smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C1CC[C@@H]2C[C@H]1C(C)(C)CC/C=C/2C 238789328 IHBCABNQXUYYBD-GFUGXAQUSA-N 204.357 4.725 30 1 BJEF C=C[C@@]1(C)Cc2occ(C)c2C(=C)[C@@H]1C(=C)C 2356363392 IUSQJOJQZUNLJG-HOTGVXAUSA-N 228.335 4.542 30 1 BJEF C=C1CCC[C@@]2(C)CC[C@@H]3C(C)(C)C[C@]132 70454077 LTMKWDWWHXRNMO-SNPRPXQTSA-N 204.357 4.559 30 1 BJEF biogenic,in-man C=C1CCC[C@]2(C)[C@@H]3CC[C@@]12CC3(C)C 100780713 BUDWHMNUSAOQBI-BPLDGKMQSA-N 204.357 4.559 30 1 BJEF endogenous,in-man CCCCCCC[C@@H]1CC[C@H](CCCC)N1C 85950527 ZERUIOSVZDUGGN-JKSUJKDBSA-N 239.447 5.000 30 1 BJEF C=CC(=C)CC/C=C(\C)Cc1cc(C)co1 15120599 GTMWPFWQFHCSAQ-MDWZMJQESA-N 216.324 4.599 30 1 BJEF C=C(C)CC/C=C(/C)c1ccc(C)cc1 85851347 ATHANBLXCHRFDY-AUWJEWJLSA-N 200.325 4.755 30 1 BJEF biogenic,in-vitro C=CCCCCC/C=C\CC#CC#CCCC 238755752 SNUOSFBMEJMULV-ICFOKQHNSA-N 228.379 4.876 30 1 BJEF C=C1C=C2[C@@H](CC1)[C@H](C)CC[C@@H]2C(C)C 64634152 RNDFUOKDULDZPR-MCIONIFRSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C[C@@H]1CC[C@H]2O[C@@]2(C)CCCC(C)(C)CC1 238747885 IMOQABUTVTUCRW-NFAWXSAZSA-N 224.388 4.551 30 1 BJEF C=C1C[C@@]2(C)CCCC(C)(C)[C@@]2(C)C1=C 2356512254 WMPBVFYHARBWTL-HUUCEWRRSA-N 204.357 4.725 30 1 BJEF CC(C)=CCCC(C)=CCC[C@@H](C)C=NO 2356512917 KOJGBYOICHNGRF-CQSZACIVSA-N 223.360 4.555 30 1 BJEF C=C(C)[C@H]1CC[C@]2(C)CCCC(C)=C2C1 85598982 MOTCYZHGMCNNRH-ZFWWWQNUSA-N 204.357 4.869 30 1 BJEF C=C(C)[C@H]1CCC(C)=C2CC[C@@H](C)[C@H]2C1 104876504 YHAJBLWYOIUHHM-VNHYZAJKSA-N 204.357 4.725 30 1 BJEF C=C1CCC=C(C)CC[C@H]2[C@@H](C1)C2(C)C 2356691404 IQEVIXMQOAWIDH-UONOGXRCSA-N 204.357 4.725 30 1 BJEF CCCCCC/C=C/CCCCCOC(C)=O 59725131 OVDRSYIZCQEBMO-CMDGGOBGSA-N 240.387 4.637 30 1 BJEF CCCCCCCCC/C=C\CCCC(=O)O 86040419 WUKJHLGRHGXBHM-KHPPLWFESA-N 240.387 4.938 30 1 BJEF CC/C=C/C=C/C=C/CCCCCCC=O 238753210 CXJVYJKPGDEGRZ-ARQDATDDSA-N 220.356 4.605 30 1 BJEF C=C1C=C[C@@H]([C@H](C)CCC=C(C)C)CC1 62233819 PHWISBHSBNDZDX-HUUCEWRRSA-N 204.357 4.891 30 1 BJEF endogenous,in-man C=C1CCC(=C(C)C)[C@@H]2C[C@@H](C)CC[C@@H]12 2356612245 ZSTGSCUNMHSEOB-CQDKDKBSSA-N 204.357 4.725 30 1 BJEF C=C1CC[C@@]2([C@@H](C)CCC=C(C)C)C[C@@H]12 59066033 DYUSFBWNOCHOFP-KKUMJFAQSA-N 204.357 4.725 30 1 BJEF in-man C/C=C/C(=O)[C@H](CC)CCCCCCCC 85734228 YWCLNCPXAMMFQQ-IMBBRHANSA-N 224.388 4.908 30 1 BJEF C=C1C[C@@]2(C)CCCC(C)(C)[C@]2(C)C1=C 2356512251 WMPBVFYHARBWTL-CABCVRRESA-N 204.357 4.725 30 1 BJEF C=CCCCCC[C@H](O)C=CC=CCC=CCC 2356570144 XRQOZSDRIZPYNO-KRWDZBQOSA-N 248.410 4.953 30 1 BJEF CCC/C=C/C(=O)[C@H](CC)CCCCCC 15204833 AXQLANMOWATYMV-JWAFFJSPSA-N 224.388 4.908 30 1 BJEF C=C1CC[C@@H](C)c2c1c(O)c1occ(C)c1c2C 2356497014 WKUCLCFOUJZBAT-MRVPVSSYSA-N 242.318 4.666 30 1 BJEF C=NC1=C(C(C)C)CC[C@@H](C)[C@@]12C=C(C)CC2 2356405554 WYKJNBWZZHZGRM-CZUORRHYSA-N 231.383 4.754 30 1 BJEF CC/C=C/C=C/C=C/CCCCCCCC=O 238780420 VGMSAVVRPQGWAO-ARQDATDDSA-N 234.383 4.995 30 1 BJEF C=C1C=C[C@H](C(C)C)CC(=C)[C@@H](C)C=CC1 2356604933 KWPZQZCXOIHYTB-HOCLYGCPSA-N 216.368 4.913 30 1 BJEF C=CCCCCC=CC=CC#CCCC(=O)CC 2356649471 NIIMFZDAWWZFIG-UHFFFAOYSA-N 244.378 4.608 30 1 BJEF C=C1/C=C/[C@H](C(=C)C)CC/C(C)=C/CC1 238737564 VPPSCJHEMMVYRU-RXJOXMPGSA-N 202.341 4.811 30 1 BJEF C=CCCCC/C=C/C=C/C#CC#CCCC 85831875 RDNRJLZBXUHRHN-TZSXFDEBSA-N 226.363 4.652 30 1 BJEF CCCCCCCCCCC=COC(C)=O 2356738935 MAAMIILYYYQTQW-UHFFFAOYSA-N 226.360 4.594 30 1 BJEF CC(C)=CCC/C(C)=C/CC/C(C)=C/C=N/O 29126378 NJTRDUDZKFPSBJ-GDXIMDLHSA-N 235.371 4.866 30 1 BJEF CC(C)C1=C[C@]2(CC[C@H](C)[C@@H]2C#N)[C@@H](C)CC1 2356517392 IPTOCKJELNOIDK-DARAHFNDSA-N 231.383 4.555 30 1 BJEF C=C(C)C=C1[C@H]2CC[C@@H](C)[C@H]2CC[C@H]1C 2356643915 LOWXYGTWKXWTGY-SYQHCUMBSA-N 204.357 4.581 30 1 BJEF CCCCCCCc1c(C)cccc1C 214271501 UGROAPWGDWIUPC-UHFFFAOYSA-N 204.357 4.816 30 1 BJEF C=C1CCC[C@H](C)CC[C@H]2[C@@H]1CC2(C)C 2356523775 FEPFBYIDQQERDD-YUTCNCBUSA-N 206.373 4.805 30 1 BJEF C=C[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]2C)[C@H]1C 86043085 WWXVUFOHSHXMKJ-CTHBEMJXSA-N 204.357 4.581 30 1 BJEF C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@@H]2C1 59778397 YOVSPTNQHMDJAG-KKUMJFAQSA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C[C@@](C)(O)C[C@@H](C)/C=C(\C)CCC=C(C)C 523042030 CHXJEFZZXGNAML-QNHDLBPPSA-N 236.399 4.642 30 1 BJEF biogenic CC(=O)/C=C/C=C(\C)CC/C=C(\C)CC(C)C 1661742 IEWGQFMOWVUPCU-WJCSPQFJSA-N 234.383 4.851 30 1 BJEF C=C1CC/C=C(\C)CC[C@H]2[C@H](C1)C2(C)C 238733027 IQEVIXMQOAWIDH-IOMPXFEGSA-N 204.357 4.725 30 1 BJEF C=C(C)C=C1[C@H](C)CC[C@@H]2[C@H](C)CC[C@@H]12 2356643912 LOWXYGTWKXWTGY-AAVRWANBSA-N 204.357 4.581 30 1 BJEF C=C1C[C@]2(C)CC[C@H](C)[C@H](C)[C@]2(C)C1=C 2356435610 HWUPIPCEJJWJBV-HQRZJTNHSA-N 204.357 4.581 30 1 BJEF C=CCCCC/C=C\C=C\C#C/C=C/C=C\C 238785402 QXLWCTMPQRBCAQ-ADLCYKRCSA-N 226.363 4.981 30 1 BJEF C=C(C)[C@@H]1C=C2[C@@H](C)CCC[C@@]2(C)CC1 2356575437 MZWGOWHEHPSPES-YDHLFZDLSA-N 204.357 4.725 30 1 BJEF C=C1CCC2=C1CC[C@H](C)[C@H]2[C@H](C)CC 2356784211 NPKSUVAWVNLXQO-IFUGULHKSA-N 204.357 4.725 30 1 BJEF CCCCCCC[C@H]1CC[C@H](CCCC)N1 1547844 FIXZYWKWWCBXRZ-GJZGRUSLSA-N 225.420 4.658 30 1 BJEF biogenic,in-vitro C=C1CC[C@H]2S[C@@H]1[C@H]1[C@H](C(C)C)CC[C@]12C 238770909 HVLGGQYBXOJMLO-QRTUWBSPSA-N 236.424 4.509 30 1 BJEF C=C1CC[C@H]2S[C@H]1[C@@H]1[C@H](C(C)C)CC[C@@]21C 257439979 HVLGGQYBXOJMLO-ZQNQSHIBSA-N 236.424 4.509 30 1 BJEF endogenous,in-man C=C1C=CC[C@@H](C)[C@]12CCC(=C(C)C)C2 85892620 CSRZVTLTICSDRH-HIFRSBDPSA-N 202.341 4.645 30 1 BJEF C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2 95635596 DVBSKQAFCDJNSL-RBSFLKMASA-N 204.357 4.725 30 1 BJEF in-vitro CCCO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 103202199 SEOGVJVYNBGYPK-SJCUQYERSA-N 249.398 4.728 30 1 BJEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)C1CCCCC1 2356355339 DZDSYUDLAQUDGR-AEGPPILISA-N 204.357 4.559 30 1 BJEF C=C1C[C@H]2CC[C@H]1[C@]2(C)CCC=C(C)C 2356438918 XWQLUVQFUZQPDY-RBSFLKMASA-N 204.357 4.725 30 1 BJEF CCCCCCC[C@H](C)CC[C@@H](C)C(=O)OC 85642754 BKHMSXPYSALZNS-UONOGXRCSA-N 242.403 4.572 30 1 BJEF C=C1CC[C@]2(C)C[C@@H]1[C@@]1(C)CCC[C@]21C 100197209 RTONMYLSQISFQA-GBJTYRQASA-N 204.357 4.559 30 1 BJEF in-vitro C=C1CC[C@@H]2[C@H](C2(C)C)[C@]2(C)[C@H](C)CC[C@H]12 2356485427 GLUNTGLRPJSTGN-UTGUJQJDSA-N 218.384 4.661 30 1 BJEF C=C[C@]1(C)CC[C@@H](C)[C@@](C)(CCC=C(C)C)O1 2356636799 VQUJDMXSSYLYRV-BZUAXINKSA-N 236.399 4.883 30 1 BJEF C=C1C=C[C@@H](C(C)C)CC=C(C)CCC1 2356668257 JMOYCSMEBMEYRX-OAHLLOKOSA-N 204.357 4.891 30 1 BJEF CC1=C[C@]2(CC1)[C@H](C)CC[C@H](C(C)C)[C@H]2C#N 2356740370 CIPHPJLGWPIWGY-KLHDSHLOSA-N 231.383 4.555 30 1 BJEF CCCCCCCCCCC/C=C/C(=O)OC 70455487 CKTWGIPZKUEHIY-BUHFOSPRSA-N 240.387 4.637 30 1 BJEF biogenic,in-vitro C=C1CC[C@]2([C@@H](C)CCC=C(C)C)C[C@@H]12 100198930 DYUSFBWNOCHOFP-SOUVJXGZSA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C(C)[C@@]1(C)C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 254005627 LPSXYEZZVVMXGM-DJUDZHIXSA-N 242.406 4.517 30 1 BJEF C=C1C=C2CCC[C@@H]3CC=C[C@]4([C@H]1C4(C)C)[C@@]23C 2356769865 PJQHHUZJEWLKTR-MOIQIXESSA-N 240.390 4.891 30 1 BJEF C=C(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@@H](C)CC2 85598975 ADIDQIZBYUABQK-AGIUHOORSA-N 204.357 4.725 30 1 BJEF in-man C=C1CCC[C@]2(C)[C@]13CC[C@H]1C(C)(C)C[C@]123 2356518231 JTDDQVIWIAOYMN-UKMLZYKCSA-N 216.368 4.559 30 1 BJEF C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CCC=C(C)C 8234291 PGBNIHXXFQBCPU-ZNMIVQPWSA-N 204.357 4.725 30 1 BJEF endogenous,in-man CCCCCCCCCCCC/C=C/C(=O)O 59359372 HOGWBMWOBRRKCD-BUHFOSPRSA-N 240.387 4.938 30 1 BJEF biogenic,in-vitro C=C[C@](C)(O)C[C@@H](C)C=C(C)CCC=C(C)C 2356290834 CHXJEFZZXGNAML-HOTGVXAUSA-N 236.399 4.642 30 1 BJEF C=C1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1 85880235 COEMCKKNQLRLNH-ZNMIVQPWSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=C(Cl)C(=C)CCC(Cl)=C(C)C 85952723 XZTMOOPVCCSPAZ-UHFFFAOYSA-N 205.128 4.608 30 1 BJEF CCCCC=CCCCCCCCC=O 2356608031 ANJAOCICJSRZSR-UHFFFAOYSA-N 210.361 4.662 30 1 BJEF C=CCCCCCC=CCC=CC=C[C@H](O)CC 2356486009 AQUQHVOAVQKVSI-QGZVFWFLSA-N 248.410 4.953 30 1 BJEF C=C(C)CCC=C(C)c1ccc(C)cc1 2356655206 ATHANBLXCHRFDY-UHFFFAOYSA-N 200.325 4.755 30 1 BJEF C=C1CC[C@]2([C@H](C)CCC=C(C)C)C[C@H]12 100778178 DYUSFBWNOCHOFP-RBSFLKMASA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@H](C)CC2 136796782 ADIDQIZBYUABQK-UPJWGTAASA-N 204.357 4.725 30 1 BJEF C=N[C@]1(C)CC[C@@H]([C@H](C)/C=C/C=C(C)C)CC1 238754937 KXKCHNIJZRWRCT-VWLVSRPKSA-N 233.399 4.794 30 1 BJEF CC(C)C1=C[C@]2(C#N)[C@H](C)CCC[C@@]2(C)CC1 2356801913 RTVUMYURHDMELK-KBMXLJTQSA-N 231.383 4.699 30 1 BJEF C=C(C)C1=C[C@@]2(CC1)C(C)=CCC[C@H]2C 85892640 KEVTZKPBXQTBSV-HIFRSBDPSA-N 202.341 4.645 30 1 BJEF C=C1C=C[C@@H](C(C)C)CCC=C(C)CC1 2356444926 OJIGFVZZEVQUNV-HNNXBMFYSA-N 204.357 4.891 30 1 BJEF C=C(C)[C@@H]1C=C[C@]2(C)CCC[C@@H](C)[C@H]2C1 2356627098 VTGQKWZAEGHONH-TUVASFSCSA-N 204.357 4.581 30 1 BJEF C=C1CCCC(C)(C)[C@H]1CCc1ccoc1 14638722 RYVVGLTVSWRFPW-AWEZNQCLSA-N 218.340 4.595 30 1 BJEF biogenic C=N[C@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1 238778007 VKLBSCHQOBWQJU-JKSUJKDBSA-N 233.399 4.939 30 1 BJEF C=C1CC[C@]2(C)C[C@H]1[C@@]1(C)CCC[C@]21C 62235139 RTONMYLSQISFQA-KBUPBQIOSA-N 204.357 4.559 30 1 BJEF in-vitro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c1ccc(O)cc1)C(=C)C 2356619674 PKUFKRZKPOCIRZ-UHFFFAOYSA-N 228.335 4.564 30 1 BJEF CCCCCCCCC/C(N=O)=C1/C=CC=CN1 100529917 RXEQFWRGZFSYCJ-CCEZHUSRSA-N 248.370 4.778 30 3 BJEF C=C1C=C[C@@H]2[C@H](C)CCC(=C(C)C)[C@@H]2C1 2356679178 IYQNJZNZDXORJP-YUELXQCFSA-N 202.341 4.501 30 1 BJEF CC=CC=CC#CCC=CCCCCC 2356389836 IXBVGWZMFCTUHY-UHFFFAOYSA-N 202.341 4.649 30 1 BJEF C=C1/C=C/[C@H](C(C)C)C/C=C(/C)CCC1 238779534 JMOYCSMEBMEYRX-DIGAFZHDSA-N 204.357 4.891 30 1 BJEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CC[C@H]12 136789353 RLNLRKHTQIXWHM-RRFJBIMHSA-N 204.357 4.725 30 1 BJEF CCC=CC=CC=CC=CCCCCCC=O 2356475358 YUUBIYBMKPBDMR-UHFFFAOYSA-N 232.367 4.771 30 1 BJEF C=C1CCC[C@@]2(C)[C@@H]3CC[C@@]12CC3(C)C 104370695 BUDWHMNUSAOQBI-VHDGCEQUSA-N 204.357 4.559 30 1 BJEF in-man C=C[C@@]1(C)CC[C@@]2(C)C(=C)[C@@H]1CC[C@H]2C 238737526 UYQNCGFXZZVAAK-UQOMUDLDSA-N 204.357 4.581 30 1 BJEF C=C1CCC=C(C)CC[C@H]2[C@H](C1)C2(C)C 2356691402 IQEVIXMQOAWIDH-KBPBESRZSA-N 204.357 4.725 30 1 BJEF C=C1CCC[C@H](C)[C@]1(C)CCc1ccoc1 14594056 VFZHDBFYTSLCHG-DZGCQCFKSA-N 218.340 4.595 30 1 BJEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC=CC(C)=C2C1 59588944 LGRISOGTKBAJPA-UKRRQHHQSA-N 202.341 4.645 30 1 BJEF biogenic,in-vitro C=C(C)C(=CBr)CCC=C(C)C 2356797577 ODAACNPRUXJOIL-UHFFFAOYSA-N 229.161 4.588 30 1 BJEF C/C=C\C#CC#C/C=C\C=C/CCCCCC 238762228 KJZIXCGHDVCNHL-AJUVZCKNSA-N 226.363 4.652 30 1 BJEF C=C[C@]1(C)CC=C2CCC(C)(C)[C@@H]2CC1 85532121 XFFSZJFAUMNTMB-UKRRQHHQSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=NC1(C)CCC([C@H](C)C=CC=C(C)C)CC1 2356680516 KXKCHNIJZRWRCT-QQFBHYJXSA-N 233.399 4.794 30 1 BJEF C=C(C)[C@@H]1CC[C@H](C)[C@H]2CC=C(C)C[C@@H]12 2356649756 YJEJSDONBOFVNH-XQLPTFJDSA-N 204.357 4.581 30 1 BJEF CC(C)=CCC[C@@H](C)[C@@]1(C)CCC(C)=CC1=O 2356687050 BQSSVHXJCDPXOQ-GDBMZVCRSA-N 234.383 4.684 30 1 BJEF C=C1C=C[C@@H](C(C)C)C=CC(C)=CCC1 2356609007 LPYFASJMDIQFLG-OAHLLOKOSA-N 202.341 4.667 30 1 BJEF CC(C)CCCCCCCC=CCC#N 2356325931 RKWOPJGPDIRMKB-UHFFFAOYSA-N 207.361 4.843 30 1 BJEF C=C1[C@H](C)[C@@]2(C)C(C)=C(C)[C@@](C)([C@@H]1C)[C@H]2C 2356467844 GXPHTJFKVOCWKQ-MKQBWNJJSA-N 218.384 4.827 30 1 BJEF CCCCCCCC/C=C/CCCC=O 59725531 HJCIVWWOKIXNOJ-MDZDMXLPSA-N 210.361 4.662 30 1 BJEF C=C1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 136792118 IQLMHLRIRXSXLQ-HIFRSBDPSA-N 204.357 4.725 30 1 BJEF C=CCCCCCC=CCC=CC=C[C@@H](O)CC 2356486008 AQUQHVOAVQKVSI-KRWDZBQOSA-N 248.410 4.953 30 1 BJEF C=CCCCCC/C=C/CC#CC#C/C=C/C 111464737 OJWVHJFAQCYGMT-FYBNGVAASA-N 226.363 4.652 30 1 BJEF C=C1CCC[C@]2(C)C=CC(=C(C)C)C[C@@H]12 85757676 KKLLWPPBHBDDQD-LSDHHAIUSA-N 202.341 4.645 30 1 BJEF CC=CC#CC#CCC=CCCCCCCC 2356603525 JUPBZYWIMLHFNX-UHFFFAOYSA-N 228.379 4.876 30 1 BJEF C/C(=C/C=C/C(C)C)[C@H]1CC[C@](C)(C#N)CC1 299806888 CJKGYZTWQDYRJY-QXDZMYHUSA-N 231.383 4.865 30 1 BJEF C=C1CC[C@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1 100781772 COEMCKKNQLRLNH-ILXRZTDVSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@H]2[C@@H]1C#N 2356487034 MKDBNCXLLZZPAL-QMHWVQJVSA-N 231.383 4.555 30 1 BJEF C=C1CCC(C)(C)C2=CCCC(C)(C)[C@H]12 85540961 DOTPZZZHOADLRP-CYBMUJFWSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro CCC/C=C\C=C\CCCCCCCC=O 59725534 HBRILLUVVCIJEX-SCFJQAPRSA-N 222.372 4.829 30 1 BJEF C=CCCCCC/C=C\C=C\[C@H](O)C/C=C\CC 15269681 VGLGLCFUSXLBSJ-YEKOQZTRSA-N 248.410 4.953 30 1 BJEF C=C(C)[C@H]1C=C[C@@H](C)CCC=C(C)CC1 2356651452 OAOGSSAAVUPEKA-LSDHHAIUSA-N 204.357 4.891 30 1 BJEF CCCc1[nH]c2ccc([C@H](C)CC)cc2c1C#N 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206.373 4.805 30 1 BJEF CCCCCCCCCC=CCCCC(=O)O 2356413321 WUKJHLGRHGXBHM-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF [N-]=[N+]=Nc1nc2ccccc2c(N=[N+]=[N-])c1Cl 17253745 CWMGIBFIUQOSPK-UHFFFAOYSA-N 245.633 4.772 30 1 BJEF C=C(C)C=C1[C@H]2CC[C@H](C)[C@H]2CC[C@H]1C 2356643913 LOWXYGTWKXWTGY-DGAVXFQQSA-N 204.357 4.581 30 1 BJEF C=C(C)[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C[C@@H]12 83923933 HMTAHNDPLDKYJT-BARDWOONSA-N 204.357 4.581 30 1 BJEF in-vitro C=CCCCCCC=CCC#CC#CC=CC 2356536536 OJWVHJFAQCYGMT-UHFFFAOYSA-N 226.363 4.652 30 1 BJEF C=C(C)[C@H]1CC=C(C)[C@@H]2CC[C@H](C)C[C@@H]12 85489228 DZTRMTFGDPGXQR-ATGSNQNLSA-N 204.357 4.581 30 1 BJEF biogenic,in-vitro CCCC[C@H](C#N)c1ccc(C(F)(F)F)cc1 95873038 JFZLSJATUYOYEI-LLVKDONJSA-N 241.256 4.503 30 1 BJEF C=C1C=CC(=C(C)C)CCC(C)=CCC1 2356650653 MAEHOUIVWGFBMO-UHFFFAOYSA-N 202.341 4.956 30 1 BJEF C=N[C@]1(C)CCC[C@]2(C)CCC[C@H](C(=C)C)[C@H]21 238739320 NBCQVYAMURKKGX-LVQVYYBASA-N 233.399 4.628 30 1 BJEF C=C(C)C=CC[C@H](C)c1ccc(C)cc1 2356400376 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C=C(Cl)C(=C)CCC(Br)=C(C)C 85855952 YEIUGFLZHTVQPT-UHFFFAOYSA-N 249.579 4.764 30 1 BJEF C=C(C)[C@@]1(C)C2C[C@@H]3C4CC5C[C@@H]3C1[C@@H](C5)[C@@H]4C2 102794267 LPSXYEZZVVMXGM-JUDGJHCHSA-N 242.406 4.517 30 1 BJEF C=C1CC[C@H]2S[C@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 257439978 HVLGGQYBXOJMLO-XPABHHOTSA-N 236.424 4.509 30 1 BJEF endogenous,in-man CCCCCCC/C=C\CCCCCC(=O)O 147217871 IAGOGSZOIKMSGL-HJWRWDBZSA-N 240.387 4.938 30 1 BJEF C=C1CCC=C(C)CC[C@@H]2[C@H](CC)[C@@H](C)[C@@H]12 2356741282 ZFAPNVWTEQGQGL-KLHDSHLOSA-N 218.384 4.971 30 1 BJEF C=C1CC[C@H](C(C)C)c2cc(C)ccc21 85880345 KFYISTOZYAKAPV-CYBMUJFWSA-N 200.325 4.542 30 1 BJEF in-man C=CC(C)(C)c1ccc2[nH]c3ccccc3c2c1 1772581202 OOIPMHWOLRWLPR-UHFFFAOYSA-N 235.330 4.785 30 1 BJEF C=C(C)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21 83923934 HMTAHNDPLDKYJT-QPSCCSFWSA-N 204.357 4.581 30 1 BJEF in-vitro CCCCCCCCc1ccccc1OC(C)=O 43397014 QIVYOZULGVIRKZ-UHFFFAOYSA-N 248.366 4.515 30 1 BJEF C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CCC[C@@H]2C 968081 WEZDOYDDKIHCLM-ZNMIVQPWSA-N 204.357 4.725 30 1 BJEF biogenic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biogenic,in-vitro C=C(C)[C@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@H]12 201708876 HMTAHNDPLDKYJT-LJISPDSOSA-N 204.357 4.581 30 1 BJEF C/C=C/C#CC#CC/C=C\CCCCCCC 238737009 JUPBZYWIMLHFNX-WZABUZRASA-N 228.379 4.876 30 1 BJEF C=C1C=C[C@@H]([C@H](C)CC=CC(C)C)CC1 2356690535 BLRXLFGWMDWNEJ-HUUCEWRRSA-N 204.357 4.747 30 1 BJEF C=C1C=C[C@H]([C@H](C)CC=CC(C)C)CC1 2356690533 BLRXLFGWMDWNEJ-CABCVRRESA-N 204.357 4.747 30 1 BJEF C=C1CCCC(C)=CC[C@H]2[C@H]1CC2(C)C 2356354615 NSMRKFBAPAOVQL-KBPBESRZSA-N 204.357 4.725 30 1 BJEF CCCC/C=C\CCC/C=C\CCCC=O 164759721 QVECBYWMAHQYNQ-VIFBMRGNSA-N 222.372 4.829 30 1 BJEF CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2C#N 38524865 CIPHPJLGWPIWGY-QKPAOTATSA-N 231.383 4.555 30 1 BJEF CC/C=C/C=C/C=C\CCCCCCCC=O 238787458 VGMSAVVRPQGWAO-CQXHLCGLSA-N 234.383 4.995 30 1 BJEF C=C[C@](C)(O)C[C@H](C)/C=C(\C)CCC=C(C)C 523042029 CHXJEFZZXGNAML-MEDRYPNSSA-N 236.399 4.642 30 1 BJEF biogenic C=C1C=CC[C@H](C)[C@H]2CC(=C(C)C)C[C@H]12 2356467349 NEOTVNADILFROJ-NWANDNLSSA-N 202.341 4.501 30 1 BJEF C=C(C)[C@@H]1CCC(=C)[C@@H]2CC[C@H](C)C[C@H]12 2356786382 APFZWZPVIZAYDS-CYUUQNCZSA-N 204.357 4.581 30 1 BJEF CCCCCC/C=C/CCc1ccc(O)cc1 44280730 RQVUFITWWLNDGP-BQYQJAHWSA-N 232.367 4.851 30 1 BJEF C=C(C)C=CC=C(C)[C@@H]1CC=C(C)CC1 2356613352 IKNIELYOBJXLKD-OAHLLOKOSA-N 202.341 4.811 30 1 BJEF C=C1CCCC(C)(C)[C@H]2C=C(C)CC[C@@H]12 59778544 ZJSIKVDEOWWVEH-KBPBESRZSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C(C)[C@H]1CCC[C@@]2(C)CCC=C(C)[C@H]12 95911784 OLYGAQAHPBFDGU-RBSFLKMASA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C1C[C@H]2CC[C@H]1[C@@]2(C)CCC=C(C)C 2356438917 XWQLUVQFUZQPDY-KFWWJZLASA-N 204.357 4.725 30 1 BJEF C=C(C)[C@@H]1C=C[C@]2(C)CCC[C@@H](C)[C@@H]2C1 2356627097 VTGQKWZAEGHONH-KBXIAJHMSA-N 204.357 4.581 30 1 BJEF C=C1CC[C@@]2(C)C[C@@H]1[C@@]1(C)CCC[C@]21C 62235142 RTONMYLSQISFQA-BYNSBNAKSA-N 204.357 4.559 30 1 BJEF in-vitro C=C/C=C/CC/C=C/C=C/C#C/C=C/CCC 85831827 WRLTVMQXNNNVTK-CARMZGJUSA-N 226.363 4.981 30 1 BJEF C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C 62612244 DGZBGCMPRYFWFF-SOUVJXGZSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C[C@H]12 83923931 HMTAHNDPLDKYJT-LXTVHRRPSA-N 204.357 4.581 30 1 BJEF in-vitro C=C(C)[C@]1(C)C2C[C@H]3C4CC5C[C@@H]3C1[C@H](C5)[C@H]4C2 254005631 LPSXYEZZVVMXGM-YFCBLZEWSA-N 242.406 4.517 30 1 BJEF C=C1C=C[C@H]([C@@H](C)CC=CC(C)C)CC1 2356690534 BLRXLFGWMDWNEJ-GJZGRUSLSA-N 204.357 4.747 30 1 BJEF CCCCCCCCC=CCCCC=O 2356742273 HJCIVWWOKIXNOJ-UHFFFAOYSA-N 210.361 4.662 30 1 BJEF CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(S)[C@@H]2CC1 13381697 NHIPRVZTDBRCSA-BYNSBNAKSA-N 238.440 4.713 30 1 BJEF C=C1CC[C@@H]2S[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@@]21C 104374544 HVLGGQYBXOJMLO-QTVXIADOSA-N 236.424 4.509 30 1 BJEF in-man C=C(C)[C@@H]1CC[C@@H]2C=CC[C@@H](C)[C@]2(C)C1 238755107 TYRTXVSUGJUNBU-KBXIAJHMSA-N 204.357 4.581 30 1 BJEF C=C(C)[C@H]1CC[C@]2(C)CCC=C(C)[C@H]2C1 70455020 OZQAPQSEYFAMCY-ZNMIVQPWSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@@H]2[C@@H]1C#N 2356487036 MKDBNCXLLZZPAL-RBZJEDDUSA-N 231.383 4.555 30 1 BJEF C=C(CCC)CCC=CC=CC#CC#CC=CC 2356536241 RVVYNCONSGASKO-UHFFFAOYSA-N 238.374 4.818 30 1 BJEF C=C(C)CC=C1C(=C)[C@@H]2C[C@@H]2CC1(C)C 2356329005 PHDRQUPMFWWDKK-OLZOCXBDSA-N 202.341 4.501 30 1 BJEF C=C(C)[C@@H]1CC=C(C)[C@@H]2CC[C@H](C)C[C@@H]12 85880252 DZTRMTFGDPGXQR-MXAVVETBSA-N 204.357 4.581 30 1 BJEF CCCCCCC=CCCc1ccc(O)cc1 2356733397 RQVUFITWWLNDGP-UHFFFAOYSA-N 232.367 4.851 30 1 BJEF C=C1/C=C/[C@H](C(C)C)CC(=C)[C@@H](C)/C=C\C1 238771973 KWPZQZCXOIHYTB-MFFLIGBFSA-N 216.368 4.913 30 1 BJEF CC(C)[C@@]1(C#N)C=C2[C@H](C)CCC[C@@]2(C)CC1 2356791543 IRQOZLLZRHAPAM-VNQPRFMTSA-N 231.383 4.699 30 1 BJEF C=C1CC[C@@H](C(C)C)[C@@]12CC=C(C)CC2 85561737 QZGRYPDXCBFNRS-LSDHHAIUSA-N 204.357 4.725 30 1 BJEF C=C1C=C[C@@H](C(C)C)CC(=C)C(=C)C=CC1 2356535111 WZFNHPHAMLEQAE-MRXNPFEDSA-N 214.352 4.833 30 1 BJEF C=C1CCC=C(C)CC[C@@H]2[C@H](C1)C2(C)C 2356691403 IQEVIXMQOAWIDH-KGLIPLIRSA-N 204.357 4.725 30 1 BJEF CCCCCCCCc1nc(C)c(C)s1 95620566 HGRFDZGIRVFJRV-UHFFFAOYSA-N 225.401 4.663 30 1 BJEF endogenous,in-man C=C1/C=C/C(C)(C)C/C=C\C(C)=C\CC1 238783452 AQQFCRQYFDNHOU-LLUMKHBISA-N 202.341 4.811 30 1 BJEF C=C1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@H]2C1 85880227 COEMCKKNQLRLNH-RRFJBIMHSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=N[C@](C)(CC=CC(C)C)[C@@H]1CC=C(C)CC1 2356682922 ARSVAWWOLPBRLX-HZPDHXFCSA-N 233.399 4.794 30 1 BJEF CCC/C=C/C(=O)c1coc2ccc(Cl)cc12 587275759 FMDPCIKWDZJBSY-SNAWJCMRSA-N 248.709 4.625 30 1 BJEF C=C1C=C2CCC[C@@H]3CC=C[C@]4([C@@H]1C4(C)C)[C@@]23C 2356769862 PJQHHUZJEWLKTR-AETAKHFUSA-N 240.390 4.891 30 1 BJEF C=C1CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@H]13 2356609192 RCGLTTGXVYELGT-SNPRPXQTSA-N 204.357 4.559 30 1 BJEF C#CC=CCC=CCC=CCCCCC 2356442601 JILBDPXCMIIPDP-UHFFFAOYSA-N 202.341 4.649 30 1 BJEF CCCCCCCCCCOC(=O)[C@H](C)CC 136872366 ZWFIAWXGRNQTQA-CQSZACIVSA-N 242.403 4.716 30 1 BJEF C=CCCCCCC=CC=C[C@@H](O)CC=CCC 2356674102 VGLGLCFUSXLBSJ-KRWDZBQOSA-N 248.410 4.953 30 1 BJEF CCCCCCCCCC(C)=CCCC(=O)O 2356375604 DWUVGORCCDTCPF-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF C=C(C)[C@@H]1CC[C@@]2(C)C(=CCC[C@H]2C)C1 238771533 ZBXFZBYDHOUBGY-UMVBOHGHSA-N 204.357 4.725 30 1 BJEF C=C1CC[C@H](C(C)(C)C)[C@H]2C=C(C)CC[C@@H]12 2356455250 LUBYGTIKTCHQJX-KKUMJFAQSA-N 218.384 4.971 30 1 BJEF CCCCCCCC(C)(C)Oc1ccc(N)cc1 42989581 AXNWYANDQINHAI-UHFFFAOYSA-N 249.398 4.787 30 1 BJEF CCCCCC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 1772658122 UOBJSDHXXVVTJJ-SQGGEIARSA-N 235.415 4.854 30 1 BJEF C=CC=CCCC=CC=CC#CC=CCCC 2356695185 WRLTVMQXNNNVTK-UHFFFAOYSA-N 226.363 4.981 30 1 BJEF C=C[C@]1(C)Cc2occ(C)c2C(=C)[C@H]1C(=C)C 85491805 IUSQJOJQZUNLJG-HZPDHXFCSA-N 228.335 4.542 30 1 BJEF biogenic,in-vitro C=C1C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13C 85944132 KPKLYXVMHOVJJL-MYPMTAMASA-N 204.357 4.559 30 1 BJEF C=C(C)[C@@]12CCC[C@]3(C)[C@H]1CC[C@]3(C)C2 206554244 MTBNHGFRLZSOTC-TUVASFSCSA-N 204.357 4.559 30 1 BJEF C=C1CC[C@]2([C@@]3(C)CCCC3(C)C)C[C@H]12 238762215 YMPBLULPBSVQLP-SNPRPXQTSA-N 204.357 4.559 30 1 BJEF C/C=C/C=C/C#CC/C=C\CCCCC 238773548 IXBVGWZMFCTUHY-SLEQJIPZSA-N 202.341 4.649 30 1 BJEF CC[C@H](C)c1[nH]c2c(C)cc(Cl)cc2c1C#N 587625057 ZGBYNNCEGCALBV-QMMMGPOBSA-N 246.741 4.515 30 1 BJEF CCC/C=C/C(=O)[C@@H](CC)CCCCCC 15204834 AXQLANMOWATYMV-UELRPHRMSA-N 224.388 4.908 30 1 BJEF CC/C=C\C=C\C=C/C=C\CCCCCC=O 225159817 YUUBIYBMKPBDMR-SDOBVRSVSA-N 232.367 4.771 30 1 BJEF CCCCCCC[C@H]1CC[C@@H](CCCC)N1 83922086 FIXZYWKWWCBXRZ-CABCVRRESA-N 225.420 4.658 30 1 BJEF in-vitro C=C(C)/C=C/C=C(\C)[C@H]1CC=C(C)CC1 141458933 IKNIELYOBJXLKD-ZATLCOBCSA-N 202.341 4.811 30 1 BJEF C=C(C)[C@H]1CCC[C@@]2(C)CCCC(=C)[C@H]12 85813055 HRMKWYBXBKFOIS-RBSFLKMASA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=N[C@](C)(CCC=C(C)C)[C@@H]1CC=C(C)CC1 2356738727 VKLBSCHQOBWQJU-HZPDHXFCSA-N 233.399 4.939 30 1 BJEF CCCCCCC[C@@H](O)CC[C@@H](C)CCC 86052271 SVAGMMFIDBCZJL-LSDHHAIUSA-N 228.420 4.924 30 1 BJEF C=NC(=C(C)C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@H]12 2356484524 XUTBQTNSVJYADJ-IIAWOOMASA-N 231.383 4.754 30 1 BJEF C=CC(=C)CCC=C(C)Cc1cc(C)co1 2356663439 GTMWPFWQFHCSAQ-UHFFFAOYSA-N 216.324 4.599 30 1 BJEF C=C1CCCC(C)=CC[C@@H]2[C@@H]1CC2(C)C 2356354618 NSMRKFBAPAOVQL-ZIAGYGMSSA-N 204.357 4.725 30 1 BJEF CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/OC(C)C 103202201 NKDAVNQJSALWSM-JQMNBGQOSA-N 249.398 4.726 30 1 BJEF C=C1C=C[C@H](C(C)C)CCC=C(C)CC1 2356444927 OJIGFVZZEVQUNV-OAHLLOKOSA-N 204.357 4.891 30 1 BJEF CCCCCCC[C@@H]1SC(=O)c2ccccc21 95556025 SHCBCAUJWKZULY-AWEZNQCLSA-N 248.391 4.975 30 1 BJEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CCC=C(C)C 100189823 PGBNIHXXFQBCPU-SOUVJXGZSA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C1CC[C@@H]2S[C@H]1[C@H]1[C@@H](C(C)C)CC[C@@]21C 14594344 HVLGGQYBXOJMLO-KHMAMNHCSA-N 236.424 4.509 30 1 BJEF endogenous,in-man C=C1CCC[C@]2(C)CCC(C(C)C)=C[C@H]12 59778373 ALUIZDJKPCNAGJ-HUUCEWRRSA-N 204.357 4.725 30 1 BJEF in-vitro C=C(C)[C@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2 62237776 DVBSKQAFCDJNSL-KFWWJZLASA-N 204.357 4.725 30 1 BJEF in-vitro C=C1CC/C=C(/C)CC[C@@H]2[C@@H]1[C@H](C)[C@H]2CC 59588736 ZFAPNVWTEQGQGL-AZFBHODMSA-N 218.384 4.971 30 1 BJEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@H]2CCC[C@H](C)[C@@]2(C)C1 210988144 SMYOUERMLYFSON-GBJTYRQASA-N 206.373 4.805 30 1 BJEF C=C(C)C1=C2C[C@H](C)CC[C@@H]2[C@@H](C)CC1 2356367550 BDGCRWMOCSWZSC-MBNYWOFBSA-N 204.357 4.725 30 1 BJEF C=C[C@]1(C)CC[C@H](C)[C@](C)(CCC=C(C)C)O1 2356636801 VQUJDMXSSYLYRV-XHSDSOJGSA-N 236.399 4.883 30 1 BJEF C=C1CC[C@@H]2[C@H](C2(C)C)[C@]2(C)[C@@H](C)CC[C@@H]12 2356485429 GLUNTGLRPJSTGN-ZHMBSYLPSA-N 218.384 4.661 30 1 BJEF C=C1[C@@H](C)[C@]2(C)C(C)=C(C)[C@@](C)(C2C)[C@@H]1C 2356467843 GXPHTJFKVOCWKQ-AFMWQOTRSA-N 218.384 4.827 30 1 BJEF C=C[C@]1(C)CCC[C@H](C(=C)C)[C@H]1C(=C)C 95912426 GJWVPRIGTFVAQW-RBSFLKMASA-N 204.357 4.747 30 1 BJEF biogenic,in-vitro CC1(C)CC(O)=C/C(=N/c2ccc(Cl)cc2)C1 102884381 PHCIIIULMQTHOX-VBKFSLOCSA-N 249.741 4.674 30 1 BJEF CC/C=C/C=C/C=C\C=C/CCCCCC=O 225159854 YUUBIYBMKPBDMR-BEGPLMEHSA-N 232.367 4.771 30 1 BJEF C=C1CC[C@]2([C@H](C)CCC=C(C)C)C[C@@H]12 100198934 DYUSFBWNOCHOFP-QLFBSQMISA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C1C=C[C@H](C(=C)C)CCC(C)=CCC1 2356730610 VPPSCJHEMMVYRU-HNNXBMFYSA-N 202.341 4.811 30 1 BJEF C=C[C@@]1(C)CC[C@H](C(=C)C)C[C@H]1C(=C)C 62237755 OPFTUNCRGUEPRZ-KKUMJFAQSA-N 204.357 4.747 30 1 BJEF endogenous,in-man C=CCCCC/C=C/C=C/C#C/C=C/C=C/C 85831829 QXLWCTMPQRBCAQ-KFAOCZDDSA-N 226.363 4.981 30 1 BJEF CCC=CC=CC=CCCCCCCC=O 2356643040 CXJVYJKPGDEGRZ-UHFFFAOYSA-N 220.356 4.605 30 1 BJEF C=C1CC[C@]2([C@@H](C)CCC=C(C)C)C[C@H]12 100778176 DYUSFBWNOCHOFP-RRFJBIMHSA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C1CC[C@@H]2S[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 104374546 HVLGGQYBXOJMLO-YYFQZIEXSA-N 236.424 4.509 30 1 BJEF in-man C=C1CCCC(C)(C)[C@@H]2C=C(C)CC[C@H]12 64624832 ZJSIKVDEOWWVEH-ZIAGYGMSSA-N 204.357 4.725 30 1 BJEF in-vitro C=C1CCC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C 2356424514 QQQOPBVPEDBXOA-KJWHEZOQSA-N 218.384 4.661 30 1 BJEF CCCCCCC[C@@H](O)CC[C@H](C)CCC 86052273 SVAGMMFIDBCZJL-HUUCEWRRSA-N 228.420 4.924 30 1 BJEF C=CCCCCC=CC=CC#CC=CC=CC 2356586242 QXLWCTMPQRBCAQ-UHFFFAOYSA-N 226.363 4.981 30 1 BJEF C=C[C@@](C)(CCC=C(C)C)c1ccc(O)cc1 14714520 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214.352 4.833 30 1 BJEF C=C(C)[C@@H]1CC[C@]2(C)CC=C[C@@H](C)[C@@H]2C1 2356452207 JCJDJCGSVODYTN-KBXIAJHMSA-N 204.357 4.581 30 1 BJEF C=C1CC=C(C)CCC[C@H]2[C@H]1CC2(C)C 2356470255 UNUJYATUCIYPLH-KBPBESRZSA-N 204.357 4.725 30 1 BJEF C=C(C)[C@H]1C=C2[C@@H](C)CC[C@@H]2[C@H](C)CC1 85598932 DUYRYUZIBGFLDD-XJFOESAGSA-N 204.357 4.581 30 1 BJEF in-vitro O=C(C1=C(c2ccccc2)CCC1)c1ccccc1 28524533 DFRVWUITGUDKFT-UHFFFAOYSA-N 248.325 4.507 30 1 BJEF CCCCCCC/C=C/CCCCCC(=O)O 136489158 IAGOGSZOIKMSGL-CMDGGOBGSA-N 240.387 4.938 30 1 BJEF CC(C)C1=C[C@]2(C#N)[C@@H](C)CCC[C@]2(C)CC1 2356801912 RTVUMYURHDMELK-IMJJTQAJSA-N 231.383 4.699 30 1 BJEF CC/C=C/C=C\C=C/CCCCCCCC=O 238787454 VGMSAVVRPQGWAO-SOGAIITOSA-N 234.383 4.995 30 1 BJEF C=C1CCC[C@]2(C)[C@]13CC[C@@H]1C(C)(C)C[C@@]123 2356518228 JTDDQVIWIAOYMN-DMRZNYOFSA-N 216.368 4.559 30 1 BJEF C=C1C=C2[C@H](C(C)C)CC[C@@H](C)[C@H]2CC1 95909787 RNDFUOKDULDZPR-HZSPNIEDSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C/C(=C/C=C/C(C)C)[C@H]1CC[C@](C)(C#N)CC1 101577770 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200.325 4.621 30 1 BJEF C=C1CCC[C@]1(C)[C@@]1(C)C=C(C)CCC1 59065751 NBVIQCAHBABXGQ-CABCVRRESA-N 204.357 4.869 30 1 BJEF in-vitro C=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@H]2C 70454997 YJNQXYUMOJIGBS-BPLDGKMQSA-N 206.373 4.805 30 1 BJEF biogenic,in-vitro C=C1C=C2CC[C@H](C(=C)C)C[C@]2(C)[C@@H](C)C1 2356369740 ZHZKVVITYBMLFH-OFQRWUPVSA-N 216.368 4.891 30 1 BJEF C=C1C=C[C@H](C(C)C)CC(=C)[C@H](C)C=CC1 2356604934 KWPZQZCXOIHYTB-ZBFHGGJFSA-N 216.368 4.913 30 1 BJEF C#Cc1cc2cccc3ccc4cccc1c4c32 73224464 MWCIWTVUVKVTQG-UHFFFAOYSA-N 226.278 4.565 30 1 BJEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@H](C)[C@@H]2C1 98208848 DJLBUNMUAZWONS-ZQDZILKHSA-N 206.373 4.805 30 1 BJEF in-vitro C=CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\CC 238740405 LDGKUWWYKXNMRB-WLXQLFJWSA-N 234.383 4.803 30 1 BJEF C=C1CC[C@H](C(C)(C)C)[C@@H]2C=C(C)CC[C@H]12 2356455249 LUBYGTIKTCHQJX-KFWWJZLASA-N 218.384 4.971 30 1 BJEF CC[C@H](C=NC(C)(C)C)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2356840507 MRWDZJBLVASXQP-CBBWQLFWSA-N 249.442 4.954 30 1 BJEF C=CC[C@H](Nc1ccc(Cl)cc1)c1ccoc1 29058325 YEGMMDVNUBJKDD-AWEZNQCLSA-N 247.725 4.662 30 1 BJEF C=CCCCCCC=CCC#CC#CCCC 2356654367 SNUOSFBMEJMULV-UHFFFAOYSA-N 228.379 4.876 30 1 BJEF CCCCCCCCC[C@@H]1CCC[C@H](C)N1C 86051767 LCMYZYVZXNMGFV-JKSUJKDBSA-N 239.447 5.000 30 1 BJEF C=C1CCC[C@@H](C)CC[C@@H]2[C@H]1CC2(C)C 114670148 FEPFBYIDQQERDD-KWCYVHTRSA-N 206.373 4.805 30 1 BJEF CC(C)=CCC[C@H](C)[C@]1(C)CCC(C)=CC1=O 2356687051 BQSSVHXJCDPXOQ-HOCLYGCPSA-N 234.383 4.684 30 1 BJEF C=CCC/C=C/C/C=C/CC/C=C/CCC(=O)O 33820315 PPFXXOXUWGSHRC-JULSWDIZSA-N 248.366 4.656 30 1 BJEF C=C(C)[C@H]1CC[C@H](C)[C@]12CC=C(C)CC2 59586738 DVBSKQAFCDJNSL-RRFJBIMHSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C1C=C(C)[C@@H]2[C@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 102945326 XHHIKHVPBSQUIJ-IXYNUQLISA-N 216.368 4.581 30 1 BJEF C=C(C)/C=C1/[C@@H](C)CC[C@H]2[C@@H](C)CC[C@@H]12 238770704 LOWXYGTWKXWTGY-KBJJDSDRSA-N 204.357 4.581 30 1 BJEF C=C1CCC[C@H](C)[C@@]1(C)CCc1ccoc1 14594058 VFZHDBFYTSLCHG-ZFWWWQNUSA-N 218.340 4.595 30 1 BJEF biogenic C=C1CC[C@@H]2[C@H](C2(C)C)[C@]2(C)[C@@H](C)CC[C@H]12 2356485428 GLUNTGLRPJSTGN-UTHRFFRBSA-N 218.384 4.661 30 1 BJEF C=C1C=C2CC[C@H]3CCC[C@]2([C@H]2[C@@H]1C2(C)C)[C@@H]3C 2356606609 WOWKIVUCXFPDAO-PDFKHUOFSA-N 242.406 4.971 30 1 BJEF CCCCCCCCCC/C=C/C(C)=O 49781090 OUSBBXGWDSZAHN-OUKQBFOZSA-N 210.361 4.662 30 1 BJEF C=C[C@@](C)(O)C[C@H](C)/C=C(\C)CCC=C(C)C 523042028 CHXJEFZZXGNAML-GSEJNISDSA-N 236.399 4.642 30 1 BJEF biogenic C=C1CC[C@]2(C)C[C@H]1[C@]1(C)CCC[C@@]12C 70455388 RTONMYLSQISFQA-APIJFGDWSA-N 204.357 4.559 30 1 BJEF biogenic,in-vitro C=C1CCC2=C(C)CC[C@H](C(C)C)[C@@H]2C1 2356504265 JBHJOURGKXURIW-HIFRSBDPSA-N 204.357 4.725 30 1 BJEF C=C1CCCC=C(C)CCC2=C[C@H]1CC2 2356586982 UTURGVPJEGEHFH-OAHLLOKOSA-N 202.341 4.789 30 1 BJEF C=C1C=C[C@@H](C(C)C)CC(=C)[C@@H](C)C=CC1 2356604932 KWPZQZCXOIHYTB-GOEBONIOSA-N 216.368 4.913 30 1 BJEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)C=C12 85756793 MBANDXQCQFFUAJ-DZGCQCFKSA-N 204.357 4.725 30 1 BJEF C=C1CCC=C(C)CC[C@@H]2[C@H](CC)[C@H](C)[C@@H]12 2356741283 ZFAPNVWTEQGQGL-ZJIFWQFVSA-N 218.384 4.971 30 1 BJEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(OC)[C@H]2C1 15209629 SGRUNWZTMUZTDU-UGUYLWEFSA-N 236.399 4.574 30 1 BJEF biogenic CCCCC#CCC#CCCCCCC 70454012 ANNOQCCFJMIPHQ-UHFFFAOYSA-N 204.357 4.544 30 1 BJEF biogenic,in-vitro C=C1C=C[C@@H](C(C)C)CC(=C)[C@H](C)C=CC1 2356604931 KWPZQZCXOIHYTB-GDBMZVCRSA-N 216.368 4.913 30 1 BJEF C=CCCCCC/C=C\C/C=C\C=C\[C@H](O)CC 238731630 AQUQHVOAVQKVSI-XBCMHJSQSA-N 248.410 4.953 30 1 BJEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C 42834626 WOBFHHHYXAFVKB-KCQAQPDRSA-N 206.373 4.805 30 1 BJEF C=C1CC[C@H]2C(=C)CC[C@@H](C(C)C)[C@H]2C1 85880241 NOLWRMQDWRAODO-SOUVJXGZSA-N 204.357 4.581 30 1 BJEF in-man CC=C(C)CCC[C@@H](O)CCCCCCC 2356687652 XAAVSUOCOJLKBW-HNNXBMFYSA-N 226.404 4.844 30 1 BJEF C=C(C)[C@@H]1C=C2[C@H](C)CCC[C@@]2(C)CC1 2356575436 MZWGOWHEHPSPES-IPYPFGDCSA-N 204.357 4.725 30 1 BJEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)C1CCCCC1 2356355341 DZDSYUDLAQUDGR-QEJZJMRPSA-N 204.357 4.559 30 1 BJEF C=C(C)[C@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@@H]12 201709138 HMTAHNDPLDKYJT-YJNKXOJESA-N 204.357 4.581 30 1 BJEF CCCCCCCCCCC=CCCC(=O)O 2356418708 STFWYFQCNSNCOA-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF C=C1CC[C@@](C)(C2=CC=C(C)CC2)[C@H]1C 85996024 GQLZYKHWIHXWPL-DZGCQCFKSA-N 202.341 4.645 30 1 BJEF CC(C)C1=C[C@@]2(CC[C@H](C)[C@H]2C#N)[C@@H](C)CC1 238770168 IPTOCKJELNOIDK-UGQVUOCMSA-N 231.383 4.555 30 1 BJEF C=C(CCC=C(C)C)c1ccc(C)cc1 70454579 YAZBKDRDYPAXAO-UHFFFAOYSA-N 200.325 4.755 30 1 BJEF biogenic,in-vitro C=C1/C=C/C[C@@H](C(C)C)CC/C(C)=C/C1 238782639 OVVBIIZBHVVFQY-NLXVAFRTSA-N 204.357 4.891 30 1 BJEF CCCCCCCCC/C=C/C=C(\C)C(=O)O 86052265 BQEKTCAKRBJCQL-LDHFCIDVSA-N 238.371 4.714 30 1 BJEF C=C1CC[C@H](C(C)C)C[C@@]12CCC[C@@H]2C 2356733809 YJNQXYUMOJIGBS-AEGPPILISA-N 206.373 4.805 30 1 BJEF CC/C=C\C#CCCCCCCCCCC=O 39076861 JZWLAADUVSGHNW-ARJAWSKDSA-N 234.383 4.666 30 1 BJEF C=C1CCC[C@@]2(C)CC[C@H](C(C)C)C[C@@H]12 212691236 IEICDHBPEPUHOB-KKUMJFAQSA-N 206.373 4.805 30 1 BJEF C=C1CCC[C@@]12C[C@H](C(C)C)CCC2=C 85731350 WKUVNTPZIMJKBY-HUUCEWRRSA-N 204.357 4.725 30 1 BJEF C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@H](C)CC2 100779495 ADIDQIZBYUABQK-XQQFMLRXSA-N 204.357 4.725 30 1 BJEF endogenous,in-man CC1=C[C@H]2[C@H](CC1)[C@@](C)(C#N)CC[C@@H]2C(C)C 1772646302 WQSYQKCAVSMQBM-LVQVYYBASA-N 231.383 4.555 30 1 BJEF C=C(C)[C@H]1CCC(C)=C2CC[C@H](C)[C@@H]2C1 85598971 YHAJBLWYOIUHHM-YDHLFZDLSA-N 204.357 4.725 30 1 BJEF endogenous,in-man CC(=O)/C=C/C1=C(C)CCC[C@@]1(C)CC(C)C 5964290 ZXSMELYOPOOCAX-FDMDGMSGSA-N 234.383 4.684 30 1 BJEF C=C[C@@]1(C)CC[C@@H](C(=C)C)C[C@@H]1C(=C)C 95098821 OPFTUNCRGUEPRZ-KFWWJZLASA-N 204.357 4.747 30 1 BJEF biogenic,in-vitro C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@@](C)(C#N)[C@H]12 2356333705 UZOKDTCVQZBQPP-JJXSEGSLSA-N 231.383 4.699 30 1 BJEF C=C1C[C@]2(C)CC[C@H](C)[C@H](C)[C@@]2(C)C1=C 2356435611 HWUPIPCEJJWJBV-LVGORTOPSA-N 204.357 4.581 30 1 BJEF CC(=CC=CC(C)C)C1CCC(C)(C#N)CC1 2356527494 CJKGYZTWQDYRJY-UHFFFAOYSA-N 231.383 4.865 30 1 BJEF CC=CC=CC#CC=CCCCCCC 2356393783 SUKKAWNKSSVFTG-UHFFFAOYSA-N 202.341 4.649 30 1 BJEF C=C1CC[C@H]2C(=C)CC[C@H](C(C)C)[C@@H]2C1 100782217 NOLWRMQDWRAODO-ILXRZTDVSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=C1CC=C(C)CCC[C@@H]2[C@H]1CC2(C)C 2356470257 UNUJYATUCIYPLH-UONOGXRCSA-N 204.357 4.725 30 1 BJEF C=C1C=C2[C@H](C(C)C)CC[C@H](C)[C@@H]2CC1 85600693 RNDFUOKDULDZPR-IHRRRGAJSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=C1CCC[C@]2(C)[C@H]3CC[C@]12CC3(C)C 100780711 BUDWHMNUSAOQBI-CFVMTHIKSA-N 204.357 4.559 30 1 BJEF endogenous,in-man C=C1C=C[C@@H](C(C)C)CC[C@H](C)C=CC1 2356602753 KVMPFZSAJWHCMX-HUUCEWRRSA-N 204.357 4.747 30 1 BJEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(OC)[C@H]2C1 15209632 SGRUNWZTMUZTDU-FXUDXRNXSA-N 236.399 4.574 30 1 BJEF biogenic C=C[C@]1(C)C=CC(=C(C)C)C[C@H]1C(=C)C 85664146 AXYSUALLGDLVIT-LSDHHAIUSA-N 202.341 4.667 30 1 BJEF C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CCC=C(C)C 967550 PGBNIHXXFQBCPU-QLFBSQMISA-N 204.357 4.725 30 1 BJEF CC#Cc1ccc2ccc3cccc4ccc1c2c34 169334102 UXRKWCWSGKXWRT-UHFFFAOYSA-N 240.305 4.955 30 1 BJEF C=CCCCC/C=C/C=C/C#C/C=C/C=C\C 238785405 QXLWCTMPQRBCAQ-LJAOONNFSA-N 226.363 4.981 30 1 BJEF C=C1CCC[C@@]2(C)[C@H]3CC[C@@]12CC3(C)C 86042029 BUDWHMNUSAOQBI-AEGPPILISA-N 204.357 4.559 30 1 BJEF endogenous,in-man CCCCCCCCCC=CCCC(=O)O 2356444655 CUVLOCDGQCUQSI-UHFFFAOYSA-N 226.360 4.548 30 1 BJEF C=C1C=C2CCC[C@@H]3CC=C[C@]4([C@@H]1C4(C)C)[C@]23C 2356769863 PJQHHUZJEWLKTR-HUHSQHJXSA-N 240.390 4.891 30 1 BJEF C[C@@H]1CC[C@@H]2O[C@@]2(C)CCCC(C)(C)CC1 2356439934 IMOQABUTVTUCRW-IPYPFGDCSA-N 224.388 4.551 30 1 BJEF C=C(C)[C@]1(C)C2C[C@@H]3C4CC5C[C@@H]3C1[C@@H](C5)[C@@H]4C2 102794264 LPSXYEZZVVMXGM-DLYXUJSLSA-N 242.406 4.517 30 1 BJEF C=CC(C)=CC[C@H]1C(=C)CC=CC1(C)C 2356805544 ZVWCRNJNTSLTAT-AWEZNQCLSA-N 202.341 4.667 30 1 BJEF C=C1CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1 85880230 COEMCKKNQLRLNH-KFWWJZLASA-N 204.357 4.581 30 1 BJEF endogenous,in-man CCCCCCC[C@H]1SC(=O)c2ccccc21 95556024 SHCBCAUJWKZULY-CQSZACIVSA-N 248.391 4.975 30 1 BJEF CCCCCCCCc1nc(C)c(CC)s1 95620568 KABDBXXFTIHONZ-UHFFFAOYSA-N 239.428 4.917 30 1 BJEF endogenous,in-man C=C(C)C1=C[C@]2(C)C(=CC1)CCC[C@H]2C 85725454 WHNNPKNATREGBK-DOMZBBRYSA-N 202.341 4.645 30 1 BJEF C=C(CCc1ccc(CC)cc1)c1ccccc1 85756632 KBHJQTJVPMQUMX-UHFFFAOYSA-N 236.358 4.895 30 1 BJEF CCCCCCCCC=CCCCCC(=O)O 2356756616 VQDOIVGYJXZOQY-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF CC[C@@H](C)c1ccc2[nH]c([C@@H](C)C#N)c(C)c2c1 587643110 RKUQCHDCASLPDG-MNOVXSKESA-N 240.350 4.617 30 1 BJEF C=C(C)[C@H]1C=CC2=CCC[C@H](C)[C@@]2(C)C1 238776988 DQPQHEZYSQLQOQ-KCQAQPDRSA-N 202.341 4.501 30 1 BJEF C=C1C=CC[C@@H](C(C)C)CCC(C)=CC1 2356427848 OVVBIIZBHVVFQY-OAHLLOKOSA-N 204.357 4.891 30 1 BJEF C=C1C=C2CC[C@H]3CCC[C@@]2([C@@H]3C)[C@@H]2[C@H]1C2(C)C 2356606610 WOWKIVUCXFPDAO-UHOVARLQSA-N 242.406 4.971 30 1 BJEF CCCC/C=C\CCC/C=C/C=C/CCC=O 59725550 FEMMLZBDOKRYQM-QABVOADDSA-N 234.383 4.995 30 1 BJEF CC[C@@H](C)c1ccc2[nH]c([C@H](C)C#N)c(C)c2c1 587643105 RKUQCHDCASLPDG-GHMZBOCLSA-N 240.350 4.617 30 1 BJEF C=C[C@](C)(O)C[C@H](C)C=C(C)CCC=C(C)C 2356290833 CHXJEFZZXGNAML-CVEARBPZSA-N 236.399 4.642 30 1 BJEF C=C1C=C[C@H](C(C)C)CC[C@@H](C)C=CC1 2356602752 KVMPFZSAJWHCMX-GJZGRUSLSA-N 204.357 4.747 30 1 BJEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)C[C@H]12 2356426739 IEICDHBPEPUHOB-RRFJBIMHSA-N 206.373 4.805 30 1 BJEF C=C1CC[C@]2(C)CCCC(C)(C)[C@]23C[C@@H]13 2356609191 RCGLTTGXVYELGT-AEGPPILISA-N 204.357 4.559 30 1 BJEF C=C1[C@H](C)[C@@]2(C)C(C)=C(C)[C@](C)([C@@H]2C)[C@@H]1C 238743353 GXPHTJFKVOCWKQ-SJDUDGTJSA-N 218.384 4.827 30 1 BJEF C=C(C)[C@@H]1C=C[C@]2(C)CCC[C@H](C)[C@@H]2C1 2356627099 VTGQKWZAEGHONH-XGUBFFRZSA-N 204.357 4.581 30 1 BJEF C=C1CC[C@@H](C(C)C)C[C@H]2C(C)=CC[C@H]12 85826908 NIQFISSIIRBIDP-KFWWJZLASA-N 204.357 4.581 30 1 BJEF C=C(C)[C@@H]1CCC(C)=C2CC[C@H](C)C[C@H]21 85880199 YYYXNMTVZFIDGU-WHOFXGATSA-N 204.357 4.725 30 1 BJEF C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@](C)(C#N)[C@@H]12 2356333704 UZOKDTCVQZBQPP-CAOSSQGBSA-N 231.383 4.699 30 1 BJEF C=C1CCC[C@@H](C)[C@@]1(C)CCc1ccoc1 14594057 VFZHDBFYTSLCHG-HIFRSBDPSA-N 218.340 4.595 30 1 BJEF biogenic C=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@H]2C1 104876366 YOVSPTNQHMDJAG-RRFJBIMHSA-N 204.357 4.725 30 1 BJEF C=C(C)[C@H]1CC[C@H](C)[C@@]12CC=C(C)CC2 62237779 DVBSKQAFCDJNSL-ZNMIVQPWSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C1CCC[C@@]2(C)CC=C(C(C)C)C[C@H]12 85756799 SBWAKCMRTBHWSI-CABCVRRESA-N 204.357 4.725 30 1 BJEF C=C1CCC[C@]2(C)[C@H]3CC[C@@]12CC3(C)C 100780709 BUDWHMNUSAOQBI-NWANDNLSSA-N 204.357 4.559 30 1 BJEF endogenous,in-man CC(C)[C@H]1CC[C@H](C)c2ccc(CS)cc21 59154206 HJGSRTVZUZIFMU-WCQYABFASA-N 234.408 4.753 30 1 BJEF CCCC/C=C/CCC/C=C/C=C/CCC=O 15274038 FEMMLZBDOKRYQM-ONVRLIGQSA-N 234.383 4.995 30 1 BJEF C=C1CC[C@@]23[C@H]([C@@H](C(C)C)CC[C@H]2C)[C@@]13C 2356450813 KCWNQQPGQDLQQV-QCODTGAPSA-N 218.384 4.661 30 1 BJEF CC(C)[C@]1(C#N)C=C2[C@H](C)CCC[C@]2(C)CC1 2356791540 IRQOZLLZRHAPAM-BMFZPTHFSA-N 231.383 4.699 30 1 BJEF C=CCCCCC[C@@H](O)C=CC=CCC=CCC 2356570145 XRQOZSDRIZPYNO-QGZVFWFLSA-N 248.410 4.953 30 1 BJEF C=C(C)[C@H]1CCC[C@@]2(C)C=CCC(=C)[C@H]12 85813071 KSQRZYSCIBVHIW-RBSFLKMASA-N 202.341 4.501 30 1 BJEF biogenic,in-vitro C=C[C@]1(C)CC[C@@]2(C)C(=C)[C@@H]1CC[C@@H]2C 86003978 UYQNCGFXZZVAAK-SPWCGHHHSA-N 204.357 4.581 30 1 BJEF CCCCCCCC=CCCCCCC(=O)O 2356408523 IAGOGSZOIKMSGL-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF C=C1C=C2[C@@H](CC1)[C@@H](C)CC[C@@H]2C(C)C 59268582 RNDFUOKDULDZPR-MJBXVCDLSA-N 204.357 4.581 30 1 BJEF endogenous,in-man C=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@H]12 100778181 DYUSFBWNOCHOFP-KFWWJZLASA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=CC/C=C\C/C=C/C/C=C\CCCCC(=O)O 169621929 OKBAWLHHZWRDBE-BKMIETEFSA-N 248.366 4.656 30 1 BJEF C=C1/C=C/C(=C(C)C)CC/C(C)=C/CC1 238739221 MAEHOUIVWGFBMO-YZJXYJLZSA-N 202.341 4.956 30 1 BJEF C=C1C=C2CCC[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356727213 KHYRRFYFERPMRS-DCDXPUDHSA-N 216.368 4.581 30 1 BJEF C=C[C@](C)(CCC=C(C)C)c1ccc(O)cc1 14714518 NKPZXOJBJDJHJA-MRXNPFEDSA-N 230.351 4.582 30 1 BJEF biogenic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biogenic,in-vitro C=N[C@](C)(C/C=C/C(C)C)[C@H]1CC=C(C)CC1 238773175 ARSVAWWOLPBRLX-BUWFCSEKSA-N 233.399 4.794 30 1 BJEF C=C1C[C@]2(C)CCCC(C)(C)[C@@]2(C)C1=C 2356512256 WMPBVFYHARBWTL-LSDHHAIUSA-N 204.357 4.725 30 1 BJEF C=C1C=C[C@H](C(C)C)CC(=C)C(=C)C=CC1 2356535110 WZFNHPHAMLEQAE-INIZCTEOSA-N 214.352 4.833 30 1 BJEF C=C1C=C[C@@H]2[C@@H](C)CCC(=C(C)C)[C@H]2C1 2356679177 IYQNJZNZDXORJP-NWANDNLSSA-N 202.341 4.501 30 1 BJEF C=C1CC[C@@H]2[C@@H](C2(C)C)[C@]2(C)[C@H](C)CC[C@H]12 238746770 GLUNTGLRPJSTGN-AQDIXCGQSA-N 218.384 4.661 30 1 BJEF C=C1/C=C/[C@@H](C(C)C)CC/C(C)=C\CC1 104882982 GAIBLDCXCZKKJE-LVVNOCGRSA-N 204.357 4.891 30 1 BJEF C=NC1=C(C(C)C)CC[C@@H](C)[C@]12C=C(C)CC2 2356405553 WYKJNBWZZHZGRM-CJNGLKHVSA-N 231.383 4.754 30 1 BJEF C=NC(=C(C)C)[C@@H]1CC[C@]2(C)CCCC(=C)[C@@H]12 2356484525 XUTBQTNSVJYADJ-YCPHGPKFSA-N 231.383 4.754 30 1 BJEF C=N[C@]1(C)CCC[C@]2(C)CCC[C@@H](C(=C)C)[C@H]21 2356524750 NBCQVYAMURKKGX-XUWVNRHRSA-N 233.399 4.628 30 1 BJEF C=CC/C(=C\CO)CC/C=C(\C)CCC=C(C)C 1553632 WGMDJBRJVNSTHV-IUBLYSDUSA-N 248.410 4.954 30 1 BJEF C=C[C@]1(C)CC[C@@H]2C(C)(C)C[C@@]21C(=C)C 86035307 UAOBSVDFJSNTLJ-BPLDGKMQSA-N 204.357 4.581 30 1 BJEF C=CCCCCC/C=C\CC#CC#C/C=C\C 111464733 OJWVHJFAQCYGMT-MTGPKORQSA-N 226.363 4.652 30 1 BJEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C=C12 85756792 MBANDXQCQFFUAJ-UKRRQHHQSA-N 204.357 4.725 30 1 BJEF C=C(C)CC=C1C(=C)[C@H]2C[C@@H]2CC1(C)C 2356329004 PHDRQUPMFWWDKK-CHWSQXEVSA-N 202.341 4.501 30 1 BJEF C=C[C@]1(C)CC[C@@H](C(C)C)C[C@@H]1C(=C)C 2356388166 VGLVBDNQOXVDTC-RBSFLKMASA-N 206.373 4.827 30 1 BJEF C/C=C(\C)CCC[C@@H](O)CCCCCCC 86052279 XAAVSUOCOJLKBW-JVDKPVQESA-N 226.404 4.844 30 1 BJEF C=C1C=C2CC[C@H](C(=C)C)C[C@]2(C)[C@H](C)C1 2356369739 ZHZKVVITYBMLFH-IJEWVQPXSA-N 216.368 4.891 30 1 BJEF C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2 85598977 ADIDQIZBYUABQK-AVGNSLFASA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C[C@](C)(O)C[C@@H](C)/C=C(\C)CCC=C(C)C 523042031 CHXJEFZZXGNAML-SROTWBRCSA-N 236.399 4.642 30 1 BJEF biogenic CCCCCCCCOc1noc2ccccc12 73166616 QFZXDEJEOQSSAC-UHFFFAOYSA-N 247.338 4.567 30 1 BJEF C=C1CC=C(C)CCC[C@@H]2[C@@H]1CC2(C)C 2356470258 UNUJYATUCIYPLH-ZIAGYGMSSA-N 204.357 4.725 30 1 BJEF C=C1CCC[C@@]2(C)CCC(C(C)C)=C[C@H]12 59778384 ALUIZDJKPCNAGJ-CABCVRRESA-N 204.357 4.725 30 1 BJEF in-vitro C=CCCCC[C@H]1O[C@@H]1CC=CCC=CCC 2356743899 LDGKUWWYKXNMRB-HZPDHXFCSA-N 234.383 4.803 30 1 BJEF C=C(C)C1=C2C[C@H](C)CC[C@H]2[C@@H](C)CC1 2356367549 BDGCRWMOCSWZSC-DYEKYZERSA-N 204.357 4.725 30 1 BJEF C=C1CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1 85880225 COEMCKKNQLRLNH-RBSFLKMASA-N 204.357 4.581 30 1 BJEF endogenous,in-man Cc1ccccc1-c1sc2ccccc2c1C#N 45353793 WDUYGMNMWJXCNM-UHFFFAOYSA-N 249.338 4.748 30 1 BJEF CCCCCCCCC[C@H](C)CCC(=O)O 102180820 IDXDUHBRWOLZLO-ZDUSSCGKSA-N 228.376 4.628 30 1 BJEF C=CCCCCC/C=C\CC#CC#C/C=C/C 95911869 OJWVHJFAQCYGMT-DQWOJMMFSA-N 226.363 4.652 30 1 BJEF biogenic,in-vitro CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C1CCCCC1)C2 1772651165 WBHQRHJXNRDNNM-LFUHAOHZSA-N 233.399 4.606 30 1 BJEF C=C1CC[C@H](C)c2c1c(O)c1occ(C)c1c2C 238743642 WKUCLCFOUJZBAT-QMMMGPOBSA-N 242.318 4.666 30 1 BJEF C=C(CCCC(C)C)c1ccc(C)cc1 85851400 OUOQVJYYZABQJT-UHFFFAOYSA-N 202.341 4.835 30 1 BJEF biogenic,in-vitro C=C1CCC(C(C)C)=C[C@H]2[C@@H](C)CC[C@@H]12 238762443 QCESRPKOTSPFAU-QEJZJMRPSA-N 204.357 4.581 30 1 BJEF C=C(C)[C@@H]1C=C[C@@H](C)CCC=C(C)CC1 2356651450 OAOGSSAAVUPEKA-GJZGRUSLSA-N 204.357 4.891 30 1 BJEF C=C[C@]1(C)Cc2occ(C)c2C(=C)[C@@H]1C(=C)C 2356363393 IUSQJOJQZUNLJG-JKSUJKDBSA-N 228.335 4.542 30 1 BJEF C=C1CCC[C@H](C(C)C)[C@@H]2C(=C)CC[C@H]12 2356621995 XXYZAUXDDZGORP-KFWWJZLASA-N 204.357 4.581 30 1 BJEF C=C/C(C)=C/C[C@H]1C(=C)CCCC1(C)C 85948132 IBRVHPJMXXNBAD-TZIYXEQSSA-N 204.357 4.891 30 1 BJEF C=C1CC[C@H](C(C)(C)C)[C@H]2C=C(C)CC[C@H]12 2356455248 LUBYGTIKTCHQJX-ILXRZTDVSA-N 218.384 4.971 30 1 BJEF C=N[C@@](C)(CC=CC(C)C)[C@@H]1CC=C(C)CC1 2356682920 ARSVAWWOLPBRLX-CVEARBPZSA-N 233.399 4.794 30 1 BJEF C=C1CCC[C@@]1(C)[C@]1(C)CC=C(C)CC1 85574351 YFLSTROSSKYYNK-HUUCEWRRSA-N 204.357 4.869 30 1 BJEF C=C(C)[C@H]1/C=C/[C@H](C)CC/C=C(\C)CC1 85799768 OAOGSSAAVUPEKA-QPDMSNBJSA-N 204.357 4.891 30 1 BJEF CC/C(=C\c1ccccc1C#N)c1ccc(C)cc1 1772623992 KDLCLTASCGHFMS-NTCAYCPXSA-N 247.341 4.817 30 1 BJEF C=C(C)CC=C1C(=C)[C@H]2C[C@H]2CC1(C)C 2356329006 PHDRQUPMFWWDKK-QWHCGFSZSA-N 202.341 4.501 30 1 BJEF C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CCC[C@H]2C 8437017 WEZDOYDDKIHCLM-QLFBSQMISA-N 204.357 4.725 30 1 BJEF in-vitro C=C1CCC=C(C)C[C@H]2CC(C)(C)C[C@@H]12 85741739 JRCVPJOABWZGQV-KBPBESRZSA-N 204.357 4.725 30 1 BJEF C=CC(=O)c1ccc(CCCCCCCC)cc1 43574773 GXBVBDUWTMDYAH-UHFFFAOYSA-N 244.378 4.958 30 1 BJEF in-vivo C=C1C=C[C@@H]2[C@H](C1)C(=C(C)C)CC[C@H]2C 238749942 IYQNJZNZDXORJP-VHDGCEQUSA-N 202.341 4.501 30 1 BJEF C=C1C=C[C@H]2[C@H](C1)C(=C(C)C)CC[C@H]2C 2356679175 IYQNJZNZDXORJP-BPLDGKMQSA-N 202.341 4.501 30 1 BJEF CC(=O)/C=C/C1=C(C)CCC[C@]1(C)CC(C)C 1661745 ZXSMELYOPOOCAX-ROJDOSBLSA-N 234.383 4.684 30 1 BJEF C=C1C=C[C@@H](C(=C)C)CCC(C)=CCC1 2356730611 VPPSCJHEMMVYRU-OAHLLOKOSA-N 202.341 4.811 30 1 BJEF C=C1C=C(C)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C 59778580 XHHIKHVPBSQUIJ-KNCOVGOOSA-N 216.368 4.581 30 1 BJEF in-vitro C=CC/C=C/C/C=C\C/C=C\CCCCC(=O)O 169621928 OKBAWLHHZWRDBE-IISVKSLHSA-N 248.366 4.656 30 1 BJEF C=N[C@]1(C)CC[C@H](/C(C)=C/C=C/C(C)C)CC1 238786141 NWRUYMBOCZOSHR-QGKUFRKNSA-N 233.399 4.794 30 1 BJEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@H](C)[C@@H]2C1 58638637 DJLBUNMUAZWONS-CBBWQLFWSA-N 206.373 4.805 30 1 BJEF in-vitro C/C=C/C(=O)[C@@H](CC)CCCCCCCC 85734233 YWCLNCPXAMMFQQ-CLUXPMKYSA-N 224.388 4.908 30 1 BJEF CCCCCCCCCC[C@H](C)OC(=O)CC 85659578 ZZBXLJWPNPBMOB-AWEZNQCLSA-N 242.403 4.859 30 1 BJEF CCCCCCCCCCC=CCC#N 2356528756 HEWPEBKRWNEZJD-UHFFFAOYSA-N 207.361 4.987 30 1 BJEF C=CCCCCC[C@H]1CCC[C@H](CCCC=C)N1 15272781 GNHYVGVLHWKRIP-IRXDYDNUSA-N 249.442 4.990 30 1 BJEF biogenic C/C=C\C=C\C=C\CCCCCCCCC=O 15274041 QXMRYABYXKUWCX-ZQCKCTFASA-N 234.383 4.995 30 1 BJEF C=C1[C@@]2(C)CCCC(C)(C)[C@@]13CC[C@@H]2C3 238744307 ZPUKHRHPJKNORC-BPLDGKMQSA-N 204.357 4.559 30 1 BJEF C=C1C=C[C@@H]2C(C)(C)CCC[C@]2(C)CC1 86003791 FBPKATILHPEQRC-UKRRQHHQSA-N 204.357 4.725 30 1 BJEF C=CCCCCC/C=C\C#CC#CCCCC 238735101 WPVVBNZMXAGZCP-ICFOKQHNSA-N 228.379 4.876 30 1 BJEF C=C(C)[C@@H]1CCC(=C)[C@@H]2CC[C@@H](C)C[C@@H]12 2356786384 APFZWZPVIZAYDS-UNQGMJICSA-N 204.357 4.581 30 1 BJEF C=C1CCC[C@H](C(C)C)[C@H]2C(=C)CC[C@H]12 2356621996 XXYZAUXDDZGORP-RBSFLKMASA-N 204.357 4.581 30 1 BJEF C=C(C)[C@H]1CC[C@@]2(C)CC=C[C@@H](C)[C@H]2C1 238743834 JCJDJCGSVODYTN-LXTVHRRPSA-N 204.357 4.581 30 1 BJEF CCCO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C 103215417 SEOGVJVYNBGYPK-RCHUVSAKSA-N 249.398 4.728 30 1 BJEF C=CCCCCCC=CC#CC#CCCCC 2356490091 WPVVBNZMXAGZCP-UHFFFAOYSA-N 228.379 4.876 30 1 BJEF C=C1CC/C=C(\C)CC[C@@H]2[C@H](C1)C2(C)C 238749541 IQEVIXMQOAWIDH-BLOBHPOZSA-N 204.357 4.725 30 1 BJEF C=C1CCC(=C(C)C)[C@@H]2C[C@H](C)CC[C@H]12 2356612246 ZSTGSCUNMHSEOB-DFBGVHRSSA-N 204.357 4.725 30 1 BJEF CC[C@@H](C)c1ccc2[nH]c(C(C)C)c(C#N)c2c1 587643576 VQKCFYAGVLVACE-LLVKDONJSA-N 240.350 4.676 30 1 BJEF C=C1CCCC(C)(C)[C@@H]1CCC(C=CO)=CO 2356765537 YLSYIYLKQUZZHO-CQSZACIVSA-N 236.355 4.663 30 1 BJEF C=C[C@]1(C)CC[C@]2(C)C(=C)[C@H]1CC[C@@H]2C 85493575 UYQNCGFXZZVAAK-MYPMTAMASA-N 204.357 4.581 30 1 BJEF biogenic,in-vitro C=C1CCC[C@]2(C)CCC(C(C)C)=C[C@@H]12 59778379 ALUIZDJKPCNAGJ-LSDHHAIUSA-N 204.357 4.725 30 1 BJEF in-vitro C=C1CCC[C@@]2(C)CC[C@H](C(C)C)C[C@H]12 238732557 IEICDHBPEPUHOB-ZNMIVQPWSA-N 206.373 4.805 30 1 BJEF C=C1CCCC(C)(C)[C@@H]1CCc1ccoc1 14638724 RYVVGLTVSWRFPW-CQSZACIVSA-N 218.340 4.595 30 1 BJEF biogenic C=CCCCCC=CC=CC#CC#CCCC 2356734103 RDNRJLZBXUHRHN-UHFFFAOYSA-N 226.363 4.652 30 1 BJEF C=CCCCC[C@H]1O[C@@H]1C/C=C/C/C=C\CC 238779439 LDGKUWWYKXNMRB-NGTSKZQESA-N 234.383 4.803 30 1 BJEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@@H]2[C@H]1C#N 2356487033 MKDBNCXLLZZPAL-GVRJEKJASA-N 231.383 4.555 30 1 BJEF C=C1C=C[C@H]([C@@H](C)CCC=C(C)C)CC1 30731483 PHWISBHSBNDZDX-GJZGRUSLSA-N 204.357 4.891 30 1 BJEF endogenous,in-man C=C(C)[C@@H]1CC[C@@H]2C=CC[C@@H](C)[C@@]2(C)C1 2356701084 TYRTXVSUGJUNBU-APIJFGDWSA-N 204.357 4.581 30 1 BJEF CCCCCCCCCCC=CC=CC(=O)O 2356285904 XXQINHWMBIXTGY-UHFFFAOYSA-N 238.371 4.714 30 1 BJEF C=C1CCC[C@@]2(C)[C@@]13CC[C@H]1C(C)(C)C[C@@]123 95913834 JTDDQVIWIAOYMN-ARLBYUKCSA-N 216.368 4.559 30 1 BJEF biogenic,in-vitro C=C(C)C1=C[C@H]2[C@H](C)CCC[C@@]2(C)CC1 136760741 GZTVOICLUQHEMR-SNPRPXQTSA-N 204.357 4.725 30 1 BJEF C=C1CC[C@H](C(C)C)C[C@]12CCC[C@@H]2C 2356733810 YJNQXYUMOJIGBS-QEJZJMRPSA-N 206.373 4.805 30 1 BJEF CCCCCCCCCCCCC=CC(=O)O 2356419855 HOGWBMWOBRRKCD-UHFFFAOYSA-N 240.387 4.938 30 1 BJEF C=C1CC[C@H](C(C)(C)C)[C@@H]2C=C(C)CC[C@@H]12 2356455251 LUBYGTIKTCHQJX-ZNMIVQPWSA-N 218.384 4.971 30 1 BJEF C=C1CCC(=C(C)C)[C@@H]2C[C@H](C)CC[C@@H]12 2356612247 ZSTGSCUNMHSEOB-UGFHNGPFSA-N 204.357 4.725 30 1 BJEF C=C[C@@](C)(O)C[C@@H](C)C=C(C)CCC=C(C)C 2356290836 CHXJEFZZXGNAML-JKSUJKDBSA-N 236.399 4.642 30 1 BJEF C=C1CC[C@@H]2S[C@H]1[C@H]1[C@@H](C(C)C)CC[C@]21C 14594346 HVLGGQYBXOJMLO-XLWJZTARSA-N 236.424 4.509 30 1 BJEF endogenous,in-man C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 967554 YOVSPTNQHMDJAG-ZNMIVQPWSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=C1CC[C@@H]2[C@H](C2(C)C)[C@@]2(C)[C@H]1CC[C@H]2C 2356485426 GLUNTGLRPJSTGN-JTTNIQEDSA-N 218.384 4.661 30 1 BJEF C=C1C=C2[C@@H](CC1)[C@@H](C)CCCC2(C)C 85867158 UPQOJPOSKCDZFM-STQMWFEESA-N 204.357 4.725 30 1 BJEF C=C1CCC[C@@]2(C)CCC(C(C)C)=C[C@@H]12 59778391 ALUIZDJKPCNAGJ-GJZGRUSLSA-N 204.357 4.725 30 1 BJEF in-vitro C=C(CCC)C1=C(C)Cc2cccc(C)c21 71789450 XAKLZPSAKHSBHU-UHFFFAOYSA-N 212.336 4.681 30 1 BJEF C=C1CCC[C@@]2(C)CC[C@H]3C(C)(C)C[C@@]132 86035217 LTMKWDWWHXRNMO-AEGPPILISA-N 204.357 4.559 30 1 BJEF in-man C/C=C\C=C\C=C/CC/C=C/C(O)=N/CC(C)C 15146193 SBXYHCVXUCYYJT-JRNWQWJGSA-N 247.382 4.624 30 1 BJEF endogenous,in-man C=C1CCCC(C)(C)[C@@H]2C=C(C)CC[C@@H]12 64624831 ZJSIKVDEOWWVEH-UONOGXRCSA-N 204.357 4.725 30 1 BJEF in-vitro C=CCCCCCC=CC=C[C@H](O)CC=CCC 2356674103 VGLGLCFUSXLBSJ-QGZVFWFLSA-N 248.410 4.953 30 1 BJEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C 100189818 PGBNIHXXFQBCPU-KKUMJFAQSA-N 204.357 4.725 30 1 BJEF endogenous,in-man C=C1CCCC(C)(C)[C@H]1CCC(C=CO)=CO 2356765536 YLSYIYLKQUZZHO-AWEZNQCLSA-N 236.355 4.663 30 1 BJEF CC[C@H](C)c1ccc2[nH]c([C@H](C)C#N)c(C)c2c1 587643112 RKUQCHDCASLPDG-WDEREUQCSA-N 240.350 4.617 30 1 BJEF C=C1CC[C@H]2C(=C)CCC[C@H](C(C)C)[C@H]12 2356621994 XXYZAUXDDZGORP-ILXRZTDVSA-N 204.357 4.581 30 1 BJEF CCCCCC/C=C\CCCC(=O)OC(C)C 85659603 FZKDUKQTAKMKBR-KTKRTIGZSA-N 240.387 4.635 30 1 BJEF C=C1CCC[C@H](C)CC[C@H]2[C@H]1CC2(C)C 2356523774 FEPFBYIDQQERDD-UBHSHLNASA-N 206.373 4.805 30 1 BJEF C=N[C@]1(C)CCC[C@]2(C)CCC[C@H](C(=C)C)[C@@H]21 2356524749 NBCQVYAMURKKGX-FXUDXRNXSA-N 233.399 4.628 30 1 BJEF C=CC[C@@H](Nc1ccc(C(C)(C)C)cc1)C1CC1 103208563 NYWCLJFUPYRAHB-MRXNPFEDSA-N 243.394 4.751 30 1 BJEF C=CCCCC[C@H]1O[C@H]1CC=CCC=CCC 2356743897 LDGKUWWYKXNMRB-CVEARBPZSA-N 234.383 4.803 30 1 BJEF C=C1CC[C@@]2(C)C[C@@H]1[C@@]1(C)CCC[C@@]21C 104889412 RTONMYLSQISFQA-XQLPTFJDSA-N 204.357 4.559 30 1 BJEF C=C1/C=C/[C@@H](C(C)C)CC/C(C)=C/CC1 59586407 GAIBLDCXCZKKJE-RGZOGPIRSA-N 204.357 4.891 30 1 BJEF biogenic,in-vitro CCCCCCC[C@@H]1CC[C@@H](CCCC)N1 14128141 FIXZYWKWWCBXRZ-HUUCEWRRSA-N 225.420 4.658 30 1 BJEF biogenic,in-vitro CCC/C=C\C(=O)c1coc2ccc(Cl)cc12 587275754 FMDPCIKWDZJBSY-PLNGDYQASA-N 248.709 4.625 30 1 BJEF CC[C@H](C)c1ccc2[nH]c(C(C)C)c(C#N)c2c1 587643577 VQKCFYAGVLVACE-NSHDSACASA-N 240.350 4.676 30 1 BJEF C=C1CCC[C@]2(C)[C@]13CC[C@H]1C(C)(C)C[C@@]123 2356518229 JTDDQVIWIAOYMN-DRPJVOAASA-N 216.368 4.559 30 1 BJEF CCC/C=C/C(=O)[C@H](CC)CCCCC 15204831 OSINZOMCCVVWFZ-RSKUSDAESA-N 210.361 4.518 30 1 BJEF C=CCCCC/C=C\C=C\C#C/C=C/C=C/C 238785403 QXLWCTMPQRBCAQ-FGXZSLIVSA-N 226.363 4.981 30 1 BJEF CCCCCCCC[C@H](C)C/C=C(\C)C(=O)O 90135937 GEHLKZFXBXCLPH-REQDGWNSSA-N 240.387 4.794 30 1 BJEF C=C[C@]1(C)CC[C@H](C)[C@@](C)(CCC=C(C)C)O1 238787322 VQUJDMXSSYLYRV-ARFHVFGLSA-N 236.399 4.883 30 1 BJEF C=C1C[C@]2(C)CC[C@H](C)[C@@H](C)[C@@]2(C)C1=C 2356435609 HWUPIPCEJJWJBV-FDEJFUCISA-N 204.357 4.581 30 1 BJEF C=C(C)C1=C2C[C@@H](C)CC[C@@H]2[C@@H](C)CC1 70455386 BDGCRWMOCSWZSC-SGMGOOAPSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C=CC[C@@H](Nc1ccc(C)cc1)c1ccsc1 29058080 FMYDOWQBDGLKMQ-OAHLLOKOSA-N 243.375 4.786 30 1 BJEF C=C1CC[C@H]2C(=C)CC[C@H](C(C)C)[C@H]2C1 85880245 NOLWRMQDWRAODO-QLFBSQMISA-N 204.357 4.581 30 1 BJEF in-man C=C(/C=C/CCCCCCC)CCCC(=O)O 1911573581 SPOAYCLWQFBLTG-PKNBQFBNSA-N 238.371 4.714 30 1 BJEF C=C1CCC(C(C)C)=C[C@@H]2[C@@H](C)CC[C@@H]12 59157787 QCESRPKOTSPFAU-AEGPPILISA-N 204.357 4.581 30 1 BJEF CCCO/N=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C 103215420 SEOGVJVYNBGYPK-CTNMLDGOSA-N 249.398 4.728 30 1 BJEF CCCCCCCCCC/C=C\CCC(=O)O 166988077 STFWYFQCNSNCOA-QXMHVHEDSA-N 240.387 4.938 30 1 BJEF CCCC[C@@H](C#N)c1ccc(C(F)(F)F)cc1 95873037 JFZLSJATUYOYEI-NSHDSACASA-N 241.256 4.503 30 1 BJEF CC/C=C\C=C/C=C\CCCCCCC=O 238789329 CXJVYJKPGDEGRZ-QMGPHSPGSA-N 220.356 4.605 30 1 BJEF C=CC(C)=CC[C@H]1C(=C)CCCC1(C)C 2356465142 IBRVHPJMXXNBAD-AWEZNQCLSA-N 204.357 4.891 30 1 BJEF CC/C=C\C=C/C=C\CCCCCCCC=O 238749378 VGMSAVVRPQGWAO-QMGPHSPGSA-N 234.383 4.995 30 1 BJEF C=C1C[C@@H]2CC[C@H]1[C@]2(C)CCC=C(C)C 238764425 XWQLUVQFUZQPDY-RRFJBIMHSA-N 204.357 4.725 30 1 BJEF C=C1CC[C@@H](C(C)C)[C@H]2CC(C)=CC[C@@H]12 85880205 YOCDGWMCBBMMGJ-SOUVJXGZSA-N 204.357 4.581 30 1 BJEF C=C1C=C2CCC[C@@H]3CC=C[C@]4([C@H]1C4(C)C)[C@]23C 2356769864 PJQHHUZJEWLKTR-LFVTVUPYSA-N 240.390 4.891 30 1 BJEF C=C1CC[C@H]([C@@]2(C)CCCC2(C)C)C=C1O 59778367 QBPYGYSTALYKTI-SWLSCSKDSA-N 220.356 4.611 30 1 BJEF C=CCC=CCC=CCC=CCCCCC(=O)O 2356534705 OKBAWLHHZWRDBE-UHFFFAOYSA-N 248.366 4.656 30 1 BJEF C=C1CCC=C(C)C[C@@H]2CC(C)(C)C[C@H]12 59778807 JRCVPJOABWZGQV-ZIAGYGMSSA-N 204.357 4.725 30 1 BJEF CC(C)=CCCC(C)=CCC[C@@H]1OC1(C)C 2356342929 GDZKVFAAHPZNAI-AWEZNQCLSA-N 222.372 4.637 30 1 BJEF C=C1C=C(C)[C@@H]2[C@H]3[C@H]1[C@@]2(C)CCCC3(C)C 102945328 XHHIKHVPBSQUIJ-DSJMHWKBSA-N 216.368 4.581 30 1 BJEF C=C1CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13 238763738 RCGLTTGXVYELGT-QEJZJMRPSA-N 204.357 4.559 30 1 BJEF C=C1C=C2CCC[C@H](C)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356727212 KHYRRFYFERPMRS-AEIGPULVSA-N 216.368 4.581 30 1 BJEF C=C(C)[C@]1(C)C2C[C@H]3C4CC5C[C@@H]3C1[C@@H](C5)[C@@H]4C2 102794268 LPSXYEZZVVMXGM-NUTYAWCVSA-N 242.406 4.517 30 1 BJEF C=C1C=C2[C@@H](C(C)C)CC[C@H](C)[C@H]2CC1 85644661 RNDFUOKDULDZPR-BFHYXJOUSA-N 204.357 4.581 30 1 BJEF biogenic,in-vitro CCCCCCC=CCCCCC(C)=O 2356571688 ZFQMGOCRWDJUCX-UHFFFAOYSA-N 210.361 4.662 30 1 BJEF C=C1CCCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 69482518 PMMLIVYPEUJENN-ZIAGYGMSSA-N 204.357 4.725 30 1 BJEF biogenic,in-vitro C/C=C\C#CC#C/C=C\C=C\CCCCCC 238762241 KJZIXCGHDVCNHL-KIQJGOAVSA-N 226.363 4.652 30 1 BJEF C=CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C/CC 238779432 LDGKUWWYKXNMRB-IYZJVGMOSA-N 234.383 4.803 30 1 BJEF C=C1C=C(C)[C@H]2[C@@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 96095117 XHHIKHVPBSQUIJ-ORIJERBGSA-N 216.368 4.581 30 1 BJEF in-vitro CCCCC=CCCCC=CC=CCCC=O 2356416750 FEMMLZBDOKRYQM-UHFFFAOYSA-N 234.383 4.995 30 1 BJEF C=C1C=C[C@@H]2[C@@H](C)CCC(=C(C)C)[C@@H]2C1 2356679176 IYQNJZNZDXORJP-CFVMTHIKSA-N 202.341 4.501 30 1 BJEF C=C1C=C2CCC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C 59589051 KHYRRFYFERPMRS-ZGMNHVEMSA-N 216.368 4.581 30 1 BJEF biogenic,in-vitro CCCCCCC[C@@H]1CC[C@H](CCCC)N1 83922084 FIXZYWKWWCBXRZ-LSDHHAIUSA-N 225.420 4.658 30 1 BJEF in-vitro C=C1CCC[C@@]1(C)[C@@]1(C)C=C(C)CCC1 59065748 NBVIQCAHBABXGQ-HUUCEWRRSA-N 204.357 4.869 30 1 BJEF in-vitro C=C1C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1 85648165 ZHZKVVITYBMLFH-FMKPAKJESA-N 216.368 4.891 30 1 BJEF biogenic,in-vitro C=CCCCCC/C=C/CC#CC#C/C=C\C 85831877 OJWVHJFAQCYGMT-LPMQCFACSA-N 226.363 4.652 30 1 BJEF endogenous,in-man CCCCCCCCNC(=O)SCCCC 1618957 USVQWVUNYYEPHU-UHFFFAOYSA-N 245.432 4.590 30 1 BJEF C/C=C/C#CC#C/C=C/C=C/CCCCCC 238730645 KJZIXCGHDVCNHL-PBLBXTOHSA-N 226.363 4.652 30 1 BJEF C=C1/C=C/[C@H](C(C)C)CC/C=C(\C)CC1 238766206 OJIGFVZZEVQUNV-VVBHUWMKSA-N 204.357 4.891 30 1 BJEF C=C1CC[C@@H]2S[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@]21C 104374550 HVLGGQYBXOJMLO-CAEXGNQWSA-N 236.424 4.509 30 1 BJEF in-man CCCCCCC=CCCCCCC#N 2356326622 XOOFGZMOXVWJBD-UHFFFAOYSA-N 207.361 4.987 30 1 BJEF C=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1 59778400 YOVSPTNQHMDJAG-SOUVJXGZSA-N 204.357 4.725 30 1 BJEF endogenous,in-man CCCC/C=C\CCC/C=C/CCCC=O 195791941 QVECBYWMAHQYNQ-GWZUCBFCSA-N 222.372 4.829 30 1 BJEF C=C1C=C[C@H](C(C)C)CC=C(C)CCC1 2356668256 JMOYCSMEBMEYRX-HNNXBMFYSA-N 204.357 4.891 30 1 BJEF C=C1CC[C@@](C)(C2=CCC(C)=CC2)[C@H]1C 85996028 TWRALMCYJKWSET-DZGCQCFKSA-N 202.341 4.645 30 1 BJEF CC/C=C/C/C=C/C/C=C/CCCCCC=O 15274039 USMAGXMGZXKLHT-IUQGRGSQSA-N 234.383 4.995 30 1 BJEF biogenic,in-vitro CC(C)C1=C[C@]2(C#N)[C@H](C)CCC[C@]2(C)CC1 2356801910 RTVUMYURHDMELK-BMFZPTHFSA-N 231.383 4.699 30 1 BJEF C=C(C)CCC[C@@H](C)c1ccc(C)cc1 85851410 BVFXTXVUDRHULL-CQSZACIVSA-N 202.341 4.845 30 1 BJEF C=NC(=C(C)C)[C@@H]1CC[C@]2(C)CCCC(=C)[C@H]12 2356484523 XUTBQTNSVJYADJ-FMKPAKJESA-N 231.383 4.754 30 1 BJEF C=C[C@]1(C)CC[C@@H](C)[C@](C)(CCC=C(C)C)O1 2356636800 VQUJDMXSSYLYRV-OAGGEKHMSA-N 236.399 4.883 30 1 BJEF