smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C1=C/CCCCCCCCCCCC/1 111347552 CTRVMZJBEVWFHM-OWOJBTEDSA-N 194.362 5.237 0 10 AKAE CC[C@@H](C)CCCCC[C@H](C)CC 111333626 HHEVJJIJTUVLTQ-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CC(C)=C(C)CCC[C@@H](C)CC(C)C 718749015 RUXOKVDYAYISJU-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE CC(C)CCCC(C)CCCC(C)C 2572492 RMDGVETXJWRSGT-UHFFFAOYSA-N 198.394 5.275 0 10 AKAE CCCCCC[C@@H](C)C[C@@H](C)CC 111333728 YSUJWFQMTUVXNQ-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE CCCC[C@H](C)CCC(C)(C)CC 140863154 RPWJFKHUYQVXBW-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CC(C)=C(C)CC[C@@H](C)[C@@H](C)C(C)C 1888937701 QROTYOOIVHLXPR-KGLIPLIRSA-N 196.378 5.051 0 10 AKAE CCCC[C@@H](C)C[C@H](C)CCCC 111333744 AMMTZOCUKBWLJL-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CCCCCC[C@H](C)CCC(C)C 96095586 HGYKYVHHAJFANS-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE in-vitro CCC[C@H](C)CCCC[C@H](C)CC 90416358 WOGVWUCXENBLIV-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE in-vitro CCC[C@H](CC)CCC1=CCCCC1 1893797711 MXYZQJAHVSPJHY-ZDUSSCGKSA-N 194.362 5.093 0 10 AKAE CCC[C@H](C)CCCCCC(C)C 111333577 HBILMYFNYGGWLO-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE CCC(C)=CCCC1(C)CCCCC1 1888066025 NIIVRCMXOHGGFY-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCC/C=C\CC/C=C/CCCC 139956129 QPGLLZJMHJDJDQ-DSOJMZEYSA-N 194.362 5.259 0 10 AKAE CCCCCC(C)(C)CCCCC 96334112 ZFOODCBUKSMZBZ-UHFFFAOYSA-N 184.367 5.173 0 10 AKAE CCCC[C@H]1CCCC[C@H]1CCCC 104369712 ZVJGQCRBIFNMAD-OKILXGFUSA-N 196.378 5.173 0 10 AKAE CCCC[C@@H](CCC)CCC(C)C 70454257 CABCROIGBFQLHZ-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE biogenic,in-vitro CCC[C@@H](C)CCCC[C@@H](C)CC 90416355 WOGVWUCXENBLIV-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE in-vitro C/C=C/CCCCCC1CCCCC1 1885372496 IBTHMYVJMYCNPD-NSCUHMNNSA-N 194.362 5.093 0 10 AKAE C=C/C1=C/CCCCCCCCCC1 113157018 FUJQSNBYXCNHEW-OWBHPGMISA-N 192.346 5.013 0 10 AKAE CC(C)=C(C)CCCCCC(C)(C)C 718750196 UPSDVXIUPPEQLT-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CC(C)CCCCCCC(C)(C)C 85972327 OFKVGIOPPPBWSB-UHFFFAOYSA-N 184.367 5.029 0 10 AKAE endogenous,in-man CCCCC[C@H](C)C[C@@H](C)CCC 96334116 YXHLCYIRSXOVHP-STQMWFEESA-N 184.367 5.029 0 10 AKAE in-vitro CC=CCCCC[C@@H](C)CC(C)(C)C 1885371623 CGLSTNCVJPPKDC-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE C/C=C/CCCC[C@@H](CC)CCCC 163038932 PNWIDYDSNLQMTL-GBXSZLQWSA-N 196.378 5.339 0 10 AKAE CCCCCC[C@H](C)CC(C)(C)C 78275012 ZWJKFSZYIOCMGF-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE endogenous,in-man CCCCC[C@@H](C)[C@H](C)CCCC 96334293 YAQUQAWUOHDAOP-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE C/C=C/CCCCCCCCC(C)C 1885360101 ZZNPHDDPGOIYQW-SNAWJCMRSA-N 196.378 5.339 0 10 AKAE CCCCC[C@@](C)(CC)CCCC 96334108 METKCQZZZVWWCD-ZDUSSCGKSA-N 184.367 5.173 0 10 AKAE CCCCC[C@H](C)[C@H](C)CCCC 96334294 YAQUQAWUOHDAOP-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE CCCCCCC(C)(C)CCCC 111333708 YQNMYOJSMPRRMP-UHFFFAOYSA-N 184.367 5.173 0 10 AKAE CC(C)=C(C)CC[C@H](C)CCC(C)C 1928725546 XIQUYHUYVMUPKI-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE CCC[C@@H](CC)CCCC(C)=C(C)C 1893815209 WFQKZADMNQBRMJ-CQSZACIVSA-N 196.378 5.339 0 10 AKAE C/C=C/CCCC[C@H](CC)CCCC 163038848 PNWIDYDSNLQMTL-BTKRWWFXSA-N 196.378 5.339 0 10 AKAE CCCC[C@H](CC)CCCC(C)C 111367886 URCFDWVAWCRKTQ-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE C/C=C/CCCCC1(C)CCCCC1 1885359978 AIZQJMHBSSBCRY-ONEGZZNKSA-N 194.362 5.093 0 10 AKAE CCC[C@@H](C)CCCC1=CCCCC1 1889693620 PLXHNCRRGDVDFO-CYBMUJFWSA-N 194.362 5.093 0 10 AKAE CCC[C@@H](C)CCC[C@H](C)CCC 111333637 IQSHRQKBIQNFHO-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CCCCC1CCC(CCCC)CC1 90416728 KMYGGPNJMODCTH-UHFFFAOYSA-N 196.378 5.173 0 10 AKAE CC(C)=C(C)CCC[C@@H](C)C(C)(C)C 718692720 OSJMKZMLBCDRNR-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE CC=CCCCC1=CCCCCCC1 1885350425 HHBGOKSYSBRMRV-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCCC[C@H](CC)CCCC=C(C)C 226117262 KCCRCVFWATVJCV-AWEZNQCLSA-N 196.378 5.339 0 10 AKAE CCCC[C@@H](C)CCC[C@@H](C)CC 88366884 QQWXDSCYXKZATG-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE C=CCCCCC[C@H](CC)CCCC 117487786 QUHZHYSKODDZSZ-CQSZACIVSA-N 196.378 5.339 0 10 AKAE CCCC[C@@H](C)CC[C@H](C)CCC 96334083 IEVWHTVOIZEXCC-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CC(C)=CCCCC1CCCCCC1 1888299031 SZWGDHKLILGSDL-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC1(C)CCCCCCC(C)(C)CC1 111332705 FTJLDAFUIYCCRB-UHFFFAOYSA-N 196.378 5.173 0 10 AKAE C1=C\CCCCCCCCCCCC/1 111347551 CTRVMZJBEVWFHM-UPHRSURJSA-N 194.362 5.237 0 10 AKAE CCCCC[C@@H](CCC)CCCC 96334104 OYGXFRZNLCWGOZ-ZDUSSCGKSA-N 184.367 5.173 0 10 AKAE C=C/C=C\CCC[C@@H](CC)CCCC 713740676 VRFZINOCYMZPED-LEJCZOIISA-N 194.362 5.115 0 10 AKAE CCCCCC1CCC(CCC)CC1 78095036 MIMPJWFVIIZSSW-UHFFFAOYSA-N 196.378 5.173 0 10 AKAE CCCC[C@@H](CC)CCCC(C)C 111367884 URCFDWVAWCRKTQ-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE CCC[C@H](C)CCCC1=CCCCC1 1889693621 PLXHNCRRGDVDFO-ZDUSSCGKSA-N 194.362 5.093 0 10 AKAE CCCC[C@@H](CCC)[C@@H](C)CCC 140216734 XSMMHKQHDCOSCO-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE CCC(CC)CCCC1=CCCCC1 1887777015 KYNLIGDROKXZAG-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC=CCCCCCCCCC(C)C 1885365140 ZZNPHDDPGOIYQW-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CC(C)=C(C)CCC[C@H](C)C(C)(C)C 718692723 OSJMKZMLBCDRNR-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CC(C)=C(C)CCC[C@H](C)CC(C)C 718749017 RUXOKVDYAYISJU-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CC=CCCCC[C@H](CC)CCCC 1885359085 PNWIDYDSNLQMTL-CQSZACIVSA-N 196.378 5.339 0 10 AKAE CCC[C@H](CC)CCCC(C)=C(C)C 1893815208 WFQKZADMNQBRMJ-AWEZNQCLSA-N 196.378 5.339 0 10 AKAE CC(C)=CCCCC(C(C)C)C(C)C 1887922827 YJKXLPHZVHMNAH-UHFFFAOYSA-N 196.378 5.051 0 10 AKAE CC(C)=C(C)CC[C@H](C)[C@@H](C)C(C)C 1888937700 QROTYOOIVHLXPR-KBPBESRZSA-N 196.378 5.051 0 10 AKAE CCCCCC[C@@H](C)C[C@H](C)CC 81201467 YSUJWFQMTUVXNQ-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CCCCC[C@H](C)C[C@H](C)CCC 96334120 YXHLCYIRSXOVHP-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE in-vitro CC(C)=C(C)CCCC(C)(C)C(C)C 713298739 YXVQCOCSKYQAQY-UHFFFAOYSA-N 196.378 5.195 0 10 AKAE CCC[C@@H](C)CCCCC(C)(C)C 111367939 WABCXPNFLLYYCV-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CCCC/C=C\CC/C=C\CCCC 104373069 QPGLLZJMHJDJDQ-HWAYABPNSA-N 194.362 5.259 0 10 AKAE CCCCC[C@@H]1CCC[C@@H]1CCCC 140766756 JLDFHYBDWJVRAO-UONOGXRCSA-N 196.378 5.173 0 10 AKAE CCCC[C@H](CCC)[C@@H](C)CCC 140216842 XSMMHKQHDCOSCO-STQMWFEESA-N 184.367 5.029 0 10 AKAE CC[C@@H](C)CC=C(C)CCCC(C)C 1887864339 NUWMPBZHNOBZSA-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE CC(=CCCC(C)C)CCCC(C)C 1888069509 AHKNALZUDCOVDX-UHFFFAOYSA-N 196.378 5.195 0 10 AKAE CC(C)=C(C)CC[C@@H](C)[C@H](C)C(C)C 1888937703 QROTYOOIVHLXPR-ZIAGYGMSSA-N 196.378 5.051 0 10 AKAE CCCCC[C@H](C)[C@@H](C)CCCC 96334290 YAQUQAWUOHDAOP-STQMWFEESA-N 184.367 5.029 0 10 AKAE CC=C(C)CC=C(C)CCCC(C)C 1888065179 AGFAIDKQTCHFPO-UHFFFAOYSA-N 194.362 5.115 0 10 AKAE CCCC[C@H](C)CC[C@@H](C)CCC 96334081 IEVWHTVOIZEXCC-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCCC[C@H](CC)CCC=C(C)CC 1888069929 HLLAYKTZRPDDRZ-AWEZNQCLSA-N 196.378 5.339 0 10 AKAE CCCCC(C)(CCC)CCCC 140868281 MIDLKLFOPVFCQK-UHFFFAOYSA-N 184.367 5.173 0 10 AKAE CCCC[C@H](C)C[C@@H](C)CCCC 111333741 AMMTZOCUKBWLJL-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCC[C@@H](C)CCCCCC(C)C 111333575 HBILMYFNYGGWLO-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE CCC(C)=CCCC1CCCCCC1 1888298242 LVJPITCDWUWAIC-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC[C@H](C)CCCCCC(C)(C)C 85972323 ZXPYELGEJQYCMG-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE endogenous,in-man CCCCCC=C(C)CCCC(C)C 1888065752 JAVBCYGZWCDXPF-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE C=CCCCCC[C@@H](CC)CCCC 117487790 QUHZHYSKODDZSZ-AWEZNQCLSA-N 196.378 5.339 0 10 AKAE C/C=C/CCCC[C@@H](C)CC(C)(C)C 1885360648 CGLSTNCVJPPKDC-KTRBRXNASA-N 196.378 5.195 0 10 AKAE C=C/C=C/CCC[C@@H](CC)CCCC 713740674 VRFZINOCYMZPED-KGXGESDWSA-N 194.362 5.115 0 10 AKAE CCCC[C@H]1CCCC[C@@H]1CCCC 2507863 ZVJGQCRBIFNMAD-KBPBESRZSA-N 196.378 5.173 0 10 AKAE CC=CCCCCC1(C)CCCCC1 1885375256 AIZQJMHBSSBCRY-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCC(CCCC)CCCC 1716103 YXSQPZMAIVSYDV-UHFFFAOYSA-N 184.367 5.173 0 10 AKAE CCC(C)=CCC[C@H](C)CC(C)(C)C 1888066415 UINLDVORPWJAML-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CC(C)CCCCCC1=CCCCC1 1889680939 MOQZDPMAZAQSEB-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC[C@@H](C)CCCCCCC(C)C 96334075 XDLHYYXVEXQVGL-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE CC=CCCC[C@@H](C)CCCC(C)C 1888060474 FWQWJYKYMGHHKP-CQSZACIVSA-N 196.378 5.195 0 10 AKAE CC[C@H](C)CCCCC(C)(C)CC 111367988 IWDBBRKPCLWIKU-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CC[C@@H](C)CCCCC(C)(C)CC 111367985 IWDBBRKPCLWIKU-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CC[C@H](C)CC=C(C)CCCC(C)C 1887864340 NUWMPBZHNOBZSA-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CCCC[C@H](CCC)[C@H](C)CCC 140217130 XSMMHKQHDCOSCO-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE CC(C)CCCCCCC1=CCCC1 401075697 LKUOPAHJJDPLTN-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC[C@H](C)CCCCC1=CCCCC1 1889679328 BYCJELHBJONKOU-ZDUSSCGKSA-N 194.362 5.093 0 10 AKAE CCCCCC[C@@H](C)[C@H](C)CCC 111333722 MYUGNKWRNJTZRU-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CCCCC[C@@H](C)C[C@@H](C)CCC 96334114 YXHLCYIRSXOVHP-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE in-vitro CCCCC[C@@H](C)C1CCCCCC1 206976102 UTAKCYSMRMUMPB-CYBMUJFWSA-N 196.378 5.173 0 10 AKAE CC(C)=C(C)CCC1CCCCCC1 718751368 ZEDVYMKRAVFZRQ-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCC(C)=CCC[C@@H](C)CC(C)(C)C 1888066414 UINLDVORPWJAML-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE CC=CCCCC[C@@H](CC)CCCC 1885359084 PNWIDYDSNLQMTL-AWEZNQCLSA-N 196.378 5.339 0 10 AKAE CCCC[C@@H](CC)CCCC=C(C)C 226117249 KCCRCVFWATVJCV-CQSZACIVSA-N 196.378 5.339 0 10 AKAE CC(C)=CCCCCCCCC(C)C 698003766 MFXLQZPRVNKFEA-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CCCC[C@H](CC)CCC1=CCCC1 401149547 JCDFZMNIELRASD-ZDUSSCGKSA-N 194.362 5.093 0 10 AKAE CCCC[C@@H](CCC)[C@H](C)CCC 140216983 XSMMHKQHDCOSCO-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE C/C=C/CCCCC(C(C)C)C(C)C 1887874806 BINKMLBWBCWZOH-VOTSOKGWSA-N 196.378 5.051 0 10 AKAE CCCC[C@H](CCC)CCC(C)C 111959710 CABCROIGBFQLHZ-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE CCCCCC[C@@H](C)[C@@H](C)CCC 111333718 MYUGNKWRNJTZRU-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE CCCCCC[C@H](C)[C@@H](C)CCC 111333721 MYUGNKWRNJTZRU-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCCC/C=C/CC/C=C/CCCC 96794558 QPGLLZJMHJDJDQ-WGDLNXRISA-N 194.362 5.259 0 10 AKAE CCCC[C@@H](C)CCC(C)(C)CC 140862973 RPWJFKHUYQVXBW-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CC=CCCCCCC1CCCCC1 1885358357 IBTHMYVJMYCNPD-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCCC[C@H](CC)CCCC 96334230 MKHPXJRMKJYYON-CYBMUJFWSA-N 184.367 5.173 0 10 AKAE CCC[C@H](C)CCC[C@@H](C)CCC 111333634 IQSHRQKBIQNFHO-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCC(C)=CCCCC1CCCCC1 1887883380 RYZQXTZLACMCLY-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCC[C@](C)(CC)CCCC 96334110 METKCQZZZVWWCD-CYBMUJFWSA-N 184.367 5.173 0 10 AKAE CC[C@@H](C)CCCCCC(C)(C)C 85972319 ZXPYELGEJQYCMG-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE endogenous,in-man CCCC[C@H](C)CCCCC(C)C 96334073 NJKQJSHBTXTWME-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE in-vitro CC(C)=C(C)CCCC1CCCCC1 718748971 ROTCDKJLYDXQQY-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCC[C@@H](C)CCCC[C@H](C)CC 90416357 WOGVWUCXENBLIV-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE in-vitro CCC(C)(C)CCCCC(C)=C(C)C 718695951 BQWOCNUFQCOUAD-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CCCC[C@H](C)CC[C@H](C)CCC 96334085 IEVWHTVOIZEXCC-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE CCCCC/C=C(\C)CCCCC 96336304 NKLPGEJPQKIXSP-OUKQBFOZSA-N 182.351 5.093 0 10 AKAE C=C/C=C/CCCCCCCC(C)C 713654647 GHGLTRZJNUHPJT-AATRIKPKSA-N 194.362 5.115 0 10 AKAE CCC(C)=CCC1=CCCCCCC1 1887877766 NMUMIMLWECOPSF-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CC[C@H](C)CCCCC[C@H](C)CC 111333621 HHEVJJIJTUVLTQ-BETUJISGSA-N 184.367 5.029 0 10 AKAE C[C@H]1CCCCCCCCCC1(C)C 140114676 HMFAVPQMBDCNQH-ZDUSSCGKSA-N 196.378 5.173 0 10 AKAE CCCCC[C@H](C)CC[C@@H](C)CC 70454510 WLUQEGDKTQZXBV-STQMWFEESA-N 184.367 5.029 0 10 AKAE biogenic,in-vitro CC(C)=C(C)CCCC1=CCCCC1 1889609759 MNUHNVURVMPGTO-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCCCCC[C@@H](C)CCC(C)C 96095585 HGYKYVHHAJFANS-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE in-vitro C[C@@H]1CCCCCCCCCC1(C)C 140114525 HMFAVPQMBDCNQH-CYBMUJFWSA-N 196.378 5.173 0 10 AKAE CCCCC[C@@H]1CCC[C@H]1CCCC 140767088 JLDFHYBDWJVRAO-ZIAGYGMSSA-N 196.378 5.173 0 10 AKAE CC(=CCC(C)(C)C)CCCC(C)C 1888066141 PDBDCBVVHWEKHI-UHFFFAOYSA-N 196.378 5.195 0 10 AKAE CC=CCCCC[C@H](C)CC(C)(C)C 1885371624 CGLSTNCVJPPKDC-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CCC(CC)CCCCC(C)=C(C)C 1887771445 JAYDJPSSYFJSEK-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CC=CCCC[C@H](C)CCCC(C)C 1888060473 FWQWJYKYMGHHKP-AWEZNQCLSA-N 196.378 5.195 0 10 AKAE CC[C@H](C)CCCCCCC(C)C 96334077 XDLHYYXVEXQVGL-ZDUSSCGKSA-N 184.367 5.029 0 10 AKAE CC=C(CC)CCCC1=CCCCC1 1889693476 NVKBNVXLYUALQQ-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCC(C)(C)CCCC1=CCCCC1 2241441275 AQJXYOYPLFJDEL-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCC[C@H](C)CCC(C)(C)C 140251036 NLDSDMXCMOWSBR-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CC[C@@H](C)CCCCC1=CCCCC1 1889679327 BYCJELHBJONKOU-CYBMUJFWSA-N 194.362 5.093 0 10 AKAE CC(C)=C(C)CC[C@H](C)[C@H](C)C(C)C 1888937702 QROTYOOIVHLXPR-UONOGXRCSA-N 196.378 5.051 0 10 AKAE CCCCC[C@H]1CCC[C@@H]1CCCC 140766942 JLDFHYBDWJVRAO-KBPBESRZSA-N 196.378 5.173 0 10 AKAE CCCCCC[C@@H](C)C1CCCCC1 82152363 IRKYBYIUHWZQGP-CYBMUJFWSA-N 196.378 5.173 0 10 AKAE CCCCCC[C@H](C)C[C@H](C)CC 111333733 YSUJWFQMTUVXNQ-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE C=CC1=CCCCCCCCCCC1 256415736 FUJQSNBYXCNHEW-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE C/C=C/CCCC[C@H](C)CC(C)(C)C 1885360649 CGLSTNCVJPPKDC-YBJDMEARSA-N 196.378 5.195 0 10 AKAE CCCC[C@@H](C)CCCC(C)(C)C 140251228 GHVQJGOEZGHZJM-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CC(C)=C(C)CCC=C1CCCCC1 1884595427 KQOJXHUZNSWPNI-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCC[C@H](C)CCCC[C@@H](C)CC 90416356 WOGVWUCXENBLIV-STQMWFEESA-N 184.367 5.029 0 10 AKAE in-vitro C=C/C=C\CCCCCCCC(C)C 713654648 GHGLTRZJNUHPJT-WAYWQWQTSA-N 194.362 5.115 0 10 AKAE CCCCC[C@H](C)CC(C)(C)CC 140862785 KEUUKKADRWTLKH-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CCC[C@H](C)CCC[C@H](C)CCC 111333631 IQSHRQKBIQNFHO-BETUJISGSA-N 184.367 5.029 0 10 AKAE CCCCC[C@H](CCC)CCCC 96334106 OYGXFRZNLCWGOZ-CYBMUJFWSA-N 184.367 5.173 0 10 AKAE CCCC[C@@H](C)CCCCC(C)C 96334071 NJKQJSHBTXTWME-CYBMUJFWSA-N 184.367 5.029 0 10 AKAE in-vitro CCCC[C@@H]1CCCC[C@H]1CCCC 104369717 ZVJGQCRBIFNMAD-ZIAGYGMSSA-N 196.378 5.173 0 10 AKAE CCC[C@H](C)CCCCC(C)(C)C 111367941 WABCXPNFLLYYCV-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CCCCC[C@@H](C)C[C@H](C)CCC 96334118 YXHLCYIRSXOVHP-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE in-vitro CCCCC[C@@H](C)CCC(C)(C)C 140250913 NLDSDMXCMOWSBR-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CCCCCC(CC)CCCCC 111333700 UYLXFWBCWBLQEZ-UHFFFAOYSA-N 184.367 5.173 0 10 AKAE CCCCCC[C@H](C)[C@H](C)CCC 111333725 MYUGNKWRNJTZRU-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE C/C=C/CCCCC1CCCCCC1 1888231475 QFDACCSESVDADV-NSCUHMNNSA-N 194.362 5.093 0 10 AKAE CCCCC[C@H](C)C1CCCCCC1 206976142 UTAKCYSMRMUMPB-ZDUSSCGKSA-N 196.378 5.173 0 10 AKAE CCCC[C@H](C)C[C@H](C)CCCC 111333740 AMMTZOCUKBWLJL-BETUJISGSA-N 184.367 5.029 0 10 AKAE C=C/C=C\CCC[C@H](CC)CCCC 713740673 VRFZINOCYMZPED-IUCKJTJTSA-N 194.362 5.115 0 10 AKAE C=C/C=C/CCC[C@H](CC)CCCC 713740677 VRFZINOCYMZPED-RCQQVGEISA-N 194.362 5.115 0 10 AKAE CC(C)=C(C)CC[C@@H](C)CCC(C)C 1928725547 XIQUYHUYVMUPKI-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CCCCC(C)(C)CCCC(C)C 101770501 NZNSYLJOHCLJIF-UHFFFAOYSA-N 184.367 5.029 0 10 AKAE CCCC[C@H](C)CCCC(C)(C)C 140251389 GHVQJGOEZGHZJM-LBPRGKRZSA-N 184.367 5.029 0 10 AKAE CCCC[C@H]1CC[C@H](CCCC)CC1 585669714 KMYGGPNJMODCTH-HDJSIYSDSA-N 196.378 5.173 0 10 AKAE CC(C)=CCCCCC1CCCCC1 698072360 LYSSYSPFBXCSLT-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCC[C@@H](C)CC(C)(C)CC 140862599 KEUUKKADRWTLKH-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE CCCC[C@H](C)CCC[C@H](C)CC 88366887 QQWXDSCYXKZATG-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE CC(C)=C(C)CCC1=CCCCCC1 718751214 YGAVLOXYEADKOB-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCCCCC[C@@H](C)CC(C)(C)C 78275009 ZWJKFSZYIOCMGF-GFCCVEGCSA-N 184.367 5.029 0 10 AKAE endogenous,in-man CCC[C@@H](CC)CCC1=CCCCC1 1893797710 MXYZQJAHVSPJHY-CYBMUJFWSA-N 194.362 5.093 0 10 AKAE CCCCC[C@@H](C)CC[C@@H](C)CC 80732364 WLUQEGDKTQZXBV-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE in-vitro CCCCC[C@H](C)CC[C@H](C)CC 80732380 WLUQEGDKTQZXBV-OLZOCXBDSA-N 184.367 5.029 0 10 AKAE in-vitro CC(C)(C)CCCCC1=CCCCC1 2241443923 OAFRNICLSHQFKX-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC[C@H](C)CCCCC[C@@H](C)CC 111333623 HHEVJJIJTUVLTQ-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCCC[C@@H](C)CC[C@@H](C)CCC 96334079 IEVWHTVOIZEXCC-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE CC(C)=CCCC1=CCCCCCC1 698075254 ZYUBBWWSWLWWHO-UHFFFAOYSA-N 192.346 5.013 0 10 AKAE CCCCC[C@@H](C)[C@@H](C)CCCC 96334288 YAQUQAWUOHDAOP-QWHCGFSZSA-N 184.367 5.029 0 10 AKAE CCC(C)=CCCC(C(C)C)C(C)C 1888065548 GTNLSSABARSETE-UHFFFAOYSA-N 196.378 5.051 0 10 AKAE CCCC[C@H](C)CCC[C@@H](C)CC 88366885 QQWXDSCYXKZATG-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCCC(CCC)C1CCC(C)CC1 95828798 WISGLPCQEILZDG-UHFFFAOYSA-N 196.378 5.029 0 10 AKAE C/C=C/CCCC1=CCCCCCC1 1885350424 HHBGOKSYSBRMRV-LBDUPDRXSA-N 192.346 5.013 0 10 AKAE CCCC(C)(C)CCCCC(C)C 199512674 MMNMSFKIDFVSAF-UHFFFAOYSA-N 184.367 5.029 0 10 AKAE CCCCC[C@H]1CCC[C@H]1CCCC 140767286 JLDFHYBDWJVRAO-KGLIPLIRSA-N 196.378 5.173 0 10 AKAE CCCC[C@@H](CC)CCC=C(C)CC 1888069930 HLLAYKTZRPDDRZ-CQSZACIVSA-N 196.378 5.339 0 10 AKAE CCCCC(CCCC)CC(C)C 59588004 RCOXMOQVMZTXOO-UHFFFAOYSA-N 184.367 5.029 0 10 AKAE biogenic,in-vitro CCC(C)=CCCCCCCC(C)C 1888066612 XJDPHDAYDDQWOQ-UHFFFAOYSA-N 196.378 5.339 0 10 AKAE CCCCCC[C@H](C)C1CCCCC1 1697629 IRKYBYIUHWZQGP-ZDUSSCGKSA-N 196.378 5.173 0 10 AKAE C1=CCCCCCCCCCCCC1 256086494 CTRVMZJBEVWFHM-UHFFFAOYSA-N 194.362 5.237 0 10 AKAE CC(C)=CCC=C(C)CCCC(C)C 1888066062 OAICIJKYMONJMQ-UHFFFAOYSA-N 194.362 5.115 0 10 AKAE CCCCC[C@H]1CC[C@H](CCC)CC1 585669722 MIMPJWFVIIZSSW-HDJSIYSDSA-N 196.378 5.173 0 10 AKAE CC(C)CCCCCCCC(C)C 111333580 AZUSLLNYWXCPIZ-UHFFFAOYSA-N 184.367 5.029 0 10 AKAE CCCCCC(C)(C)CCCC(C)C 104531175 OYABKNGMWPWHHW-UHFFFAOYSA-N 198.394 5.419 0 10 AKAE CCCCCC[C@H](C)C[C@@H](C)CC 111333731 YSUJWFQMTUVXNQ-STQMWFEESA-N 184.367 5.029 0 10 AKAE CCCC[C@@H](C)CCC[C@H](C)CC 88366886 QQWXDSCYXKZATG-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE CCCCCC[C@@H](CC)CCCC 96334228 MKHPXJRMKJYYON-ZDUSSCGKSA-N 184.367 5.173 0 10 AKAE CC(C)=CCCC[C@H](C)CC(C)(C)C 703899340 VDELPBRNMWYDHL-ZDUSSCGKSA-N 196.378 5.195 0 10 AKAE CC=CCCCCC(C(C)C)C(C)C 1887874805 BINKMLBWBCWZOH-UHFFFAOYSA-N 196.378 5.051 0 10 AKAE CCCC[C@@H](CC)CCC1=CCCC1 401149546 JCDFZMNIELRASD-CYBMUJFWSA-N 194.362 5.093 0 10 AKAE CC(C)=C(C)CCCCC1CCCC1 718745932 DOCILUDBJXRLLP-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC(C)C1CCCCCCCCCC1 140242941 DSQLTULVAKZANQ-UHFFFAOYSA-N 196.378 5.173 0 10 AKAE CC(C)=C(C)CCCC1(C)CCCC1 718747264 KIUBGNFOGLSZST-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CC=CCCCCC1CCCCCC1 1888298728 QFDACCSESVDADV-UHFFFAOYSA-N 194.362 5.093 0 10 AKAE CCCCC[C@@H](C)CC[C@H](C)CC 80732373 WLUQEGDKTQZXBV-CHWSQXEVSA-N 184.367 5.029 0 10 AKAE in-vitro CC(C)=CCCC[C@@H](C)CC(C)(C)C 703899319 VDELPBRNMWYDHL-CYBMUJFWSA-N 196.378 5.195 0 10 AKAE