smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCC[C@H](CCO)CCCCCC 136628048 WGDHJACBNBATDD-QGZVFWFLSA-N 256.474 5.706 30 30 CKEC CCCCCCCCOC(=O)[C@@H](CC)CCCC 103824607 LGCQCKHJCZIRTE-HNNXBMFYSA-N 256.430 5.107 30 30 CKEC C(=N/C1CCCCCCCCCCC1)\c1ccco1 96733 BCHHRZPBNNOVIJ-OBGWFSINSA-N 261.409 5.372 30 30 CKEC CCCCCCCCCCCCC1CCC(O)CC1 111392398 QAFWWSONPIVCJW-UHFFFAOYSA-N 268.485 5.849 30 30 CKEC CCCCCCCCCCCCC[C@H](C)OC[C@H]1CO1 111905173 GHJFPZKLWAMOSP-ROUUACIJSA-N 284.484 5.491 30 30 CKEC CCCCCCCCCCCOC(=O)CCCCCCC 111874789 MRXRZUAPYOLFFW-UHFFFAOYSA-N 298.511 6.421 30 30 CKEC CSc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1 104836 OOJZBVKFHUWRKU-DTQAZKPQSA-N 294.419 5.011 30 30 CKEC CC(=NOCc1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 309736769 HAHCRHHAOGMQGR-ROUUACIJSA-N 299.801 5.036 30 30 CKEC C=C(C)/C=C/C[C@H](C)CCC[C@H](C)CCC[C@H](C)CC 199929079 HPXTYQIQNKBSIK-LZUBRRHXSA-N 278.524 7.168 30 30 CKEC CCCCCCCCCCCCCC(=O)OC[C@@H](C)CC 111900244 FRHCPJSPAUFBEH-SFHVURJKSA-N 298.511 6.277 30 30 CKEC CCCCCCCC[C@H](CCCCCCC)N(C)C 100116864 MIKNUMIDJALAPY-SFHVURJKSA-N 269.517 6.028 30 30 CKEC CCCCCCCCC[C@@H](CC)COC(=O)CC 111902613 SMKJYIUVCPXQHB-OAHLLOKOSA-N 256.430 5.107 30 30 CKEC CCCCCCCCCC[C@](C)(O)CCCCCC 111365223 URPZOYYKCIBTAD-GOSISDBHSA-N 270.501 6.239 30 30 CKEC CCCCCC/C=C\C=C/CCCCCCCCN 148859141 WGZHUGXNTWGQEN-QRLRYFCNSA-N 265.485 5.759 30 30 CKEC c1ccc2c(c1)ccc1c3ccccc3c([C@H]3CO3)cc21 1844760 IXNJEDIJJZHXAI-HXUWFJFHSA-N 270.331 5.218 30 30 CKEC CCCCCCCCCCCCCCOC(=O)CC 102291579 YRZGMTHQPGNLEK-UHFFFAOYSA-N 270.457 5.641 30 30 CKEC CCCCC#CCCCCCCCCCCCCCC 85663762 ZPJDHJXVUOPHKD-UHFFFAOYSA-N 278.524 7.271 30 30 CKEC endogenous,in-man CCCCCCCCC/C=N/c1ccccc1C(=O)OC 103624295 IKRROOGGEXPVSO-XDJHFCHBSA-N 289.419 5.316 30 30 CKEC C/C(=N\[C@H]1C[C@H](/N=C(\C)C(C)(C)C)CC[C@H]1C)C(C)(C)C 33611046 KKAPTDXXXZADDX-JMYCXXMVSA-N 292.511 5.558 30 30 CKEC C/C(=C\c1cccs1)C(=O)c1c(C)c(C)c(C)c(C)c1C 4344511 XLPLWJKGLDZTMW-ZHACJKMWSA-N 298.451 5.576 30 30 CKEC CCCCCCCC[N+](C)(C)C[C@H](CC)CCCC 111905541 YKZSMJHWONIGCF-GOSISDBHSA-N 270.525 5.640 30 30 CKEC CCCCCCCC/C(CCCC)=C1/CCOC1=O 238790344 LSQIIGOVHCYYQB-NXVVXOECSA-N 266.425 5.171 30 30 CKEC CCCCCCCCCCCOC(=O)[C@@H](CC)CCCC 2265356019 IFQJILFIUBVCBM-SFHVURJKSA-N 298.511 6.277 30 30 CKEC CCCCCCCCCCC/C=C\CCCCCC(=O)O 96023471 MBSJMRUSWQBXNI-SEYXRHQNSA-N 296.495 6.499 30 30 CKEC CCCCCCCCCCCCCCC(=O)OC(C)C 100305067 KPHRUIGNOVAUSA-UHFFFAOYSA-N 284.484 6.029 30 30 CKEC CCCCCCCCCCC(=O)OC[C@H](CC)CCCC 137628199 BPFKJEWHKGGRCF-GOSISDBHSA-N 298.511 6.277 30 30 CKEC Cc1ccc(S/C=C/C(=O)c2ccc(Cl)cc2)cc1 174002 ZNHXKIIWSRMNHA-ZHACJKMWSA-N 288.799 5.137 30 30 CKEC C=C(C)C(=O)OC[C@H](C)CCCCCCCCCC 111903738 DIUOAZFIHVLGKZ-MRXNPFEDSA-N 268.441 5.273 30 30 CKEC c1ccc2c(c1)ccc1c3ccccc3c([C@@H]3CO3)cc21 1844762 IXNJEDIJJZHXAI-FQEVSTJZSA-N 270.331 5.218 30 30 CKEC CSc1scc(-c2cccc(C(F)(F)F)c2)c1C#N 125069 IYHPSDHQMFEXRE-UHFFFAOYSA-N 299.342 5.027 30 30 CKEC CCCCCCC[C@@H]1CC[C@@H]2C[C@@H](C(=O)O)CC[C@H]2C1 256111527 RNZXOWSAIKLDFO-TWMKSMIVSA-N 280.452 5.264 30 30 CKEC CCCCCCCCCCCCCCCCCCCC#N 85663682 BYCIKRXQXRFYED-UHFFFAOYSA-N 293.539 7.552 30 30 CKEC CC/C(C)=N/C[C@@]1(C)C[C@H](/N=C(\C)CC)CC(C)(C)C1 137275611 SSGRRJUJHKUYOX-SXGBANMQSA-N 278.484 5.313 30 30 CKEC C=C(C)C(=O)OC[C@@H](C)CCCCCCCCCC 111903740 DIUOAZFIHVLGKZ-INIZCTEOSA-N 268.441 5.273 30 30 CKEC CCCCCCCCN(CCCC)CCCCCCCC 100064500 RCIGOSUMVYRJEC-UHFFFAOYSA-N 297.571 6.810 30 30 CKEC CCCCCCCCCC(=O)OCCCCCC 95618219 DGPNTCACXCHFDI-UHFFFAOYSA-N 256.430 5.251 30 30 CKEC endogenous,in-man CCCCCCCCCCCCCCC[C@H]1O[C@@H]1C(=O)O 78203374 PXNTUSQLBMEDQF-SJORKVTESA-N 298.467 5.320 30 30 CKEC CCCCCCCC/C=C\CCCCCCOC(C)=O 59725338 QVXFGVVYTKZLJN-KHPPLWFESA-N 282.468 5.807 30 30 CKEC CCCCCCCC/C(CCCC)=C1\CCOC1=O 223671598 LSQIIGOVHCYYQB-FOCLMDBBSA-N 266.425 5.171 30 30 CKEC CCC#CCCCCCCCCCCO[C@H]1CCCCO1 5767920 QPBHDSXBIQFNFW-LJQANCHMSA-N 294.479 5.454 30 30 CKEC CCCCCCCCCCCCc1ccc([N+]#N)cc1 100303989 XOJXAFUMRPHLIB-UHFFFAOYSA-N 273.444 6.635 30 30 CKEC CCCCCCCCCCCCCCn1ccnc1 43300604 TZMGRMKTZVQDMX-UHFFFAOYSA-N 264.457 5.584 30 30 CKEC C=CCCC1CCC([C@H]2CC[C@H](CCCCC)CC2)CC1 299803264 DTEWNONTMBAKOI-ZHRYYDEUSA-N 290.535 7.146 30 30 CKEC CCCCCCCCCCOC(=O)C1CCCCC1 103824740 MOZHOBFQUILDKL-UHFFFAOYSA-N 268.441 5.251 30 30 CKEC CCCCCCCCCCC[C@H](O)CCCCCCCC 112948937 ONNSSMGRFLULCC-HXUWFJFHSA-N 298.555 7.019 30 30 CKEC CC(C)(C)c1ccc(/N=C\c2c[nH]c3ccccc23)cc1 238790235 XKYLOTXMVCRWQP-NDENLUEZSA-N 276.383 5.216 30 30 CKEC C=CCC[C@H]1CC[C@H](C2CCC(CCC)CC2)CC1 299803216 BBHWTQNDTMKZNA-ASUHFHQRSA-N 262.481 6.366 30 30 CKEC CCCCCCCCCCCCCCOC(=O)/C=C(/C)N 103831741 CYQRNPRRACEWDZ-MSUUIHNZSA-N 297.483 5.093 30 30 CKEC CCCCCCCCCCCCCC[C@@H](O)CC 85831819 RPXAJGVDKFLODX-KRWDZBQOSA-N 256.474 5.849 30 30 CKEC C=CC(=O)OC[C@H](C)CCCCCCCCCCC 111900164 UDPCWAFIJHHTNI-MRXNPFEDSA-N 268.441 5.273 30 30 CKEC C/C(=N\[C@H]1CCC[C@H](/N=C(\C)C(C)(C)C)C1C)C(C)(C)C 33611064 VRZMKKMBVSGAJO-OXGSBQLJSA-N 292.511 5.558 30 30 CKEC C/C(=N\[C@H]1CCC[C@@H](/N=C(\C)C(C)(C)C)[C@@H]1C)C(C)(C)C 267330358 VRZMKKMBVSGAJO-RFUYIEFBSA-N 292.511 5.558 30 30 CKEC C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCC 137233238 FPXCJLDGCPZYBW-ASWIMHQSSA-N 286.503 7.318 30 30 CKEC CCCCCCCC[C@@H](CCCCCCC)N(C)C 100116862 MIKNUMIDJALAPY-GOSISDBHSA-N 269.517 6.028 30 30 CKEC CCCCCCCCCCCCCCCCC[C@@H]1CO1 100307661 CEUXMUYHMURJFZ-LJQANCHMSA-N 282.512 6.647 30 30 CKEC CCCCCCCCCCCCCCOCCC#N 100310621 NSEZEILPAFNORQ-UHFFFAOYSA-N 267.457 5.618 30 30 CKEC C=CC[N+]1(CC[C@@H](C)CCCC(C)C)CCCCC1 5759016 NTHCPJMKRGXODE-SFHVURJKSA-N 266.493 5.026 30 30 CKEC in-vitro CCCCCCCC[C@@H](C=O)Cc1ccc(C(C)C)cc1 111903889 OITFAOHCTDPSPO-LJQANCHMSA-N 288.475 5.918 30 30 CKEC CCCCCCCCCCCCCCC/C=C/CO 51943883 NMNAESABLXLQEY-WUKNDPDISA-N 268.485 6.016 30 30 CKEC CCCCCC/C=C\CCC(=O)CCCCCCCCC 43061653 HVUBXNQWXJBVHB-SQFISAMPSA-N 294.523 7.003 30 30 CKEC in-vitro CCCCCCCCCCCCCOCCC#N 100310755 QNXKSVYXNGTPLX-UHFFFAOYSA-N 253.430 5.228 30 30 CKEC CCCCCCCCCC(=O)OCCCCCC(C)C 103832610 JCVISYMLIJSRBE-UHFFFAOYSA-N 284.484 5.887 30 30 CKEC CCCCCCCCCCCCCCCOCCCN 100310364 FELNCSXBNJPZGU-UHFFFAOYSA-N 285.516 5.443 30 30 CKEC CCCC/C=C\CCC#CCCCCCCOC(C)=O 33953454 APXMIZDFQAAIJF-SREVYHEPSA-N 278.436 5.030 30 30 CKEC CC(=NOCc1ccccc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 4042266 HAHCRHHAOGMQGR-QZTJIDSGSA-N 299.801 5.036 30 30 CKEC CCCCCCCCC#CCCCCCCCCC 79274890 MEFQREHYTRZXMH-UHFFFAOYSA-N 264.497 6.881 30 30 CKEC CCCCCCCCCCCCCCCCC[C@H]1CO1 100307665 CEUXMUYHMURJFZ-IBGZPJMESA-N 282.512 6.647 30 30 CKEC CCCCCCCCCCCCCCC[C@@H]1O[C@H]1C(=O)O 100120643 PXNTUSQLBMEDQF-DLBZAZTESA-N 298.467 5.320 30 30 CKEC CC(C)Sc1scc(-c2ccc(Cl)cc2)c1C#N 2148566 YHVQHEVTUSURFH-UHFFFAOYSA-N 293.844 5.441 30 30 CKEC CCCCCCC[N+](CCCC)(CCCC)CCCC 59171120 AQQOUVLRCMEMHI-UHFFFAOYSA-N 284.552 6.174 30 30 CKEC CCCCCCCCOC(=O)CCCCCC(C)C 103832413 YPMOZWCBANATQH-UHFFFAOYSA-N 270.457 5.497 30 30 CKEC C=CCCCCCCCCCCCCCCCCCCC 85599382 JTOGFHAZQVDOAO-UHFFFAOYSA-N 294.567 8.214 30 30 CKEC C=CC(=O)OC[C@@H](C)CCCCCCCCCCCC 111900170 UHSGJVXENOKVTE-KRWDZBQOSA-N 282.468 5.663 30 30 CKEC CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 70455164 KKSIGOUTTVXAKQ-UHFFFAOYSA-N 299.458 5.601 30 30 CKEC endogenous,in-man Fc1ccc(/N=C/c2c(F)cccc2Cl)cc1Cl 166406 LPSFSKRBFDOKBQ-CNHKJKLMSA-N 286.108 5.022 30 30 CKEC CCCCCCCCOC(=O)CCCCC(C)C 103832374 MPKKALFKYJGSJW-UHFFFAOYSA-N 256.430 5.107 30 30 CKEC CC/C=C\CCOC(=O)CCCCCCCCC 111898335 APSRJAGZYONPLL-VURMDHGXSA-N 254.414 5.027 30 30 CKEC CCCCCCCCCCCC[C@H]1CCCC/C1=N/O 100399362 XXZXXNOZICSHDP-NSURYPBFSA-N 281.484 6.318 30 30 CKEC CCCCCCCCCCCCCCCOC[C@@H]1CO1 78239650 SNALIOQALXUVIF-GOSISDBHSA-N 284.484 5.493 30 30 CKEC CCCCCCCCCCCCCCC[C@H]1O[C@H]1C(=O)O 100120639 PXNTUSQLBMEDQF-IAGOWNOFSA-N 298.467 5.320 30 30 CKEC CCCCCCC[C@@H]1CC[C@@H]2C[C@H](C(=O)O)CC[C@H]2C1 256111533 RNZXOWSAIKLDFO-YYIAUSFCSA-N 280.452 5.264 30 30 CKEC CC(C)(C)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 1045819 NFUCUSDBLCFYLE-YBFXNURJSA-N 287.790 5.094 30 30 CKEC CCCCCCCCCCC/C=C/CCCCCC(=O)O 96023472 MBSJMRUSWQBXNI-OUKQBFOZSA-N 296.495 6.499 30 30 CKEC SCCCCOc1ccc(N=Nc2ccccc2)cc1 257351019 BQNMXMPBNDYRPC-UHFFFAOYSA-N 286.400 5.191 30 30 CKEC CC(C)Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 90767616 JGKZCMSHVHHKTL-KPKJPENVSA-N 298.813 5.435 30 30 CKEC CCCCCCCCCCCCCCC(OC)OC 136916502 PTBWFLHYJBJGPZ-UHFFFAOYSA-N 272.473 5.697 30 30 CKEC C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3 248026904 ONVABDHFQKWOSV-WUOIFLIFSA-N 272.476 5.975 30 30 CKEC endogenous,in-man CCCCCCC[C@H]1CC[C@H]([C@@H]2CCCCC2=O)CC1 263584645 XZQRXUSJINBSBZ-BZSNNMDCSA-N 278.480 5.913 30 30 CKEC CCCCCCCCCCCCCC(=O)OC[C@H](C)CC 111900246 FRHCPJSPAUFBEH-GOSISDBHSA-N 298.511 6.277 30 30 CKEC CCCCCCCCCCCCCCOC(=O)C(C)(C)C 100104042 DCWZELMIUJYGMS-UHFFFAOYSA-N 298.511 6.277 30 30 CKEC CCCCCCCCCC[C@H](C)O[P@@](=O)(O)OCC 238790636 FWFTXBVNTRQKHD-AWEZNQCLSA-N 294.372 5.059 30 30 CKEC CCCCCCCCCCCCCCCCCN(C)C 43532361 WCVHUIPWSPEOIG-UHFFFAOYSA-N 283.544 6.419 30 30 CKEC CCCCCCCCC(CN)CCCCCCCC 82199902 AJNBZTKXYCQNCT-UHFFFAOYSA-N 269.517 6.063 30 30 CKEC CCCCCCCCCCCCCCC[C@@H]1CO1 100306355 XSNXNMMWBCZUSS-QGZVFWFLSA-N 254.458 5.867 30 30 CKEC CCCCCCCCCCCCSCCC=O 111872845 OZHOOMFSHZDMMS-UHFFFAOYSA-N 258.471 5.230 30 30 CKEC CCCCCCCCCC[C@@](C)(O)CCCCCC 111365225 URPZOYYKCIBTAD-SFHVURJKSA-N 270.501 6.239 30 30 CKEC CCCCCCCCCCC[C@@H](O)CCCCCCCC 112948935 ONNSSMGRFLULCC-FQEVSTJZSA-N 298.555 7.019 30 30 CKEC CCCCCCCCC/C=C/CCCOC(C)=O 137337089 CCPJDPZZVYXVBH-VAWYXSNFSA-N 254.414 5.027 30 30 CKEC CCCCCCCCOC(=O)CC[C@H](CC)CCCC 103823474 SKIXMVZTIDNOJN-QGZVFWFLSA-N 284.484 5.887 30 30 CKEC CCCCCCCC(=O)Oc1cc(C)ccc1C(C)C 104909480 XZMCBWDNOAUFMX-UHFFFAOYSA-N 276.420 5.384 30 30 CKEC C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)OC(=O)CC 1697418 NPSBIIPKEQTFPA-QCUIPMNBSA-N 278.436 5.357 30 30 CKEC C=C[C@@]1(C)CC[C@]2(C)C3=CC[C@@H](O)C(C)(C)[C@H]3CC[C@H]2C1 95914872 DDMHIOKPMUMJDG-QHOFPYNOSA-N 288.475 5.112 30 30 CKEC biogenic,in-vitro CCCCCCCCCCCCCC[C@@H](O)CC#N 111873993 BLGMYVKUAPVISO-QGZVFWFLSA-N 267.457 5.352 30 30 CKEC CCCCCC#CC/C=C/CCCCCCCC(=O)O 1530743 SAOSKFBYQJLQOS-MDZDMXLPSA-N 278.436 5.332 30 30 CKEC CCCCCCCCCOC(=O)CCCCCCCC 103830120 WWDHABCVIVMHKP-UHFFFAOYSA-N 284.484 6.031 30 30 CKEC C=CC(=O)OC[C@@H](C)CCCCCCCCCCCCC 111900175 NSNZZYWLRQPINS-SFHVURJKSA-N 296.495 6.053 30 30 CKEC Cc1cc(C#N)c2c(c1)CCCCCCCCCC2 4371161 TVCSJHYMCPHPIF-UHFFFAOYSA-N 255.405 5.086 30 30 CKEC CCCCCc1ccc(-c2ccc(C#N)s2)s1 2049128 YYDQMBNIGZNOOM-UHFFFAOYSA-N 261.415 5.081 30 30 CKEC C=C[C@@](C)(/C=C/c1ccc(OC)cc1)CCC=C(C)C 22005356 JQPZJZUJFGLNKH-OCKXMSAZSA-N 270.416 5.647 30 30 CKEC CC/C=C\C/C=C\C/C=C\CCCCCCCCCC 150067841 NVTCVZWCSVASGC-JTBMWNAQSA-N 276.508 7.376 30 30 CKEC CCCCCCCCCCCCCC[N+](C)(C)CC 103841896 DELLBLKQOILBPT-UHFFFAOYSA-N 270.525 5.784 30 30 CKEC CCCCCCCCCCC(=O)OC[C@@H](CC)CCCC 137628120 BPFKJEWHKGGRCF-SFHVURJKSA-N 298.511 6.277 30 30 CKEC CCCCCCCCCCCCc1ccccc1CS 100122419 BHRMPAZMSYLRQO-UHFFFAOYSA-N 292.532 6.580 30 30 CKEC C=C(C)/C=C/C[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC 223456153 HPXTYQIQNKBSIK-KOQZAGCLSA-N 278.524 7.168 30 30 CKEC CCCCCCCCCCCCOC(=O)C1CCCCC1 100311136 VKXPLQQDMIORSG-UHFFFAOYSA-N 296.495 6.031 30 30 CKEC CCCCCCCCCCCCC(=O)OC(C)C 100124525 CZYGEVQQOCNIML-UHFFFAOYSA-N 256.430 5.249 30 30 CKEC CCCCC#CCCCCCCCCCCCC 102337397 LSZUIKJDOHTNDU-UHFFFAOYSA-N 250.470 6.491 30 30 CKEC CCCCCCC=CCCCCCCCCCC(=O)O 2265339963 UWHZIFQPPBDJPM-UHFFFAOYSA-N 282.468 6.109 30 30 CKEC CCCCCCCCCCCCCCOC(=O)CS 100310518 LXDHBOICPCPCKD-UHFFFAOYSA-N 288.497 5.161 30 30 CKEC C=C(C)/C=C/C[C@H](C)CCC[C@@H](C)CCC[C@H](C)CC 223456107 HPXTYQIQNKBSIK-BLWZFOPHSA-N 278.524 7.168 30 30 CKEC CC/C(C)=N/C[C@]1(C)C[C@@H](/N=C(\C)CC)CC(C)(C)C1 137275646 SSGRRJUJHKUYOX-PSGBQLLMSA-N 278.484 5.313 30 30 CKEC CCCCCCCCCCCCCCC[C@@H]1O[C@@H]1C(=O)O 100120648 PXNTUSQLBMEDQF-IRXDYDNUSA-N 298.467 5.320 30 30 CKEC C=CC[N+]1(CC[C@H](C)CCCC(C)C)CCCCC1 5758727 NTHCPJMKRGXODE-GOSISDBHSA-N 266.493 5.026 30 30 CKEC in-vitro CCCCCCCCCCCCCCCCCC1(O)CC1 95742867 XEBRQQICJFCKJO-UHFFFAOYSA-N 296.539 6.773 30 30 CKEC CCCCCCCCCCCc1nc(C(=S)S)c[nH]1 104799876 JLPZJNSJPMYRJA-UHFFFAOYSA-N 298.521 5.088 30 30 CKEC C/C(=N\[C@@H]1CC[C@@H](C)[C@H](/N=C(\C)C(C)(C)C)C1)C(C)(C)C 267327320 KKAPTDXXXZADDX-RKXVOIJASA-N 292.511 5.558 30 30 CKEC CCCCCCCCCCCCC1CCC(C(=O)O)CC1 106485547 MFLPJYVJCGPBHI-UHFFFAOYSA-N 296.495 6.188 30 30 CKEC CCCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C#N)CC2)CC1 267330340 VNMUQCJCURWNKC-UBBSCCEASA-N 289.507 6.483 30 30 CKEC CCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O 113195230 LGHXTTIAZFVCCU-SSVNFBSYSA-N 276.420 5.437 30 30 CKEC CCCCCCCCCCc1ccccc1O[P@@H](=O)O 263584719 ZXMYCOSYLBZQDG-UHFFFAOYSA-N 298.363 5.131 30 30 CKEC CCCCCCCCc1c(O)ccc2ccccc12 111870171 AAZCPESOYPGWEG-UHFFFAOYSA-N 256.389 5.448 30 30 CKEC Cc1c2ccccc2c(C#N)c2ccc3ccccc3c12 2032108 GMZDCSKUCXWPPZ-UHFFFAOYSA-N 267.331 5.326 30 30 CKEC CCCCCCCCCCCCCCCC#CCO 95660878 GQKHFXCFJRRZDL-UHFFFAOYSA-N 266.469 5.463 30 30 CKEC CCCCCCC#CCCCCCCCCCCO 105144035 KBXVVQABHGYBML-UHFFFAOYSA-N 266.469 5.463 30 30 CKEC CCCCCCCCCCCCCCC[C@H]1CO1 100306356 XSNXNMMWBCZUSS-KRWDZBQOSA-N 254.458 5.867 30 30 CKEC CCCCCCCc1ccc(Br)s1 215643921 ZNPYUVNIHSSQTB-UHFFFAOYSA-N 261.228 5.024 30 30 CKEC CCCCCCCC/C=C/C/C=C/CCCCC(=O)O 62241087 ZMKDEQUXYDZSNN-OKLKQMLOSA-N 280.452 5.885 30 30 CKEC CCCCCCCCC(=O)OCC[C@@H](C)CC(C)(C)C 100297796 HSAPRRNIACHOPX-MRXNPFEDSA-N 284.484 5.743 30 30 CKEC CCCCCCCCCCCC[C@@H]1CCCC/C1=N/O 100399359 XXZXXNOZICSHDP-JLMFCZBYSA-N 281.484 6.318 30 30 CKEC CC(C)c1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2265271971 RYGRDEVSSARKGB-UHFFFAOYSA-N 284.786 5.360 30 30 CKEC CCCCCCCCCCCC[C@H]1CCCS1 1532143 OGNMSZFPUKYWMR-INIZCTEOSA-N 256.499 6.193 30 30 CKEC biogenic,in-vitro CCCCCCCCCCOC(=O)CCCCCC 103822499 IZOUGMYSRZLQHB-UHFFFAOYSA-N 270.457 5.641 30 30 CKEC CCCCCCCCC(=O)Oc1cccc2ccccc12 140498050 OFXVKKCNGCDUQP-UHFFFAOYSA-N 284.399 5.496 30 30 CKEC C=C(C)C(=O)O[C@H](C)CCCCCCCCCC 111904134 VLBQNOGWIOSMAQ-OAHLLOKOSA-N 254.414 5.025 30 30 CKEC CCCCCCCCCC(C)(C)SC[C@@H](C)O 113140334 FTELMGPDJQFKCC-CQSZACIVSA-N 260.487 5.020 30 30 CKEC Cc1cc(C)c(/N=C/C=N/c2c(C)cc(C)cc2C)c(C)c1 15230307 YVKAJRYLHIECOK-KVJLFNRQSA-N 292.426 5.642 30 30 CKEC CCCCCCCCCCCC[S@@+](CC)[C@@H](C)CC#N 111889617 VGFDHJXNAXNRMZ-ICSRJNTNSA-N 298.560 5.848 30 30 CKEC CCCCCCCCCCCCC[C@@H](C)OC[C@@H]1CO1 111905165 GHJFPZKLWAMOSP-QZTJIDSGSA-N 284.484 5.491 30 30 CKEC CCCCCCCCCCCC[C@@H]1CCCS1 1532144 OGNMSZFPUKYWMR-MRXNPFEDSA-N 256.499 6.193 30 30 CKEC biogenic,in-vitro CCCCCCCC(=O)c1ccc2c(c1)Cc1ccccc1-2 2159214 HZLNJYVBCPTWAK-UHFFFAOYSA-N 292.422 5.801 30 30 CKEC CCCCCCC[C@H]1CC/C(=C/c2ccc(C#N)cc2)C1=O 2143021 VTUJBBXLWMUNSV-OWBBTNHHSA-N 295.426 5.281 30 30 CKEC CCCCCc1ccc(/C=N/c2ccc(C#N)cc2)cc1 111487655 FCQPUXSTFWFVHK-RCCKNPSSSA-N 276.383 5.042 30 30 CKEC CCCCCCCCC[C@H](CC)COC(=O)CC 111902616 SMKJYIUVCPXQHB-HNNXBMFYSA-N 256.430 5.107 30 30 CKEC CCCCCCCCCCCCCC/C=C/C(=O)O 59359371 GEHPRJRWZDWFBJ-FOCLMDBBSA-N 268.441 5.718 30 30 CKEC CCCCCCCCCCCOC(=O)C1CCCCC1 103822797 BTFNOAHOLGBKRX-UHFFFAOYSA-N 282.468 5.641 30 30 CKEC C=CCCCCCCCCC(=O)OCCCCC 5512785 UODPTRHAWGAWQL-UHFFFAOYSA-N 254.414 5.027 30 30 CKEC CC(=NOCc1ccccc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 4042262 HAHCRHHAOGMQGR-ZWKOTPCHSA-N 299.801 5.036 30 30 CKEC CCCCCCCCP(=O)(CCCC)CCCC 95705693 PDNVFGSWMYSBOF-UHFFFAOYSA-N 274.429 6.310 30 30 CKEC [CH2]CCCCCCCCCCCCCCCCC 111489041 MDLWEBWGXACWGE-UHFFFAOYSA-N 253.494 7.082 30 30 CKEC CCCCCCCCCCCCCc1ccccn1 2569817 IQHSKAKXMQNYTA-UHFFFAOYSA-N 261.453 5.935 30 30 CKEC CCCCCCCCCC(C)(C)SC[C@H](C)O 113140337 FTELMGPDJQFKCC-AWEZNQCLSA-N 260.487 5.020 30 30 CKEC CCCCCCCCCCCCCC(=O)OCCS 100128936 BNZMFBWZRAWMQT-UHFFFAOYSA-N 288.497 5.161 30 30 CKEC CCCCCCCCCCCCC[C@@H](C)OC[C@H]1CO1 111905170 GHJFPZKLWAMOSP-MSOLQXFVSA-N 284.484 5.491 30 30 CKEC CCCCCCCCCCCCCOC(=O)C(C)(C)C 100079615 DHWLRNPWPABRBG-UHFFFAOYSA-N 284.484 5.887 30 30 CKEC CCCCCCC[C@@H]1CC[C@@H]2C[C@@H](C(=O)O)CC[C@@H]2C1 256111530 RNZXOWSAIKLDFO-VQHPVUNQSA-N 280.452 5.264 30 30 CKEC CCCCCCCCCCCCc1ccccc1[N+](=O)[O-] 100304169 QWLHSHGYLNXYPS-UHFFFAOYSA-N 291.435 6.058 30 30 CKEC CCCCCC/C=C\CCC(=O)CCCCCCCC 86046849 LLUGFFSGUQULMF-OWBHPGMISA-N 280.496 6.613 30 30 CKEC in-vitro C=CC(=O)OC[C@@H](C)CCCCCCCCCCC 111900166 UDPCWAFIJHHTNI-INIZCTEOSA-N 268.441 5.273 30 30 CKEC C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CCc1ccoc1 34215563 KBXKFFRFDVAEGH-MERDRXRJSA-N 286.459 6.321 30 30 CKEC C#CCCCCCCCCCCCCCCCCCC 64512157 BUSHLWVWPAEVMX-UHFFFAOYSA-N 278.524 7.271 30 30 CKEC CCCCCCCCCCCC[S@@+](CC)[C@H](C)CC#N 111889623 VGFDHJXNAXNRMZ-QUCCMNQESA-N 298.560 5.848 30 30 CKEC CCCCCCCCCCCCCC/C=C(\O)OC(C)=O 135970548 DMKWBHWIWNHTQD-FBMGVBCBSA-N 298.467 6.040 30 30 CKEC CC(C)CCCCCCCCCCCCCC=O 38256357 TWJWQMBBEAVIPZ-UHFFFAOYSA-N 254.458 5.913 30 30 CKEC CC(=NOCc1ccccc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 4042270 HAHCRHHAOGMQGR-MSOLQXFVSA-N 299.801 5.036 30 30 CKEC C=C(C)C(=O)OC[C@@H](C)CCCCCCCCCCC 111903744 ZYNRPKSDNPNGAS-KRWDZBQOSA-N 282.468 5.663 30 30 CKEC CCCCCCCCCC[C@@H](C)O[P@@](=O)(O)OCC 238790635 FWFTXBVNTRQKHD-CQSZACIVSA-N 294.372 5.059 30 30 CKEC Clc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 143285 PZAYOVQXYNGKCI-CAOOACKPSA-N 284.573 5.397 30 30 CKEC CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC 32788664 RZWIIPASKMUIAC-VQTJNVASSA-N 296.539 6.893 30 30 CKEC endogenous,in-man CCCCCCCCN(c1ccccc1)c1ccccc1 103830785 RQVGZVZFVNMBGS-UHFFFAOYSA-N 281.443 6.185 30 30 CKEC C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 139142178 ONVABDHFQKWOSV-SQIBXOBRSA-N 272.476 5.975 30 30 CKEC endogenous,in-man CCCCCCCCCCOC(=O)CCCCC 100312165 QNKHVQVPARQEKZ-UHFFFAOYSA-N 256.430 5.251 30 30 CKEC CCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C 100512761 WVOMTKJRDMPOCF-OBGWFSINSA-N 294.479 5.973 30 30 CKEC CCCCCCCCCCCCCC[C@H](O)CC#N 111873990 BLGMYVKUAPVISO-KRWDZBQOSA-N 267.457 5.352 30 30 CKEC CCCCCCCC[C@@H](CCO)CCCCCC 136628094 WGDHJACBNBATDD-KRWDZBQOSA-N 256.474 5.706 30 30 CKEC C=C(C)C(=O)OCCCCCCCCCCCCCCC 100310324 YOTGRUGZMVCBLS-UHFFFAOYSA-N 296.495 6.197 30 30 CKEC CCCCCCCCCCCCN(C)c1ccccc1 1601012 GOJIVVWJAXAPGS-UHFFFAOYSA-N 275.480 6.044 30 30 CKEC C/C(=N\[C@@H](C)c1ccccc1)c1cccc2ccccc12 34101837 LWYGKPGNUHCTCL-SSPLZPMDSA-N 273.379 5.410 30 30 CKEC C=CC(=O)OC[C@H](C)CCCCCCCCCCCC 111900168 UHSGJVXENOKVTE-QGZVFWFLSA-N 282.468 5.663 30 30 CKEC CCCCCCc1ccc(/C=N/c2ccc(C#N)cc2)cc1 5820632 MOXOWUJNSDTVNT-CJLVFECKSA-N 290.410 5.432 30 30 CKEC O=C1/C(=C/c2csc3ccccc23)CCc2ccccc21 4709432 SLCTXKNAGUUYNY-SDNWHVSQSA-N 290.387 5.114 30 30 CKEC C=C[C@](C)(O)CCC=C(C)CCC=C(C)CCC=C(C)C 2265210483 IQDXAJNQKSIPGB-FQEVSTJZSA-N 290.491 6.123 30 30 CKEC CC(=O)C(=C=C(C(C)C)C1CCCC1)C1CCCC1 139634519 LYINJNDRSHVLIF-UHFFFAOYSA-N 260.421 5.064 30 30 CKEC C/C(=N\[C@H](C)c1ccccc1)c1cccc2ccccc12 34101838 LWYGKPGNUHCTCL-JJTVEENBSA-N 273.379 5.410 30 30 CKEC C=C(C)C(=O)OCCCCCCCCCCC(C)C 38656933 XWQPYRZLNKQZFP-UHFFFAOYSA-N 268.441 5.273 30 30 CKEC C=C[C@@](C)(CCC=C(C)C)OC(=O)CCCCCCC 1850774 OJKMRECJBIPPRG-SFHVURJKSA-N 280.452 5.581 30 30 CKEC endogenous,in-man CCCCCCCCCCCCC[C@H](C)OC[C@@H]1CO1 111905167 GHJFPZKLWAMOSP-ZWKOTPCHSA-N 284.484 5.491 30 30 CKEC C#Cc1ccc(OCCCCCCCCCC)cc1 100094483 URRNONKKPITKPN-UHFFFAOYSA-N 258.405 5.187 30 30 CKEC C/C(=N\[C@@H]1CCC[C@@H](/N=C(\C)C(C)(C)C)C1C)C(C)(C)C 33611066 VRZMKKMBVSGAJO-BMYVLGGJSA-N 292.511 5.558 30 30 CKEC C=C(C)C(=O)OCCCCCCCCCCCC(C)C 38656936 MRUNBWPNLIPKOT-UHFFFAOYSA-N 282.468 5.663 30 30 CKEC CCCCCCCCCCOC(=O)CCCCCC(C)C 103832408 NOIATFAZOGVHNB-UHFFFAOYSA-N 298.511 6.277 30 30 CKEC CCCCCCCC/C=C\CCCCCCCC(=O)NC 43408958 NJNFUPWMCKHLRE-KHPPLWFESA-N 295.511 5.770 30 30 CKEC CCCSc1scc(-c2ccc(Cl)cc2)c1C#N 2148434 LJXSARIBQYIMQB-UHFFFAOYSA-N 293.844 5.442 30 30 CKEC Cc1c(/C=N/c2ccc(C(C)C)cc2)sc2ccccc12 3086630 XVKHOFNHVMJEND-UDWIEESQSA-N 293.435 6.084 30 30 CKEC CCCCCCCCC(=O)OCCCCCC(C)C 103821998 PJFUXKUGWYCBQR-UHFFFAOYSA-N 270.457 5.497 30 30 CKEC Cc1ccc(C=NNc2ccccc2-c2ccccc2)cc1 254735905 CXVAOOVERVDMFZ-UHFFFAOYSA-N 286.378 5.108 30 30 CKEC CCCCCCC[C@H]1CC[C@H]([C@H]2CCCCC2=O)CC1 263584646 XZQRXUSJINBSBZ-KZNAEPCWSA-N 278.480 5.913 30 30 CKEC C=C[C@]1(CCCCC)CC[C@@H](C2CCCCC2)CC1 2265362065 YTHBLHVUWUYBKM-KDURUIRLSA-N 262.481 6.510 30 30 CKEC C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 104877706 ONVABDHFQKWOSV-AZNNDXHDSA-N 272.476 5.975 30 30 CKEC endogenous,in-man C=C(CC)CCCCCCCCCCCCCC 103852940 LCFDRPQKZJDBHH-UHFFFAOYSA-N 252.486 7.044 30 30 CKEC C(=N/C1CCCCCCCCCCC1)\c1ccccc1 2166674 IZTOOMFZMZOORI-LVZFUZTISA-N 271.448 5.779 30 30 CKEC CCCCCCCCCCCCCCCCC/C(N)=N\O 100075318 WFFOJNFDOLQJBH-UHFFFAOYSA-N 298.515 5.994 30 30 CKEC C=CC(=O)OC[C@H](C)CCCCCCCCCCCCC 111900173 NSNZZYWLRQPINS-GOSISDBHSA-N 296.495 6.053 30 30 CKEC CCCCCCCCCCCCCCCC[C@H](O)CC#N 100306575 OAKBFDJZWOPGMA-IBGZPJMESA-N 295.511 6.132 30 30 CKEC C(=N/c1ccc2ccccc2c1)\Nc1ccc2ccccc2c1 17120151 MITZONZIVMJISG-UHFFFAOYSA-N 296.373 5.765 30 30 CKEC CCCCCCCCCCCCCCCOCCO 111375310 VZXORAZVOZRPBU-UHFFFAOYSA-N 272.473 5.087 30 30 CKEC CCCCCCCCCCCCCCCOC[C@H]1CO1 78239652 SNALIOQALXUVIF-SFHVURJKSA-N 284.484 5.493 30 30 CKEC C=CC(=O)OCCCCCCCCCCCCCCC 111875179 GOZDOXXUTWHSKU-UHFFFAOYSA-N 282.468 5.807 30 30 CKEC CCCCCCCCOC(=O)[C@H](CC)CCCC 103824610 LGCQCKHJCZIRTE-OAHLLOKOSA-N 256.430 5.107 30 30 CKEC C=C[C@@](C)(O)CCC=C(C)CCC=C(C)CCC=C(C)C 2265210484 IQDXAJNQKSIPGB-HXUWFJFHSA-N 290.491 6.123 30 30 CKEC CCCCCCCCCCCCS[C@@H](C)CC#N 81141119 LWJYQMDILSTVNM-INIZCTEOSA-N 269.498 5.943 30 30 CKEC Cc1c2ccc3ccccc3c2cc2cccc(C#N)c12 1673907 OABWNVLQUOKXFA-UHFFFAOYSA-N 267.331 5.326 30 30 CKEC CCCCCCCCCCCC(=O)OCC(F)(F)F 108779598 PPTDZDMCCJUALP-UHFFFAOYSA-N 282.346 5.013 30 30 CKEC C=C[C@](C)(CCC=C(C)C)OC(=O)CCCCCCC 1850773 OJKMRECJBIPPRG-GOSISDBHSA-N 280.452 5.581 30 30 CKEC endogenous,in-man CCCCCCCCCCC[N+](C)(C)Cc1ccccc1 77946399 OVQUVWCFWHMKRG-UHFFFAOYSA-N 290.515 5.794 30 30 CKEC CC(C)c1ccc(/C=C2\CSc3ccccc3C2=O)cc1 84833 ORIHWEDAJTXQTI-LFIBNONCSA-N 294.419 5.182 30 30 CKEC CCC[C@H]1CC[C@H](CCc2ccc(C#N)cc2)CC1 585138977 DAUXIZYWZXMLAF-WKILWMFISA-N 255.405 5.097 30 30 CKEC CCCCCCCC[C@H](C=O)Cc1ccc(C(C)C)cc1 111903887 OITFAOHCTDPSPO-IBGZPJMESA-N 288.475 5.918 30 30 CKEC CCCCCCCCCCCC#CCCCCC#N 136545158 NPUREDFPSYXSQW-UHFFFAOYSA-N 261.453 5.995 30 30 CKEC C=C[C@](C)(/C=C/c1ccc(OC)cc1)CCC=C(C)C 26835949 JQPZJZUJFGLNKH-LLLGYDHXSA-N 270.416 5.647 30 30 CKEC CCCCCCCCC(=O)OCCCCCCC 79084714 ARSLOAKOWGOSEX-UHFFFAOYSA-N 256.430 5.251 30 30 CKEC CCCCCCC[C@@H]1CC/C(=C/c2ccc(C#N)cc2)C1=O 2143023 VTUJBBXLWMUNSV-GXYBQNOFSA-N 295.426 5.281 30 30 CKEC CCCCCC/C=C/CCCCCCCCCC=O 102186464 YSSVMXHKWSNHLH-BQYQJAHWSA-N 266.469 6.223 30 30 CKEC CC/C=C/CCCCCCCCCCCCCCCC 60107603 AKTLQTMAOYZJGI-FNORWQNLSA-N 280.540 7.824 30 30 CKEC biogenic CCCCCCCCOC(=O)CCCCCCCC 100313390 XMCQOINBECWLBL-UHFFFAOYSA-N 270.457 5.641 30 30 CKEC CCCCCCC[C@H]1CC[C@H](c2ccc(F)c(F)c2)CC1 248297169 XZJQPRYOMYTPOL-WKILWMFISA-N 294.429 6.599 30 30 CKEC C=CCCCCCCCCCCCCC(=O)OC 14639222 QYLPVAFXMHOCOO-UHFFFAOYSA-N 254.414 5.027 30 30 CKEC CCCCCCCCCCCCOC(=O)OCC 111871680 LMSGSHBFYQRPBM-UHFFFAOYSA-N 258.402 5.080 30 30 CKEC CC(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1 1046419 ROZPBKIAQVTJRJ-QGOAFFKASA-N 276.379 5.023 30 30 CKEC CCCCCCCCCCOC(=O)CCCCCCC 100127307 WVWRBUIUZMBLNI-UHFFFAOYSA-N 284.484 6.031 30 30 CKEC CC/C(C)=N/C[C@@]1(C)C[C@@H](/N=C(\C)CC)CC(C)(C)C1 137275689 SSGRRJUJHKUYOX-AISQGVLVSA-N 278.484 5.313 30 30 CKEC CCCCCCCCCCCCc1ccc2ncccc2c1 136659928 OJFCWCHKPWGHTR-UHFFFAOYSA-N 297.486 6.698 30 30 CKEC Cc1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 67218 UAMMIQLCOAZTKW-QGMBQPNBSA-N 298.600 5.706 30 30 CKEC C=C(C)C(=O)OCCCCCCCCCCCCC(C)C 38656940 IADHOSOWVPXCGA-UHFFFAOYSA-N 296.495 6.053 30 30 CKEC CCCCCCCCCCCC[S@+](CC)[C@@H](C)CC#N 111889621 VGFDHJXNAXNRMZ-AZUAARDMSA-N 298.560 5.848 30 30 CKEC C#Cc1ccc(OCCCCCCCCCCCC)cc1 106489392 LMBLUYJLMWNVGH-UHFFFAOYSA-N 286.459 5.968 30 30 CKEC CCCCCCCCCCCOc1ccc(N)cc1 100102482 KNQYKCAKNCDJTI-UHFFFAOYSA-N 263.425 5.178 30 30 CKEC CCCCCCCCOC(=O)CC[C@@H](CC)CCCC 103823469 SKIXMVZTIDNOJN-KRWDZBQOSA-N 284.484 5.887 30 30 CKEC COC(=O)c1ccccc1N=CC[C@@H](C)CCCC(C)C 256705601 BHHAGTCBFIQRCK-HNNXBMFYSA-N 289.419 5.028 30 30 CKEC CCC#CCCCCCCCCCCO[C@@H]1CCCCO1 5767917 QPBHDSXBIQFNFW-IBGZPJMESA-N 294.479 5.454 30 30 CKEC CC(=O)C=Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1 2265270072 LLAAMDBDFJZYDU-UHFFFAOYSA-N 294.394 5.379 30 30 CKEC CCCCCCCC/C=C\CCCCCCCCCCC 100167495 NVBODECJSYHQIE-ZPHPHTNESA-N 294.567 8.214 30 30 CKEC CCCCCCCCCCCCCCCCCC(=O)NO 103844334 ZSEUZYCBPBIUPT-UHFFFAOYSA-N 299.499 5.753 30 30 CKEC CCCCCCCCC(=O)OCC[C@H](C)CC(C)(C)C 100297798 HSAPRRNIACHOPX-INIZCTEOSA-N 284.484 5.743 30 30 CKEC CCCCCCCCCCCC[S@+](CC)[C@H](C)CC#N 111889626 VGFDHJXNAXNRMZ-UYAOXDASSA-N 298.560 5.848 30 30 CKEC C=C(C)/C=C/C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC 199929146 HPXTYQIQNKBSIK-LHRLDOBGSA-N 278.524 7.168 30 30 CKEC N#Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5162766 XZMCHEMFDIMFEK-UHFFFAOYSA-N 295.345 5.003 30 30 CKEC CCCCCCCC(O)(c1ccccc1)c1ccccc1 100295632 YYJLLMXLZZGCBY-UHFFFAOYSA-N 282.427 5.283 30 30 CKEC CC(C)(C)C1=CC(=O)C2=Cc3ccc(C(C)(C)C)cc3C2=C1 96102721 RCCHXRCXYHXEQY-UHFFFAOYSA-N 292.422 5.320 30 30 CKEC CCN(c1ccccc1)c1ccc(/C=N/c2ccccc2)o1 137940075 JHCDCRDCNRKJLS-HMMYKYKNSA-N 290.366 5.188 30 30 CKEC CCCCCCCCCCCCCC(=O)OCC(C)(C)C 140570206 VUDOAEVYGXSOME-UHFFFAOYSA-N 298.511 6.277 30 30 CKEC C/C(=N\[C@H]1C[C@H](/N=C(\C)C(C)(C)C)CC[C@@H]1C)C(C)(C)C 33611047 KKAPTDXXXZADDX-RAPQNBSRSA-N 292.511 5.558 30 30 CKEC CCCCCCCCCCCCSCCC(=O)OC 100072710 VSIGYUOJAOCSKU-UHFFFAOYSA-N 288.497 5.204 30 30 CKEC C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)OC(=O)CC 1697416 NPSBIIPKEQTFPA-IYICPGQYSA-N 278.436 5.357 30 30 CKEC Cc1ccc(N=CC=CNc2ccc(C)cc2C)c(C)c1 2265279722 BDFYGAYWWNAQCT-UHFFFAOYSA-N 278.399 5.248 30 30 CKEC CCCCCCCCCCCCCCCC[N+](C)(C)[O-] 59163030 IBOBFGGLRNWLIL-UHFFFAOYSA-N 285.516 6.042 30 30 CKEC CCCCCCCC(=O)OCCCCCC(C)C 103823996 PIIBZLCEASDIIV-UHFFFAOYSA-N 256.430 5.107 30 30 CKEC CCCCCCCCCCCCS[C@H](C)CC#N 81141120 LWJYQMDILSTVNM-MRXNPFEDSA-N 269.498 5.943 30 30 CKEC C=C(C)C(=O)O[C@@H](C)CCCCCCCCCC 111904137 VLBQNOGWIOSMAQ-HNNXBMFYSA-N 254.414 5.025 30 30 CKEC C/C(=N\[C@@H]1CC[C@H](C)[C@H](/N=C(\C)C(C)(C)C)C1)C(C)(C)C 256283093 KKAPTDXXXZADDX-OCZXDZQWSA-N 292.511 5.558 30 30 CKEC CCCCCCC[C@@H]1CC[C@@H]2C[C@H](C(=O)O)CC[C@@H]2C1 78913176 RNZXOWSAIKLDFO-QBPKDAKJSA-N 280.452 5.264 30 30 CKEC CCCCCCCCC#CCCCCCC(OC)OC 135863350 RCTGSQGPAGWZKX-UHFFFAOYSA-N 282.468 5.310 30 30 CKEC CCCCCCCCCCOC(=O)CCCCC(C)C 103832426 YHQKHWWCZACCST-UHFFFAOYSA-N 284.484 5.887 30 30 CKEC Cc1csc2sc(/C=N/Cc3cccs3)c(C)c12 148868 GHMYLNMAMXUBFQ-VIZOYTHASA-N 291.466 5.260 30 30 CKEC CCCCCC/C=C\CCCCCCCCOC(C)=O 59725341 VAKBQCYSUVICLV-HJWRWDBZSA-N 282.468 5.807 30 30 CKEC CC(C)CCCCCCCCCCCCCC[C]=O 100082851 KMYBYMKQJABYNV-UHFFFAOYSA-N 267.477 6.214 30 30 CKEC CCCCCCCCc1ccc(C(=O)c2ccccc2)cc1 2585511 MPCGVMBDFHRSCF-UHFFFAOYSA-N 294.438 5.821 30 30 CKEC CCCCCCCC[N+](C)(C)C[C@@H](CC)CCCC 111905538 YKZSMJHWONIGCF-SFHVURJKSA-N 270.525 5.640 30 30 CKEC N#Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 113988 OKOKOLCKLJUGBZ-UHFFFAOYSA-N 296.782 5.002 30 30 CKEC C[C@@H](/N=C/c1c[nH]c2ccccc12)c1cccc2ccccc12 238790864 QMZPERQOAYVMKX-IKMPRTQCSA-N 298.389 5.501 30 30 CKEC CCCCCCCc1cc(C)c(CCCCC)o1 100047387 USLSHTRZCWBJPZ-UHFFFAOYSA-N 250.426 5.834 30 30 CKEC CC(C)(C)/N=C/C=C(C[Si](C)(C)C)C[Si](C)(C)C 195751496 NVBMMLITVVTKEI-LFIBNONCSA-N 283.608 5.459 30 30 CKEC Clc1ccc(/C(=N/c2ccccc2)c2ccccc2)cc1 13464552 QJZVGCIIYYWULP-XUTLUUPISA-N 291.781 5.509 30 30 CKEC C=CCC[C@H]1CC[C@H](C2CCC(CCCC)CC2)CC1 299803410 OHEOCAVFAYFXJN-OFVLBHHSSA-N 276.508 6.756 30 30 CKEC C=CCCCCCCCCC(=O)Oc1ccc(C)cc1 6070937 JBSXTRRQRUQNQG-UHFFFAOYSA-N 274.404 5.207 30 30 CKEC CCCCCC/C=C/CCCCCCOC(C)=O 59725180 UEZQOSGCHCNWOE-CMDGGOBGSA-N 254.414 5.027 30 30 CKEC CCCCCCCCCCCc1ccc2cccnc2c1O 111884378 GWEBMPLMIBHPCC-UHFFFAOYSA-N 299.458 6.014 30 30 CKEC CCCCCCCCCCCCC(=O)OCCCC 100303353 HKXBPYQGPDKLHV-UHFFFAOYSA-N 270.457 5.641 30 30 CKEC C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@H]1C3 135748694 ONVABDHFQKWOSV-YQXATGRUSA-N 272.476 5.975 30 30 CKEC endogenous,in-man CCCCCCCCCCCCCCC(=O)OCCCC 111872018 KRMLKIYWYMUWHP-UHFFFAOYSA-N 298.511 6.421 30 30 CKEC C=C(C)C(=O)OC[C@H](C)CCCCCCCCCCC 111903742 ZYNRPKSDNPNGAS-QGZVFWFLSA-N 282.468 5.663 30 30 CKEC CC/C(C)=N/C[C@]1(C)C[C@H](/N=C(\C)CC)CC(C)(C)C1 137275555 SSGRRJUJHKUYOX-BYIHFCBYSA-N 278.484 5.313 30 30 CKEC CCC(=O)/C=C/C=C/C(C)=C/C=C/C=C/c1ccccc1 33842982 KMNUJIARVHVQCF-SVCWYOIUSA-N 278.395 5.294 30 30 CKEC in-vitro CCCCCCCCCCCOC(=O)[C@H](CC)CCCC 2265356018 IFQJILFIUBVCBM-GOSISDBHSA-N 298.511 6.277 30 30 CKEC C=CC(=O)NCCCCCCCCCCCCCCCC 78413787 BKWMQCLROIZNLX-UHFFFAOYSA-N 295.511 5.770 30 30 CKEC CCCCCCCCCCCCCC(=O)OCCCCC 43524017 QPXYWTUZRZEUAK-UHFFFAOYSA-N 298.511 6.421 30 30 CKEC CCCCCCCCCCCCCCCC[C@@H](O)CC#N 100306577 OAKBFDJZWOPGMA-LJQANCHMSA-N 295.511 6.132 30 30 CKEC CCCCCCCCCCC(=O)OCc1ccccc1 142047771 BBDULIAMCCXFCV-UHFFFAOYSA-N 276.420 5.261 30 30 CKEC COC(=O)c1ccccc1N=CC[C@H](C)CCCC(C)C 256705604 BHHAGTCBFIQRCK-OAHLLOKOSA-N 289.419 5.028 30 30 CKEC