHNCOIKCHDID-HNNXBMFYSA-N 245.410 5.180 30 40 BKEB biogenic CCCCCCCCCCCC[C@@H](O)CCC 103628784 JIMMILCKVYOFET-INIZCTEOSA-N 242.447 5.458 30 40 BKEB CCCCCCC/C(C)=N/[C@H](C)CC(C)C 2047950 FHLCDLBIZLWYOB-DPEHCCBOSA-N 225.420 5.242 30 40 BKEB CC[C@H](C)c1ccccc1/N=C/c1ccsc1 3239235 ZOKIYEDHMZBCSY-SEJMYLSOSA-N 243.375 5.012 30 40 BKEB CCCCCC#Cc1ccc(-c2ccccc2)cc1 59101399 HHSRKLFNDSZGIA-UHFFFAOYSA-N 248.369 5.285 30 40 BKEB F[C@@]12CCCCCCCCCCCCC[C@H]1O2 98174860 IYUYTVVAWNCHJW-HUUCEWRRSA-N 242.378 5.136 30 40 BKEB CCCCCCCCC[C@H](O)CCCCC 100300693 RNZYPFVHWLRVPJ-OAHLLOKOSA-N 228.420 5.068 30 40 BKEB CCCCCCCCC(=O)c1cc(C)ccc1C 101473081 SCQBDABXEQYBLD-UHFFFAOYSA-N 246.394 5.237 30 40 BKEB