smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CO1 34803684 FWEHVPCBXKCYHE-JTHGQSKGSA-N 310.478 5.186 30 50 DKEA in-vivo Cc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)s1 136730 QEGJLRIARJEIPG-DEDYPNTBSA-N 320.417 5.059 30 50 DKEA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccs1 4076134 PGTGQXFQYUYEAC-VQHVLOKHSA-N 314.793 5.558 30 50 DKEA C/C(=N\N=C(/C)c1cc2ccccc2o1)c1cc2ccccc2o1 39593688 YGYRXDBEXHHNDJ-JFMUQQRKSA-N 316.360 5.412 30 50 DKEA C=C(C)[C@H]1CCC(C)=C1CC(C)(C)CNc1ccccc1OC 1230808 SQASTBBIRCXNIQ-QGZVFWFLSA-N 313.485 5.826 30 50 DKEA COc1ccc(/C=N/c2ccc(/C=C/c3ccccc3)cc2)cc1 1955738 AMWLHYSTQXHJRQ-BTUYPZDSSA-N 313.400 5.616 30 50 DKEA in-vitro Oc1ccc2ccccc2c1C=Nc1cc(Cl)ccc1Cl 254826638 XKCAZLOMMZNJGR-UHFFFAOYSA-N 316.187 5.603 30 50 DKEA CCCCCCCCCCCCCCCCCCC(=O)OC 86046710 BDXAHSJUDUZLDU-UHFFFAOYSA-N 312.538 6.811 30 50 DKEA biogenic,in-vitro CCCCCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1 2584507 HRVNADYIJXVWHM-PTGBLXJZSA-N 323.480 6.349 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCCCCCC 6920413 IGOWHGRNPLFNDJ-ZPHPHTNESA-N 322.621 8.994 30 50 DKEA in-vitro C#CC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 71782897 QYJUYDCAMXXRFR-UHFFFAOYSA-N 310.440 5.579 30 50 DKEA Cc1ccc(C(=O)ON=C2CCCCCCCCCCC2)cc1 4118220 RXKIPWQXORXKNQ-UHFFFAOYSA-N 315.457 5.813 30 50 DKEA CCCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 1874219 MGCXMLKZHSEMFY-PTGBLXJZSA-N 323.480 6.485 30 50 DKEA FC(F)(F)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1 6829302 LSSRKTSPSCNHKB-DNTJNYDQSA-N 318.125 5.763 30 50 DKEA O=C1/C(=C\c2ccc(Cl)cc2)CCc2c1[nH]c1ccccc21 6941693 DSCZYJKJXQTIBY-QBFSEMIESA-N 307.780 5.034 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1cc(C)ccn1 8452327 LYBSAIOULNPEOL-UHFFFAOYSA-N 318.505 6.030 30 50 DKEA CCCCCCCCCCCCCCCC(=O)c1ccccc1 6845920 IIOLAWJMOGLOIB-UHFFFAOYSA-N 316.529 7.351 30 50 DKEA in-vitro CCCCCCCCCCCCCCOc1cccc(N)c1 101016513 VNDKIXPLPLIGJV-UHFFFAOYSA-N 305.506 6.349 30 50 DKEA N#Cc1ccc(/N=N/c2ccc(N3CCCCCC3)cc2)cc1 4774697 YBQNHKXBMVKXIN-QURGRASLSA-N 304.397 5.354 30 50 DKEA CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccccc2)cs1 12343324 IMFXLYJNUOEQPW-CNTOZLEXSA-N 319.433 5.311 30 50 DKEA CCCCCCCCc1ccc(-c2ccc(C(N)=O)cc2)cc1 2485704 IRMMQEKTDYLGCV-UHFFFAOYSA-N 309.453 5.356 30 50 DKEA CCCCCCCCCCCCCCCOC(=O)n1cccc1 97950606 NXSIQOPRHZVORY-UHFFFAOYSA-N 321.505 6.564 30 50 DKEA CCN1/C(=C/C(C)=N/Cc2ccccc2)Sc2ccccc21 334157134 BKIFMBDBBCZGIW-BBUPZUFASA-N 308.450 5.121 30 50 DKEA Clc1ccccc1/N=C/c1c2ccccc2cc2ccccc12 2162210 JOYSTEXGMIXTAD-OEAKJJBVSA-N 315.803 6.397 30 50 DKEA CCCCCCCCCCC(O)CCCCCCCCCC 100025763 BCNCKKYOXRHQGT-UHFFFAOYSA-N 312.582 7.409 30 50 DKEA C=CCCCCCC[C@@]1(O)[C@](O)(CC=C)[C@H]2CC[C@@]1(C)C2(C)C 216543954 LIOAOAPZTHFEEQ-VMXMFDLUSA-N 320.517 5.007 30 50 DKEA C(=N/C(/N=C/c1cccs1)c1cccs1)\c1cccs1 95851261 JFBOACJJWSHXAS-OTYYAQKOSA-N 316.476 5.108 30 50 DKEA in-vitro Cc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3)cc2)o1 469339 XITUAMUWBFKGDM-BUHFOSPRSA-N 319.360 5.189 30 50 DKEA CCCCCCCCN[C@H](c1ccccc1)c1ccc(C)cc1 103010908 YYARSJHQICBBKC-JOCHJYFZSA-N 309.497 6.035 30 50 DKEA Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(Cl)c1 100460226 BQCKBJFBPOHHLB-REZTVBANSA-N 300.572 5.103 30 50 DKEA C=C1CC[C@@H]2[C@H](C1)c1c(O)cc(CCCCC)cc1OC2(C)C 29392853 AOYYFUGUUIRBML-DLBZAZTESA-N 314.469 5.736 30 50 DKEA Clc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(Cl)c1 2171474 FXKFFDUAJPCTKA-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA Cc1cc(N=C(c2ccccc2)c2ccccc2)c(C#N)s1 16696660 QDYPZLYMUSLBAQ-UHFFFAOYSA-N 302.402 5.097 30 50 DKEA N#CC[C@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1Cl 401075 XJMPIDDNARIXKG-GDBMZVCRSA-N 315.203 5.298 30 50 DKEA Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccccc1 4014306 CARWTLHYUZGUDZ-OUKQBFOZSA-N 305.402 5.015 30 50 DKEA CCCCCCCCCCCCCCCCS(=O)(=O)O 6845885 SSILHZFTFWOUJR-UHFFFAOYSA-N 306.512 5.356 30 50 DKEA biogenic,in-vivo CCCCCCCCCCC[C@H](C)NC(=O)c1cc(C)on1 100658044 VGKWPWJBOJELJL-HNNXBMFYSA-N 308.466 5.022 30 50 DKEA CCCCCCCCCCCCOc1ccc([S@@](C)=O)cc1 100813778 QJQNZPVJCGCSDP-QFIPXVFZSA-N 324.530 5.724 30 50 DKEA C=C(C)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)[C@]3(C)CC(=C)C[C@H]3[C@]21C 71786417 SCIHIKWLECBJIL-WEOSFHGISA-N 314.513 5.957 30 50 DKEA CCCCCCCCCC(=O)N[C@@H](C)CCc1ccccc1 100720107 QUHAEVREYFTQBP-SFHVURJKSA-N 303.490 5.265 30 50 DKEA Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 4159717 ABBANFLTRRYSBR-ZRDIBKRKSA-N 322.791 5.805 30 50 DKEA C=C(C)C[C@@H]1C[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 25691268 GHHYZDXRSWWGNV-IPHCQZAOSA-N 314.428 5.065 30 50 DKEA CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 34803679 FWEHVPCBXKCYHE-ZEVQVBBLSA-N 310.478 5.186 30 50 DKEA in-vivo C#CC[C@]1(Cc2ccccc2)[C@]2(C)[C@@H]3CC[C@H]3[C@]21c1ccccc1 253596811 WFHGBYATWQTJSQ-URYYLNOGSA-N 312.456 5.237 30 50 DKEA FC(F)(F)c1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1 135697361 FRYNVLNXFPVXQT-UHFFFAOYSA-N 314.228 5.124 30 50 DKEA CCCCCCCCCCCCCCCCP(=O)(O)O 6921194 JDPSFRXPDJVJMV-UHFFFAOYSA-N 306.427 5.645 30 50 DKEA O=C(/C=C/Nc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 304581 AHBCHSRMNPZMNH-BUHFOSPRSA-N 317.363 5.301 30 50 DKEA CCCCCCCCNC(=S)NCCCCCCCC 95698160 RNGRBOULPSEYNL-UHFFFAOYSA-N 300.556 5.172 30 50 DKEA N#CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2350410 DUMILQWFIKWJNC-UHFFFAOYSA-N 320.339 5.222 30 50 DKEA biogenic C=C(C)C[C@@H]1C[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4775377 GHHYZDXRSWWGNV-LZUKYAPVSA-N 314.428 5.065 30 50 DKEA CCCCCCCCC(CO)(CO)CCCCCCCC 100006034 NFPNQEAEXIXGNY-UHFFFAOYSA-N 300.527 5.459 30 50 DKEA in-vitro O=C(O)CCCCCCCCCCCCCCCCCS 33822082 FTGROEQKMLQQEP-UHFFFAOYSA-N 316.551 6.242 30 50 DKEA Cc1ccc(C(C)C)c(OCCn2cc(C#N)c3ccccc32)c1 315797 UFLVHUCLBULCFA-UHFFFAOYSA-N 318.420 5.024 30 50 DKEA C/C(=C\C(=O)c1ccc(C)cc1)Nc1cccc(C(F)(F)F)c1 2948912 YYCOBDQBCSRHKT-JLHYYAGUSA-N 319.326 5.212 30 50 DKEA Cc1cc(C)c2nc(N/N=C3\CCCc4ccccc43)sc2c1 223246570 UEEAGCQGMFFQIH-LTGZKZEYSA-N 321.449 5.066 30 50 DKEA CCCCCCCCCSCCCCCCCC(=O)O 44118576 IYDVFMFKIKZKEK-UHFFFAOYSA-N 302.524 5.895 30 50 DKEA in-vitro C=CCCCCCC[C@]1(O)[C@](O)(CC=C)[C@H]2CC[C@@]1(C)C2(C)C 104309057 LIOAOAPZTHFEEQ-ZIBCJSCZSA-N 320.517 5.007 30 50 DKEA CC1(C)CC(=O)C=C(Nc2ccc(Nc3ccccc3)cc2)C1 2487680 XPDVZCSPFJQAGU-UHFFFAOYSA-N 306.409 5.115 30 50 DKEA CCCCCCCCCCOc1ccc(C(=O)CC)c(O)c1 100730503 WNBBMVRSYKQOKW-UHFFFAOYSA-N 306.446 5.504 30 50 DKEA Cc1ccc(C)c(-c2cc(-c3ccccc3)c(C#N)c(S)n2)c1 181817 LLDHENITJDBEGW-UHFFFAOYSA-N 316.429 5.193 30 50 DKEA CCCCCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 2140880 ZWAUTNYPKHVAEZ-UHFFFAOYSA-N 321.420 5.290 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCCCOC(=O)c1cccnc1 43153333 TVGLGJWCZSCAEM-UHFFFAOYSA-N 319.489 5.940 30 50 DKEA in-vitro Cc1ccc(C(=O)/C=C/Nc2cc(Cl)cc(Cl)c2)cc1 449452 XQUDUBCPDOOWCC-VOTSOKGWSA-N 306.192 5.110 30 50 DKEA O=C(/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1O 4836767 FSDAZTFQWAZVCC-KPKJPENVSA-N 308.764 5.095 30 50 DKEA Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(F)cc3)o2)cc1 4158519 RHUNIWGGNHKPIY-ZRDIBKRKSA-N 306.336 5.290 30 50 DKEA CCCCCCCCc1ccc(CCCCCCCC)cc1 100654253 WNLMYIPOMNQVLC-UHFFFAOYSA-N 302.546 7.493 30 50 DKEA CCCCCCCCCCCCCCCCSC(C)=O 101014056 PGZPOFBLPAINKO-UHFFFAOYSA-N 300.552 6.747 30 50 DKEA O=[N+]([O-])c1ccc(C#Cc2ccc3cc4ccccc4cc3c2)cc1 2895908 WNZMKZCJOFTJCK-UHFFFAOYSA-N 323.351 5.301 30 50 DKEA CCOc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 5073201 XJTXSCILVDCVLC-ZHACJKMWSA-N 321.203 5.288 30 50 DKEA Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)c(C)c1 181816 YKBIIPHSJQOJHK-UHFFFAOYSA-N 316.429 5.567 30 50 DKEA CCCCCCCCCCCCCCCCCCNCCO 78170161 YGCMLNDQGHTAPC-UHFFFAOYSA-N 313.570 5.830 30 50 DKEA C=CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 253595873 JZBZILTUIHGIMB-JVTHYKSUSA-N 314.513 5.911 30 50 DKEA CC1=CSC(=CC(C)=Nc2ccccc2)N1c1ccccc1 1875390519 CCWZTOVNKNEEAU-UHFFFAOYSA-N 306.434 5.735 30 50 DKEA N#CC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](C#N)c1ccccc1 401089 DYXQKXLCFUJXBN-HUUCEWRRSA-N 315.203 5.298 30 50 DKEA CC(=O)c1ccccc1O/C(=N/c1ccccc1)c1ccccc1 2172913 MGABDNYYCURZPR-QURGRASLSA-N 315.372 5.047 30 50 DKEA O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 4076136 ADLBVOVFSLFWKA-VQHVLOKHSA-N 314.793 5.558 30 50 DKEA CCCCCC(=O)/C=C/C=C\CCCCCCCCCC(=O)O 26579518 QZCMHXPXGACWLJ-QWAPPMFBSA-N 322.489 5.844 30 50 DKEA in-vitro C[C@H]1[C@H]2C[C@@H](C/C2=C2C(=N/O)/[C@H]3C[C@H]/2C(C)(C)[C@@H]3C)C1(C)C 252394248 CCDHTPVHZBYPLL-PPGLSKSASA-N 301.474 5.127 30 50 DKEA C/C(=N\N=C(/C)c1ccc(-c2ccccc2)cc1)c1ccccc1 5221174 WYZCRZBXPRVTGJ-GJHDBBOXSA-N 312.416 5.587 30 50 DKEA Cc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1C 2170898 QLVLYMXVCOLLFW-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA Cc1ccc(C)c(/N=C/c2c3ccccc3cc3ccccc23)c1 2162217 KMDLKCCDSRVQRC-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA C/C(=N\N=C(/C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8579273 QSEXMNJCTCIKJC-AYKLPDECSA-N 305.208 5.227 30 50 DKEA CCOc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 5073294 PBGJXYCMCKJYMU-ONNFQVAWSA-N 321.203 5.288 30 50 DKEA O=C1C=C(Nc2ccc(Cl)cc2Cl)C[C@H](c2ccco2)C1 17028579 MKRVMPJGFCWINB-JTQLQIEISA-N 322.191 5.029 30 50 DKEA Cc1ccc(NC2=CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)cc1 8411943 BWPXHLQDZDKORO-HNNXBMFYSA-N 311.812 5.091 30 50 DKEA Fc1cccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)c1 43761158 RAVOYIWJSWNCBW-MTCNYLKESA-N 318.355 5.383 30 50 DKEA CCCCCCCCCCCCCCCCNC1CCCCC1 101016841 MSKIJGKALUZYJR-UHFFFAOYSA-N 323.609 7.390 30 50 DKEA CC1(C)OB(C=C2CCCCCCCCCCC2)OC1(C)C 307056502 CGXLBBNPOBRFGP-UHFFFAOYSA-N 306.299 5.849 30 50 DKEA Cc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(Cl)cc1 18068452 ZSEUHBDGPMICLR-CMDGGOBGSA-N 306.192 5.110 30 50 DKEA CCCCCCCCCCNCC12CC3CC(CC(C3)C1)C2 1857781958 YSPGJCIRDUCEOT-UHFFFAOYSA-N 305.550 5.933 30 50 DKEA [N-]=[N+]=Nc1ccccc1C(=O)/C=C/c1c(F)cccc1Cl 1857783627 GLWKSZBHDVNELR-CMDGGOBGSA-N 301.708 5.317 30 50 DKEA O=C(/C=C\c1ccc(Cl)cc1)/C=C/c1ccc(Cl)cc1 4830013 KKVCZNHIJHTDFP-JTAXDKCCSA-N 303.188 5.289 30 50 DKEA O=C(/C=C/c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 4119160 YHFXVZDDZVJFAN-NTEUORMPSA-N 318.803 5.903 30 50 DKEA biogenic,in-vitro CC1=C(O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1 299817724 PWDNWMSVYWFLTF-ZAAXVRCTSA-N 316.441 5.076 30 50 DKEA biogenic Cc1ccc(C)n1-c1oc(-c2ccco2)c(-c2ccco2)c1C#N 470038 INTBJQKIILZJHH-UHFFFAOYSA-N 318.332 5.079 30 50 DKEA Cc1ccsc1/C=C1\C(=O)c2ccccc2[C@H]1c1ccccc1 12955567 RBZTXSSTTRDXMK-MTGKDYNDSA-N 316.425 5.468 30 50 DKEA O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 6512008 WVBCDPQRDWBQMN-FPYGCLRLSA-N 311.595 5.543 30 50 DKEA CCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 19074670 XHSYKSDZHRVXHX-UHFFFAOYSA-N 311.428 6.235 30 50 DKEA Clc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 2162230 HOHQLVDJBCZMFQ-OEAKJJBVSA-N 315.803 6.397 30 50 DKEA CCCCCCCCCC(=O)N[C@H](C)CCc1ccccc1 100720105 QUHAEVREYFTQBP-GOSISDBHSA-N 303.490 5.265 30 50 DKEA CC(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 5047661 UIBYFMPXJVYQOJ-UDWIEESQSA-N 321.449 5.380 30 50 DKEA CCCCCCCCCCCCSC[C@H](O)c1ccccc1 100853126 CHSJLMSPDJLMHX-FQEVSTJZSA-N 322.558 6.374 30 50 DKEA Fc1ccc(C=Nc2ccc(N=Cc3ccc(F)cc3)cc2)cc1 254698164 PXLVXXHBFOCRHF-UHFFFAOYSA-N 320.342 5.466 30 50 DKEA C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)c2ccccc2)c1 258275 RYGXJUCRSHZWMB-MRXNPFEDSA-N 322.452 5.015 30 50 DKEA C=CCCCCCCCCCOC(=O)C(C)(C)Br 59571813 RHLOSBPISIVGMQ-UHFFFAOYSA-N 319.283 5.010 30 50 DKEA CCCOc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 86040944 MKBMDAGZXZEMDJ-VXLYETTFSA-N 324.207 5.238 30 50 DKEA CCCCCCCCCCCCCCCC[S@@](=O)CCO 100816012 KTTREPDTUQWRAK-NRFANRHFSA-N 318.567 5.209 30 50 DKEA CCCCCCCCCC(=O)Nc1nc(C(C)(C)C)cs1 2772505 DGSMVMUFCMDOHX-UHFFFAOYSA-N 310.507 5.520 30 50 DKEA N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl 27105797 JHNRTPKGSCVKKC-UHFFFAOYSA-N 303.792 5.198 30 50 DKEA in-vitro CC/C(=N\c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 5499184 XUBHAPVOBQSZML-KGENOOAVSA-N 311.734 5.890 30 50 DKEA FC(F)(F)c1ccc(Cl)cc1/N=C/c1ccc(Cl)cc1 6828973 RXJKCDCZRHJSAO-DNTJNYDQSA-N 318.125 5.763 30 50 DKEA Cc1ccc(-c2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)cc1 285427 SLWZIOISLNJPID-UHFFFAOYSA-N 310.356 5.198 30 50 DKEA SC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 4772909 HRNYKJZHPLCDLY-UHFFFAOYSA-N 318.485 5.383 30 50 DKEA Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1Cl 4818856 UKRDBBGXFWWHJG-PKNBQFBNSA-N 322.791 5.805 30 50 DKEA C=CCC[C@@H]1CC(=O)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@]12C 71786285 AUNZGUGHVSUOAK-QOLKULSZSA-N 302.502 5.957 30 50 DKEA C#CC[C@]1(Cc2ccccc2)[C@]2(C)[C@@H]3CC[C@H]3[C@@]21c1ccccc1 253596810 WFHGBYATWQTJSQ-DJCPXJLLSA-N 312.456 5.237 30 50 DKEA C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)c2ccccc2)c1 258272 RYGXJUCRSHZWMB-INIZCTEOSA-N 322.452 5.015 30 50 DKEA C[P+](C)(CCc1ccccc1)C12CC3CC(CC(C3)C1)C2 8383103 TYKIIHDXESVDKI-UHFFFAOYSA-N 301.434 5.475 30 50 DKEA C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]21C 1481964 ATXHVCQZZJYMCF-PZAQWVNCSA-N 300.486 5.256 30 50 DKEA biogenic,in-vivo Cc1ccc(/C=C2/CCC/C(=C\c3ccc(C)cc3)C2=O)cc1 1512686 CETXDHNPPYXEOF-TVGQLCNQSA-N 302.417 5.523 30 50 DKEA CCCCCCCCCCCCCC(=O)N[C@H]1CCC[C@H](C)C1 97950593 UNQBBIYMNVSXMB-PMACEKPBSA-N 323.565 6.382 30 50 DKEA CCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 100720228 DGRISQKOSNFNDS-UHFFFAOYSA-N 305.506 5.212 30 50 DKEA CC(=O)c1cccc(N=C(C)/C=C2\Sc3ccccc3N2C)c1 334156944 BPRZFHWVAJJMQH-GZMCSXHNSA-N 322.433 5.065 30 50 DKEA C/C(=C\C(=O)c1ccc(C)o1)Nc1cc(Cl)ccc1Cl 5060453 CSDFOPAGVGBDMT-VQHVLOKHSA-N 310.180 5.093 30 50 DKEA CCCCCCCCCCC/C(=N/O)c1ccc(CC)cc1 101481333 QBWBCYGNVVJFQP-MRCUWXFGSA-N 303.490 6.348 30 50 DKEA CCCCCCCCCCCCCCCC(=O)OCCCC 78073414 GLYJVQDYLFAUFC-UHFFFAOYSA-N 312.538 6.811 30 50 DKEA in-vitro CCCCCCCCCCCCCCCCOC(=O)[C@H](C)N 111874495 UCCMBYBOOAOUMZ-SFHVURJKSA-N 313.526 5.358 30 50 DKEA C=C(C)Cn1c(Cc2cccc3ccccc23)nc2ccccc21 1169212 BAVRGWPRFPYWTH-UHFFFAOYSA-N 312.416 5.356 30 50 DKEA CCN1C(=CC=Nc2ccccc2)Sc2ccc(Cl)cc21 1857666234 NUEASFRQKFDJLQ-UHFFFAOYSA-N 314.841 5.516 30 50 DKEA CC#CCCCCC[C@@H]1C=CC(=O)C[C@H]1CCCCC/C=C\C 1501069273 CKLSHPUPHCWBOX-MLCNVYOSSA-N 314.513 6.248 30 50 DKEA CCCCCCCCCCCCNC(=S)Nc1ccccc1 95698148 UXXVTHRQMWWTIR-UHFFFAOYSA-N 320.546 5.894 30 50 DKEA CCCCCCCCc1ccc2c(c1)Nc1ccccc1S2 106870973 KSXKPSYKCGZHHY-UHFFFAOYSA-N 311.494 6.798 30 50 DKEA CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1/C[C@H]3CC[C@@]1(C)C3(C)C)C2 252457122 BKQBIDOFONHMJM-PCFMGJPRSA-N 300.490 5.476 30 50 DKEA CC(C)c1cccc(C(C)C)c1NC(=O)Oc1ccc(C#N)cc1 398692 BPTKPNXXTHPWCD-UHFFFAOYSA-N 322.408 5.416 30 50 DKEA CCC/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1 43761283 IDRQMQVVWVAKMJ-HEHNFIMWSA-N 321.449 5.426 30 50 DKEA Brc1ccc(/C=N/c2ccc3ccccc3c2)cc1 3157974 ZKBFSKUQQHRGSH-XDHOZWIPSA-N 310.194 5.353 30 50 DKEA Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(O)c1 100031755 FGWAFVXSDJQNPJ-LCHYZJQESA-N 317.348 5.264 30 50 DKEA Clc1ccc(/N=C/C=C/C=C/Nc2ccc(Cl)cc2)cc1 17058520 WTWFKWTUCHNTRE-YTLURPJLSA-N 317.219 5.878 30 50 DKEA CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 38141462 CYDRXTMLKJDRQH-UHFFFAOYSA-N 304.542 6.184 30 50 DKEA in-man CCCCC/C=C/C=C1/C=CC(=O)[C@H]1C/C=C\CCCC(=O)O 100013080 BHHHGDAJJMEHST-OBJVHIDUSA-N 316.441 5.006 30 50 DKEA in-vitro O=[N+]([O-])c1ccc(/C=N/[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 245239722 AGNSXOBSVWJNTP-VVCFHKFESA-N 324.424 5.073 30 50 DKEA O=C(Nc1ccccc1)ON=C1CCCCCCCCCCC1 4785999 FXUCKCULMNTSJB-UHFFFAOYSA-N 316.445 5.896 30 50 DKEA SCCCCCCOc1cccc(Oc2ccccc2)c1 3876714 QIRZPDPOOMSPOL-UHFFFAOYSA-N 302.439 5.348 30 50 DKEA CC[C@@H](C)c1ccc(N/C(S)=N\Cc2cccs2)cc1 13468948 FQDHBVVZKPNTAE-GFCCVEGCSA-N 304.484 5.160 30 50 DKEA N#CC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](C#N)c1ccccc1 4531603 DYXQKXLCFUJXBN-GJZGRUSLSA-N 315.203 5.298 30 50 DKEA CCCCCCCCCCCCCCCC[n+]1ccccc1 6845963 NEUSVAOJNUQRTM-UHFFFAOYSA-N 304.542 6.455 30 50 DKEA fda CCCCC[C@@H]1O[C@@H]1C/C=C/CCCCCCCC(=O)OC 4544121 JTSVQVYMBXVLFI-HZOVXUMNSA-N 310.478 5.184 30 50 DKEA Cc1ccc(/C=N/c2ccc(/N=C/c3ccc(C)cc3)cc2)cc1 4775383 IQWRVVPHAFGFTN-DFEHQXHXSA-N 312.416 5.805 30 50 DKEA Cc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c(C)c1 5681514 FTZODRRTPJCCJE-CMDGGOBGSA-N 304.311 5.218 30 50 DKEA CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\Nc1cccc2ccccc12 25758557 RFIFCGHQPVORJB-VCRGWNTBSA-N 305.421 5.161 30 50 DKEA CCc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 2163910 TWGYIZROIIASHF-LFVJCYFKSA-N 309.412 6.306 30 50 DKEA CCCCC[C@H]1O[C@H]1C/C=C/CCCCCCCC(=O)OC 4544115 JTSVQVYMBXVLFI-KQSNUMSTSA-N 310.478 5.184 30 50 DKEA Fc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1 33685613 IHGJDEDZGVMUGG-MTCNYLKESA-N 318.355 5.383 30 50 DKEA CCCCCCCCCCCC(=O)OC/C=C/c1ccccc1 102315560 FHHZWLWUDOEYFV-SAPNQHFASA-N 316.485 6.164 30 50 DKEA Cc1noc(C)c1/C=C/C(=O)c1ccccc1SC(C)(C)C 328594300 XEMTZNKZMDLRFO-ZHACJKMWSA-N 315.438 5.078 30 50 DKEA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccs1 5059358 MKSMRBDQELHEBO-JLHYYAGUSA-N 320.413 5.223 30 50 DKEA O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccccc1O 4582923 IQBCAXKWFWUTKA-BUHFOSPRSA-N 324.379 5.595 30 50 DKEA C#Cc1ccc(N(c2ccc(C#C)cc2)c2ccc(C#C)cc2)cc1 21989750 QGICIDGCKPUALM-UHFFFAOYSA-N 317.391 5.100 30 50 DKEA O=C1CCCC2=C1[C@H](c1ccco1)Nc1ccc3ccccc3c12 128597 XBYFNXHXLBSRSE-NRFANRHFSA-N 315.372 5.106 30 50 DKEA CC(C)(C)c1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2)cc1 1776110927 RDNHGHIACJNNIJ-OUKQBFOZSA-N 313.828 5.446 30 50 DKEA Cc1ccc(CSc2nc(-c3cccs3)ccc2C#N)cc1 62993 ZYMQYFITHWPSRJ-UHFFFAOYSA-N 322.458 5.283 30 50 DKEA N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 225726 YAYWPFSQXVXAMU-UHFFFAOYSA-N 312.328 5.015 30 50 DKEA C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CS1 253499540 JFDOJKGTOKPEKW-MILMJNAHSA-N 316.510 5.004 30 50 DKEA biogenic CN1/C(=C/C=Nc2ccccc2Cl)C(C)(C)c2ccccc21 334157148 INLNRLHCCRTOEN-DCADJGDDSA-N 310.828 5.354 30 50 DKEA Cc1ccc(-c2ccc(Oc3ccc(C#N)c(C#N)c3)c(C)c2)cc1 190280 JOEZTWVOIGQGQF-UHFFFAOYSA-N 324.383 5.506 30 50 DKEA CCCCCCCC/C=C\CCCCCCCC(=O)OCC 8214560 LVGKNOAMLMIIKO-QXMHVHEDSA-N 310.522 6.587 30 50 DKEA biogenic,in-man CCCCCCCCCCCCCCc1ccc2[nH]nnc2c1 103004589 PSAVRBKGXCNENB-UHFFFAOYSA-N 315.505 6.202 30 50 DKEA Cc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(C)cc3)C2=O)cc1 3895002 AWIXCJRHONZOBA-NNFYUIBOSA-N 316.444 5.769 30 50 DKEA CCCCCCCC/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O 8860436 LSADDRSUZRRBAN-VFCFMWGNSA-N 322.489 5.412 30 50 DKEA in-vitro CCCCCCCC/C=C/CCCCCCCC1=NCCO1 95722237 SOTODSFNXCLCGH-MDZDMXLPSA-N 307.522 6.453 30 50 DKEA CCCCCCCCCCCCCCC[C@H](O)c1ccccc1 101014078 DYVZWVFBXNGQEC-QFIPXVFZSA-N 318.545 7.201 30 50 DKEA CCCCCC/C=C\CCCCCCCCOS(C)(=O)=O 60292309 SNUPNOSJSJKCJM-HJWRWDBZSA-N 318.523 5.220 30 50 DKEA COc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 2170854 LTNJYWIBNCTNJZ-HZHRSRAPSA-N 311.384 5.752 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCC)cc1O 202695873 WBRXESQKGXYDOL-DLBZAZTESA-N 300.442 5.456 30 50 DKEA CCOc1ccccc1N/C=C\C(=O)c1ccc(C(C)(C)C)cc1 1776111321 ORGKXXAMSTVULU-PFONDFGASA-N 323.436 5.191 30 50 DKEA Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)c(O)c1 65593 KAUDRZWNJVWMDN-HYARGMPZSA-N 317.388 5.030 30 50 DKEA Cc1ccc([C@H](C#N)CC(=O)c2ccc(Cl)c(Cl)c2)cc1 1397687 NMZAREOWKLMMHR-AWEZNQCLSA-N 318.203 5.182 30 50 DKEA CC(=N/Nc1nc2ccccc2s1)/N=N/c1ccccc1C 4948768 SYPJWKPTFBNSGQ-JLKBWNLUSA-N 309.398 5.134 30 50 DKEA C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 2863400 IGLSGJNUJLTZTM-OAHLLOKOSA-N 316.429 5.474 30 50 DKEA CCCCC#Cc1cccc(NC(=O)c2cccc(Cl)c2)c1 4092922 HNIYJIYURRPDIK-UHFFFAOYSA-N 311.812 5.134 30 50 DKEA CCCCCCCCC(CCCCCCCC)c1ccncc1 102996985 FKJUROHLFBAGBU-UHFFFAOYSA-N 317.561 7.666 30 50 DKEA CCCCCCCCc1c[nH]cc1C(=O)CCCCCCC 100661266 HDTJBLDLLLPGAD-UHFFFAOYSA-N 305.506 6.461 30 50 DKEA C=CCOc1ccccc1CN(CCCC)Cc1ccccc1 2893916 CMFWFWMWZVCPAC-UHFFFAOYSA-N 309.453 5.054 30 50 DKEA Fc1ccc(/N=C/c2ccc(/C=N/c3ccc(F)cc3)cc2)cc1 100003975 VBCDABROGMPOGB-RNIAWFEPSA-N 320.342 5.466 30 50 DKEA in-vitro N#CC[C@@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1Cl 401076 XJMPIDDNARIXKG-GOEBONIOSA-N 315.203 5.298 30 50 DKEA N#Cc1sc2ccccc2c1OCc1c(F)cccc1Cl 1383221 KXIWZVWCTBAVOX-UHFFFAOYSA-N 317.772 5.144 30 50 DKEA Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 3462099 MBVLIDUAGKTFES-LPYMAVHISA-N 316.791 5.192 30 50 DKEA Cc1ccc(Sc2nccc(-c3ccc(F)cc3)c2C#N)cc1 1403525 VXOYDINGFPVEBR-UHFFFAOYSA-N 320.392 5.219 30 50 DKEA Cc1ccc(N/N=C(\N=N\c2ccccc2)c2ccccc2)cc1 5217502 FTNMMFPAUKWAQX-VRUPRMQOSA-N 314.392 5.553 30 50 DKEA Brc1ccc(/C=N/c2cccc3ccccc23)cc1 95919528 ZKTOXVZLKHNPHC-XDHOZWIPSA-N 310.194 5.353 30 50 DKEA CC(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 2165967 YPEKVBHDIMZUOU-KAVGSWPWSA-N 318.460 6.229 30 50 DKEA Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 2561542 ZOHRJWZZEQOYQG-UHFFFAOYSA-N 311.384 5.172 30 50 DKEA CCCCCCCCCCCCNC(=O)c1ccccc1F 100723057 ZENYMPSHWMCYNF-UHFFFAOYSA-N 307.453 5.476 30 50 DKEA CCCCCC/C=C\CCCCCCCCCCCC(=O)OC 100173942 XQXARCJTXXEQEX-HJWRWDBZSA-N 324.549 6.977 30 50 DKEA CCCCCCCCSc1ccc(C(=O)CCN(C)C)cc1 2921275 QDCJUPAWAVWHNG-UHFFFAOYSA-N 321.530 5.274 30 50 DKEA CCCCCCCCc1ccc(-c2ccc(O)c(F)c2)nc1 2921584 DOTLVJLGYNZTHV-UHFFFAOYSA-N 301.405 5.496 30 50 DKEA CC(C)c1ccc([C@@H](C)/N=C(/S)NC2CCCCC2)cc1 13931890 UFPGJQDSAYXGQJ-CQSZACIVSA-N 304.503 5.079 30 50 DKEA CSc1nc2ccc(/N=C/c3cccc(Cl)c3)cc2s1 51963 AUATUVRJLKKLCB-RQZCQDPDSA-N 318.854 5.422 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C1CC(C)(C)CNc1ccccc1OC 1230809 SQASTBBIRCXNIQ-KRWDZBQOSA-N 313.485 5.826 30 50 DKEA Cc1ccc(Sc2nc(-c3ccccc3)ccc2C#N)cc1 3128230 SOKAINBZQVMDFB-UHFFFAOYSA-N 302.402 5.080 30 50 DKEA CCN1/C(=C/C(C)=N\Cc2ccccc2)Sc2ccccc21 334157135 BKIFMBDBBCZGIW-RNPIJBDESA-N 308.450 5.121 30 50 DKEA Cc1nc(SCc2ccc(Cl)cc2)c(C#N)c(C)c1Cl 109046 IRXQFHLOCRPUTH-UHFFFAOYSA-N 323.248 5.169 30 50 DKEA CCCCCCCCCCCCCCC(=O)c1ccccc1 80480452 SDNCECLJQYEDRK-UHFFFAOYSA-N 302.502 6.961 30 50 DKEA CCCCCCCCOc1ccc(C(=O)c2ccccc2)cc1 2169079 WTJWFFXZUSGGKB-UHFFFAOYSA-N 310.437 5.657 30 50 DKEA CCCCCCCCc1ccc(-c2ccc(/C(N)=N/O)cc2)cc1 59721967 VVROJRYBOURQCI-UHFFFAOYSA-N 324.468 5.351 30 50 DKEA CCCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 59796857 GLGZJMAYDWXROS-UHFFFAOYSA-N 319.492 6.908 30 50 DKEA N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl 1397647 FNTBAGYZSZACMP-NSHDSACASA-N 322.166 5.013 30 50 DKEA O=C(/C=C/c1cccc2ccccc12)c1cccc2ccccc12 5280493 WXTUPKOMTOZRJM-FOCLMDBBSA-N 308.380 5.889 30 50 DKEA CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 59796856 REDSMJNHKIHBTE-UHFFFAOYSA-N 305.465 6.518 30 50 DKEA N#Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl 85476863 NDYSHKDYRSHPNA-UHFFFAOYSA-N 319.791 5.458 30 50 DKEA in-vitro Clc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 2162252 GEDARKPRBPDLKI-OEAKJJBVSA-N 315.803 6.397 30 50 DKEA CCCCCCCCCCC=C(c1ccccc1)c1ccccc1 2170601 YHOLYATXLIYDBK-UHFFFAOYSA-N 320.520 7.649 30 50 DKEA O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccs1 4076135 YUDCWXUALNODNN-SOFGYWHQSA-N 314.793 5.558 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O 4097406 QHMBSVQNZZTUGM-ZWKOTPCHSA-N 314.469 5.847 30 50 DKEA biogenic,world O=C(ON=C1CCCCCCCCCCC1)c1cccs1 4118222 HNPDKOCIWSFLJR-UHFFFAOYSA-N 307.459 5.566 30 50 DKEA Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cc1Cl 252438253 MTRUHQDIVVUTJS-UHFFFAOYSA-N 316.187 5.603 30 50 DKEA C=CC(=O)OCCCCCCCCCCCCCCCCCC 59206515 FSAJWMJJORKPKS-UHFFFAOYSA-N 324.549 6.977 30 50 DKEA CCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 8218086 KIHBGTRZFAVZRV-QGZVFWFLSA-N 300.483 5.303 30 50 DKEA biogenic,in-vitro Cc1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 12954291 DEDMDBCEBICOKW-GYZZIOIESA-N 310.396 5.407 30 50 DKEA CCCCCCCCCCCCCCCCCC(=O)OCC 64858945 MVLVMROFTAUDAG-UHFFFAOYSA-N 312.538 6.811 30 50 DKEA endogenous,in-man Clc1ccc(/N=C/c2ccc(Cl)c(Cl)c2)c(Cl)c1 2171304 MAMVSIPIKHCFON-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA Cc1cccc(C)c1N/C=C/C(=O)c1ccc(Cl)cc1Cl 458687 VDOCTLHAMASMHX-CMDGGOBGSA-N 320.219 5.419 30 50 DKEA Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2ccccc2c1 100926 GNFJMQNESQPFMJ-KEBDBYFISA-N 316.187 5.603 30 50 DKEA CCCCCCCCCCCCP(=O)(OCC)OCC 95682169 LRIWHHSVZCKNJL-UHFFFAOYSA-N 306.427 6.173 30 50 DKEA CCCCCCCCCCCC(=O)CCCCCCCCC 101018651 NVKMYPHYGJYFDX-UHFFFAOYSA-N 310.566 7.617 30 50 DKEA N#Cc1ccc(-c2cccs2)nc1SCCc1ccccc1 33194 QYZDYCLBYZMQCJ-UHFFFAOYSA-N 322.458 5.017 30 50 DKEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C/C(=C\O)C2=O 257346068 QDATXTHLLOKPTJ-XKCIRZEPSA-N 302.458 5.040 30 50 DKEA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CC#N 118916437 JPDIISCNKYBMAY-URNIPBEBSA-N 315.501 5.064 30 50 DKEA C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CC#N 252346917 JPDIISCNKYBMAY-LTGKAUERSA-N 315.501 5.064 30 50 DKEA CCCCCCCC/C=C/CCCCCCCC(=O)OCC 59868199 LVGKNOAMLMIIKO-VAWYXSNFSA-N 310.522 6.587 30 50 DKEA endogenous,in-man CCCCCCCC[P+](CCCC)(CCCC)CCCC 100019442 KEHGIVWHHBDQAD-UHFFFAOYSA-N 315.546 7.765 30 50 DKEA in-vitro Oc1ccccc1/C=N/c1c(Cl)cc(Cl)cc1Cl 17128757 YDRZYEMILXPXEN-REZTVBANSA-N 300.572 5.103 30 50 DKEA CCCCCCCCCCCCNC(=O)/C=C/c1ccccc1 102300372 VPKCYQSDPRKOHT-ISLYRVAYSA-N 315.501 5.737 30 50 DKEA Cc1ccc([C@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 8829710 UGGKCIDKXJHTRS-OAHLLOKOSA-N 311.812 5.091 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1ccccn1 97976938 NFXUBWBSRKZSDG-UHFFFAOYSA-N 304.478 5.721 30 50 DKEA C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CC#N 253566979 JPDIISCNKYBMAY-UMKHLJCSSA-N 315.501 5.064 30 50 DKEA CCCCCCCCCCOc1ccc(/C=C\[N+](=O)[O-])cc1 104207398 PPPOXKGZLFCWTM-PFONDFGASA-N 305.418 5.454 30 50 DKEA Cc1ccc(/C=C/C(=O)CCc2c(Cl)cccc2Cl)cc1 1386443 GLPJMWVOFMACHH-MDZDMXLPSA-N 319.231 5.517 30 50 DKEA CCCCCCCCCCCCSc1nnc(S)s1 95725657 WSYQMMUOSGMAAH-UHFFFAOYSA-N 318.577 5.840 30 50 DKEA Oc1ccc2ccccc2c1C=Nc1cccc(Cl)c1Cl 254414028 GPKDOQXGDFCIMD-UHFFFAOYSA-N 316.187 5.603 30 50 DKEA Cc1cccc(N/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1C 1776110926 NOAOCFBIYXUFOP-BUHFOSPRSA-N 307.437 5.409 30 50 DKEA CC(C)=NNc1nc(-c2ccccc2)c(-c2ccccc2)s1 3898795 VOMIMUWZRONIPP-UHFFFAOYSA-N 307.422 5.285 30 50 DKEA C=C1C[C@H](C(C)(C)C)CC[C@@H]1CC1=CCC[C@@H](C(C)(C)C)C1 216509574 SXQFLUWSDWZUOG-VAMGGRTRSA-N 302.546 7.168 30 50 DKEA c1ccc(N=NC(=NNc2ccccc2)c2ccccc2)cc1 257350946 BEIHVSJTPTXQGB-UHFFFAOYSA-N 300.365 5.244 30 50 DKEA CCCCCCCC/C=C\CCCCCCCC(OC)OC 49877343 WBNMCUYSZJIEFY-QXMHVHEDSA-N 312.538 6.643 30 50 DKEA CCCCCCCCCCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 97950594 UNQBBIYMNVSXMB-WOJBJXKFSA-N 323.565 6.382 30 50 DKEA N#Cc1ccc(CSc2cccc3cccnc23)c(Cl)c1 438884081 FJTAOBXHVZNYPR-UHFFFAOYSA-N 310.809 5.052 30 50 DKEA C=C1C[C@H](C(C)(C)C)CC[C@H]1CC1=CCC[C@@H](C(C)(C)C)C1 216509625 SXQFLUWSDWZUOG-XUVXKRRUSA-N 302.546 7.168 30 50 DKEA Clc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 286741 HJXJEJOFDNJFLI-KGENOOAVSA-N 306.796 5.834 30 50 DKEA O=C(/C=C/Nc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 304373 NJXFGMRWXBFVFA-CCEZHUSRSA-N 317.363 5.301 30 50 DKEA O=C1/C(=C\C=C(Cl)Cl)CCC/C1=C/C=C(Cl)Cl 4532477 YDVJEVKUBWVGQB-XEQVNJCQSA-N 312.023 5.230 30 50 DKEA Oc1ccc2ccccc2c1/C(=N/c1ccccc1)c1ccccc1 15771466 QYWDKWVJUNCOKP-WCWDXBQESA-N 323.395 5.715 30 50 DKEA CCCCCCCCCCCCCCC[C@@H](O)c1ccccc1 101014081 DYVZWVFBXNGQEC-JOCHJYFZSA-N 318.545 7.201 30 50 DKEA O=C(/C=C/c1c(O)ccc2ccccc12)c1cccc2ccccc12 5739886 UTJPXWFTKSJOMT-FYWRMAATSA-N 324.379 5.595 30 50 DKEA CCCCCc1nc(N)c(C#N)c(-c2ccccc2)c1CCCC 19608432 YJGWMOOGZXCRAS-UHFFFAOYSA-N 321.468 5.278 30 50 DKEA CCCCCCCCCCCCCC(=O)N[C@H]1CCC[C@@H](C)C1 97950595 UNQBBIYMNVSXMB-UXHICEINSA-N 323.565 6.382 30 50 DKEA Cc1cccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 1151677 NNACYQNFKORHFN-CCEZHUSRSA-N 313.400 5.471 30 50 DKEA CCCCCCCCCCCCCC(=O)N[C@@H]1CCC[C@H](C)C1 97950592 UNQBBIYMNVSXMB-VQTJNVASSA-N 323.565 6.382 30 50 DKEA CCCCCCCCCCCCCCOc1ccccc1N 100050460 IXZBAJOADDIGIP-UHFFFAOYSA-N 305.506 6.349 30 50 DKEA C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@]21C 253590023 ATXHVCQZZJYMCF-NJCPFYPZSA-N 300.486 5.256 30 50 DKEA in-vivo CCCCCCCC/C=C\CCCCCCCC(=O)NCC 43408945 JZJYYCFYGXPUMF-QXMHVHEDSA-N 309.538 6.160 30 50 DKEA in-vitro O=C1CCCC2=C1[C@@H](c1ccco1)Nc1ccc3ccccc3c12 128596 XBYFNXHXLBSRSE-OAQYLSRUSA-N 315.372 5.106 30 50 DKEA O=C(/C=C/c1c(O)ccc2ccccc12)c1ccccc1Cl 6576411 ZOQFHGVWYHPQPE-ZRDIBKRKSA-N 308.764 5.095 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1cccc(C)n1 8452201 GMASNHZOJZWUAD-UHFFFAOYSA-N 318.505 6.030 30 50 DKEA Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)cc3)cc2)cc1 254303986 ROQLXPPNAATARP-UHFFFAOYSA-N 312.416 5.805 30 50 DKEA CC(C)c1ccc(/C=C\C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 33794282 YPEKVBHDIMZUOU-VULZFCBJSA-N 318.460 6.229 30 50 DKEA C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C 169295723 YGBZFOQXPOGACY-DTOITAGASA-N 302.458 5.372 30 50 DKEA biogenic Clc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 254835559 DODPHFHLGDVPDB-UHFFFAOYSA-N 319.795 6.506 30 50 DKEA CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O 4629855 YGJTUEISKATQSM-USWFWKISSA-N 318.457 5.396 30 50 DKEA endogenous,in-man C(C#CC12CC3CC(CC(C3)C1)C2)#CC12CC3CC(CC(C3)C1)C2 71782778 FVJFTBQVSMAHAF-UHFFFAOYSA-N 318.504 5.426 30 50 DKEA CCCCCCCCCCCC(=O)CCCCCC(=O)OC 86037974 QTHPCXRUUSTYCU-UHFFFAOYSA-N 312.494 5.600 30 50 DKEA in-vitro O=C1CCCC(O)=C1Sc1cc(Cl)c(Cl)cc1Cl 332163 NXVWITREHUPVLB-UHFFFAOYSA-N 323.628 5.262 30 50 DKEA CCCCCCCCCCCCCCSc1ccccc1 100853134 HIHGRCDWSHQXIZ-UHFFFAOYSA-N 306.559 7.480 30 50 DKEA C=CCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 253595872 JZBZILTUIHGIMB-ILHTXMRTSA-N 314.513 5.911 30 50 DKEA CCCCCCCCCCCCCCCCCC1=NCCN1 43064916 NCVGSSQICKMAIA-UHFFFAOYSA-N 308.554 6.250 30 50 DKEA in-vitro CCCCCCCC/C=C\CCCCCCCCOC(N)=O 100168573 UUBUNFOPMSFGBM-KTKRTIGZSA-N 311.510 6.119 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1ccncc1 100734655 XPUYHZUUFBXZFH-UHFFFAOYSA-N 304.478 5.721 30 50 DKEA CN1C(=CC=Nc2ccccc2Cl)C(C)(C)c2ccccc21 1848813161 INLNRLHCCRTOEN-UHFFFAOYSA-N 310.828 5.354 30 50 DKEA CCCCCCCCCCCCCCCCC1CCCCC1 78366700 NRHBFNBZAZZTAU-UHFFFAOYSA-N 308.594 8.438 30 50 DKEA in-vitro COc1ccccc1Oc1ccc(/N=C/c2ccc(C)cc2)cc1 17836882 ALJLLJURBVOYOA-PXLXIMEGSA-N 317.388 5.547 30 50 DKEA C#CC[C@]1(Cc2ccccc2)[C@]2(C)[C@@H]3CC[C@@H]3[C@]21c1ccccc1 230118290 WFHGBYATWQTJSQ-LYCSZFELSA-N 312.456 5.237 30 50 DKEA C=CCC1=C(O)C[C@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@H]2C1 242547859 KWSVAQRMAWYJRC-FOLJNWBTSA-N 300.486 6.027 30 50 DKEA CN(C)c1ccc(/C=N/[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 245312329 UJOMJJHNDJDJKO-KWQNJKCNSA-N 322.496 5.231 30 50 DKEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\O)C2=O 254387441 QDATXTHLLOKPTJ-ZXINXMSMSA-N 302.458 5.040 30 50 DKEA O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 4582779 UNMRSNMNIOEKID-CMDGGOBGSA-N 311.595 5.543 30 50 DKEA [N-]=[N+]=Nc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 205291486 IXXGAQKPFTVNHD-FPYGCLRLSA-N 323.337 5.317 30 50 DKEA C=C1C[C@H](C(C)(C)C)CC[C@H]1CC1=CCC[C@H](C(C)(C)C)C1 101081792 SXQFLUWSDWZUOG-SLFFLAALSA-N 302.546 7.168 30 50 DKEA Cc1noc(/C=C\c2ccccc2)c1/N=C/C=C/c1ccccc1 4557260 YNQDRYLGPJQGDJ-BLFQAFLFSA-N 314.388 5.569 30 50 DKEA CC(C)=NNc1nc(-c2ccc(-c3ccccc3)cc2)cs1 34132837 AHAXKFQGWFJNJY-UHFFFAOYSA-N 307.422 5.285 30 50 DKEA CCCCCCCCCCCCCCCC[C@H](O)C(=O)O 8218101 KIHBGTRZFAVZRV-KRWDZBQOSA-N 300.483 5.303 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCNC(=O)c1ccccc1C 100659199 XRYLDGOLLFYWOB-UHFFFAOYSA-N 303.490 5.646 30 50 DKEA CCCCCCCCCCOC(=O)Nc1ccc(Cl)cc1 3667139 CLAIQECQUBKOJH-UHFFFAOYSA-N 311.853 6.029 30 50 DKEA N#Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl 85476881 OMSIWQJLJUKVBO-UHFFFAOYSA-N 319.791 5.458 30 50 DKEA in-vitro N#Cc1c(SC2CCCC2)nc(-c2ccccc2)c2c1CCC2 1384154 RVFLSLQCIORTQS-UHFFFAOYSA-N 320.461 5.144 30 50 DKEA C/C(=C\C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 6492604 NXPRNNYQKUBDLW-PKNBQFBNSA-N 306.192 5.192 30 50 DKEA CCCCCCCCCCCCCCCCCCNC(N)=O 100004895 GJNDMSSZEBNLPU-UHFFFAOYSA-N 312.542 5.916 30 50 DKEA CCCCCCCCCCNC(=O)c1cccc2ccccc12 97977013 YMEGMYZEUUEARM-UHFFFAOYSA-N 311.469 5.710 30 50 DKEA C[C@@H](/N=C(/S)NC1CCC(C(C)(C)C)CC1)c1ccccc1 13775349 IKWHHUWNUJJULQ-ODIFPOPNSA-N 318.530 5.228 30 50 DKEA CCCCCCCCCCCCCCCC[N+](C)(C)CCO 38158019 UENRCAFKOCYSLM-UHFFFAOYSA-N 314.578 5.536 30 50 DKEA CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC 60292035 CAMHHLOGFDZBBG-ROUUACIJSA-N 312.494 5.408 30 50 DKEA CCCCCCCc1ccc(-c2noc(CCCCC)n2)cc1 2493570 VLGYXZPBAUPVHV-UHFFFAOYSA-N 314.473 5.982 30 50 DKEA CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O 5972962 VHRUMKCAEVRUBK-GODQJPCRSA-N 316.441 5.006 30 50 DKEA endogenous,in-man Cc1cc(C)cc(Oc2nc(-c3ccc(F)cc3)ccc2C#N)c1 3128343 ZQWSEDUVNOAOJT-UHFFFAOYSA-N 318.351 5.169 30 50 DKEA CCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1640161 DCCPZTFQVSVVJP-UHFFFAOYSA-N 321.770 5.658 30 50 DKEA CCCCCCCCCCCCCCC[C@@H](O)CCN(C)C 100684596 CJVPWFLKYKHHFW-HXUWFJFHSA-N 313.570 5.780 30 50 DKEA C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCC)cc1OC2(C)C 5821097 AOYYFUGUUIRBML-IAGOWNOFSA-N 314.469 5.736 30 50 DKEA in-vitro CCCCOc1ccc(/C=N/c2ccc(C(=O)CC)cc2)cc1 2166591 PXEIVJVGUNPTNB-RCCKNPSSSA-N 309.409 5.209 30 50 DKEA N#CC[C@H](c1ccccc1)[C@H](C#N)c1cc(Cl)ccc1Cl 401097 XANPCKLAIPOZMN-ZBFHGGJFSA-N 315.203 5.298 30 50 DKEA C=COC(=O)CCCCCCCCCCCCCCCCC 59766779 AFSIMBWBBOJPJG-UHFFFAOYSA-N 310.522 6.935 30 50 DKEA in-vitro CCCCCCCCCCCCOC(=O)[C@H](CC)CCCC 111399916 YLKDIPABJFXZRY-LJQANCHMSA-N 312.538 6.667 30 50 DKEA CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\C[C@H]3CC[C@@]1(C)C3(C)C)C2 104263026 BKQBIDOFONHMJM-JNYTUJJBSA-N 300.490 5.476 30 50 DKEA CCCCC/C=C/C=C1/C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 27639049 BHHHGDAJJMEHST-NBIYZLHXSA-N 316.441 5.006 30 50 DKEA in-vitro Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1Cl 100105845 HJTOWFJSSOBDEJ-CNHKJKLMSA-N 314.599 5.411 30 50 DKEA CCCCCCCC(=O)Oc1ccc(C2SCCS2)cc1 2534621 ZPIDYXHPFGSNPQ-UHFFFAOYSA-N 324.511 5.431 30 50 DKEA CCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1 100816024 UWKLNEYVPVAWKD-UHFFFAOYSA-N 318.505 6.037 30 50 DKEA C=C1C[C@H](C(C)(C)C)CC[C@@H]1CC1=CCC[C@H](C(C)(C)C)C1 101081785 SXQFLUWSDWZUOG-HSALFYBXSA-N 302.546 7.168 30 50 DKEA CCCCCCCCCCCCCCCCP(C)(C)=O 100937946 ATIFDPMZFAVQLR-UHFFFAOYSA-N 302.483 7.090 30 50 DKEA CCCCCCCCN[C@@H](c1ccccc1)c1ccc(C)cc1 103010906 YYARSJHQICBBKC-QFIPXVFZSA-N 309.497 6.035 30 50 DKEA CCCSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 17440989 ODBCHALAJONZBI-UHFFFAOYSA-N 322.355 5.141 30 50 DKEA C=C(C)[C@H]1CC[C@@H](C)C[C@H]1c1c(O)cc(CCCCC)cc1O 27644458 CODIXLGYYWMJFS-KBAYOESNSA-N 316.485 5.926 30 50 DKEA in-vitro Brc1ccc(/C=N\c2cccc3ccccc23)cc1 121146 ZKTOXVZLKHNPHC-UNOMPAQXSA-N 310.194 5.353 30 50 DKEA C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cc(C)ccc1Cl 5091970 GUAJJBLORICASA-ZRDIBKRKSA-N 320.219 5.500 30 50 DKEA Clc1ccc(Cl)c(/N=C/c2ccc(Cl)c(Cl)c2)c1 2171260 SGTAKOMEFRNOJB-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA Oc1ccccc1C=Nc1ccc(N=Nc2ccccc2)cc1 254846142 JXHFGNGOTPNMRT-UHFFFAOYSA-N 301.349 5.558 30 50 DKEA N#Cc1ccc(Sc2cccc(Br)c2)cc1Cl 110354519 YQMWVKZSDIXCJS-UHFFFAOYSA-N 324.630 5.125 30 50 DKEA Cc1ccc(/C=C2\C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 1383475 DEDMDBCEBICOKW-PHCAOYFPSA-N 310.396 5.407 30 50 DKEA CCCCCCCCCc1ccc(Oc2ccccc2C=O)cc1 2576485 USKNEHHWGYJIGX-UHFFFAOYSA-N 324.464 6.585 30 50 DKEA COc1ccc2nc(/C=C/c3ccc(N=[N+]=[N-])cc3)sc2c1 205291466 ZOEXSFZBSQSYDV-RUDMXATFSA-N 308.366 5.417 30 50 DKEA Cc1cc(C)c(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 934695 CXUDVQRXKNIPTN-UHFFFAOYSA-N 323.248 5.169 30 50 DKEA N#CC[C@@H](c1ccccc1)[C@H](C#N)c1cc(Cl)ccc1Cl 401098 XANPCKLAIPOZMN-HOCLYGCPSA-N 315.203 5.298 30 50 DKEA COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 286732 UZHJNCXBIFZONK-RCCKNPSSSA-N 302.377 5.189 30 50 DKEA CCCCCCCCCCCCCCCCCC(OC)OC 140873556 YDFMLZBWAXMUEX-UHFFFAOYSA-N 314.554 6.867 30 50 DKEA O=C(/C=C/c1ccc(Cl)cc1)Sc1ccc(Cl)cc1 6863152 GEGREPKCSGJLLC-XCVCLJGOSA-N 309.217 5.326 30 50 DKEA CCCCCCCCCCCCCCCCCCNCCN 101360568 LMTSQIZQTFBYRL-UHFFFAOYSA-N 312.586 5.796 30 50 DKEA Oc1ccc(Cl)cc1/N=C/c1ccc(Cl)cc1Cl 2143615 IENMZNPGGKSZIL-REZTVBANSA-N 300.572 5.103 30 50 DKEA CC=CC[N+](CC#Cc1cccc2ccccc12)(CCC)CCC 1857525282 FWXOJWHIZRKPGW-UHFFFAOYSA-N 320.500 5.404 30 50 DKEA Cc1ccc(N/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 2994176 QHQGMQHKUSCAJU-FOCLMDBBSA-N 313.400 5.471 30 50 DKEA CCCCCCCCCCCCSCCc1ccncc1 100287614 PQOBJJYRAXXRLQ-UHFFFAOYSA-N 307.547 6.278 30 50 DKEA CC[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)cc1 4825302 CFEZWRXXDBOXQG-IRXDYDNUSA-N 304.220 5.794 30 50 DKEA CCCCCCCCCCCCOC(=O)c1ccc(O)cc1 49877946 BAYSQTBAJQRACX-UHFFFAOYSA-N 306.446 5.470 30 50 DKEA in-vitro C=CC[Sn](CC=C)(CCCC)CCCC 169747130 LCGVYMRFNOWPGQ-UHFFFAOYSA-N 315.089 5.407 30 50 DKEA CCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 100074537 NJQLLUIPSJLJHY-UHFFFAOYSA-N 321.464 6.355 30 50 DKEA Oc1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 4401950 JXHFGNGOTPNMRT-CZPSDBATSA-N 301.349 5.558 30 50 DKEA C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C 253590017 ATXHVCQZZJYMCF-LPYKTLRWSA-N 300.486 5.256 30 50 DKEA in-vivo CCCCCCC1CCC(c2ccc(C#N)c(Cl)n2)CC1 1761153 PEGFHNBROCGKTA-UHFFFAOYSA-N 304.865 5.851 30 50 DKEA CCCCCCCCCCCCCC(=O)NCc1ccco1 100441919 BMGLMLCZWNGTHZ-UHFFFAOYSA-N 307.478 5.597 30 50 DKEA COc1ccc(/C=N/c2nc(-c3ccc(C)c(C)c3)cs2)cc1 106057015 DIOHLSZPVCVRQR-RGVLZGJSSA-N 322.433 5.186 30 50 DKEA C=CCCCCCCCCC[C@](C)(O)[C@](C)(O)CCCC=C 43198562 RWOFXRILMUGXIZ-UXHICEINSA-N 310.522 5.542 30 50 DKEA CCOc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 4750800 BDEFOFKJHYVJGR-FMIVXFBMSA-N 320.310 5.000 30 50 DKEA Clc1cccc(Cl)c1/C=N/c1ccc2ccccc2c1 100403679 FIMVFWKXUBJRGB-RGVLZGJSSA-N 300.188 5.897 30 50 DKEA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CC#N 118919683 JPDIISCNKYBMAY-OGNRNXDYSA-N 315.501 5.064 30 50 DKEA CCN(Cc1cccc(C#N)c1F)c1ccccc1C(C)(C)C 1616042258 PDKVLCGSUJZVDO-UHFFFAOYSA-N 310.416 5.021 30 50 DKEA C[C@H](/N=C(/S)NC1CCC(C(C)(C)C)CC1)c1ccccc1 13775351 IKWHHUWNUJJULQ-OOHWJJMZSA-N 318.530 5.228 30 50 DKEA Oc1ccc(Cl)cc1/N=C/c1c(Cl)cccc1Cl 3091560 CXWPDCSEVRZHOS-REZTVBANSA-N 300.572 5.103 30 50 DKEA O=C(/C=C/Nc1ccccc1Oc1ccccc1)c1cccs1 2855684 IDYKGUVVPJFABB-OUKQBFOZSA-N 321.401 5.349 30 50 DKEA Cc1ccc(O)c(N=Cc2sc3ccccc3c2Cl)c1 252680189 XHMAXRGFAJKLCU-UHFFFAOYSA-N 301.798 5.319 30 50 DKEA CC[C@@H](C)c1ccc([C@@H](C)/N=C(/S)NC2CCCCC2)cc1 13751697 BOTHQZDCJHFCPZ-HUUCEWRRSA-N 318.530 5.469 30 50 DKEA CCc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2166463 UVKHFXOYFMCKAJ-XQNSMLJCSA-N 315.416 5.579 30 50 DKEA CCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1 100167541 OHIORSVUWCEHNT-XDJHFCHBSA-N 307.434 5.110 30 50 DKEA C#C[Sn](CCCC)(CCCC)CCCC 169743372 YEMJHNYABQHWHL-UHFFFAOYSA-N 315.089 5.008 30 50 DKEA COc1ccc2c(c1)C(=O)/C(=C/c1cccc3ccccc13)CC2 2549129 XYOBHXUVULLJQM-QGOAFFKASA-N 314.384 5.061 30 50 DKEA CCCCCCCCCCCCCCC[C@H](O)CCN(C)C 100684592 CJVPWFLKYKHHFW-FQEVSTJZSA-N 313.570 5.780 30 50 DKEA CC[C@H](C)c1ccc(N/C(S)=N\Cc2cccs2)cc1 13468950 FQDHBVVZKPNTAE-LBPRGKRZSA-N 304.484 5.160 30 50 DKEA CCCCCCCCCCCCCCNC(=O)C1CCCCC1 64858959 MIHNEWQWEUOBSN-UHFFFAOYSA-N 323.565 6.384 30 50 DKEA in-vitro CCCCCCCCCCCCCCCCC/C=C/C(=O)O 32787454 FIKTURVKRGQNQD-VHEBQXMUSA-N 310.522 6.889 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCCCCCCCCC(=O)O 6920376 VKOBVWXKNCXXDE-UHFFFAOYSA-N 312.538 7.113 30 50 DKEA endogenous,in-man Oc1c(Cl)cc(C2CCCCC2)cc1/N=C/c1cccnc1 155461 ZVQPLNYKKFHTCM-CIAFOILYSA-N 314.816 5.239 30 50 DKEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)C2 100261746 HUSJARBOKVIBMX-APPDUMDISA-N 324.251 5.314 30 50 DKEA COc1ccccc1N=C/C=C/C=C1/C=Cc2ccccc2N1C 409415892 ISDBXLHEBOJXJH-IEIQDXTDSA-N 316.404 5.001 30 50 DKEA C=CCCCCCCCCC[C@@]1(C)OC(=O)O[C@@]1(C)CC=C 71786820 VOPBLDFWQRREKD-RBUKOAKNSA-N 308.462 5.944 30 50 DKEA C=CCN(CC=C)C(=O)Nc1c(C(C)C)cccc1C(C)C 397014 KMRASXFZCVXPPN-UHFFFAOYSA-N 300.446 5.139 30 50 DKEA C=CCCCCCC[C@]1(O)[C@@]2(C)CC[C@@H](C2(C)C)[C@]1(O)CC=C 257356969 LIOAOAPZTHFEEQ-WJMWBRGCSA-N 320.517 5.007 30 50 DKEA C/C(=N\Nc1cccc2cccnc12)c1cccc2ccccc12 5621285 KMNCEWOELWISRT-HZHRSRAPSA-N 311.388 5.224 30 50 DKEA CCCCCCCCCCCC(=O)c1nc2ncccc2o1 34803705 XUWBDQAPIZBSRY-UHFFFAOYSA-N 302.418 5.326 30 50 DKEA in-vivo Clc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 498305 FVDUHVXYNDNZEK-KGENOOAVSA-N 307.780 5.883 30 50 DKEA CCCCCCCCCCC/C(=N\O)c1ccc(C)cc1O 100166624 DJRCMVCFUPOPKC-CZIZESTLSA-N 305.462 5.800 30 50 DKEA CO/N=C(\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCC1 43761165 ODXKQJJZNHOMST-FXBPSFAMSA-N 317.473 5.138 30 50 DKEA COc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 254410577 HLJXCFUTNROPTR-UHFFFAOYSA-N 315.376 5.861 30 50 DKEA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC 64858495 AESHPAQQBZWZMS-NWFXIAEYSA-N 320.517 6.529 30 50 DKEA in-vitro C=CCCCCCCCCC[C@]1(C)OC(=O)O[C@@]1(C)CC=C 71786819 VOPBLDFWQRREKD-OALUTQOASA-N 308.462 5.944 30 50 DKEA O=C(/C=C/Nc1ccccc1F)c1ccc(-c2ccccc2)cc1 305653 XNNAHYMEVLQNBI-CCEZHUSRSA-N 317.363 5.301 30 50 DKEA ClC1=C(/C=N/c2ccccc2)CCC/C1=C\Nc1ccccc1 95851258 OQLQDSZUBLCILN-IECGRNSXSA-N 322.839 6.062 30 50 DKEA C(=N/C(c1ccccc1)c1ccccc1)\c1ccc2c(c1)CCC2 2160220 FDDPXZIFPZCSTA-JJIBRWJFSA-N 311.428 5.384 30 50 DKEA ClC1=C(C=Nc2ccccc2)CCC/C1=C\Nc1ccccc1 242592353 OQLQDSZUBLCILN-UHFFFAOYSA-N 322.839 6.062 30 50 DKEA Cc1ccsc1/C=C1\C(=O)c2ccccc2[C@@H]1c1ccccc1 12955572 RBZTXSSTTRDXMK-LVSKKATPSA-N 316.425 5.468 30 50 DKEA CCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1 78108243 VIUQAJGCGOXPGF-UHFFFAOYSA-N 319.445 5.244 30 50 DKEA biogenic CCCCCCCCCCCCCCCCSCCO 85428650 PDOIABQTPMOHQQ-UHFFFAOYSA-N 302.568 6.193 30 50 DKEA O=[N+]([O-])c1ccc(C#Cc2c3ccccc3cc3ccccc23)cc1 2518990 STLIQNHVPOSJRJ-UHFFFAOYSA-N 323.351 5.301 30 50 DKEA CCCCCCCCCCC(=O)CCCCCCCCCC 100011525 DOACSXJVHDTDSG-UHFFFAOYSA-N 310.566 7.617 30 50 DKEA in-vitro Clc1ccc(/C=N/Nc2nc3ccccc3s2)c(Cl)c1 3909443 YUPRYQYVCWVVLK-CAOOACKPSA-N 322.220 5.049 30 50 DKEA O=CCCCC(Sc1ccccc1)Sc1ccccc1 1618028 ZBNHHIIHEKGMMU-UHFFFAOYSA-N 302.464 5.266 30 50 DKEA Cc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)cc1 100009892 FEYZMOAOMKSFOX-JVVTXYFXSA-N 314.392 5.553 30 50 DKEA Cc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1 9013024 JTGMQEDQKBUKSW-IYYWNBDZSA-N 319.433 5.230 30 50 DKEA N#Cc1cc(C(F)(F)F)ccc1Sc1cccc(Cl)c1 1404348 HGKPGJMJYMEKNU-UHFFFAOYSA-N 313.731 5.382 30 50 DKEA Cc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C)cc1 18052019 BSYIITQHPOGZMO-DFEHQXHXSA-N 312.416 5.805 30 50 DKEA O=[N+]([O-])c1cccc(/C=N/[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 245240280 PLBLXJMHUYUZIW-ZIEHKSSRSA-N 324.424 5.073 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(O)cc1CCCCC 2383092 YWEZXUNAYVCODW-RBUKOAKNSA-N 314.469 5.847 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)OCC(C)C 100006417 OJIBJRXMHVZPLV-UHFFFAOYSA-N 312.538 6.667 30 50 DKEA CCCCCCCCC#CCC#CCCCCCCC(=O)O 2558188 AJBBHZDIKZCZAI-UHFFFAOYSA-N 304.474 5.559 30 50 DKEA biogenic,in-vitro CC(=O)c1cccc(N=C(C)/C=C2/Sc3ccccc3N2C)c1 334156945 BPRZFHWVAJJMQH-MLCNWZFMSA-N 322.433 5.065 30 50 DKEA Fc1ccc(/C=N/c2cncc3c2ccc2ccccc23)cc1 5739838 WHHZAVSEDSPMHM-FOKLQQMPSA-N 300.336 5.278 30 50 DKEA CCCCCCCCCCCCN/C(O)=N/c1ccccc1 82217905 MJNSDXVQSIPSQE-UHFFFAOYSA-N 304.478 5.743 30 50 DKEA CCc1ccccc1/N=C/c1c2ccccc2cc2ccccc12 2162224 SHKPCTRIVADGRJ-LFVJCYFKSA-N 309.412 6.306 30 50 DKEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1 16995232 FVUWNXLSMFZKBU-RNODOKPDSA-N 321.445 5.199 30 50 DKEA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C#N)c(F)cnc21 169794192 KWBSNCOQUZARMS-UHFFFAOYSA-N 317.484 5.071 30 50 DKEA in-vitro C=Cc1ccc(C(=O)/C=C/c2ccc(N(CC)CC)cc2)cc1 4729479 UQJRREYUUZBDTE-LFIBNONCSA-N 305.421 5.072 30 50 DKEA C/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 21300219 MGBVAZJASCWJGJ-OKTMORDVSA-N 304.220 5.338 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O 4097407 QHMBSVQNZZTUGM-ROUUACIJSA-N 314.469 5.847 30 50 DKEA biogenic,in-vitro O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 4159722 HCVKOZUQCMRSOT-PKNBQFBNSA-N 310.299 5.121 30 50 DKEA O=C1CCCC2=C1[C@H](c1ccccc1)C=C(c1ccccc1)S2 1020652 WSAQNVPUPHOJOU-KRWDZBQOSA-N 318.441 5.565 30 50 DKEA COc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1 44125680 NTZXSDKUZYJAGQ-FYJGNVAPSA-N 301.345 5.345 30 50 DKEA C=CCCCCCCCCC(=O)Nc1nc2ccccc2s1 2059133 BXEXYWBYAWETAY-UHFFFAOYSA-N 316.470 5.542 30 50 DKEA Clc1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 50742 PCORQFIKYMVRDK-HYARGMPZSA-N 321.807 5.670 30 50 DKEA CCCCCCCC[C@H](CCCCCC)Cc1cccs1 141655015 OEKNWJQSAYEBFD-IBGZPJMESA-N 308.575 7.628 30 50 DKEA CC(=C/c1ccc(C(C)C)cc1)/C=N/Nc1ccc([N+](=O)[O-])cc1 4989634 GWCRHJDMHHYKNQ-VFBGBMQPSA-N 323.396 5.219 30 50 DKEA Cc1nc(SCc2ccccc2Cl)c(C#N)c(C)c1Cl 54392 VZKOPUSVKDQXRO-UHFFFAOYSA-N 323.248 5.169 30 50 DKEA CCCCC/C=C\C/C=C\C/C=C\CC#CCCCC(=O)O 13526679 GIOQWSLKUVKKAO-QNEBEIHSSA-N 302.458 5.664 30 50 DKEA in-vitro C=CC(=O)NCCCCCCCCCCCCCCCCCC 85809089 CNWVYEGPPMQTKA-UHFFFAOYSA-N 323.565 6.550 30 50 DKEA C=CCN(CC=C)C(=O)N1c2ccccc2Sc2ccccc21 2886248 ULGGZCBZMXASKQ-UHFFFAOYSA-N 322.433 5.083 30 50 DKEA Cc1cc(C)c(C(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1C 5073492 ZKUBQHFHVMNPLS-PKNBQFBNSA-N 316.400 5.768 30 50 DKEA CCOc1ccc(/N=C/c2cc3cccc(C)c3nc2Cl)cc1 100242782 SUNDMHYFHAWUBY-CIAFOILYSA-N 324.811 5.346 30 50 DKEA CCCCCCCC(=O)CCCC(=O)Nc1cccc(C)c1 100288281 BJHFWQUWRXVXSN-UHFFFAOYSA-N 303.446 5.033 30 50 DKEA CCCCCCCCCCC/C=C/CCCCC(=O)OCC 101144804 IKUZCNYUCLNCKN-CCEZHUSRSA-N 310.522 6.587 30 50 DKEA Cc1cccc(N/N=C(\N=N\c2ccccc2)c2ccccc2)c1 95864685 TXSUIVPRHHQNTM-VRUPRMQOSA-N 314.392 5.553 30 50 DKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257357736 PQGMAKFMGGZKBA-LPVBTYDRSA-N 300.486 5.545 30 50 DKEA CCCCCCCCCCC[C@@H](C)NC(=O)c1cc(C)on1 100658047 VGKWPWJBOJELJL-OAHLLOKOSA-N 308.466 5.022 30 50 DKEA CN(C)c1ccc(C=Nc2ccc3c(c2)Cc2ccccc2-3)cc1 254305899 YUKPSVJYPSYVLB-UHFFFAOYSA-N 312.416 5.074 30 50 DKEA CCCCCCCCCCCCCCCCCCCCCC 6920415 HOWGUJZVBDQJKV-UHFFFAOYSA-N 310.610 8.828 30 50 DKEA biogenic,in-vitro C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1 16995235 FVUWNXLSMFZKBU-XCLFUZPHSA-N 321.445 5.199 30 50 DKEA C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CC#N 252346919 JPDIISCNKYBMAY-WMKCGOMXSA-N 315.501 5.064 30 50 DKEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1 9331817 FVUWNXLSMFZKBU-RBZFPXEDSA-N 321.445 5.199 30 50 DKEA C[C@H]1[C@@H]2C[C@H](C(=C3\C[C@@H]4C[C@@H]3[C@H](C)C4(C)C)/C2=N/O)C1(C)C 252394245 CCDHTPVHZBYPLL-BNUJTDNTSA-N 301.474 5.127 30 50 DKEA Cc1ccc([C@@H](C#N)CC(=O)c2ccc(Cl)c(Cl)c2)cc1 1397688 NMZAREOWKLMMHR-CQSZACIVSA-N 318.203 5.182 30 50 DKEA C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 6492577 MESRVRXMCJMIEO-CSKARUKUSA-N 324.182 5.331 30 50 DKEA CCCCCCCCCCCCCCCCC/C=C\C(=O)O 32787450 FIKTURVKRGQNQD-HNENSFHCSA-N 310.522 6.889 30 50 DKEA in-vitro CCCCCC/C=C/CCCCCCCc1cccc(O)c1O 86040483 GWOCLAPCXDOJRL-BQYQJAHWSA-N 318.501 6.508 30 50 DKEA COc1ccccc1N=C/C=C/C=C1\C=Cc2ccccc2N1C 409415893 ISDBXLHEBOJXJH-QXMOTPGVSA-N 316.404 5.001 30 50 DKEA CC1(C)C/C(=N\Nc2ccccc2)C/C(=N/Nc2ccccc2)C1 5614187 NWGKJELSPNNQBO-KVOJEJHXSA-N 320.440 5.133 30 50 DKEA FC(F)(F)c1cccc(N=Cc2c(Cl)cccc2Cl)c1 254757399 NVJMOSATGDSLOB-UHFFFAOYSA-N 318.125 5.763 30 50 DKEA CC[C@H](C)c1ccc([C@@H](C)/N=C(/S)NC2CCCCC2)cc1 13751698 BOTHQZDCJHFCPZ-LSDHHAIUSA-N 318.530 5.469 30 50 DKEA c1ccc(C(=Nc2ccc3ccccc3c2)c2ccccc2)cc1 2173387 FPHHLLOUGZSIPE-UHFFFAOYSA-N 307.396 6.009 30 50 DKEA CC(=O)/C=C/CCC[C@@]1(C)CC[C@@H]2C(C)(C)C[C@@]3(C)CC=C[C@]213 71786441 CHWQREYWFHUIEC-CCQQQDBWSA-N 314.513 6.101 30 50 DKEA C=C(C)[C@H]1CC[C@H](C)C[C@H]1c1c(O)cc(CCCCC)cc1O 27644450 CODIXLGYYWMJFS-CGTJXYLNSA-N 316.485 5.926 30 50 DKEA in-vitro CCCCCCCCCCCCCCCCCCCCCO 95731181 FIPPFBHCBUDBRR-UHFFFAOYSA-N 312.582 7.411 30 50 DKEA in-vitro CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1=O 2143316 MNEIVNVOIYFTCU-UHFFFAOYSA-N 322.407 5.654 30 50 DKEA C(=C/c1ccccc1)\C=N\N=C(c1ccccc1)c1ccccc1 4529783 PBBXNORKHFDZPJ-QSUZBBGVSA-N 310.400 5.223 30 50 DKEA CCCCCCCCCCCCNC(=O)NC1CCCCC1 59895091 POEWFBSYPFIYSK-UHFFFAOYSA-N 310.526 5.539 30 50 DKEA CCCCCCCCCCCCCC(=O)c1cc(O)ccc1O 100730650 YTVLFPYTRYBGQK-UHFFFAOYSA-N 320.473 5.982 30 50 DKEA CCCCCCCCCCCCCCCCCC1CCCCC1 82058528 VLHZQNGNJQYAIZ-UHFFFAOYSA-N 322.621 8.828 30 50 DKEA CCCCCCCCCCCC(=O)Nc1cc(C)ccc1OC 100925271 OYHYKLUMGQQTRE-UHFFFAOYSA-N 319.489 5.863 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCCC(=O)O 6920439 BITHHVVYSMSWAG-KTKRTIGZSA-N 310.522 6.889 30 50 DKEA endogenous,in-man CCCCCCCCCCCCCCCCCC[N+](C)(C)C 36177025 PDSVZUAJOIQXRK-UHFFFAOYSA-N 312.606 6.954 30 50 DKEA in-vitro CCCCCCCCSCCCCCCN1CCSC1 95870602 LJRQSEGJHGZXHY-UHFFFAOYSA-N 317.608 5.647 30 50 DKEA CCCCCCCCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 2187822 CSKWBCRSXGRQHM-UHFFFAOYSA-N 321.461 5.132 30 50 DKEA biogenic c1ccc(/N=N/C(=N\Nc2ccccc2)c2ccccc2)cc1 8380655 BEIHVSJTPTXQGB-YMGPPEANSA-N 300.365 5.244 30 50 DKEA in-vitro Cc1sc(NC(=O)C2CCC(C(C)(C)C)CC2)c(C#N)c1C 17054768 ZSQBYLWBPHGZGQ-UHFFFAOYSA-N 318.486 5.028 30 50 DKEA CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2068791 XEBKYIOVXUVZJE-UHFFFAOYSA-N 316.429 5.399 30 50 DKEA CCN1/C(=C/C=N/c2ccccc2)Oc2ccc3ccccc3c21 4774836 BZPLUWXNYXSIGU-UAKSEAGPSA-N 314.388 5.302 30 50 DKEA CC(C)(C)c1cc(/C=C/C(=O)c2ccccc2)cc(C(C)(C)C)c1 5284244 UYUZSHDRJWFQML-OUKQBFOZSA-N 320.476 6.178 30 50 DKEA CCCCCCCCCCN(C)CCCCCCCCCC 100023742 ATBNMWWDBWBAHM-UHFFFAOYSA-N 311.598 7.200 30 50 DKEA CCN(CC)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 5194506 HXWXFSWDVNKYHL-VGOFMYFVSA-N 313.828 5.082 30 50 DKEA C=CCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1CC=C 204942097 FCDNVUPUNSAILB-UHFFFAOYSA-N 308.421 5.011 30 50 DKEA C=CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 253595874 JZBZILTUIHGIMB-OGDHSWOFSA-N 314.513 5.911 30 50 DKEA CCCCCCCCCCC/C=C/c1ccc(C(=O)O)cc1 2571518 HMPHXVJGYWELBM-OUKQBFOZSA-N 302.458 6.319 30 50 DKEA CCCCCCCCCCCCCCCCOC(=O)[C@@H](C)O 100015089 WUKXMJCZWYUIRZ-GOSISDBHSA-N 314.510 5.392 30 50 DKEA CCCCCCCCCCCCCOC(=O)c1ccccc1 136802994 PHXPEXIJLNFIBR-UHFFFAOYSA-N 304.474 6.154 30 50 DKEA C[C@@H]1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 245312787 XAFUACCGKZJENE-BXYYLCOUSA-N 324.370 5.431 30 50 DKEA N#Cc1ccc(N=Nc2ccc(N3Cc4ccccc4C3)cc2)cc1 254343129 ZNOOAKIMCAITOV-UHFFFAOYSA-N 324.387 5.494 30 50 DKEA CCOc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 4725236 XYMULKFGTLJBNS-BJMVGYQFSA-N 321.203 5.288 30 50 DKEA CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1 17654938 CZRCFAOMWRAFIC-UHFFFAOYSA-N 324.461 6.058 30 50 DKEA in-vivo O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 4013304 GSQGUMFXFLWUJU-XBXARRHUSA-N 311.595 5.543 30 50 DKEA CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 5284287 DLTLJPHIQGOXIB-CXUHLZMHSA-N 320.476 6.178 30 50 DKEA CCCCCCCCCCCCCCc1ccc(N)c(N)c1 103004544 UELHLMKHNRVDIM-UHFFFAOYSA-N 304.522 6.095 30 50 DKEA CCCCCCCCCCCCCCCc1cccc(O)c1 6845726 PTFIPECGHSYQNR-UHFFFAOYSA-N 304.518 7.026 30 50 DKEA endogenous,in-man Oc1ccc2ccccc2c1C=Nc1cccc(C(F)(F)F)c1 254865863 PJAREUICBHGCKB-UHFFFAOYSA-N 315.294 5.315 30 50 DKEA CCCCCCCO[C@]1(c2ccccc2)OC(=O)c2ccccc21 2893093 KHSAIRWSAIACLJ-OAQYLSRUSA-N 324.420 5.045 30 50 DKEA C=C[C@@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 22009420 PITUINHIXKJYJX-CLOLKSBNSA-N 321.807 5.278 30 50 DKEA CCCCCCCCCCCCOc1ccc(C#N)c(C#N)c1 100009801 SWVGQFFVXRAJRQ-UHFFFAOYSA-N 312.457 5.730 30 50 DKEA in-vitro CCCCCCCCCCCCCC(=O)NCc1ccccc1 96282630 GTSARBWYZALTHO-UHFFFAOYSA-N 317.517 6.004 30 50 DKEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CS1 253499542 JFDOJKGTOKPEKW-XSEPRYCASA-N 316.510 5.004 30 50 DKEA biogenic CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 2149544 GPGGNNIMKOVSAG-UHFFFAOYSA-N 307.437 5.965 30 50 DKEA in-vitro CCCCCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 3080967 VZTNAZHGRCUTJO-UHFFFAOYSA-N 316.272 6.073 30 50 DKEA O=[N+]([O-])c1cccc(/C=N/[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 245240279 PLBLXJMHUYUZIW-VVCFHKFESA-N 324.424 5.073 30 50 DKEA CCCCOc1cccc(/N=C/c2c(O)ccc3ccccc23)c1 4199191 RWSZWVIBCHWVBR-PXLXIMEGSA-N 319.404 5.475 30 50 DKEA CC(C)c1ccc(/C=N/c2ccc(Br)cc2)cc1 2167738 AIYCOUKSOKZKQA-WOJGMQOQSA-N 302.215 5.323 30 50 DKEA C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(C)cc1 4837082 OEXIBFUOGWBMNU-RCCKNPSSSA-N 321.449 5.263 30 50 DKEA CCCCCCCCCCCCCCCCCCCCS 60274166 YYHYWOPDNMFEAV-UHFFFAOYSA-N 314.623 7.958 30 50 DKEA in-vitro CCOc1ccc2ccccc2c1/C=N/c1ccccc1CC 100221298 DBKSVRIKOVLFNZ-PXLXIMEGSA-N 303.405 5.552 30 50 DKEA Cc1ccc(SN=C(c2ccccc2)c2ccccc2)cc1 1958712 DEWKMDXPQKLQCO-UHFFFAOYSA-N 303.430 5.540 30 50 DKEA Cc1ccccc1/C=C1/CCC/C(=C\c2ccccc2C)C1=O 13881903 UTIHSBHVGKPGEM-TVGQLCNQSA-N 302.417 5.523 30 50 DKEA N#CC[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C#N)c1ccccc1 401090 DYXQKXLCFUJXBN-CABCVRRESA-N 315.203 5.298 30 50 DKEA CCCCCCCCCCCCCc1cccc(O)c1C(=O)O 44419004 VEPUCZUJLKAVNM-UHFFFAOYSA-N 320.473 5.944 30 50 DKEA endogenous,in-man CC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 12384058 JNBOLTRSRKEREJ-HEHNFIMWSA-N 321.449 5.345 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCNCCO 111870210 ZMOMBHNITWAALH-KTKRTIGZSA-N 311.554 5.606 30 50 DKEA CCCCCCCC[C@H](CCCCCC)Cc1ccsc1 167106949 HDFZTBJTNXTFAS-IBGZPJMESA-N 308.575 7.628 30 50 DKEA N#CC[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](C#N)c1ccccc1 401087 DYXQKXLCFUJXBN-LSDHHAIUSA-N 315.203 5.298 30 50 DKEA CCCCCCCN(CCCCCCC)CCCCCCC 95712981 CLZGJKHEVKJLLS-UHFFFAOYSA-N 311.598 7.200 30 50 DKEA Cc1c(Cl)cccc1/N=C/c1cc(Cl)cc(Cl)c1O 61205 PDCNGLCVKKCUDQ-CNHKJKLMSA-N 314.599 5.411 30 50 DKEA CC(=O)/C=C\CCC[C@@]1(C)CC[C@@H]2C(C)(C)C[C@@]3(C)CC=C[C@]213 1501069117 CHWQREYWFHUIEC-QLSIYLORSA-N 314.513 6.101 30 50 DKEA CCCCC[C@H]1O[C@@H]1C/C=C/CCCCCCCC(=O)OC 4544119 JTSVQVYMBXVLFI-PQGVJJGYSA-N 310.478 5.184 30 50 DKEA O=C(/C=C\Nc1cc(Cl)ccc1O)c1ccc2ccccc2c1 5066592 ZVALSUDOXITCIZ-KTKRTIGZSA-N 323.779 5.007 30 50 DKEA CCCCCCCCSCCCCCCCCC(=O)O 44322964 OMIBNTWPNMKIGZ-UHFFFAOYSA-N 302.524 5.895 30 50 DKEA in-vitro O=C1CCCC2=C1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 1020651 WSAQNVPUPHOJOU-QGZVFWFLSA-N 318.441 5.565 30 50 DKEA CCCCCCCCCCOc1ccc(/C(CC)=N/O)c(O)c1 100167546 HWOGLWGFRRJDEC-CZIZESTLSA-N 321.461 5.500 30 50 DKEA C=CCC1=C(O)C[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@H]2C1 242547860 KWSVAQRMAWYJRC-FXALTLAESA-N 300.486 6.027 30 50 DKEA Cc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1 5420456 AURREQSNPUNPHF-FOCLMDBBSA-N 313.400 5.471 30 50 DKEA CCCCCCCCCCCCN(C)c1ccc([N+](=O)[O-])cc1 100813825 KTSCUUAPKIOMCZ-UHFFFAOYSA-N 320.477 5.952 30 50 DKEA Cc1ccc([C@H]2CCCN2/C(O)=N/c2ccccc2Cl)cc1 82095921 QZNSNCKQCZYKBW-QGZVFWFLSA-N 314.816 5.031 30 50 DKEA CCCCCCCCCCCCCCCC[C@H](O)C(=O)OC 85885564 OUFCLLRNNJZLOX-SFHVURJKSA-N 314.510 5.392 30 50 DKEA CC(=O)/C=C/c1ccccc1Oc1cccc(C(F)(F)F)c1 1389783 DSYWRQJWHPFVRK-MDZDMXLPSA-N 306.283 5.100 30 50 DKEA O=C(/C=C(\Nc1cccc2ccccc12)C(F)F)c1ccccc1 4982670 KJMKUZNZWIGHKD-AQTBWJFISA-N 323.342 5.284 30 50 DKEA CCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1 8234356 TUGAUFMQYWZJAB-FPLPWBNLSA-N 318.501 6.508 30 50 DKEA biogenic,in-vivo C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C 4214767 ATXHVCQZZJYMCF-XUDSTZEESA-N 300.486 5.256 30 50 DKEA world Clc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1Cl 2171398 LNNGCCYSPWQMIC-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA CCCCCCCCCCCCCCCCOc1ccccc1 101014046 FQKWHGOHXVHGMR-UHFFFAOYSA-N 318.545 7.547 30 50 DKEA CCCCn1c(N)c(C#N)c(-c2ccccc2)c1-c1ccccc1 2575408 XMTBXTLDFXEMPG-UHFFFAOYSA-N 315.420 5.076 30 50 DKEA C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)C1 4097908 MXYATHGRPJZBNA-KRFUXDQASA-N 302.458 5.206 30 50 DKEA biogenic,in-man CCCSc1nc2c(c(-c3ccc(C)cc3)c1C#N)CCCC2 230510193 ZKNYIOWLKVRVEJ-UHFFFAOYSA-N 322.477 5.310 30 50 DKEA C[C@@H](/N=C(/S)NC1CCCCC1)c1ccc(C(C)(C)C)cc1 13774838 ZTRXFNYQKYIUPF-CQSZACIVSA-N 318.530 5.253 30 50 DKEA CCCCCCCCCCCCCCCCCCOCCO 56898840 ICIDSZQHPUZUHC-UHFFFAOYSA-N 314.554 6.257 30 50 DKEA in-man CCCCCCCCCCCCCCCCCCCN(C)C 101172439 PKMWMAMVKCMWQG-UHFFFAOYSA-N 311.598 7.200 30 50 DKEA CCCCCCCCCCCCOc1ccccc1C(=O)O 100858196 GTRHHOMIEMLBPC-UHFFFAOYSA-N 306.446 5.685 30 50 DKEA Cc1ccc([C@@H]2CCCN2/C(O)=N/c2ccccc2Cl)cc1 82095920 QZNSNCKQCZYKBW-KRWDZBQOSA-N 314.816 5.031 30 50 DKEA CCCCCCCCCCCCSC[C@@H](O)c1ccccc1 100853131 CHSJLMSPDJLMHX-HXUWFJFHSA-N 322.558 6.374 30 50 DKEA C=CCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 92266 WCCBEKJUZHVKSE-UHFFFAOYSA-N 320.436 5.233 30 50 DKEA Cc1cc(C)c(/N=C/c2c3ccccc3cc3ccccc23)c(C)c1 2171243 XVQJQIMQTXPCIG-MFKUBSTISA-N 323.439 6.669 30 50 DKEA N#CC[C@@H](c1ccccc1)[C@H](C#N)c1ccc(Cl)cc1Cl 401078 XJMPIDDNARIXKG-HOCLYGCPSA-N 315.203 5.298 30 50 DKEA C=CCC[C@@H]1[C@H](C)C(=O)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@@]21C 71786280 XKIBPLZLUDKUPC-RUTNFUQLSA-N 316.529 6.203 30 50 DKEA CCCCCCCCCCCCCCC(=O)N1CCOC1=O 263621891 RSNWXHNBZSWFLG-UHFFFAOYSA-N 311.466 5.056 30 50 DKEA CCCCC/C=C\C/C=C\C/C=C\C=C/C(=O)CCCC(=O)O 14953128 MEASLHGILYBXFO-KDSVWZCMSA-N 318.457 5.396 30 50 DKEA in-vitro Cc1cc(Cl)ccc1NC1=CC(=O)C[C@H](c2ccccc2)C1 449127 YQDYCYZNQKFYBY-OAHLLOKOSA-N 311.812 5.091 30 50 DKEA CC(C)c1ccc(N/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1776110928 RUZYUVBHMQGKLY-CCEZHUSRSA-N 321.464 5.916 30 50 DKEA c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1 5018278 RSIZHSFCPFZAJC-UHFFFAOYSA-N 313.445 5.935 30 50 DKEA O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 4725079 RFOUVPFZATXPNJ-CCEZHUSRSA-N 323.395 5.731 30 50 DKEA C/C(=C\C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 6492609 XHWHFPIARDLXNZ-ZHACJKMWSA-N 306.192 5.192 30 50 DKEA CCCCCCCCN1c2ccccc2Sc2ccccc21 138426689 CFERYHPYXAAGEV-UHFFFAOYSA-N 311.494 6.650 30 50 DKEA CN(/N=C/c1ccccc1Sc1ccccc1)c1ccccc1 4412942 QCVUYIXTXDKDAL-LTGZKZEYSA-N 318.445 5.308 30 50 DKEA Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cccc2ccccc12 4006887 WHCUCWRUVIPMHN-BUHFOSPRSA-N 311.384 5.526 30 50 DKEA Cc1ccccc1/N=C1/c2ccccc2-c2nc3ccccc3cc21 12463020 CXKUNLKWJCXPPL-GYHWCHFESA-N 320.395 5.693 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1 8452311 AQWVNVWBVUAXJU-UHFFFAOYSA-N 317.517 6.635 30 50 DKEA CCN(CC)c1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 17836009 UGMWYNBFKFWYQW-LPYMAVHISA-N 320.358 5.302 30 50 DKEA C[C@H]1CC/C(=N\Nc2nc(-c3ccc(Cl)cc3)cs2)C1 213752808 FDFJAFXMIJWFOL-LNLNWCRDSA-N 305.834 5.051 30 50 DKEA in-vitro C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\O)C2=O 257346066 QDATXTHLLOKPTJ-FDKYJYPXSA-N 302.458 5.040 30 50 DKEA CN1/C(=C\C=Nc2ccccc2Cl)C(C)(C)c2ccccc21 334157149 INLNRLHCCRTOEN-WKVOYQFPSA-N 310.828 5.354 30 50 DKEA O=C(/C=C/Nc1ccc(Nc2ccccc2)cc1)c1cccs1 2852929 DJCMGPPQPQFVRT-OUKQBFOZSA-N 320.417 5.300 30 50 DKEA CCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O 8860437 LSADDRSUZRRBAN-FDSUASFTSA-N 322.489 5.412 30 50 DKEA in-vitro Cc1cc(Cl)ccc1NC1=CC(=O)C[C@@H](c2ccccc2)C1 449126 YQDYCYZNQKFYBY-HNNXBMFYSA-N 311.812 5.091 30 50 DKEA CCCCCCCC/C=C/CCCCCCCCCCCCC 51943878 IGOWHGRNPLFNDJ-HTXNQAPBSA-N 322.621 8.994 30 50 DKEA in-vitro Cc1cccc(Sc2nc(-c3ccccc3)ccc2C#N)c1 3128231 ZQGWDTHNXYCMHT-UHFFFAOYSA-N 302.402 5.080 30 50 DKEA Fc1ccc(/N=C/Nc2ccc(F)c(Cl)c2)cc1Cl 4724796 GTIOGHNKYUFMBM-UHFFFAOYSA-N 301.123 5.044 30 50 DKEA Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1 5158918 QKFJVDSYTSWPII-UHFFFAOYSA-N 305.466 5.707 30 50 DKEA in-vitro CC(C)c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 2167557 OAXBGVGQXKPNCT-XQNSMLJCSA-N 314.432 6.304 30 50 DKEA O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 4152234 AXCCMTSCXPGOMT-ZRDIBKRKSA-N 308.764 5.496 30 50 DKEA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CC#N 5723719 JPDIISCNKYBMAY-YICFOJQDSA-N 315.501 5.064 30 50 DKEA CCOc1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1 5061490 LXMIMOIREZFLNR-YPKPFQOOSA-N 317.388 5.047 30 50 DKEA CCCCCCCCCCCC(=O)c1cccc2ccccc12 2173511 YBVRNZTWGYQFKN-UHFFFAOYSA-N 310.481 6.943 30 50 DKEA CCCCCCCCCCCCOc1cccc(C(=O)OC)c1 101016514 JOYQSMXBQJIRSC-UHFFFAOYSA-N 320.473 5.773 30 50 DKEA CCCCCCCCCCCCCC(=O)c1ccc(O)cc1O 100730613 CMOCRJYBTXGTKH-UHFFFAOYSA-N 320.473 5.982 30 50 DKEA C=CCCCCCCCCC[C@@](C)(O)[C@@](C)(O)CCCC=C 43198563 RWOFXRILMUGXIZ-VQTJNVASSA-N 310.522 5.542 30 50 DKEA C/C(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)=N\O 100515413 QTDZSUZTZNHIEH-VXLYETTFSA-N 317.772 5.437 30 50 DKEA Cc1cc(C)cc(N/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1 2325809506 CGHOKSRIULBTLV-WAYWQWQTSA-N 320.219 5.419 30 50 DKEA C=CCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 253595875 JZBZILTUIHGIMB-VXAPCQRLSA-N 314.513 5.911 30 50 DKEA CCCCCCCC(=O)CCCC(=O)Nc1ccc(C)cc1 2835870 FUKVCVGMRWXFAY-UHFFFAOYSA-N 303.446 5.033 30 50 DKEA CCCCCCCc1ccc(-c2ccc(/C=C/C(=O)O)cc2)nc1 2921664 FEGMWBXZWGDJQA-RVDMUPIBSA-N 323.436 5.359 30 50 DKEA CCCCCCCCCCCCCCCC(=O)C(F)(F)F 8036041 MAHYXYTYTLCTQD-UHFFFAOYSA-N 308.428 6.599 30 50 DKEA in-vivo Fc1ccccc1/N=N/C(=N/Nc1ccccc1)c1ccccc1 43761160 ZYOLARKXULBKBZ-MTCNYLKESA-N 318.355 5.383 30 50 DKEA CCCCCCCCCCCCCCCCCCCCCC#N 111875466 HFTGJMVZTJBYLN-UHFFFAOYSA-N 321.593 8.332 30 50 DKEA Cc1noc(/C=C/c2ccccc2)c1/N=C/C=C/c1ccccc1 25691344 YNQDRYLGPJQGDJ-MFIQQMRISA-N 314.388 5.569 30 50 DKEA O=C1/C(=C/c2ccccc2Cl)CCc2c1[nH]c1ccccc21 6884342 DALXSXCSROZEHO-ACCUITESSA-N 307.780 5.034 30 50 DKEA O=C(/C=C/C=C/c1ccccc1)c1ccc(-c2ccccc2)cc1 2164224 ZTCYKRUBXKZKTE-HPIZBCMHSA-N 310.396 5.806 30 50 DKEA C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 4102257 NIKHGUQULKYIGE-OTCXFQBHSA-N 302.458 5.040 30 50 DKEA biogenic,in-vitro COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)cc1 4158518 PKGNJABSYMZMDJ-ACCUITESSA-N 318.372 5.160 30 50 DKEA CCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 2571719 NYMKJKLPTFWWPH-DJKKODMXSA-N 324.207 5.108 30 50 DKEA COc1ccccc1/N=C/c1c2ccccc2cc2ccccc12 2170851 GWBFHMHWHAYYLK-HZHRSRAPSA-N 311.384 5.752 30 50 DKEA CN1/C(=C\C(=O)c2ccccc2)Sc2ccc3ccccc3c21 100070943 JLRFFZDTXCCEFM-CPNJWEJPSA-N 317.413 5.106 30 50 DKEA CCCCCCCCCC(=O)c1ccc(OCCC)cc1O 100730673 LEGGLCMODSQAJA-UHFFFAOYSA-N 306.446 5.504 30 50 DKEA Fc1ccccc1C(/N=N/c1ccccc1)=N\Nc1ccccc1 43761159 PGSOLOKNNBRHHR-MTCNYLKESA-N 318.355 5.383 30 50 DKEA CCCC(C)(C)/N=C(/O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 328590174 IEMOFIATOPOSBC-CHWSQXEVSA-N 313.363 5.344 30 50 DKEA Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 4159716 ZJGHZYSPLLZMBK-PKNBQFBNSA-N 322.791 5.805 30 50 DKEA CCCCCCCCCCCCCCCCCCOCCC#N 78921848 MKNBEAIORABCMG-UHFFFAOYSA-N 323.565 7.178 30 50 DKEA COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 100955109 RUJZUACLCQGHPI-PXLXIMEGSA-N 317.388 5.025 30 50 DKEA C[C@H](/N=C(/S)NC1CCCCC1)c1ccc(C(C)(C)C)cc1 13774839 ZTRXFNYQKYIUPF-AWEZNQCLSA-N 318.530 5.253 30 50 DKEA CC(=O)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1 100220732 JHAJUHKMVPSRFB-PXLXIMEGSA-N 322.452 5.672 30 50 DKEA C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21C 2040617 ATXHVCQZZJYMCF-QHOCJJNXSA-N 300.486 5.256 30 50 DKEA biogenic,in-vivo CCCCCCCCCCCCCCC[C@H]1CCCC(=O)C1 101016822 WHOBFGJNSZKKOY-FQEVSTJZSA-N 308.550 7.227 30 50 DKEA O=[N+]([O-])c1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1 17719574 DZCBYRPPMXRXFW-XSFVSMFZSA-N 317.348 5.089 30 50 DKEA CCCCCCCCCCCCCCCCNc1ccccc1 100939158 IXEGRINNWXKNJO-UHFFFAOYSA-N 317.561 7.580 30 50 DKEA C#CCOC(=O)CCCCCCCCCCCCCCCCC 101012865 KKFVXJLUOGRATF-UHFFFAOYSA-N 322.533 6.424 30 50 DKEA O=C(C=C1c2ccccc2Sc2ccccc21)c1ccccc1 15776555 VERWWLMLIVZIGA-UHFFFAOYSA-N 314.409 5.466 30 50 DKEA CCCCCCCCCCCCCCCCOCCCO 85479872 YDCSFYSJEYSCBP-UHFFFAOYSA-N 300.527 5.867 30 50 DKEA C=C(C)C(=O)OCc1ccc2ccc3cccc4ccc1c2c34 5225393 BUQDPCFXOBQDLX-UHFFFAOYSA-N 300.357 5.203 30 50 DKEA in-vitro Cc1ccc(/N=N/C(=N/Nc2ccccc2)c2ccccc2)cc1 33614010 TYLDKKLAWINVKP-FWOYJBNGSA-N 314.392 5.553 30 50 DKEA CCCCCCCCCCCCCCOc1ccc(N)cc1 100310551 SGHYUZKXTRJREF-UHFFFAOYSA-N 305.506 6.349 30 50 DKEA CC1(C)CC(=O)C=C(Nc2ccccc2Oc2ccccc2)C1 260266 TZKYDNZXJDEXSQ-UHFFFAOYSA-N 307.393 5.164 30 50 DKEA C/C(=N\Nc1nc(-c2cccs2)cs1)c1ccc(C)cc1 43761246 RZMXMOCECQBJBV-LDADJPATSA-N 313.451 5.016 30 50 DKEA FC(F)(F)/C(=N/Sc1ccc(Cl)cc1)c1ccccc1 100486487 MLKGGMYFJMQESH-CPNJWEJPSA-N 315.747 5.399 30 50 DKEA CCCCCCCC1CCC(c2ccc(C(=O)O)nc2)CC1 3014603 NHAMQVIIUBEEJE-UHFFFAOYSA-N 303.446 5.414 30 50 DKEA N#Cc1cc(Oc2ccccc2)c(Oc2ccccc2)cc1C#N 44896 WLHHJDXXVXXPPI-UHFFFAOYSA-N 312.328 5.015 30 50 DKEA CCCCCCCOc1ccc(OCCCCCCC)cc1 78693853 JOCJNJPMMBGQCC-UHFFFAOYSA-N 306.490 6.385 30 50 DKEA in-vitro Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1228330 HIGUNDFMCVHYBH-PXLXIMEGSA-N 301.389 5.325 30 50 DKEA CCCCCCCC/C=C/CCCCCCCCCC(=O)O 85617657 BITHHVVYSMSWAG-MDZDMXLPSA-N 310.522 6.889 30 50 DKEA endogenous,in-man CCCCCCCCCCCCSC(=S)SCC#N 100032812 URUIKGRSOJEVQG-UHFFFAOYSA-N 317.589 6.182 30 50 DKEA O=C(/C=C/c1ccccc1)/C=C/c1ccc(Cl)cc1Cl 2142507 GBJHNPAIDVVEIQ-NSJFVGFPSA-N 303.188 5.289 30 50 DKEA CCCCc1ccc(/N=C/Nc2ccc(CCCC)cc2)cc1 3086218 IHTRDRNZJJAWTB-UHFFFAOYSA-N 308.469 6.144 30 50 DKEA Cc1cccc(C)c1/N=C/c1c2ccccc2cc2ccccc12 2162221 NBNPXDCBJPOYDA-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA COc1ccc2c(c1)CCC/C2=N\c1ccccc1C(F)(F)F 13465872 QLVSBOUXFHTQHA-CJLVFECKSA-N 319.326 5.171 30 50 DKEA C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1 248161505 OXPUOKDPOMJNKA-GUJRETQESA-N 310.525 7.041 30 50 DKEA in-vitro CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1 2030426 HXBKPYIEQLLNBK-UHFFFAOYSA-N 310.437 5.955 30 50 DKEA biogenic,in-vitro Clc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 293043 SBAFZHVHAYIGBC-HYARGMPZSA-N 321.807 5.670 30 50 DKEA N#CC[C@H](c1ccccc1)[C@@H](C#N)c1c(Cl)cccc1Cl 401071 VTVRCNUPRKCJDF-ZIAGYGMSSA-N 315.203 5.298 30 50 DKEA C=CCCCCCCCCC(=O)Nc1cc(Cl)ccc1C 1738623 HOAUAUPTPGUPCE-UHFFFAOYSA-N 307.865 5.894 30 50 DKEA C=CCC(CC=C)(NC(=S)Nc1ccccc1)c1ccccc1 125486 OEVWBFKEWJMHPJ-UHFFFAOYSA-N 322.477 5.021 30 50 DKEA CCCCCCCCCCCCNC(=O)COc1ccccc1 100700874 HPMWWKQOSRPJTA-UHFFFAOYSA-N 319.489 5.103 30 50 DKEA CCCCCCCCCCCCCCCC[n+]1ccc(C)cc1 72135793 PFAUBIHDAOTBBK-UHFFFAOYSA-N 318.569 6.764 30 50 DKEA in-vitro CC[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)cc1 4825310 CFEZWRXXDBOXQG-DLBZAZTESA-N 304.220 5.794 30 50 DKEA Cc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl 100105852 NBLNROPQQOJKHR-KEBDBYFISA-N 315.203 5.601 30 50 DKEA O=C1/C(=C/c2ccc(F)cc2)CCC/C1=C\c1ccc(F)cc1 4482197 STPNBQOTKFPYEG-UNZYHPAISA-N 310.343 5.185 30 50 DKEA CCCCCCCCCCCCCCCCCc1ccccc1 95697011 ZMPPFNHWXMJARX-UHFFFAOYSA-N 316.573 8.101 30 50 DKEA CCCC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1 168520611 SWBDNGLRVPDNSS-UHFFFAOYSA-N 316.488 6.469 30 50 DKEA N#CC[C@H](c1ccccc1)[C@@H](C#N)c1cc(Cl)ccc1Cl 401095 XANPCKLAIPOZMN-GDBMZVCRSA-N 315.203 5.298 30 50 DKEA C[C@H]1C/C(=C/c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 245312788 XAFUACCGKZJENE-KZMPDLLWSA-N 324.370 5.431 30 50 DKEA N#CC[C@@H](c1ccccc1)[C@H](C#N)c1c(Cl)cccc1Cl 401074 VTVRCNUPRKCJDF-KBPBESRZSA-N 315.203 5.298 30 50 DKEA CC[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)cc1 4825316 CFEZWRXXDBOXQG-IAGOWNOFSA-N 304.220 5.794 30 50 DKEA CC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)C#N)c1 91301852 OQNXXSOKIYYHPZ-UHFFFAOYSA-N 307.437 5.364 30 50 DKEA CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O 4655377 MEASLHGILYBXFO-XTDASVJISA-N 318.457 5.396 30 50 DKEA endogenous,in-man CN(C)c1ccc(/C=N/[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 245312328 UJOMJJHNDJDJKO-HETPIVLFSA-N 322.496 5.231 30 50 DKEA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1 4158532 PCXWZSIWRKRVQC-ZRDIBKRKSA-N 308.764 5.496 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCOC(C)=O 59725366 GYGAZRPDUOHMAF-KHPPLWFESA-N 310.522 6.587 30 50 DKEA in-vitro O=C1C(=C2SCCCS2)CCC/C1=C\c1ccc(F)cc1 221275689 IKXNLLJCZVWINM-ACCUITESSA-N 320.454 5.044 30 50 DKEA CCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1 97950862 LKDHOQRUQANLKJ-UHFFFAOYSA-N 310.869 5.602 30 50 DKEA CCCCCCCCCCCCOc1ccccc1NC(C)=O 80906780 GYWGKBMXOOAFBK-UHFFFAOYSA-N 319.489 5.945 30 50 DKEA C=CCN(CC=C)Cc1ccc2ccc3cccc4ccc1c2c34 5283052 LAROARVBVCCAFP-UHFFFAOYSA-N 311.428 5.758 30 50 DKEA CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 38143715 AMKNOBHCKRZHIO-UHFFFAOYSA-N 322.445 5.093 30 50 DKEA biogenic,in-vitro Fc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 297461 RGHWACDWPOEJKV-HYARGMPZSA-N 305.352 5.155 30 50 DKEA CCCCCCCCCCC/C(=N\O)c1cc(C)ccc1O 14243957 OOXQDZTUGOJLHK-CZIZESTLSA-N 305.462 5.800 30 50 DKEA CCCCCCCCCCCC(=O)c1ccc(OC)c(OC)c1 101472575 VBACXMNKZNSGLO-UHFFFAOYSA-N 320.473 5.807 30 50 DKEA C=CCCCCCCCC[C@@]12CCCC[C@@H](CC1)S2(=O)=O 43199196 UAOQCGKFOUVVJG-ZWKOTPCHSA-N 312.519 5.183 30 50 DKEA CC[C@@H](/N=C(/S)NC1CCCCC1)c1ccc(C(C)C)cc1 13774568 BDFMQTUINOIBBW-GOSISDBHSA-N 318.530 5.469 30 50 DKEA CCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 100720194 IDEJWAGHKINEMS-UHFFFAOYSA-N 316.272 6.073 30 50 DKEA Cc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 8829709 UGGKCIDKXJHTRS-HNNXBMFYSA-N 311.812 5.091 30 50 DKEA C#CC[C@@]1(Cc2ccccc2)[C@@]2(c3ccccc3)[C@H]3CC[C@H]3[C@]21C 71785940 WFHGBYATWQTJSQ-DFWAIWNTSA-N 312.456 5.237 30 50 DKEA N#CC[C@H](c1ccccc1)[C@H](C#N)c1c(Cl)cccc1Cl 401073 VTVRCNUPRKCJDF-KGLIPLIRSA-N 315.203 5.298 30 50 DKEA CCCCCCCCCC(=O)NCCc1ccc(Cl)cc1 100720102 XPHAICYMDWBKLC-UHFFFAOYSA-N 309.881 5.139 30 50 DKEA FC(F)(F)c1ccc(N=C2c3ccccc3-c3ccccc32)cc1 3091658 BKOFRRRTLKGNBM-UHFFFAOYSA-N 323.317 5.855 30 50 DKEA CCCCCCCCCCOc1ccc(/C=C/[N+](=O)[O-])cc1 3130917 PPPOXKGZLFCWTM-CCEZHUSRSA-N 305.418 5.454 30 50 DKEA Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1Cl 100033239 ZUTWJIKLXFXBQX-REZTVBANSA-N 300.572 5.103 30 50 DKEA Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)c(Cl)c2)cc1 449024 DJPGQDUGSZXJNU-CMDGGOBGSA-N 306.192 5.110 30 50 DKEA CCCCc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 2164012 NEOBOZTUWRXBGD-PXLXIMEGSA-N 303.405 5.639 30 50 DKEA CCCCCCCCCCCCCCCCCCCCCCC 6920416 FIGVVZUWCLSUEI-UHFFFAOYSA-N 324.637 9.218 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCOc1ccc(NC(C)=O)cc1 100816462 LTPUQNNGCADCGY-UHFFFAOYSA-N 319.489 5.945 30 50 DKEA O=C1C[C@@H](c2ccccc2)C(c2ccccc2)=C1c1ccccc1 2518865 WDSHVJFXENTSBF-FQEVSTJZSA-N 310.396 5.354 30 50 DKEA O=C(/C=C/Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 305472 DZYOBZZMSCZGAY-FOCLMDBBSA-N 315.372 5.287 30 50 DKEA CCCCCCCCCCc1ccc(Br)s1 100302207 BLGUNQPKOOEOHU-UHFFFAOYSA-N 303.309 6.194 30 50 DKEA in-vitro CCCCCCCCCCCC(=O)N(CCCC)CCCC 81139339 MFARGUPPFBTESX-UHFFFAOYSA-N 311.554 6.336 30 50 DKEA C=CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2308214 KEIAOISRJDRXMT-UHFFFAOYSA-N 312.825 5.228 30 50 DKEA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O 8860488 UNSRRHDPHVZAHH-YOILPLPUSA-N 306.490 6.441 30 50 DKEA endogenous,in-man CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N 470701 HAMIATGELIRABO-UHFFFAOYSA-N 308.431 5.071 30 50 DKEA Cc1ccc(/N=C/c2c3ccccc3cc3ccccc23)c(C)c1 2171040 GPQSKHRGVFDOJJ-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA CCCCCCCCCCCCCCCCCCn1cccc1 100025680 BMSMIJNAHWEOBQ-UHFFFAOYSA-N 319.577 7.750 30 50 DKEA CC1=C(O)C(=O)C2=C(CCCC2(C)C)[C@]1(C)CCc1ccoc1 1772820334 JBEPPXAPCJSSRV-HXUWFJFHSA-N 314.425 5.140 30 50 DKEA Clc1ccc(/C=N/c2cccc3ccccc23)c(Cl)c1 17040945 BRXCPSBDFLHKDN-RGVLZGJSSA-N 300.188 5.897 30 50 DKEA Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cl)cc1 101039 ZBTJSQXBMJGBPW-REZTVBANSA-N 300.572 5.103 30 50 DKEA Cc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1C 2170891 BKIMZIUQLSWFMX-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA CCCCCCCCCCCCCCCCc1cccs1 100883002 PJBTZAOJLKQEES-UHFFFAOYSA-N 308.575 7.772 30 50 DKEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C2 100261805 JEQNRICCZJTQDS-SUMWQHHRSA-N 323.358 5.026 30 50 DKEA C=CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 95705006 NXTLUQFOTQPMOD-UHFFFAOYSA-N 309.453 5.472 30 50 DKEA in-vitro C=C(C)C(C)(C)CC(=O)c1cn(CCCCC)c2ccccc12 95705066 NBJHWTCAQOYUND-UHFFFAOYSA-N 311.469 6.007 30 50 DKEA in-vitro CCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 2142416 XJLPRGCCOKALQQ-UHFFFAOYSA-N 316.272 6.073 30 50 DKEA CCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1 100720235 JSGSYZAQDODVAX-UHFFFAOYSA-N 319.489 6.032 30 50 DKEA O=C1C=C(Nc2ccc(Cl)cc2Cl)C[C@@H](c2ccco2)C1 17028577 MKRVMPJGFCWINB-SNVBAGLBSA-N 322.191 5.029 30 50 DKEA C=C(C)C[C@@H]1C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 25691275 GHHYZDXRSWWGNV-WLHNKGNISA-N 314.428 5.065 30 50 DKEA C=C(C)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)[C@@]3(C)CC(=C)C[C@H]3[C@]21C 71786418 SCIHIKWLECBJIL-YWSMEWDHSA-N 314.513 5.957 30 50 DKEA C[C@@H]1[C@@H]2C[C@H](C(=C3\C[C@@H]4C[C@@H]3[C@@H](C)C4(C)C)/C2=N/O)C1(C)C 252394247 CCDHTPVHZBYPLL-KERIUTIPSA-N 301.474 5.127 30 50 DKEA CCCCCCCCCCCCNC(=O)c1ccccc1OC 100684535 IKWNXMJMUHWESM-UHFFFAOYSA-N 319.489 5.346 30 50 DKEA CCCCCCCCCCCCNC(=O)c1ccccc1O 100071150 ZETBIRNOTNNZCM-UHFFFAOYSA-N 305.462 5.043 30 50 DKEA CCCCCCCCCCCCNC(=O)c1ccc(C)cc1 97976933 QEWPCHBQPNIASK-UHFFFAOYSA-N 303.490 5.646 30 50 DKEA CCCCCCCCCCCCCCC[C@@H]1CCCC(=O)C1 101016821 WHOBFGJNSZKKOY-HXUWFJFHSA-N 308.550 7.227 30 50 DKEA CCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC 85885570 OUFCLLRNNJZLOX-GOSISDBHSA-N 314.510 5.392 30 50 DKEA Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1 61245 LTRXHTNIQLGEJM-KEBDBYFISA-N 316.187 5.603 30 50 DKEA C=C(C)C[C@@H]1C[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4775376 GHHYZDXRSWWGNV-XTBBPQLWSA-N 314.428 5.065 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCCCCCO 96095581 CFOQKXQWGLAKSK-KTKRTIGZSA-N 324.593 7.577 30 50 DKEA in-vitro CCCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 101727927 IMYVGWYZDWHSMP-UHFFFAOYSA-N 320.433 5.454 30 50 DKEA C/C(=N/Nc1nc2ccccc2s1)c1ccc2ccccc2c1 4610972 LEPLXYCVJIMSSP-BKUYFWCQSA-N 317.417 5.286 30 50 DKEA C=C(C)c1ccc(C)cc1-c1c(O)cc(CCCCC)cc1O 13382976 TWKHUZXSTKISQC-UHFFFAOYSA-N 310.437 5.839 30 50 DKEA biogenic,in-vitro C=CCCCCCCCCCCCCCCCCCCCC 59674948 SPURMHFLEKVAAS-UHFFFAOYSA-N 308.594 8.604 30 50 DKEA biogenic,in-vitro C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 2863399 IGLSGJNUJLTZTM-HNNXBMFYSA-N 316.429 5.474 30 50 DKEA CCCCCCCCCCCCCCCCc1ccc(N)cc1 6830024 RBCCQATUVPNPGQ-UHFFFAOYSA-N 317.561 7.293 30 50 DKEA c1ccc(/N=N/C(=N\Nc2ccccc2)c2cccs2)cc1 100008643 YYNVZGCGVPELJN-ZJTHLCGRSA-N 306.394 5.306 30 50 DKEA in-vitro CCCCCCC[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1 245189312 RHHMSVOVPSNAEC-QAQDUYKDSA-N 302.458 6.019 30 50 DKEA CCCCCCCO[C@@]1(c2ccccc2)OC(=O)c2ccccc21 8829801 KHSAIRWSAIACLJ-NRFANRHFSA-N 324.420 5.045 30 50 DKEA Cc1cc(C)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 303475 WWAQQGKDGNBIGZ-UHFFFAOYSA-N 323.248 5.169 30 50 DKEA CCCCCCCCCCCCOc1ccc([S@](C)=O)cc1 100813775 QJQNZPVJCGCSDP-JOCHJYFZSA-N 324.530 5.724 30 50 DKEA C=CCCCCCC[C@@]1(O)[C@@]2(C)CC[C@@H](C2(C)C)[C@]1(O)CC=C 257356968 LIOAOAPZTHFEEQ-MJUUVYJYSA-N 320.517 5.007 30 50 DKEA O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccccc1 5279071 CBDLLBDTLMYFRZ-FOCLMDBBSA-N 314.384 5.162 30 50 DKEA Clc1ccc(/C=N/c2ccc(Cl)cc2Cl)c(Cl)c1 3199908 RRFPPNUZXMNIBU-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA C=C(C)CN(CC)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 4988719 YAWSFELLMYTDHZ-UHFFFAOYSA-N 317.517 5.385 30 50 DKEA CN(C)/C=N/c1ccc(/N=N/c2ccccc2)c2c1CCCC2 102193125 XRKQZBOLSRMQLT-CZPSDBATSA-N 306.413 5.202 30 50 DKEA O=C1C(=C(c2ccccc2)c2ccccc2)C=Cc2ccccc21 3122306 VUUVHDZVBPDIOJ-UHFFFAOYSA-N 308.380 5.398 30 50 DKEA O=C1C=CC(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C=C1 39642642 PLFHCHUCVDRUTA-UHFFFAOYSA-N 324.379 5.091 30 50 DKEA CCOc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 5068516 RTHRLGGMMVPZDZ-NTCAYCPXSA-N 302.373 5.135 30 50 DKEA CCCCCCCCCCCCOc1ccccc1[N+](=O)[O-] 100651450 DXCTUMLYTQODSP-UHFFFAOYSA-N 307.434 5.895 30 50 DKEA CC1CCC(=NNc2nc(-c3ccc(Cl)cc3)cs2)CC1 27529344 HJKNANBCCFIUBG-UHFFFAOYSA-N 319.861 5.442 30 50 DKEA C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1 33833314 MHVJRKBZMUDEEV-XIHRTOKZSA-N 302.458 5.206 30 50 DKEA biogenic,in-vitro CCCCCCCCCCCCCCCCOC(=O)[C@H](C)O 100015091 WUKXMJCZWYUIRZ-SFHVURJKSA-N 314.510 5.392 30 50 DKEA Fc1ccc(N=Cc2ccc(C=Nc3ccc(F)cc3)cc2)cc1 18212525 VBCDABROGMPOGB-UHFFFAOYSA-N 320.342 5.466 30 50 DKEA O=C(Nc1cccc2ccccc12)O/N=C\c1ccccc1Cl 16667690 RDYSSHHWKMLHCB-NDENLUEZSA-N 324.767 5.076 30 50 DKEA Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1cccs1 4014241 WLMGZTKXNRAXNJ-MDZDMXLPSA-N 311.431 5.076 30 50 DKEA Cc1cc(-c2ccccc2)nc(SCc2ccccc2)c1C#N 34743 KDKGFTOVSZSDHN-UHFFFAOYSA-N 316.429 5.221 30 50 DKEA Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 4076123 VOSSWBSPKPJPLA-ZRDIBKRKSA-N 306.336 5.290 30 50 DKEA CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C 97944294 PZQSQRCNMZGWFT-QXMHVHEDSA-N 324.549 6.976 30 50 DKEA CCOc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1 100242787 LUDUFWJVVJFTRQ-UDWIEESQSA-N 310.784 5.038 30 50 DKEA Cc1cccc(N/C=C\C(=O)c2ccc(Cl)c(Cl)c2)c1C 2325809700 ZQHUNNHLJDNRIQ-HJWRWDBZSA-N 320.219 5.419 30 50 DKEA Cc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1C 458985 RJFZWOKZJHLKRZ-BQYQJAHWSA-N 320.219 5.419 30 50 DKEA CC1(C)CC(=O)C=C(Nc2ccc(Oc3ccccc3)cc2)C1 4178294 YBHYRSSMNUDGQM-UHFFFAOYSA-N 307.393 5.164 30 50 DKEA Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 100003558 IWNBEFDVKWCBFY-HYARGMPZSA-N 305.352 5.155 30 50 DKEA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\O)C2=O 257346067 QDATXTHLLOKPTJ-WFWGFHEOSA-N 302.458 5.040 30 50 DKEA CCCCCCCC/C=C\CCCCCCCCCC(=O)OC 100085974 RBKMRGOHCLRTLZ-KHPPLWFESA-N 324.549 6.977 30 50 DKEA in-vitro N#CC[C@H](c1ccccc1)[C@H](C#N)c1ccc(Cl)cc1Cl 401077 XJMPIDDNARIXKG-ZBFHGGJFSA-N 315.203 5.298 30 50 DKEA N#Cc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1C#N 285421 VKKYBNOJKAYSPI-UHFFFAOYSA-N 302.377 5.270 30 50 DKEA CCCCCCCCCCCCOC(=O)[C@@H](CC)CCCC 111399914 YLKDIPABJFXZRY-IBGZPJMESA-N 312.538 6.667 30 50 DKEA CCCCC/C=C/C=C1\C(=O)C=C[C@@H]1C/C=C/CCCC(=O)O 38139032 VHRUMKCAEVRUBK-XOVNXQNQSA-N 316.441 5.006 30 50 DKEA in-vivo C=CCCCCCCCCC[C@@](C)(O)[C@](C)(O)CCCC=C 43198561 RWOFXRILMUGXIZ-WOJBJXKFSA-N 310.522 5.542 30 50 DKEA CCCCCCCCCCCC[S@](=O)c1ccc(C)cc1 101013409 FQXKCBVRCBMPEX-OAQYLSRUSA-N 308.531 6.024 30 50 DKEA COc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 4950923 XUENGMINNLNGRC-FOCLMDBBSA-N 314.384 5.258 30 50 DKEA Cc1c(C)c(C)c(CS/C(N)=N\c2ccccc2)c(C)c1C 6520336 SLPKRJPHEKQLFO-UHFFFAOYSA-N 312.482 5.108 30 50 DKEA CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)CC1 245204523 CRCASZFDSWMENA-UAPYVXQJSA-N 303.449 6.299 30 50 DKEA in-vitro CCN1/C(=C\C=Nc2ccccc2)Sc2ccc(Cl)cc21 575114945 NUEASFRQKFDJLQ-ZYNUAKMPSA-N 314.841 5.516 30 50 DKEA CCCCCCCCCCCCCCCCCc1nc(N)n[nH]1 1267971649 QQGWGESQLZHLOI-UHFFFAOYSA-N 322.541 5.801 30 50 DKEA CCCCCCCCCCCCNC(=O)c1ccc(OC)cc1 100719376 KVEZPQNBMSQMQU-UHFFFAOYSA-N 319.489 5.346 30 50 DKEA CCCCCCCCC/C(=N\O)c1ccc(OCCC)cc1O 100166353 FZMBEQQNEZPYBB-CZIZESTLSA-N 321.461 5.500 30 50 DKEA Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1C 1227017 ZVJAFLAEIGUKIK-HZHRSRAPSA-N 315.416 5.633 30 50 DKEA CCCCCCCCCCCCCCCC(=O)SCCO 205662614 ZYOJXMGEIQVOSR-UHFFFAOYSA-N 316.551 5.720 30 50 DKEA C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1 9331819 FVUWNXLSMFZKBU-ZUOKHONESA-N 321.445 5.199 30 50 DKEA CCCCCCCCCCCCCCCCOS(=O)(=O)O 58540927 LPTIRUACFKQDHZ-UHFFFAOYSA-N 322.511 5.287 30 50 DKEA in-vitro CCCCCCCCC[N+](C)(C)Cc1c[nH]c2ccccc12 3132214 KLAGSNOYYGNXPZ-UHFFFAOYSA-N 301.498 5.495 30 50 DKEA CCCCCCCCCCc1ccsc1Br 100009153 YCWPDFSNGOICAB-UHFFFAOYSA-N 303.309 6.194 30 50 DKEA in-vitro O/C(=N/CC(Cl)=C(Cl)Cl)C12CC3CC(CC(C3)C1)C2 328589306 RLMDEQZPRFHREL-UHFFFAOYSA-N 322.663 5.045 30 50 DKEA COc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 2170841 PIZCGTWWUXHKQT-HZHRSRAPSA-N 311.384 5.752 30 50 DKEA Cc1cccc(N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c1 5942925 BESTWZHHXZPXDA-NDENLUEZSA-N 310.784 5.354 30 50 DKEA Cc1cccc(Oc2nccc(-c3ccccc3)c2C#N)c1C 1401929 IRZRXPUMOSGCHH-UHFFFAOYSA-N 300.361 5.029 30 50 DKEA CN(C)c1ccc(/C=C2\CCC/C(=C\c3cccs3)C2=O)cc1 4693053 WISBRVIBVPLGKK-DISAMGIASA-N 323.461 5.034 30 50 DKEA C/C(=C\C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 6492598 FLJFDYPPRAGEJU-PKNBQFBNSA-N 306.192 5.192 30 50 DKEA N#CC[C@@H](c1ccccc1)[C@@H](C#N)c1cc(Cl)ccc1Cl 401096 XANPCKLAIPOZMN-GOEBONIOSA-N 315.203 5.298 30 50 DKEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc3ccccc13)C2 100261830 MAPMJQWYVPZZFS-HRAATJIYSA-N 305.421 5.161 30 50 DKEA CN(C)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 2167350 LSEDTNJRQOKCEB-CJLVFECKSA-N 316.404 5.296 30 50 DKEA CCN1C(=CC(C)=NCc2ccccc2)Sc2ccccc21 1857524763 BKIFMBDBBCZGIW-UHFFFAOYSA-N 308.450 5.121 30 50 DKEA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CC#N 1857741693 JPDIISCNKYBMAY-MIDILNBFSA-N 315.501 5.064 30 50 DKEA N#CC[C@@H](c1ccccc1)[C@@H](C#N)c1c(Cl)cccc1Cl 401072 VTVRCNUPRKCJDF-UONOGXRCSA-N 315.203 5.298 30 50 DKEA N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl 1397648 FNTBAGYZSZACMP-LLVKDONJSA-N 322.166 5.013 30 50 DKEA FC(F)(F)/C(=N\Sc1ccc(Cl)cc1)c1ccccc1 1882413 MLKGGMYFJMQESH-UYRXBGFRSA-N 315.747 5.399 30 50 DKEA CC1=C/C(=C2\C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O 100048188 UTSXCYFVGSFPGR-NXVVXOECSA-N 324.464 5.286 30 50 DKEA CC(C)(C)c1ccc(/C=N\Nc2nc3ccccc3s2)cc1 32624026 RPTVVRZOVZBRQS-UNOMPAQXSA-N 309.438 5.040 30 50 DKEA C[C@H]1[C@@H]2C[C@H](C(=C3\C[C@@H]4C[C@@H]3[C@@H](C)C4(C)C)/C2=N/O)C1(C)C 252394246 CCDHTPVHZBYPLL-JPYGPGTKSA-N 301.474 5.127 30 50 DKEA CCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1 71782905 OSHXYOPATMTISG-UHFFFAOYSA-N 307.482 6.913 30 50 DKEA Oc1ccc2ccccc2c1/C=N/c1cc(Cl)cc(Cl)c1 61247 SFMATYCRGKODHP-KEBDBYFISA-N 316.187 5.603 30 50 DKEA CCSc1nc(C2CC2)cc(-c2ccc(Cl)cc2)c1C#N 236097 FBNMSVHAAJEWBG-UHFFFAOYSA-N 314.841 5.263 30 50 DKEA CCCCCCCCCCCC(=O)c1ccc(O)c([N+](=O)[O-])c1 2519728 YNAWJDFAZAYNNA-UHFFFAOYSA-N 321.417 5.404 30 50 DKEA CCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 100076968 KIOSHBXNKOBBCM-UHFFFAOYSA-N 320.473 5.773 30 50 DKEA Clc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Cl 4365006 ASMRUCJMYFRMHJ-CAOOACKPSA-N 322.220 5.049 30 50 DKEA Oc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1O 5369964 QULQHUWRDHHTNU-LCHYZJQESA-N 317.348 5.264 30 50 DKEA CCCCCCCCCCSCCCCCCCCCC 100022519 RKYMVQJWYYOIJB-UHFFFAOYSA-N 314.623 8.001 30 50 DKEA O=C(/C=C/c1ccccc1OCc1ccccc1)c1cccs1 5059773 AVFMWTWKEKATEN-OUKQBFOZSA-N 320.413 5.223 30 50 DKEA CCCCCCCCCCCCNC1=CC(=O)CC(C)(C)C1 101022764 UMYJCLWBFQXDQG-UHFFFAOYSA-N 307.522 5.770 30 50 DKEA CC[C@H](/N=C(/S)NC1CCCCC1)c1ccc(C(C)C)cc1 13774570 BDFMQTUINOIBBW-SFHVURJKSA-N 318.530 5.469 30 50 DKEA COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 498014 IVDHWKNCERDYOE-RCCKNPSSSA-N 303.361 5.238 30 50 DKEA CCCCCCCCCCCCCCC[C@@H]1CCCC(=O)O1 59721730 LLPDOHGLBDHCJZ-LJQANCHMSA-N 310.522 6.563 30 50 DKEA in-vitro CC(=O)c1cccc(N=C(C)C=C2Sc3ccccc3N2C)c1 1857797415 BPRZFHWVAJJMQH-UHFFFAOYSA-N 322.433 5.065 30 50 DKEA CCCCCCCCCCCCCCCCN1CC(=O)NC1=O 100025145 DRKXRVWPYXYCMR-UHFFFAOYSA-N 324.509 5.020 30 50 DKEA in-vitro C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CC#N 253566980 JPDIISCNKYBMAY-WZGFBNHNSA-N 315.501 5.064 30 50 DKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257357734 PQGMAKFMGGZKBA-CBTYKJQDSA-N 300.486 5.545 30 50 DKEA CN(C)c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 2171136 JPHLYBXHBAHXIZ-CJLVFECKSA-N 300.405 5.170 30 50 DKEA CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257357735 PQGMAKFMGGZKBA-JWPBWTMGSA-N 300.486 5.545 30 50 DKEA Cc1cc(C(=O)C[C@@H](C#N)c2ccc(Cl)cc2)ccc1Cl 1397845 RGLZFYDDKWJEJU-AWEZNQCLSA-N 318.203 5.182 30 50 DKEA CCCCCCCC[C@@H](CCCCCC)Cc1ccsc1 167106836 HDFZTBJTNXTFAS-LJQANCHMSA-N 308.575 7.628 30 50 DKEA Cc1cc(C)cc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 315657 GREUPZNJQARSOG-AATRIKPKSA-N 320.219 5.419 30 50 DKEA C(=N\C(c1ccccc1)c1ccccc1)\c1ccc2c(c1)CCC2 104224857 FDDPXZIFPZCSTA-ULJHMMPZSA-N 311.428 5.384 30 50 DKEA O=C(/C=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1 17111359 MIISRSIGNASENG-LFIBNONCSA-N 314.384 5.162 30 50 DKEA CCCCCC/C=C\CCCCCCCCCCCC(=O)O 85663738 URXZXNYJPAJJOQ-FPLPWBNLSA-N 310.522 6.889 30 50 DKEA endogenous,in-man CCCCCCCCCCCCCC(=O)CCCC(=O)OC 86037940 BVRPGVKJUHZXTH-UHFFFAOYSA-N 312.494 5.600 30 50 DKEA CCCCC[C@@H]1O[C@H]1C/C=C/CCCCCCCC(=O)OC 4544118 JTSVQVYMBXVLFI-HDDQXRTFSA-N 310.478 5.184 30 50 DKEA N#Cc1nc(-c2ccc(Cl)cc2)oc1Sc1ccccc1 1775976205 PINMQOJACZVQKO-UHFFFAOYSA-N 312.781 5.018 30 50 DKEA C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 245189210 ALFLDQIYGBNZCO-GARHLSDISA-N 304.424 6.231 30 50 DKEA Clc1ccc(/C=N/c2cc(Cl)ccc2Cl)c(Cl)c1 2171419 URPQZLJLBJZKCF-CNHKJKLMSA-N 319.018 6.051 30 50 DKEA Fc1cccc(/N=C/c2ccc(/C=N/c3cccc(F)c3)cc2)c1 2147189 FIUXCHHRADMEKS-RNIAWFEPSA-N 320.342 5.466 30 50 DKEA CCCCCCCCCCCCCCCC(=O)OCC(=O)O 100070285 WWGCHMDPOCCGQG-UHFFFAOYSA-N 314.466 5.096 30 50 DKEA CCCCCc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1 169877033 ZNSXCABBRJIRGJ-CCEZHUSRSA-N 300.251 5.064 30 50 DKEA Clc1ccccc1C=Nc1ccc2c(c1)Cc1ccccc1-2 254528625 RQANWMRAMAMUPT-UHFFFAOYSA-N 303.792 5.662 30 50 DKEA C=CCOc1ccc(C(C)(C)c2ccc(OCC=C)cc2)cc1 1597121 SCZZNWQQCGSWSZ-UHFFFAOYSA-N 308.421 5.142 30 50 DKEA CCCCC/C=C/C=C1/C=CC(=O)[C@@H]1CCCCCCC(=O)O 2569543 LDOCIRJMPUHXRM-YUJGFSRTSA-N 318.457 5.230 30 50 DKEA in-vitro C(=N/N=C/c1cccc2ccccc12)\c1cccc2ccccc12 1639608 QBEFRSDYCFCLQT-DFEHQXHXSA-N 308.384 5.446 30 50 DKEA Cc1cccc(-c2ccc(Oc3ccc(C#N)c(C#N)c3)c(C)c2)c1 567058 BPMLZXYGAFWVAA-UHFFFAOYSA-N 324.383 5.506 30 50 DKEA C=CCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 670418777 BPJFPFVOVWVSDK-UHFFFAOYSA-N 322.471 6.232 30 50 DKEA C/C(=N/N=C(c1ccccc1)c1ccccc1)c1cccs1 437071 HULVSJVSDJNHLL-HKWRFOASSA-N 304.418 5.010 30 50 DKEA C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 3947550 MHVJRKBZMUDEEV-APQLOABGSA-N 302.458 5.206 30 50 DKEA biogenic,in-vitro O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 7714905 IWKFCBADEWBWGL-DTQAZKPQSA-N 314.384 5.162 30 50 DKEA CCN1/C(=C/C=Nc2ccccc2)Sc2ccc(Cl)cc21 575114935 NUEASFRQKFDJLQ-SKJPKOHOSA-N 314.841 5.516 30 50 DKEA O=C(ON=C1CCCCCCCCCCC1)c1ccc(F)cc1 4118226 PNSMOSKBBZCJAL-UHFFFAOYSA-N 319.420 5.643 30 50 DKEA C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C(=O)O 1772820204 VLQWZUQLAWRAFU-JWQRUNHISA-N 302.458 5.372 30 50 DKEA C[C@@H]1CC/C(=N\Nc2nc(-c3ccc(Cl)cc3)cs2)C1 213752746 FDFJAFXMIJWFOL-BPLQLKKBSA-N 305.834 5.051 30 50 DKEA in-vitro Cc1ccc(C(=O)/C=C/Nc2cccc(Cl)c2Cl)cc1 449220 FXROHUXXHISGGF-MDZDMXLPSA-N 306.192 5.110 30 50 DKEA C=C(C)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5495193 UWFALNMGNVPONP-UHFFFAOYSA-N 320.430 5.909 30 50 DKEA Cc1ccc(C)c(N/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1776110919 DCXYXYJQAWCJAU-OUKQBFOZSA-N 307.437 5.409 30 50 DKEA CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2c(c1)OCO2 43761157 PPQZTRHYOZNJOA-SRZZPIQSSA-N 309.409 5.413 30 50 DKEA Clc1ccc(/N=C/c2ccc(Br)o2)cc1Cl 100391374 IXQDPTUEBBSYJO-GIDUJCDVSA-N 318.985 5.100 30 50 DKEA C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C)cc1 17886647 BWDSMVGXYSRJKS-UHFFFAOYSA-N 315.420 5.233 30 50 DKEA Cc1cccc(/N=C/c2ccc(/C=N/c3cccc(C)c3)cc2)c1 17821867 NXPCFNXVTJNYCN-DFEHQXHXSA-N 312.416 5.805 30 50 DKEA Clc1ccc(C=Nc2ccc3c(c2)Cc2ccccc2-3)cc1 254624495 IWRNISVIASUDSF-UHFFFAOYSA-N 303.792 5.662 30 50 DKEA CCCCCCCCCCCCCCCCc1ccccc1 59444908 DEQLTFPCJRGSHW-UHFFFAOYSA-N 302.546 7.710 30 50 DKEA CCCCCC/C=C\CCCCCCCCCCOC(C)=O 59696286 QSZKEDWVAOAFQY-HJWRWDBZSA-N 310.522 6.587 30 50 DKEA in-vitro CCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 100021765 VZOAOBWVYOLSII-UHFFFAOYSA-N 307.434 5.895 30 50 DKEA in-vitro CCN1/C(=C/C=Nc2ccccc2)Oc2ccc3ccccc3c21 257345583 BZPLUWXNYXSIGU-GKRQJNALSA-N 314.388 5.302 30 50 DKEA C=C[C@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 22009416 PITUINHIXKJYJX-FXVWLTTGSA-N 321.807 5.278 30 50 DKEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)C2 100261681 PWMVKYBBUBGPMG-SUMWQHHRSA-N 323.358 5.026 30 50 DKEA CCCCCCCCCCCCOc1ccc(C(C)(C)C)cc1 100438539 AUYPJCDTURCDRS-UHFFFAOYSA-N 318.545 7.284 30 50 DKEA C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C)c2C)c1 617127 KVDJXCUGKFSSBF-UHFFFAOYSA-N 322.452 5.393 30 50 DKEA N#Cc1cc2oc3ccccc3c3ccccc3oc2cc1C#N 197763 PVFZLUYQKODDBZ-UHFFFAOYSA-N 310.312 5.200 30 50 DKEA CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl 12648710 IDCQVOJVJUWHGK-UHFFFAOYSA-N 311.816 5.054 30 50 DKEA C/N=C1\CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 21300224 MGBVAZJASCWJGJ-ONBLHPBISA-N 304.220 5.338 30 50 DKEA CCCCCCCC[C@@H](CCCCCC)Cc1cccs1 141654811 OEKNWJQSAYEBFD-LJQANCHMSA-N 308.575 7.628 30 50 DKEA O=C1C[C@H](c2ccccc2)C(c2ccccc2)=C1c1ccccc1 8381573 WDSHVJFXENTSBF-HXUWFJFHSA-N 310.396 5.354 30 50 DKEA CCCCCCCCCCCCCCCCCCNC(C)=O 114090059 NOSILEXHUBACKG-UHFFFAOYSA-N 311.554 6.384 30 50 DKEA CCCCCCCCCCCCCCCC[S@](=O)CCO 100816015 KTTREPDTUQWRAK-OAQYLSRUSA-N 318.567 5.209 30 50 DKEA CCCCCCCCCCCC[S@@](=O)c1ccc(C)cc1 101013404 FQXKCBVRCBMPEX-NRFANRHFSA-N 308.531 6.024 30 50 DKEA O=C1/C(=C\Nc2cccc3ccccc23)Sc2ccccc21 100511760 CRFKLINFQDYEPJ-LDADJPATSA-N 303.386 5.082 30 50 DKEA C=CCCCCCCCCC(=O)Nc1ccc(SC)cc1 3080997 VJSKUARLVILOSA-UHFFFAOYSA-N 305.487 5.654 30 50 DKEA Cc1cc(C)cc(/N=C/c2c3ccccc3cc3ccccc23)c1 2170848 FDGHPJLKIPBPCI-BUVRLJJBSA-N 309.412 6.360 30 50 DKEA C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccnc2ccccc12 17147033 OEMXZWRIXXMIFX-MFKUBSTISA-N 320.395 5.557 30 50 DKEA CCCCCCCC(CCCCCCC)NCc1ccccc1 97950568 ZBHZVXWSWITJSA-UHFFFAOYSA-N 317.561 6.866 30 50 DKEA CCCCCCCCCCCC(=O)c1cccc(Cl)c1O 100730499 JQXYAQYNYLPANU-UHFFFAOYSA-N 310.865 6.149 30 50 DKEA CC(C)(C)c1ccc(COc2c(C#N)sc3ccccc23)cc1 4060181 XXWWLEKWCNQUBX-UHFFFAOYSA-N 321.445 5.649 30 50 DKEA C=CCSc1ncnc2scc(-c3ccc(Cl)cc3)c12 1911875 MWQVGUKDNPLCPX-UHFFFAOYSA-N 318.854 5.290 30 50 DKEA CCCCC/C=C\C=C1\C(=O)CC[C@@H]1C/C=C\CCCC(=O)O 64858029 AFBJLDUEEOOVHL-WKELIDJCSA-N 318.457 5.230 30 50 DKEA in-vitro CCCCCCCCCCOC(=O)CCCCCCCCC 100010088 XAKXZZPEUKNHMA-UHFFFAOYSA-N 312.538 6.811 30 50 DKEA CCCCCCCCCCCCOc1cccc(NC(C)=O)c1 101016483 RPRONSUYPNUFEW-UHFFFAOYSA-N 319.489 5.945 30 50 DKEA C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(O)cc1CCCCC 13816356 YWEZXUNAYVCODW-OALUTQOASA-N 314.469 5.847 30 50 DKEA biogenic c1ccc(C(=NNc2cccc3cccnc23)c2ccccc2)cc1 5946326 YFEOHDFZEUNZEY-UHFFFAOYSA-N 323.399 5.099 30 50 DKEA CC(C)c1cccc(C(C)C)c1NC(=O)ON=C1CCCCC1 4775526 SACRTBABMARYPL-UHFFFAOYSA-N 316.445 5.802 30 50 DKEA CCCCCCCCCCCCOc1ccc(C(=O)O)cc1 6845632 ALQLYJHDBAKLBB-UHFFFAOYSA-N 306.446 5.685 30 50 DKEA in-vitro O=C1/C(=C\C=C/c2ccccc2)CC/C1=C\C=C/c1ccccc1 12340173 QMOAOGJBIBSQOO-BNPRWQMMSA-N 312.412 5.629 30 50 DKEA CCCCCCCCCCCCCCCC[n+]1ccn(C)c1 17596241 DCLKMMFVIGOXQN-UHFFFAOYSA-N 307.546 5.794 30 50 DKEA in-vitro O=[N+]([O-])c1ccc(/C=N/[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 245239723 AGNSXOBSVWJNTP-ZIEHKSSRSA-N 324.424 5.073 30 50 DKEA COc1ccc(/C(=N\c2ccccc2)Nc2ccc(C)cc2)cc1 3122912 CMFNRVSLIIXSGQ-UHFFFAOYSA-N 316.404 5.194 30 50 DKEA CCCCCC/C=C\CCCCCCCCCCCCCCC 64858499 IRYCVIRCWSSJOW-SQFISAMPSA-N 322.621 8.994 30 50 DKEA in-vitro CCN1/C(=C\C=Nc2ccccc2)Oc2ccc3ccccc3c21 409415927 BZPLUWXNYXSIGU-ZFQGXMPGSA-N 314.388 5.302 30 50 DKEA CC(C)c1ccc(/C=C\C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 25666891 YPEKVBHDIMZUOU-CKOAPEAFSA-N 318.460 6.229 30 50 DKEA C/C(=C\C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 6492599 GAINXKLXTLABTA-PKNBQFBNSA-N 306.192 5.192 30 50 DKEA CCCCCCCCCCCCCCCCCCOC(C)=O 59725381 OIZXRZCQJDXPFO-UHFFFAOYSA-N 312.538 6.811 30 50 DKEA in-vitro Cc1ccc(NC2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)cc1 8411951 BWPXHLQDZDKORO-OAHLLOKOSA-N 311.812 5.091 30 50 DKEA Cc1ccc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)o1 469408 OWCDTEWDJUZNBE-BUHFOSPRSA-N 319.360 5.189 30 50 DKEA Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccccc3)ccc21 5090853 KQNFNMPCJUBMDQ-WYMLVPIESA-N 311.384 5.228 30 50 DKEA CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)cc1 4825307 CFEZWRXXDBOXQG-SJORKVTESA-N 304.220 5.794 30 50 DKEA Cc1cccc(C)c1N/C=C\C(=O)c1ccc(C(C)(C)C)cc1 1776111370 RDZCEBXLCBXCHO-YPKPFQOOSA-N 307.437 5.409 30 50 DKEA Cc1cc(C(=O)C[C@H](C#N)c2ccc(Cl)cc2)ccc1Cl 1397846 RGLZFYDDKWJEJU-CQSZACIVSA-N 318.203 5.182 30 50 DKEA CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 6920372 KVVSCMOUFCNCGX-UHFFFAOYSA-N 320.517 6.732 30 50 DKEA endogenous,in-man c1ccc(O/C(=N/c2ccc3ccccc3c2)c2ccccc2)cc1 4829604 DDZOPCMCSISQKV-WCWDXBQESA-N 323.395 5.997 30 50 DKEA Fc1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1 2147181 NOESLAHKGISRQJ-HYARGMPZSA-N 305.352 5.155 30 50 DKEA CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1 5018318 MFNBODQBPMDPPQ-UHFFFAOYSA-N 319.493 6.080 30 50 DKEA in-vitro CCCCCCCCCCCCOc1ccccc1NCC#N 101016210 UFJPSEHDPCYSAK-UHFFFAOYSA-N 316.489 5.922 30 50 DKEA CC(C)c1ccc([C@H](C)/N=C(/S)NC2CCCCC2)cc1 13931891 UFPGJQDSAYXGQJ-AWEZNQCLSA-N 304.503 5.079 30 50 DKEA CCCCCCCCCCCCCCCCc1ccsc1 95686666 FRVZSODZVJPMKO-UHFFFAOYSA-N 308.575 7.772 30 50 DKEA in-vitro [N-]=[N+]=Nc1ccccc1/C=C1/CCCc2cc3ccccc3nc21 4982139 DELDUOQXMNLGRE-LGMDPLHJSA-N 312.376 6.054 30 50 DKEA N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)[nH]c1=S 5604473 WVKLJNUEENJDOA-UHFFFAOYSA-N 322.820 5.603 30 50 DKEA Cc1ccc(-c2ccccc2)c(Oc2ccc(C#N)c(C#N)c2)c1 285299 STTLWJJPBCJXPS-UHFFFAOYSA-N 310.356 5.198 30 50 DKEA CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 4953758 DSSDTNJRWQHEEV-UXBLZVDNSA-N 321.203 5.288 30 50 DKEA Clc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 2161777 SDYFWESWCBUTLX-KGENOOAVSA-N 307.780 5.883 30 50 DKEA O=C(C=Cc1cccs1)c1ccc(Oc2ccccc2)cc1 2053467505 JQMIOKUAKXFGSE-UHFFFAOYSA-N 306.386 5.437 30 50 DKEA CCCCCCCCCCCCOc1cccc([N+](=O)[O-])c1 101016478 NBBZYQMHVGTXLI-UHFFFAOYSA-N 307.434 5.895 30 50 DKEA C=CCCCCCCCCC[C@](C)(O)[C@@](C)(O)CCCC=C 43198564 RWOFXRILMUGXIZ-PMACEKPBSA-N 310.522 5.542 30 50 DKEA C=CCOc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1 4811355 CJCLXVWBWFOHGQ-VMPITWQZSA-N 322.448 5.050 30 50 DKEA CCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)O 14953043 GURBRQGDZZKITB-VXBMJZGYSA-N 318.457 5.396 30 50 DKEA endogenous,in-man CCCCCCCC/C=C\CCCCCCCCCCCC#N 137546740 WNVYKFYGFCBJSI-KTKRTIGZSA-N 319.577 8.108 30 50 DKEA