smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCCCc5ccccc5)CC[C@@H]1[C@]23OO4 169340800 KQRWFKXRJIUUEU-VEXRKGFWSA-N 372.505 5.015 50 1 FKGF CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)C=C(/C=C/N=C(Cl)Cl)CC[C@@H]12 38542992 UGFPVWDJDIORFX-NNYSSPGYSA-N 350.717 5.075 50 1 FKGF Cc1nc2c(C)ccc3c2c(c1CCBr)-c1ccccc1C3=O 586993301 JRIUCDTUFGLEML-UHFFFAOYSA-N 366.258 5.000 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cccc2sc(C(=O)Cl)cc12 587921175 WLENAGZNLBEECN-UHFFFAOYSA-N 361.249 5.342 50 1 FKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]12)C[C@@]45C 2356288229 YRVGJZNTZPIKEG-VNBAYTPISA-N 370.533 5.291 50 1 FKGF Cc1cc(Cl)cc2c(CCBr)c(-c3ccc(F)cc3)[nH]c12 587624736 QASDDPBJNYYCNX-UHFFFAOYSA-N 366.661 5.873 50 1 FKGF CC(C)c1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498178 MFVYMBAFVFLKMG-HSZRJFAPSA-N 368.904 5.788 50 1 FKGF CC(C)(C)COP(=O)(CCCCCCN=C=S)OCC(C)(C)C 1772635637 KYLWCJHWZDHARX-UHFFFAOYSA-N 363.504 5.968 50 1 FKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 103521312 HWQYRDUFQNSGGY-QGZVFWFLSA-N 360.379 5.673 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996250 IQTFVIWVQFBBHE-AUSIDOKSSA-N 354.453 5.721 50 1 FKGF O=C(Cl)CCCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279764 RGXGDAMBAJSFIK-UHFFFAOYSA-N 365.813 5.410 50 1 FKGF CCCCC[C@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO)OO 102185584 PCIOUQYHTPPZEM-YLMOWEDUSA-N 368.470 5.153 50 1 FKGF CCCCC[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC)OO 238761526 RHUBLTIOJFCAFZ-TXCHIZOTSA-N 350.499 5.773 50 1 FKGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)CC4)-c1ccccc1C2=O 586992520 CLLMXNMYSDJQKQ-OAHLLOKOSA-N 364.242 5.137 50 1 FKGF CCCCCCCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 36176190 AVCKXTBTQNIPQF-UHFFFAOYSA-N 366.498 5.322 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(CCl)cc2c1OC(C)(C)C2 587911650 ZEAOATNZNIGSDW-UHFFFAOYSA-N 361.268 5.201 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1857589789 SGGKJQNZRVPQLT-GOSISDBHSA-N 362.772 5.246 50 1 FKGF CCCCCCCCCCCCCCCC(=O)NCCBr 43706313 VZONQUSMLYLWIQ-UHFFFAOYSA-N 362.396 5.979 50 1 FKGF O=C(Cl)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 958520491 ICGATVHOUUWMSI-UHFFFAOYSA-N 351.620 5.225 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)ccc1C)CC2=O 587460288 SNSOCPTVBKVJKL-OAQYLSRUSA-N 358.865 5.061 50 1 FKGF C=C(Cl)[C@@](Cl)(CBr)CC[C@@H](Cl)C(C)(C)Cl 1856134 MCVCWSYWDGWKFL-SCZZXKLOSA-N 356.946 5.516 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586973213 GVLBZMATDFPJRT-ZDUSSCGKSA-N 369.306 5.488 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc3ncccc3c2[nH]1 586973755 NYGRIBZWUQXIAX-GFCCVEGCSA-N 366.262 5.158 50 1 FKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]21)C[C@@]45C 2356288228 YRVGJZNTZPIKEG-PHCPYKDHSA-N 370.533 5.291 50 1 FKGF C=CCO/C(O)=C1\C(C)=NC(SCC)=C(C#N)[C@H]1c1ccc(Cl)cc1 17464201 IQMVJFVQLOPOGH-FDCFBWIESA-N 374.893 5.359 50 1 FKGF C=C(C)[C@@H](Br)C[C@H](Br)C(C)=CC(Cl)Cl 2356731906 KQHIOMQBBGDCNC-IUCAKERBSA-N 364.936 5.230 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC)s1)CC2=O 587496283 VLYOVWDSFGJCEH-LJQANCHMSA-N 364.894 5.068 50 1 FKGF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@]2(C)[C@@H]2C=C(C=O)CCC2=C1C 2356306399 LZTOXTYBXBMRNN-ODAXIHTASA-N 356.506 5.172 50 1 FKGF C[C@H]1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248262 APQFAJIOCXNYOD-PBNUPURSSA-N 352.481 5.178 50 1 FKGF CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](O)[C@]4(C)CC(C=O)=CC[C@@H]4[C@]3(C)CC[C@H]12 59779491 YJHVGMSCPWBUDS-HYUOFNBHSA-N 358.566 5.542 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1 587638657 HRFBYMJITSVJID-NSDYXAQKSA-N 355.953 6.888 50 1 FKGF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587497253 HZKYUVBAEZHSKC-QFIPXVFZSA-N 370.876 5.193 50 1 FKGF CCC=CCC=CC[C@H](C=CC=CCC=CCCCCCC(=O)O)OO 2356340754 XHMXFEYXNLBDKE-OAQYLSRUSA-N 362.510 6.241 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996287 CRQRHTHHFGOFLA-VGSWGCGISA-N 358.416 5.551 50 1 FKGF CCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532316 PLFCVIQQUOMCCR-FQEVSTJZSA-N 360.906 5.289 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(F)c1Cl 587915294 NVGJCAFYCXBQCB-UHFFFAOYSA-N 352.217 5.275 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587959010 BHTUIHHBQTZRBT-JSGCOSHPSA-N 374.378 6.567 50 1 FKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3cccc(F)c3c2CCCl)cc1 587632350 ALKILNMXRUZBKF-UHFFFAOYSA-N 373.855 5.206 50 1 FKGF CC(C)[C@H]1CC[C@H](C)C[C@H]1OSSO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 84756924 ZTQOUQGOZHUYNV-DNDRQTMDSA-N 374.656 7.153 50 1 FKGF Cc1cc([C@]2(CCCCCl)NCCc3ccc(F)c(C)c32)ccc1F 962301453 RXYLWWJWNURIAM-NRFANRHFSA-N 363.879 5.380 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@@]1(CC)C[C@](C=CC(=O)O)(CC)OO1 2356578280 LPSSNYLPAQXPPZ-TYPHKJRUSA-N 350.499 5.606 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587187580 IWLWTSFWYJDCLA-ZROIWOOFSA-N 352.235 5.006 50 1 FKGF O=C1c2ccccc2-c2cc(-c3cccc(N=C=S)c3)nc3cccc1c23 587208965 HTJPEONHVHOKPV-UHFFFAOYSA-N 364.429 5.848 50 1 FKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356481399 PAUIQDPAEDELMC-HSZRJFAPSA-N 366.545 6.190 50 1 FKGF O=C1C[C@@](CCl)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587530702 GXXRLSXGIVRCSF-GOSISDBHSA-N 367.297 5.380 50 1 FKGF S=C=NC=CCCCCCCCCCCCCCC=CN=C=S 2356486226 KDMVQZNXQUNVPK-UHFFFAOYSA-N 350.597 7.291 50 1 FKGF CCOc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@@H]2Cl)cc1 5811997 LUEUMZMLQMFQKP-SFHVURJKSA-N 365.256 5.503 50 1 FKGF CCCOc1ccc(-c2cc(OCCCl)c3cc(OC)ccc3n2)cc1 1857629460 STJUJTYPBATSOR-UHFFFAOYSA-N 371.864 5.317 50 1 FKGF CCCCCCCCCSC(=S)NN(C)C(=O)c1ccccc1 43411637 RIZANAGGSDKVHC-UHFFFAOYSA-N 352.569 5.032 50 1 FKGF CCO/C=N\C1=C(C#N)[C@@H](c2ccc(F)cc2)c2ccc3ccccc3c2O1 104476307 ATWOYXPFZDJQSL-IDEIYSCTSA-N 372.399 5.303 50 1 FKGF CC(C)=CCc1cc(C=C(C#N)C(C#N)=Cc2ccc(O)cc2)ccc1O 2356455256 MEHGRNDEWRTQNA-UHFFFAOYSA-N 356.425 5.121 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 253861297 BHBZTOVSDRPRQX-YQWXFNPWSA-N 366.542 5.774 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587187862 LRFKHNUFWIXMRY-MDWZMJQESA-N 359.376 5.547 50 1 FKGF CC1(C)C=Cc2cc(-c3ccco3)cc(/C=C(/C#N)c3ccc(O)cc3)c2O1 40747355 NENDHULSOSTBDB-ZHZULCJRSA-N 369.420 5.901 50 1 FKGF CC/C=C/[C@H](CC)C/C(C)=C\[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 73371448 QTIPTWPLMFIHPM-UCGRCWOMSA-N 352.515 5.685 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586973982 PKBZOMPLMXSTFJ-SECBINFHSA-N 367.649 5.402 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCCl)cc1 587628139 IXUFGRDYWQQNFL-UHFFFAOYSA-N 364.291 6.706 50 1 FKGF C=C(Cl)/C(=C\Br)CC[C@H](Br)C(C)(C)Cl 49553033 AWTHGCZBYVEAJW-XZLDQRQTSA-N 364.936 5.579 50 1 FKGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2ccco2)n1 195183322 WGBVZOGHFHXRQZ-HOCLYGCPSA-N 351.519 5.212 50 1 FKGF CCCCC/C=C\C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)OO)OO 102185567 FZVYTGLHRWEILG-UKNWISKWSA-N 368.470 5.153 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 85644961 HGRUNRAUYWALHI-IEEUIUKMSA-N 366.542 6.076 50 1 FKGF CCCOc1ccc(-c2cc(OCCCl)c3cccc(OC)c3n2)cc1 1857631417 BNPITETYZALTNX-UHFFFAOYSA-N 371.864 5.317 50 1 FKGF CC(=O)N[C@H](CCCC#CC=CCl)CCCCCCC(Cl)Cl 2356527456 ARWYVRRMHQNULF-MRXNPFEDSA-N 366.760 5.562 50 1 FKGF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H](Cl)CCCCC[C@H]2Cl 587500555 QAKNDVIQFRDKFW-QZTJIDSGSA-N 367.316 5.448 50 1 FKGF CC(C)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356617758 QAPDDLVCXDEXCQ-RBVMOCNTSA-N 366.501 5.219 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104044526 KURLKPUIPZNZAA-VGOFRKELSA-N 374.871 6.065 50 1 FKGF N#Cc1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587021262 GVKBYMAIMUPFNE-UHFFFAOYSA-N 352.313 5.215 50 1 FKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Br)CCC3 587102501 VVLLPPXPJSELCW-OAHLLOKOSA-N 364.242 5.219 50 1 FKGF CC/C=C\[C@H](CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 238785961 JOIXERUBSWWODE-HGYYXRGRSA-N 354.531 5.608 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccc(Cl)c1)CC2=O 587462328 YFLOOERJWPMTTL-IBGZPJMESA-N 365.256 5.098 50 1 FKGF ClP1(Cl)=NP(Cl)(Cl)=NP(N2CC2)(N2CC2)=N1 43676781 XQHDGMCDHMHISM-UHFFFAOYSA-N 360.877 5.425 50 1 FKGF COC(=O)C[C@@H]1OO[C@](C)(CC(C)=CC(C)=CCc2ccccc2)C[C@H]1C 2356548921 JWRNNTZFDDYDJM-UNWVZKJWSA-N 372.505 5.190 50 1 FKGF CCC=C[C@H](CC)CC=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356868867 XFGVHASPCNQRND-QEUVDIPISA-N 352.515 5.384 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586973979 PKBWOGICCMCYGT-LBPRGKRZSA-N 372.310 5.302 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(OC(F)F)c1 587915530 TUIIONZMNFSFNY-UHFFFAOYSA-N 365.788 5.084 50 1 FKGF CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825620 JELPBSMFTLNZQE-UHFFFAOYSA-N 372.605 5.284 50 1 FKGF CCC[C@@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431272 DJWSWNSZGWYSGH-XLIFZOOWSA-N 356.547 5.688 50 1 FKGF C=CCc1ccc(O)c(-c2ccc(OC)c(C[C@H](C)Br)c2)c1 70463297 RUVFYCSQNLFKOK-ZDUSSCGKSA-N 361.279 5.122 50 1 FKGF Oc1c(F)cc(F)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587133828 BYGDLWXAGDQSRI-UHFFFAOYSA-N 372.265 5.871 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587188272 OVPRKWDKTQWFDO-GHRIWEEISA-N 353.450 5.778 50 1 FKGF O=c1c([C@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)ccc12 45318861 FRBFVLSAIRIKPO-KRWDZBQOSA-N 359.859 5.287 50 1 FKGF O=c1c([C@H]2N=C(c3ccccc3)SS2)coc2ccc(Cl)cc12 43123318 FDDHNKHJQFHRAV-KRWDZBQOSA-N 359.859 5.287 50 1 FKGF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960783 BPQIXYNWUQKBST-DTWKUNHWSA-N 354.344 5.378 50 1 FKGF C[C@]1(Cl)C[C@](C)(Br)[C@@H](C=CCl)C[C@@H]1Br 2356587996 FMMSUHFXIOENCO-XKNYDFJKSA-N 364.936 5.064 50 1 FKGF CC(C)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356617757 QAPDDLVCXDEXCQ-IGABQKFOSA-N 366.501 5.219 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(CBr)c1 587898370 JNMJPSVMXGVGMI-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF Oc1noc2cccc(Nc3cccc(S(F)(F)(F)(F)F)c3)c12 1857651951 IQCZEHXSVULKON-UHFFFAOYSA-N 352.284 5.934 50 1 FKGF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)[C@H](Br)CCC(=C)[C@@]2(O)C1 2356744574 SPJZQPJMDFSONI-WTGUMLROSA-N 365.355 5.716 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996291 CRQRHTHHFGOFLA-VGOFRKELSA-N 358.416 5.551 50 1 FKGF C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(O[Si](CC)(CC)CC)[C@@H]12 206972224 ABDLPEHSGOOXGV-VNYTWHDVSA-N 362.586 5.385 50 1 FKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=O 2356456425 CTKROHWZDNWNMY-UHFFFAOYSA-N 350.546 7.386 50 1 FKGF C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(=C\Cl)[C@@H](Cl)Br 59778264 ZMUWHDFETXWZJR-RQMVPEMYSA-N 352.914 5.416 50 1 FKGF Fc1ccc(C[C@@H](Br)c2cc3c4c(cccc4n2)CC3)c(F)c1 587210406 RBAHAIWZUDXZEN-OAHLLOKOSA-N 374.228 5.290 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44418266 ZZSLGVAAMWQFDX-JLCRNFDHSA-N 356.547 5.989 50 1 FKGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2ccco2)n1 195183348 WGBVZOGHFHXRQZ-GOEBONIOSA-N 351.519 5.212 50 1 FKGF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586912774 XIAFBZFJJKVULY-MRVPVSSYSA-N 356.316 5.029 50 1 FKGF C=C(CC[C@@H]1C(=C)CC[C@H](Cl)C1(C)C)[C@H](Cl)CN=C(Cl)Cl 3964562 FLQWJRAWXIZXCK-MCIONIFRSA-N 371.179 6.364 50 1 FKGF biogenic Cc1oc(-c2ccc(Cl)cc2)cc1/C(O)=C(C#N)/C=N/c1ccccc1 101588113 WVLJCDHMLKOGCQ-XMLAWWABSA-N 362.816 6.104 50 1 FKGF C=C[C@]1(C)[C@@H](Cl)C[C@@H](C(=C)C)[C@H](c2c[nH]c3ccccc23)[C@@H]1N=C=S 238743391 GRQUFNAGGOBDNI-FARZLIQASA-N 370.949 6.119 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CBr)c(Cc3ccccc3)c2c1 587638044 CDAPWDPXPKTAMY-AWEZNQCLSA-N 356.307 6.167 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1 2356808052 YKBBPPFTBWBIRE-JYAXBFRTSA-N 352.515 5.685 50 1 FKGF COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=O 14619247 JMFNGSBVJBPGQR-IWRWKHRWSA-N 352.474 5.368 50 1 FKGF endogenous,in-man CC(C)c1cccc(C(C)C)c1NNC(=O)c1ccc(C(C)(C)C)cc1 653738035 CUTKYTFHLQPUGZ-UHFFFAOYSA-N 352.522 5.988 50 1 FKGF COc1ccc2c(c1)[C@](CCCl)(c1cccc(C)c1)N(C(C)C)CC2 962086785 CWBVHQKGGBZGMG-QFIPXVFZSA-N 357.925 5.143 50 1 FKGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(N=C=S)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)C#N 2356373051 QQXBCHYMIFYUTP-BFNUNYTFSA-N 356.579 5.742 50 1 FKGF Cc1cc(C)c(C(=O)O)c(SSc2cc(C)cc(C)c2C(=O)O)c1 1622909 FHCLOEXCMXHLHW-UHFFFAOYSA-N 362.472 5.116 50 1 FKGF N#C/C(=C/C=C\c1ccccc1)c1nc(-c2cc(F)ccc2F)cs1 587921722 VCDNECJINQBLAD-DWFRYJRFSA-N 350.393 5.709 50 1 FKGF CC(=CCO[Si](C)(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356497895 CKZQZHKPLHXPCT-FCHUYYIVSA-N 368.722 8.223 50 1 FKGF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](CCCCCl)Oc1ccccc1-3 27073932 YRVFOAARONPYKD-FQEVSTJZSA-N 367.920 6.804 50 1 FKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1F 587503420 GVLXQGVXPOEMPT-JOCHJYFZSA-N 372.867 5.421 50 1 FKGF C=C[C@@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl 1637289 OGRGXGGBTRUIDS-WPRPVWTQSA-N 366.952 5.106 50 1 FKGF biogenic N#C/C(=C/c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587187885 MJDASQLDIUYPEE-WDZFZDKYSA-N 358.626 5.043 50 1 FKGF C[C@]1(CCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327345 PJJCVEGKYPVXHS-UYAOXDASSA-N 362.828 5.058 50 1 FKGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCCl)cc1)CC2=O 587462492 ZTMIYOZTVZCIAJ-HXUWFJFHSA-N 374.864 5.059 50 1 FKGF S=C=NC=CCCCCCCCCCCCCCCCN=C=S 2356442978 WVISEIUHTITASY-UHFFFAOYSA-N 352.613 7.167 50 1 FKGF COc1ccc(C[S@@](=O)C/C=C/SSCc2ccccc2)cc1 73197634 LGSDLQZKSBEESJ-NCMXAVOXSA-N 364.557 5.039 50 1 FKGF CC(C)(Cl)[C@@H](Br)CC/C(=C\CCl)CBr 73280609 QSLFLZNDSQCQSX-QRJSTWQJSA-N 366.952 5.108 50 1 FKGF CCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497580 JGOCEKRNCZNFQE-WNSKOXEYSA-N 368.904 5.616 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356647482 ONPDZDNKLXUXLN-MFPFFRNPSA-N 354.531 5.765 50 1 FKGF CCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C=C(C#N)C#N)c2c1 34603211 IVOQYVYCLRIOEO-UHFFFAOYSA-N 355.441 5.617 50 1 FKGF C=C(Cl)[C@@](Cl)(CBr)CCC(Br)=C(C)C 85855452 QOZBNRJYHFRDPQ-JTQLQIEISA-N 364.936 5.580 50 1 FKGF biogenic Cc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Cl 586973487 KKGWSZOOMGGRNN-NSHDSACASA-N 363.686 5.571 50 1 FKGF CCCCCCC=CCCCCCCCCCCCC=CC(=O)C=CC=O 2356620934 JNDAQUKZWISLHA-UHFFFAOYSA-N 374.609 7.685 50 1 FKGF Nc1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2 1646065 LNIQQOSWYCHZHX-UHFFFAOYSA-N 358.816 5.308 50 1 FKGF CC[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329200 XMSABSXSXKCLFS-QUCCMNQESA-N 362.828 5.058 50 1 FKGF Fc1ccc2c(CCl)c(-c3ccc(Br)cc3F)[nH]c2c1 587634473 GKOCTUPIGSSOOU-UHFFFAOYSA-N 356.597 5.614 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CCl)[C@@H](Br)C[C@@H]1Br 2356468564 IBWBTIUOMWLVDJ-XKNYDFJKSA-N 364.936 5.064 50 1 FKGF CCC[C@]1(c2ccccc2)OC(c2ccccc2)=C(C#N)[C@H]1c1ccccc1 103295318 RFEDQALUDQNLHO-AOYPEHQESA-N 365.476 6.431 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(OCC)cc1 963236284 XYEMTZWGWDNZTJ-HTAPYJJXSA-N 357.925 5.224 50 1 FKGF O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1 95597819 TYGGRMZGJNJNDQ-UHFFFAOYSA-N 368.527 5.867 50 1 FKGF S=C=N/C=C\CCCCCCCCCCCCC/C=C\N=C=S 137923385 KDMVQZNXQUNVPK-RYOQUFEFSA-N 350.597 7.291 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(Cl)c1Cl 587918868 ATRAHUSWHNVQHJ-UHFFFAOYSA-N 368.672 5.790 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587187088 BVIVTYBJKPGGII-MOSHPQCFSA-N 363.420 5.167 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Cl)s1)CC2=O 587493927 JGMQQYAXOJKOSY-QGZVFWFLSA-N 371.285 5.159 50 1 FKGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(=CCl)[C@H](Cl)Br 2356786241 ZMUWHDFETXWZJR-GUBZILKMSA-N 352.914 5.416 50 1 FKGF C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]12C 140421078 OOTTXHPHVJPZLE-NIMBFUQJSA-N 369.387 5.876 50 1 FKGF C[C@H](CCCCCCc1ccccc1)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 85666471 DIUXCDVMQICTSE-BVYCBKJFSA-N 362.510 5.550 50 1 FKGF biogenic CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCl)(c2ccc(C)cc2)N1 962949059 PARSGYCSCDCETH-VGOFRKELSA-N 352.909 5.273 50 1 FKGF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@@H](OO)C[C@@H]21 2356607826 SQSOIDXJDSZGJH-MACOENJXSA-N 352.515 5.233 50 1 FKGF CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3)=CC=C2C=O)cc1 40973443 ALAKFUJGJWSMIJ-RUZDIDTESA-N 353.465 5.602 50 1 FKGF CCCOc1ccc(-c2cc(OCCCl)c3ccc(OC)cc3n2)cc1 1857758348 WJTFFHGZZKSURY-UHFFFAOYSA-N 371.864 5.317 50 1 FKGF CC(C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr)=CBr 2356748105 UWZOIUBBJJHQJC-ZJUUUORDSA-N 362.920 5.355 50 1 FKGF CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)c3ccccc3C2=N1 988585 KARUSPCPRQFURZ-INIZCTEOSA-N 364.857 5.307 50 1 FKGF aggregator C[C@]1(CCl)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587325997 JBMUENFWPQXLHS-TYPHKJRUSA-N 374.839 5.058 50 1 FKGF COc1ccc([C@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500303 ZZSQMDFHTQIJAK-QFIPXVFZSA-N 370.876 5.064 50 1 FKGF CCCCCCCCCCCCCCC[C@]1(C)C[C@](C)(CC(=O)O)OO1 44431046 CELFHYKIFSVOLG-YADHBBJMSA-N 370.574 6.812 50 1 FKGF Cc1ccc2c3c(cc(-c4cccc(CCl)c4)nc13)-c1ccccc1C2=O 586992389 AUPYPMJPDLXFMK-UHFFFAOYSA-N 369.851 6.160 50 1 FKGF CC(C)(F)[C@H](Br)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587087828 VUXRQALIZCDWKP-OAHLLOKOSA-N 363.230 5.539 50 1 FKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646556 UUMNNNZSJKMLRJ-UHFFFAOYSA-N 363.320 5.335 50 1 FKGF O=C1c2ccccc2-c2cc([C@@H](Cl)c3ccccc3)nc3cccc1c23 587101610 INSYXEOLZYWTSC-QFIPXVFZSA-N 355.824 5.774 50 1 FKGF COc1ccc(C[S@@](=O)CC=CSSCc2ccccc2)cc1 1857623581 LGSDLQZKSBEESJ-QHCPKHFHSA-N 364.557 5.039 50 1 FKGF CCC=CCC=CC[C@@H](C=CC=CCC=CCCCCCC(=O)O)OO 2356340753 XHMXFEYXNLBDKE-NRFANRHFSA-N 362.510 6.241 50 1 FKGF CC(=NNC(N)=O)C1=CC[C@]2(C)[C@H](CC[C@@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 2356535750 IYDBAKSZTCQSKT-FOWVLEKCSA-N 369.553 5.310 50 1 FKGF C=C1CC[C@]2(C)[C@@H]3CC[C@](C)([C@H](O)CCl)O[C@@]3(C)CC[C@H]2C1(C)C 2356469274 GPNFAFGDZIONCK-LZQVICCCSA-N 354.962 5.323 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 13823512 GSOJBPSBUAABDR-NBBHSKLNSA-N 351.328 5.282 50 1 FKGF C=C(c1ccc(C)cc1)[C@H]1OOC2(CCCCC2)O[C@@H]1c1ccc(C)cc1 95583141 IZBLOAQABROFBS-DHIUTWEWSA-N 364.485 6.065 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 586973512 KXRHXZNBNNIWOO-JTQLQIEISA-N 374.669 5.135 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356874492 YWMRTMZJBMOTAU-CUXKYVRBSA-N 368.558 5.998 50 1 FKGF CCCCCCCCCCS[C@@H]1N=CN(C(C)(C)C)C(=O)[C@H]1Cl 49881597 NRAHSMGEZORHOK-HOTGVXAUSA-N 360.995 5.463 50 1 FKGF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586914567 WMJTXIADAJXRQR-MFKMUULPSA-N 356.360 5.893 50 1 FKGF O=C1C[C@H](c2cccc(CBr)c2)Oc2c1ccc1c2CCCC1 587497347 CBNHXQIHSSETPA-LJQANCHMSA-N 371.274 5.167 50 1 FKGF COc1ccc(C[S@](=O)C/C=C\SSCc2ccccc2)cc1 84564586 LGSDLQZKSBEESJ-PAGIRXCJSA-N 364.557 5.039 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 257511651 PGURXSLSPSOJSS-VKRLORBYSA-N 354.531 5.909 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(C)c1)([C@H](C)Cl)CC2=O 587458114 GLQMPLIRRHJKKZ-OYHNWAKOSA-N 372.892 5.450 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C=C/[C@H](C/C=C\CCCC(=O)O)OO)OO 85427565 CXDIKCDVBUPCCG-FUUJRSMXSA-N 368.470 5.153 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cnc3ccccc3c2[nH]1 586973795 OQILIPGFECWDNI-LBPRGKRZSA-N 366.262 5.158 50 1 FKGF Cc1cc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587496441 CXZAFHANBKIPBR-QHCPKHFHSA-N 368.904 5.590 50 1 FKGF O=C(/C=C/c1ccc(OCCCCCBr)cc1)c1ccccc1 40918330 FHGFQPAQGAWOMO-SDNWHVSQSA-N 373.290 5.527 50 1 FKGF C/C(=N\NC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(C)cc1 103283271 QMJABBQNKUNFBR-JJIBRWJFSA-N 359.429 5.333 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996300 CRQRHTHHFGOFLA-HTAPYJJXSA-N 358.416 5.551 50 1 FKGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3cccc4ccccc34)n2)cc1 169348999 NAYISIGELLFFRR-OAQYLSRUSA-N 370.843 5.573 50 1 FKGF C1=CSSC=CSSC=CSSC=CSS1 5830469 ZOQNXVFZKNWMJV-UHFFFAOYSA-N 360.688 7.410 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@]43C)[C@@H]1C[C@H](Br)C2=O 253633511 GSOJBPSBUAABDR-MCIQLKMHSA-N 351.328 5.282 50 1 FKGF CC(C=C[C@H](Cl)[C@](C)(Cl)C=CBr)=CBr 2356748104 UWZOIUBBJJHQJC-VHSXEESVSA-N 362.920 5.355 50 1 FKGF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4C(C=O)=CC[C@H]3[C@H]12 34081017 FUDYGCNPEYKGHX-NQTVBVAHSA-N 370.577 5.564 50 1 FKGF Fc1ccc2[nH]c(CCl)c(-c3ccccc3Br)c2c1Cl 587629036 YQUKBKDQUVFYHD-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 104691058 NBTPAFQOTIYHIR-JPYJTQIMSA-N 370.452 5.421 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)c(C)c(C)c(C)c1C)O2 587373975 VAFGELBUQBOOPS-JOCHJYFZSA-N 371.908 5.219 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)C#N 2356333593 UAMLJAIZEUCBHU-HOCIQAIMSA-N 356.579 6.052 50 1 FKGF O=c1cc(-c2ccccc2)oc2cc(OCCCCBr)ccc12 66098168 UBDSWVPDDXXAJR-UHFFFAOYSA-N 373.246 5.014 50 1 FKGF C/C(=N\NC(=O)c1ccccc1C)c1ccc2c(c1)Nc1ccccc1S2 2382226918 FWXZKKSWSMTHKS-BUVRLJJBSA-N 373.481 5.357 50 1 FKGF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4C(C=O)=CC[C@H]3[C@H]12 101197347 XAYQASOMEVLRKN-QFYAOFDFSA-N 368.561 5.772 50 1 FKGF in-vivo COC(=O)C=C(C)CC[C@@]1(C)[C@@H]2C[C@@H](OO)C=C(C)[C@@]2(C)CC[C@H]1C 2356623202 SQMPESDKZQIIDS-LFERKSGWSA-N 350.499 5.153 50 1 FKGF CC1(C)[C@H](Cl)[C@@H](O)C[C@@]2(C)C=C(C=CN=C(Cl)Cl)CC[C@H]12 2356505907 UGFPVWDJDIORFX-VPWBDBDCSA-N 350.717 5.075 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(C)c1)([C@@H](C)Cl)CC2=O 587458116 GLQMPLIRRHJKKZ-QRQCRPRQSA-N 372.892 5.450 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](C)Cl)CC2=O 587460169 RXLDTQZJUROGGS-LHSJRXKWSA-N 358.865 5.141 50 1 FKGF CC(C)Cc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626420 SNWHDKUWLSGZCY-UHFFFAOYSA-N 357.725 6.143 50 1 FKGF CC/C=C\C/C=C/C=C/CCCCCC[C@@]1(C)C[C@](C)(CC(=O)O)OO1 44405515 AKYCDMCRAMMZSV-KOIFJHAGSA-N 364.526 6.140 50 1 FKGF N#Cc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587142964 IFLYXDZTBZLHKN-UHFFFAOYSA-N 363.286 5.898 50 1 FKGF O=C(Cl)/C=C\c1ccc(/C=C\C(=O)c2coc3ccc(Cl)cc23)cc1 587276721 SGCWRADUVRBQHA-UQZKWGPRSA-N 371.219 5.761 50 1 FKGF CC1(C)[C@H]2CC=C(C=CN=C(Cl)Cl)C[C@]2(C)C[C@H](O)[C@@H]1Cl 2356608257 JOJUODIBULSKBG-RSUWNVLCSA-N 350.717 5.075 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(C(C)(C)C)cc1)O2 587373830 TWPGFFCYNNZLKD-JOCHJYFZSA-N 371.908 5.364 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](C)[C@@H](CC(=O)OC)OO1 2356825468 HSLUDOOKUCRWPK-VDRZXAFZSA-N 354.531 5.464 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169369798 PGURXSLSPSOJSS-NEOGFGCTSA-N 354.531 5.909 50 1 FKGF O=C1CC(CCCCl)(CCCCl)Oc2c1ccc1c2CCCC1 587496223 CEBKMKBWGZHQLH-UHFFFAOYSA-N 355.305 5.307 50 1 FKGF Fc1ccc2c(CCCl)c(-c3ccc(Br)cc3)[nH]c2c1 587632784 PWUHADHGZKYOOR-UHFFFAOYSA-N 352.634 5.518 50 1 FKGF CCCCC[C@H](C=CC=CC=C[C@@H](CC=CCCCC(=O)O)OO)OO 2356342700 CXDIKCDVBUPCCG-MOPGFXCFSA-N 368.470 5.153 50 1 FKGF CC(C)=CCCC(C)=C[C@@H]1CC[C@@]2(C)[C@H]1[C@](C)(O)CC[C@H]2Br 2356662047 ZXWHFWJXLBFYEO-PXTPFGJHSA-N 369.387 6.020 50 1 FKGF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CCl)c3)nc3cccc1c23 587104615 VCRHBRZLXNBRJL-UHFFFAOYSA-N 371.823 5.558 50 1 FKGF CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)OO 116010562 OAGAUECBCOAGOL-OUKOMXQNSA-N 360.494 6.017 50 1 FKGF in-vitro COc1ccc(Cl)cc1C#Cc1cccc(-c2cnc(CCl)o2)c1 587905470 WGMZLURIFLVUQF-UHFFFAOYSA-N 358.224 5.142 50 1 FKGF [C-]#[N+][C@H]1[C@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@@H]2CC[C@@]1(C)C=C 169454435 DBOXZAYTFKDLHJ-KPQBMEGNSA-N 372.556 6.896 50 1 FKGF Cc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625502 JTBFRDDYNYMYNK-UHFFFAOYSA-N 360.095 5.409 50 1 FKGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(=CCl)[C@H](Cl)Br 2356786242 ZMUWHDFETXWZJR-UTLUCORTSA-N 352.914 5.416 50 1 FKGF CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=CC=C2C=O)cc1 40973441 ALAKFUJGJWSMIJ-VWLOTQADSA-N 353.465 5.602 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1Cl 587898282 IDITXKKVJBOCNI-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF Oc1cc(-c2ccccc2)c(OCCCCCl)c(O)c1-c1ccccc1 40875764 SUKIXPXTHOMTDP-UHFFFAOYSA-N 368.860 5.830 50 1 FKGF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](Cl)CCCCC[C@@H]2Cl 587500557 QAKNDVIQFRDKFW-ROUUACIJSA-N 367.316 5.448 50 1 FKGF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CBr)cc1 587631205 XOGVZMKLZBLJBD-UHFFFAOYSA-N 356.597 5.661 50 1 FKGF COc1ccc2c(c1)SC1=NC(c3ccc(Cl)cc3)=C/C(=C\C#N)N12 101595411 SBBQXHNOTBZQRK-RIYZIHGNSA-N 365.845 5.079 50 1 FKGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2ccccc2)n1 195181098 QBUXQRCJNXKXDC-MSOLQXFVSA-N 361.558 5.619 50 1 FKGF Fc1cc2c(-c3ccccc3Br)c(CCl)[nH]c2cc1Cl 587628348 LKKUUZCTCUKYNV-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCl)(c2cccc(F)c2)N1 962946667 IGTDZTRNQBJSGK-HTAPYJJXSA-N 370.899 5.494 50 1 FKGF Fc1cccc2c1[C@](C1CC1)([C@@H](Cl)c1ccccc1)N1CCC[C@H]1C2 963113223 SKURDFVPECKYFK-YUXAGFNASA-N 355.884 5.432 50 1 FKGF O=C(O)C1=Cc2ccc(S(F)(F)(F)(F)F)cc2O[C@H]1C(F)(F)F 1772643118 ANVUBOGVSXRMJT-SECBINFHSA-N 370.217 5.135 50 1 FKGF C=C(c1ccc2c(ccc3ccccc32)c1)[C@@H]1COC2(CCCCC2)OO1 43511446 MPXPBZXVAWXQSX-QHCPKHFHSA-N 360.453 6.014 50 1 FKGF CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1 195104524 JYSHFFMBSJLFID-UHFFFAOYSA-N 368.505 5.550 50 1 FKGF C=C1C(CC(C)C)=C(C#N)C(=O)N1c1cc(Cl)c(Cl)cc1Cl 64491812 NKKVUHPTHCADSY-UHFFFAOYSA-N 355.652 5.373 50 1 FKGF CCCc1c(O)ccc2c1OC(CCCCl)(CCCCl)CC2=O 587459976 JSULGVIZWHVRBY-UHFFFAOYSA-N 359.293 5.087 50 1 FKGF CC(C)c1ccc(Oc2c(CCl)[nH]c3cc(Cl)c(F)cc23)cc1 587628625 OWSHGQIMEJEOPL-UHFFFAOYSA-N 352.236 6.615 50 1 FKGF CC/C=C/[C@@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44404459 LXNOXMXZWPALFI-BGBVVCNKSA-N 352.515 5.685 50 1 FKGF N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 84742412 UCXRHNDQYWRTBQ-XDHOZWIPSA-N 350.248 6.725 50 1 FKGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 104691071 NBTPAFQOTIYHIR-FDDCHVKYSA-N 370.452 5.421 50 1 FKGF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C[C@H]4[C@H](C(=O)C[C@H]4C)C(C=O)=CC[C@@H]3[C@@H]12 105571066 XAYQASOMEVLRKN-YQCHJYMASA-N 368.561 5.772 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C\[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 238789487 HGRUNRAUYWALHI-BLTHGVIQSA-N 366.542 6.076 50 1 FKGF O=C1C[C@](CCCCl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503016 KHFZVZVDLUJWSP-JOCHJYFZSA-N 372.867 5.584 50 1 FKGF Cc1ccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963121482 LNWJPGMKKFZYMF-SFHVURJKSA-N 354.708 5.238 50 1 FKGF CCOc1ccc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963103381 LCSSAEJQBVRGBS-WQFQCULDSA-N 373.899 5.116 50 1 FKGF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CC=CC(C)(C)OO 2356549004 NNZMYFZCHMIZMN-UHFFFAOYSA-N 370.401 5.079 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)OO)OO 169622083 CXDIKCDVBUPCCG-HCCKYKKOSA-N 368.470 5.153 50 1 FKGF CCCCC[C@@H](Cl)[C@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCC(=O)O 231930280 QHTKGYPZKJWJFA-YVECIDJPSA-N 366.156 5.641 50 1 FKGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2)cc1 49112125 CLZBLINATCVCOS-UDWIEESQSA-N 374.447 5.362 50 1 FKGF S=C=N/C=C\CCCCCCCCCCCCCC/C=C\N=C=S 137922791 GBHPXEBSRFXGTN-IQRFGFHNSA-N 364.624 7.681 50 1 FKGF C#CCOc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587564467 SXZGOZHMHGZQFZ-UHFFFAOYSA-N 374.334 5.899 50 1 FKGF C=C1[C@@H](OO)CC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)OC)[C@H](C)CC[C@@]12C 85872897 JPVCMCZIKWBOTI-IUNQSZEASA-N 350.499 5.153 50 1 FKGF C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC1=CC(=O)OC1 211529383 DMTPJDMHJKAIQQ-OXFYSEKESA-N 352.591 5.467 50 1 FKGF C=CCc1cccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586974251 UCIAVCKMGFSULW-ZDUSSCGKSA-N 355.279 5.338 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587188384 QYTGOXWCMTYPDC-WUXMJOGZSA-N 372.653 5.351 50 1 FKGF Cc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499267 SBVMMBUNFRRLMU-HJPURHCSSA-N 368.904 5.670 50 1 FKGF CCc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103995219 ZXYRLMCXDOZQOO-YKSBVNFPSA-N 368.480 5.974 50 1 FKGF FS(F)(F)(F)(F)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587213929 SXOYKZLDGFYFBD-UHFFFAOYSA-N 357.347 6.658 50 1 FKGF COC(=O)C=C(C)CC[C@@]1(C)[C@@H]2C[C@H](OO)C=C(C)[C@@]2(C)CC[C@H]1C 2356623203 SQMPESDKZQIIDS-OJVCSNARSA-N 350.499 5.153 50 1 FKGF C[C@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)CCl 85857030 NFUKOEFOLMOMIV-ULZRVHDFSA-N 354.930 5.292 50 1 FKGF CCCCCC/C=C/C#C[C@@H](CCCCCC(=O)OC)O[Si](C)(C)C 238730938 MQTXVZHDNPCALD-SGWGQVFISA-N 366.618 5.860 50 1 FKGF C[C@@]1(CCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327343 PJJCVEGKYPVXHS-ICSRJNTNSA-N 362.828 5.058 50 1 FKGF CCCCCCCCCCS[C@H]1N=CN(C(C)(C)C)C(=O)[C@H]1Cl 49881596 NRAHSMGEZORHOK-JKSUJKDBSA-N 360.995 5.463 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)CC(C=O)=CC[C@@H]21 59779485 YJHVGMSCPWBUDS-IOIXJJKASA-N 358.566 5.542 50 1 FKGF CCC=CCC=CC=CCCCCCC[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356531808 AKYCDMCRAMMZSV-VXKWHMMOSA-N 364.526 6.140 50 1 FKGF Oc1ccc2c(c1)[C@@H](c1ccccc1S(F)(F)(F)(F)F)NCC2 963341158 LZSWALODZIEANO-OAHLLOKOSA-N 351.340 5.285 50 1 FKGF CCCCCCCCCCS[C@@H]1N=CN(C(C)(C)C)C(=O)[C@@H]1Cl 49881599 NRAHSMGEZORHOK-CVEARBPZSA-N 360.995 5.463 50 1 FKGF CCCC/C=C\CCCCCCCCCCCCC/C=C/C(=O)/C=C/C=O 238759549 WLGVLZBLVVFMKH-GXBCJQGDSA-N 374.609 7.685 50 1 FKGF Fc1ccccc1[C@@]1(CCCCl)NCCc2c(Cl)cc(Cl)cc21 963105489 JXMNKPMPMPRCMY-GOSISDBHSA-N 372.698 5.541 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1C=CCC=CCC=CCCCC(=O)O 2356564724 ZPCHFWGBCMRNFG-PKRADWSKSA-N 352.902 5.111 50 1 FKGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587087930 YYNWMEFXMFQXDV-VIFPVBQESA-N 373.575 5.419 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587187484 HMWUIYMJPJOXSY-AQTBWJFISA-N 351.409 5.728 50 1 FKGF N#C/C(=C\c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc12 141460468 XKSALERPZXDXPJ-YBFXNURJSA-N 351.409 5.206 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586973591 LUIIGQDAKOBFIS-CYBMUJFWSA-N 371.322 5.907 50 1 FKGF Cc1c(Cl)ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586974117 QVKGNZFJUYPWMI-SNVBAGLBSA-N 363.686 5.571 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)cc(C)cc1C)CC2=O 587461035 VXRJSKUZGKTRNR-JOCHJYFZSA-N 372.892 5.369 50 1 FKGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2ccc([C@H](C)CC)cc12 587639547 ZKTZSQSHWFBPJQ-GHMZBOCLSA-N 352.272 5.314 50 1 FKGF CC(C)(C(=O)SSC(=O)C(C)(C)c1ccccc1)c1ccccc1 1911582290 VEKYGGJQEJSRCG-UHFFFAOYSA-N 358.528 5.377 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356566982 BUJRRZDBOYIMBT-GPQLQYNLSA-N 366.542 5.774 50 1 FKGF CC1=C[P@](=O)(c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@H]1Cl 1658026 YKROHLMVDKALAU-YKSBVNFPSA-N 366.913 6.960 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44388274 PGURXSLSPSOJSS-MEZWHVQBSA-N 354.531 5.909 50 1 FKGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1ccc(Cl)s1)O2 587411689 UKUZIDPJMBSVTJ-QGZVFWFLSA-N 370.301 5.172 50 1 FKGF O=C1C[C@@](CCl)(C2CCC(F)(F)CC2)Oc2c1ccc1c2CCCC1 587505698 MKJGXGNTBJSLJC-LJQANCHMSA-N 368.851 5.334 50 1 FKGF CCC=C[C@H](CC)CCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356405177 JOIXERUBSWWODE-VNYTWHDVSA-N 354.531 5.608 50 1 FKGF C=C(C)[C@H](Br)C[C@@H](Br)C(C)=CC(Cl)Cl 2356731907 KQHIOMQBBGDCNC-RKDXNWHRSA-N 364.936 5.230 50 1 FKGF CN1[C@H](C[C@H](Cl)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 13800798 JMFHWTBSODZAPJ-HBMCJLEFSA-N 355.909 5.483 50 1 FKGF CCCC[C@H](CC)C/C(C)=C/[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 42875799 YWMRTMZJBMOTAU-XHFNGKMLSA-N 368.558 5.998 50 1 FKGF N#Cc1ccc2c(C(=O)CCCCCCCCCCC(=O)Cl)coc2c1 587278400 GMOLAKQESLSRQW-UHFFFAOYSA-N 373.880 6.154 50 1 FKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587331431 QISHHJZPRFHQTL-ZVDOUQERSA-N 374.839 5.201 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905682 YOBQIGBPUJHHNY-UHFFFAOYSA-N 350.312 5.969 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587187056 BFTZOUZZBVKSTP-VBKFSLOCSA-N 361.408 5.032 50 1 FKGF Cc1cc(/C=C/C#N)cc(F)c1Nc1cccc(Nc2ccc(C#N)cc2)n1 653724628 RQUVLUHNLXFGML-ONEGZZNKSA-N 369.403 5.425 50 1 FKGF CC1=C(C(C)C)CC[C@]12CC[C@@]1(C)[C@H](C2)[C@](C)(O)CC[C@H]1Br 2356798498 PJDWKETYOALUFF-PXTPFGJHSA-N 369.387 5.854 50 1 FKGF O=P(Nc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccccc1 68600117 JIEXXYKZIRSDHK-UHFFFAOYSA-N 362.196 5.334 50 1 FKGF biogenic Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587188118 NXDIJMLCFCHZRS-WUXMJOGZSA-N 361.754 5.608 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)sc1C)CC2=O 587489673 CWRHQNHTSMIQLC-LJQANCHMSA-N 364.894 5.123 50 1 FKGF O=[N+]([O-])c1ccc2c(CCl)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 587645074 ULUCNBCKIQEIFU-UHFFFAOYSA-N 355.608 5.789 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)O2 587372937 OCNJMWBBYAJIAD-PEBXRYMYSA-N 371.908 5.363 50 1 FKGF C=C(CCC=C(C)CC[C@H]1OC1(C)C)[C@H](Cl)CN=C(Cl)Cl 2356466774 SGSUCMPCVPXNFI-ZIAGYGMSSA-N 352.733 5.668 50 1 FKGF COc1cccc(-c2c(CCCCl)cnc3c2oc2ccccc23)c1 587357748 LHVJVQOFGGLVRF-UHFFFAOYSA-N 351.833 5.828 50 1 FKGF O=C1C[C@](CCCCl)(c2cccs2)Oc2c1ccc1c2CCCC1 587533589 XXXISAFUJLWSPF-HXUWFJFHSA-N 360.906 5.507 50 1 FKGF CC(C)Oc1ccc(/C(=C(/C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650274 XJVMJSDIQMKXBV-VHXPQNKSSA-N 355.437 5.662 50 1 FKGF CCCCCCCC(=O)/C=C/CCCCCCCC(=O)NCCCl 66098704 QLHBCTPWOUIYPK-NTCAYCPXSA-N 357.966 5.558 50 1 FKGF CNCC[C@@H](Oc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1 43574886 ZXWKLBTWUHVMTO-MRXNPFEDSA-N 367.383 6.074 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CC(C#N)=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1857639010 XMYHDPOWFDNIDA-SQRYLOHGSA-N 374.528 5.292 50 1 FKGF N#C/C(=C(/O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 100703767 ALSJIZILDUWTLE-UZYVYHOESA-N 353.381 5.305 50 1 FKGF Cc1c([C@H](C)Br)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994277 XAQXUIHAAGRDOE-LBPRGKRZSA-N 366.258 5.519 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 205149978 MRRHNAZUVJWYGY-OVGYYZRQSA-N 368.558 6.155 50 1 FKGF CCCC[C@@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44388272 PGURXSLSPSOJSS-ZDWTUXFCSA-N 354.531 5.909 50 1 FKGF COc1cc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1 195292307 PDINJZXKDVUBFQ-CMDGGOBGSA-N 370.565 6.258 50 1 FKGF C[C@H](Cl)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500336 BDIWLMIJGGFBEH-ZSEKCTLFSA-N 358.840 5.193 50 1 FKGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628708 TVTNKGIOMSYLSK-UHFFFAOYSA-N 371.626 5.458 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(C)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356336691 PVDHZAKYWJYCOD-VDRZXAFZSA-N 356.547 5.688 50 1 FKGF CCCCC[C@@H](/C=C/C=C/C/C=C\C=C\[C@H](CCCC(=O)O)OO)OO 231931409 PCIOUQYHTPPZEM-OIZLPRBOSA-N 368.470 5.153 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587188116 NXDIJMLCFCHZRS-SDQBBNPISA-N 361.754 5.608 50 1 FKGF O=C(O)c1cccc2c(-c3ccccc3Br)c(CCl)[nH]c12 587637148 WGXYBUUEXLEOQP-UHFFFAOYSA-N 364.626 5.034 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)O2 587372933 OCNJMWBBYAJIAD-FPTDNZKUSA-N 371.908 5.363 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCl)cc1 587628936 VRNHYQDDZVYBDF-UHFFFAOYSA-N 350.264 6.664 50 1 FKGF CC1(C)[C@H]2CCC(C=CN=C(Cl)Cl)=C[C@]2(C)C[C@@H](O)[C@@H]1Cl 2356505905 UGFPVWDJDIORFX-NFFDBFGFSA-N 350.717 5.075 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356647484 ONPDZDNKLXUXLN-WXRGLTTHSA-N 354.531 5.765 50 1 FKGF N#C/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 40810758 HNQPZVYEEPFEOT-OWOJBTEDSA-N 355.481 6.064 50 1 FKGF CC/C=C\[C@H](CC)C/C(=C\[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 238789486 HGRUNRAUYWALHI-AWTWDADBSA-N 366.542 6.076 50 1 FKGF CC1(c2ccccc2)CC(C(=NNC(=O)S)c2cc3ccccc3o2)C1 2356850659 PSDSYKSJWZARJJ-UHFFFAOYSA-N 364.470 5.144 50 1 FKGF Cc1ccc(F)c(N/C(O)=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1 38151017 RHKSIJRPOSOFSP-SILNSSARSA-N 352.409 5.020 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@@](/C=C/C(=O)O)(CC)OO1)CC 138227693 RZRGZFAFBCXRPE-OHGOUMFDSA-N 364.526 5.996 50 1 FKGF C[C@H](Br)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587008533 MGZKPLHZAMVEKQ-BYPYZUCNSA-N 361.083 5.056 50 1 FKGF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C=C(C#N)C#N)cc1 1857759028 ZREFHRXDJQRZDV-UHFFFAOYSA-N 374.831 5.022 50 1 FKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1 238750396 PAUIQDPAEDELMC-CKBMHYDUSA-N 366.545 6.190 50 1 FKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCCCBr 149193722 QAEVPDYXAJFCOY-VZRGJMDUSA-N 359.417 6.924 50 1 FKGF CCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532317 PLFCVIQQUOMCCR-HXUWFJFHSA-N 360.906 5.289 50 1 FKGF CC[C@@H](Br)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587898709 PAYSPXPIRYUZOW-QGZVFWFLSA-N 363.682 5.594 50 1 FKGF COc1ccc(Cl)cc1C#Cc1c(OC)ccc2cc(CCl)ccc12 587910952 AYCRGDYUMCDLDJ-UHFFFAOYSA-N 371.263 5.649 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 137634939 JVFCDVVUSGATTM-HVAMYJMISA-N 370.574 6.078 50 1 FKGF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@@H](OO)C[C@@H]21 2356623198 SQMPESDKZQIIDS-CXCDTWTDSA-N 350.499 5.153 50 1 FKGF N#Cc1ccc2c(C(=O)c3ccc(S(F)(F)(F)(F)F)cc3)coc2c1 587277835 FTLJQPSATOOXCM-UHFFFAOYSA-N 373.302 6.193 50 1 FKGF COc1cc(C)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587924973 HYJWRQYXHSQLSB-UHFFFAOYSA-N 364.339 6.204 50 1 FKGF CCOC(=O)c1c(CCl)nc2ccc(Cl)cc2c1-c1ccccc1 34291180 GJLCBUACDUOGPT-UHFFFAOYSA-N 360.240 5.471 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)ccc1C)CC2=O 587460287 SNSOCPTVBKVJKL-NRFANRHFSA-N 358.865 5.061 50 1 FKGF CC1(C)CCC(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587961648 GKFKCBUGPSIWAH-UHFFFAOYSA-N 368.415 6.979 50 1 FKGF CCC=CCC=CC[C@@H](C=CC=CC=CCCC=CCCC(=O)O)OO 2356340480 QEAQJVYOZNBPLR-NRFANRHFSA-N 360.494 6.017 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431365 QRDHVGGKSGYWJG-YHZOAHNBSA-N 368.558 5.854 50 1 FKGF CCC[C@@]1(c2ccccc2)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 103295321 RFEDQALUDQNLHO-AHWVRZQESA-N 365.476 6.431 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@]43C)[C@@H]1C[C@H](Br)C2=O 253633505 GSOJBPSBUAABDR-FCXOMPEDSA-N 351.328 5.282 50 1 FKGF CCCC[C@@H](Cl)CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1 653723915 MONOMZXDURAAAV-JNAXZKDPSA-N 370.917 5.696 50 1 FKGF CCCCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 85666223 IYJCYRWWXCDKEB-AZUAARDMSA-N 356.503 5.090 50 1 FKGF biogenic C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC1=CC(=O)OC1 211529313 DMTPJDMHJKAIQQ-WRWLIDTKSA-N 352.591 5.467 50 1 FKGF CC/C=C/[C@@H](CC)C/C(C)=C\[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 73371446 QTIPTWPLMFIHPM-GCTPHONRSA-N 352.515 5.685 50 1 FKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1 1554275 BGENJZQFMWOTKT-ONEGZZNKSA-N 367.412 5.038 50 1 FKGF CC(C)=CCCC(C)=C[C@@H]1CC[C@@]2(C)[C@H]1[C@@](C)(O)CC[C@H]2Br 2356662049 ZXWHFWJXLBFYEO-YHDCXSKOSA-N 369.387 6.020 50 1 FKGF CC1=CC[C@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2 2356793225 KITUCYHXYPLPSR-ZFWWWQNUSA-N 362.149 5.965 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](C)[C@H](CC(=O)OC)OO1 2356825465 HSLUDOOKUCRWPK-FIRLOTFOSA-N 354.531 5.464 50 1 FKGF C=C(c1ccccc1)[C@@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 49881899 CYNDGRLMHDPUCL-KOENEWCDSA-N 365.473 5.188 50 1 FKGF CC/C=C/[C@H](CC)C/C(C)=C/[C@@]1(CC)C[C@](/C=C/C(=O)O)(CC)OO1 85775749 LPSSNYLPAQXPPZ-XJFPLECQSA-N 350.499 5.606 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(NC(=O)CBr)c2c1 587638937 KFPNVEBLYSKAIV-LLVKDONJSA-N 365.315 5.312 50 1 FKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)cs2)N1 587844468 AQUJYNBWYFYBDU-GLEZIHRCSA-N 374.706 5.012 50 1 FKGF Cc1ccc([C@@]2(C)CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)o1 40979845 FMEJHRWXKSRJRG-VWLOTQADSA-N 354.449 6.125 50 1 FKGF Cc1ccc(C2OOC(c3ccc(/C=N/C4CCCCC4)cc3)OO2)cc1 72173446 AXIJNMUGIPSLIA-HZHRSRAPSA-N 367.445 5.354 50 1 FKGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2ccccc2)n1 195181111 QBUXQRCJNXKXDC-ROUUACIJSA-N 361.558 5.619 50 1 FKGF C/C(=C\CO[Si](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 195810238 CKZQZHKPLHXPCT-WMRXMYIESA-N 368.722 8.223 50 1 FKGF Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587498932 QVFQORGBVPPYDF-QFIPXVFZSA-N 354.877 5.282 50 1 FKGF CCCOc1ccc(Cl)c(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)c1 103286657 MZXRGSFEFPDJNY-RZIFZGNASA-N 372.336 5.297 50 1 FKGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2ccc([C@@H](C)CC)cc12 587639550 ZKTZSQSHWFBPJQ-WDEREUQCSA-N 352.272 5.314 50 1 FKGF CCC[C@@]1(c2ccccc2)OC(c2ccccc2)=C(C#N)[C@H]1c1ccccc1 103295313 RFEDQALUDQNLHO-RSXGOPAZSA-N 365.476 6.431 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccccc1)CC2=O 587461695 SFBBLGLILHYZLG-OAQYLSRUSA-N 358.865 5.224 50 1 FKGF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960782 BPQIXYNWUQKBST-BDAKNGLRSA-N 354.344 5.378 50 1 FKGF Fc1cccc2c1[C@](C1CC1)([C@@H](Cl)c1ccccc1)N1CCC[C@@H]1C2 963113216 SKURDFVPECKYFK-BVYCBKJFSA-N 355.884 5.432 50 1 FKGF CC/C=C\C/C=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)OO 219969077 OAGAUECBCOAGOL-MBRSJONVSA-N 360.494 6.017 50 1 FKGF in-vitro Cc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499595 WDICXPQRLVJFGW-NYHFZMIOSA-N 354.877 5.362 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C1CCC1)[C@H](C)Br 963244974 YYAIVEVKMQEJMT-VCBZYWHSSA-N 350.344 5.122 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O[Si](C)(C)C 2356531649 HNZDTAXZHUDITM-WVYKEMLSSA-N 360.614 5.738 50 1 FKGF CC(=C/C[C@H](Br)C(C)(C)Cl)/C(Cl)=C\Br 140476562 BUUZNDRSQGLKGO-YRFIIHSASA-N 364.936 5.579 50 1 FKGF C=C1CC[C@@]2(N=C=S)[C@H]3[C@H](CC[C@H]2C)[C@H](C)C[C@H](CC(C)(C)NC=O)[C@@H]13 2356792649 KAIKLVFUIDYGPS-KXXRVGCSSA-N 374.594 5.027 50 1 FKGF Cc1ccc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498348 NFGHKBSIANPMDV-QFIPXVFZSA-N 354.877 5.282 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356529737 QRDHVGGKSGYWJG-SXFAUFNYSA-N 368.558 5.854 50 1 FKGF CC(C)(C)n1cc2c(c1)SSc1cn(C(C)(C)C)cc1SS2 299864066 LTTWZLMVTDUGNK-UHFFFAOYSA-N 370.634 6.712 50 1 FKGF N#Cc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1N 587248634 CYWVUSFAAUSQII-UHFFFAOYSA-N 360.311 5.341 50 1 FKGF COC(=O)[C@H]1[C@@](C)(O)CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](Cl)CC[C@]12C 238766749 UIZABROIEVWUKR-ICLLYECISA-N 370.961 5.097 50 1 FKGF Cc1cc(Cl)cc2c(-c3cccc(Br)c3)c(CCl)[nH]c12 587623827 QVTSLVIHALNYAE-UHFFFAOYSA-N 369.089 6.298 50 1 FKGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587628621 OUELAJMJPUICEF-VIFPVBQESA-N 351.208 5.193 50 1 FKGF C/C(=N\NC(=O)c1cccc(/N=N/[C@@H](C)c2ccccc2)c1)c1ccccc1 169688135 LCLBEJWMNSCKSL-JUDIUXTHSA-N 370.456 5.686 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@]43C)[C@H]1C[C@H](Br)C2=O 253633509 GSOJBPSBUAABDR-LXRBNPELSA-N 351.328 5.282 50 1 FKGF C=C1CC[C@@]2(C)[C@H](CC[C@]3(C)O[C@@](C)([C@H](O)CCl)CC[C@H]32)C1(C)C 2356469276 GPNFAFGDZIONCK-VQGUNAKRSA-N 354.962 5.323 50 1 FKGF CC/C=C/[C@@H](CC)CCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42834632 JOIXERUBSWWODE-SOKQRTDFSA-N 354.531 5.608 50 1 FKGF C/C(=N\NC(=O)c1cccc(/N=N/[C@H](C)c2ccccc2)c1)c1ccccc1 169688136 LCLBEJWMNSCKSL-FQICYITBSA-N 370.456 5.686 50 1 FKGF Fc1cc2c(CCl)c(-c3ccc(Cl)c(Cl)c3)[nH]c2cc1Cl 587628637 PITCCKCQZGVLCV-UHFFFAOYSA-N 363.046 6.673 50 1 FKGF CC#Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587953505 MIDMHWIKHDNOBJ-UHFFFAOYSA-N 361.133 5.354 50 1 FKGF C1CCc2nc(SSc3nc4c(s3)CCCCC4)sc2CC1 1772586151 NXLFLCFGMLFSHH-UHFFFAOYSA-N 368.618 5.937 50 1 FKGF COc1ccc(C[S@@](=O)C/C=C\SSCc2ccccc2)cc1 84564585 LGSDLQZKSBEESJ-RANKWAFUSA-N 364.557 5.039 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cc(C)c(CCl)c1C)O2 587375352 LJKGJNKLCHVYGX-OAQYLSRUSA-N 357.881 5.122 50 1 FKGF Cc1sc2c(c1C)CCN[C@]2(CCCCl)c1ccc(F)c(Cl)c1 963011250 OTVFOOOLZPDBQD-GOSISDBHSA-N 372.336 5.566 50 1 FKGF CC(=O)OOCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356421296 FJOYMCJYEZOBCF-VQTJNVASSA-N 354.575 6.867 50 1 FKGF COC[C@H](/N=C\N1CCCc2ccccc2[C@@H]1CCCCl)C(C)(C)C 102987160 NFEDMTNADVWLPN-JFVMLZFZSA-N 364.961 5.084 50 1 FKGF C[C@]1(Cl)C[C@](C)(Br)[C@@H](C=CCl)C[C@H]1Br 2356587994 FMMSUHFXIOENCO-JXUBOQSCSA-N 364.936 5.064 50 1 FKGF C[C@@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)C1CCCCCC1 103286720 HCJGNGRJXQNXHL-XETPBLJFSA-N 354.321 5.575 50 1 FKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C)nc2n1 199133318 ZWPHIRBXHOJSHS-UHFFFAOYSA-N 365.331 5.142 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(CC13CC4CC(CC(C4)C1)C3)O2 587371928 IDBJEADMJKQDGK-RCRNZYILSA-N 373.924 5.127 50 1 FKGF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(C=O)=CC[C@@H]12 1857629134 BUCPXTDRLMUVPM-ZODIDHNDSA-N 366.545 6.002 50 1 FKGF CCOC(=O)C(C#N)=C1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356726855 YDVVOXNUMWFYCY-WSJXNRRVSA-N 369.549 5.802 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@H]1CC=C2CCCCC[C@@H]2C1 1622530 IZFJIOPRYIDKFO-OFNKIYASSA-N 350.442 5.670 50 1 FKGF CC(=C/Br)/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br 85951806 UWZOIUBBJJHQJC-AWLQFBOWSA-N 362.920 5.355 50 1 FKGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1ccccc1)CCC2 299828657 SILJDZWUVPOVEM-YDZHTSKRSA-N 352.865 5.005 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\CBr)[nH]c2c1 586974225 SWRFYOYDQYPGEU-UPHRSURJSA-N 363.149 5.628 50 1 FKGF CC(C)=CCCC(C)=CCCC(C)=CCCC(C=O)=CC=CC(C=O)=CN 2356807913 YHDLEUFOAPRFHA-UHFFFAOYSA-N 369.549 5.909 50 1 FKGF O=C1c2ccccc2-c2cc([C@@H](Cl)c3ccccc3)nc3ccc(O)c1c23 586985419 GXGBKQMORJOTNE-QFIPXVFZSA-N 371.823 5.480 50 1 FKGF C[C@H](O)c1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587022731 WGMVTDKSFKDBQB-LURJTMIESA-N 371.356 5.397 50 1 FKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587331423 QISHHJZPRFHQTL-DYXWJJEUSA-N 374.839 5.201 50 1 FKGF CCCCCCC=CCCCCCCCc1cccc(O[Si](C)(C)C)c1 2356690491 ZCHKEWYUXGNYKG-UHFFFAOYSA-N 374.685 8.310 50 1 FKGF CCc1cccc2c(OC)c(-c3occ(C)c3CBr)ccc12 66113469 QZQHBVGINKPNLD-UHFFFAOYSA-N 359.263 5.874 50 1 FKGF BrCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 586972438 RCEQYNKLNCJJSU-UHFFFAOYSA-N 353.263 5.587 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCCl)c1ccc(F)cc1 963260013 VPYXAXOOQRYKJB-FDDCHVKYSA-N 373.943 6.135 50 1 FKGF CC(=CC[C@H](Br)C(C)(C)Cl)C(Cl)=CBr 2356449897 BUUZNDRSQGLKGO-VIFPVBQESA-N 364.936 5.579 50 1 FKGF CC(C)=CCc1cc(/C=C(C#N)/C(C#N)=C/c2ccc(O)cc2)ccc1O 15200146 MEHGRNDEWRTQNA-VZLKJUJQSA-N 356.425 5.121 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587187966 MVYYTAZDJFEROY-CPNJWEJPSA-N 351.409 5.206 50 1 FKGF C[C@H]1C=CC=C(C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248266 APQFAJIOCXNYOD-FNVCAUGXSA-N 352.481 5.178 50 1 FKGF Cn1c(SSc2c(C#N)c3ccccc3n2C)c(C#N)c2ccccc21 13740088 XGICLWOZJLZMIG-UHFFFAOYSA-N 374.494 5.213 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587188756 WFHYNUMNAVZHLS-ZHZULCJRSA-N 365.436 5.515 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)[C@H](C)Cl)c2c1 587638955 KSGVGBSFLLOCPS-KGLIPLIRSA-N 354.881 5.914 50 1 FKGF CC/C=C/[C@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44404463 LXNOXMXZWPALFI-WAVHWADTSA-N 352.515 5.685 50 1 FKGF O=C1C[C@@](CCCCl)(c2cccs2)Oc2c1ccc1c2CCCC1 587533588 XXXISAFUJLWSPF-FQEVSTJZSA-N 360.906 5.507 50 1 FKGF Fc1ccc(C[C@@]2(CCl)NCCc3cccc(-c4ccccc4)c32)cc1 962661484 COWZGPSBJVFJRA-QHCPKHFHSA-N 365.879 5.315 50 1 FKGF COC(=O)C[C@@H]1OO[C@](C)(CC(C)=CC(C)=CCc2ccccc2)C[C@@H]1C 2356548918 JWRNNTZFDDYDJM-IEIRFRATSA-N 372.505 5.190 50 1 FKGF Cc1cc([C@@]2(CCCCCl)NCCc3ccc(F)c(C)c32)ccc1F 962301495 RXYLWWJWNURIAM-OAQYLSRUSA-N 363.879 5.380 50 1 FKGF O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 53313321 GGYHOSBGKHOGAC-SRZZPIQSSA-N 358.228 5.302 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@]43C)[C@H]1C[C@@H](Br)C2=O 253664704 LXSRYCCKGWATML-OZLURBBSSA-N 351.328 5.282 50 1 FKGF Cc1ccc(C(=O)N/N=C/C2=C(Cl)c3cc(C)c(C)cc3CCC2)cc1 299830315 WBSGZYCFLFINCY-ZMOGYAJESA-N 366.892 5.314 50 1 FKGF N#Cc1cc(O)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587191047 NCKKUTAJICZYES-UHFFFAOYSA-N 361.295 5.465 50 1 FKGF COc1ccc([C@@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500299 ZZSQMDFHTQIJAK-JOCHJYFZSA-N 370.876 5.064 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356424212 QTIPTWPLMFIHPM-YOUFYPILSA-N 352.515 5.685 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 103523797 RAGMUWDWTFLTAS-KRWDZBQOSA-N 361.272 5.961 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccccc1-c1nc(CCl)co1 587901629 LFJLPOWRLUWLGO-UHFFFAOYSA-N 358.224 5.142 50 1 FKGF C[C@](Cl)(C=C[C@H](Cl)[C@](C)(Cl)C=CCl)CBr 2356688706 JQUYRIQWDHGFCY-LPEHRKFASA-N 354.930 5.292 50 1 FKGF COc1c(C)cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1C 40776114 AGNTXKWYXKCOJR-SFQUDFHCSA-N 369.424 5.513 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](C)Cl)CC2=O 587460171 RXLDTQZJUROGGS-QKKBWIMNSA-N 358.865 5.141 50 1 FKGF O=C(Cl)c1ccc(-c2ccc(C(=O)c3coc4ccccc34)cc2)cc1 587280341 AVBRVRFVBQCSML-UHFFFAOYSA-N 360.796 5.710 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(C1CCC(F)(F)CC1)CC2=O 587464834 AUFZPHLBNXKKNE-GOSISDBHSA-N 372.839 5.113 50 1 FKGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c12 587644618 IFPWKDNRQOEMGD-UHFFFAOYSA-N 355.608 5.789 50 1 FKGF C[C@]1(Br)C[C@](C)(Cl)[C@H](Br)C[C@H]1C=CCl 2356587993 FMMSUHFXIOENCO-IMSYWVGJSA-N 364.936 5.064 50 1 FKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCCCC2)OO1 43617427 YQZLYRMDXWWMOF-QFIPXVFZSA-N 350.458 5.764 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587188459 RHGSKGGDRJBGQX-WDZFZDKYSA-N 363.726 5.179 50 1 FKGF CCC[C@]1(c2ccccc2)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 103295324 RFEDQALUDQNLHO-AZGAKELHSA-N 365.476 6.431 50 1 FKGF C=C(c1ccc(Oc2ccccc2)cc1)[C@H]1COC2(CCCCC2)OO1 64633782 YPORXJMZHYBDKY-OAQYLSRUSA-N 352.430 5.500 50 1 FKGF CSc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532438 MXMGVQSVCHHRCO-NRFANRHFSA-N 372.917 5.387 50 1 FKGF N#CC(=Cc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 2356390121 RBMYGYLBFPFLCL-UHFFFAOYSA-N 372.880 6.681 50 1 FKGF O=[N+]([O-])c1ccc2c(-c3cccc(Br)c3)c(CCl)[nH]c2c1 587644051 LVAIUWBOQRHGKC-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF N#C/C(=C\c1cc(-c2ccccc2)cnc1Cl)c1nc2ccccc2[nH]1 73224055 COBFBCVDBBURDL-MHWRWJLKSA-N 356.816 5.342 50 1 FKGF CCCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372504 LYOAYOCVYMTEOP-OAQYLSRUSA-N 357.881 5.019 50 1 FKGF CC(C)c1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498180 MFVYMBAFVFLKMG-QHCPKHFHSA-N 368.904 5.788 50 1 FKGF S=C(SSc1ccccn1)N1CCC(Cc2ccccc2)CC1 1857744735 NHZXTIAKUVQYSG-UHFFFAOYSA-N 360.573 5.062 50 1 FKGF CCC=CC[C@@H](C=CC=CCC=CCC=CCCCCCC(=O)O)OO 2356340466 PQYYUXHETXYOCV-NRFANRHFSA-N 362.510 6.241 50 1 FKGF CC(C)[C@@H]1CC[C@H](C)C[C@H]1OSSO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 84756928 ZTQOUQGOZHUYNV-WMDIELAYSA-N 374.656 7.153 50 1 FKGF Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587499512 UQMVWBBJFXDCTI-JOCHJYFZSA-N 354.877 5.282 50 1 FKGF BrCCCCCCN1c2ccccc2Sc2cccnc21 653723943 RMAZEKDIJWCJNB-UHFFFAOYSA-N 363.324 5.640 50 1 FKGF CSC(=N/c1cc(Cl)ccc1Cl)/C(C#N)=C(/O)c1ccco1 102444574 QRTMLZBAAXCPBF-AZWZYTMCSA-N 353.230 5.472 50 1 FKGF CCOCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)o1 586902706 GQNVZZIPKXMPQC-UHFFFAOYSA-N 368.327 6.017 50 1 FKGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587628163 JCBCOYREYHVISW-VIFPVBQESA-N 351.208 5.193 50 1 FKGF O=C(c1coc2ccc(Cl)cc12)[C@H](Br)Cc1ccccc1 587275876 GXWYFZKQMDTHHA-OAHLLOKOSA-N 363.638 5.275 50 1 FKGF CC1=C(/C=C\c2ccccc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1911585707 KKJWHNYUXIRQKH-ZDLLXQSBSA-N 368.473 5.220 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1CBr 587898974 VIMRORGHSHVLGR-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587961855 ZRBSIGOFWOCYNV-UHFFFAOYSA-N 354.388 6.733 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1 2356578278 LPSSNYLPAQXPPZ-JBACZVJFSA-N 350.499 5.606 50 1 FKGF Cc1cc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587500264 ZQQGZMXKBYPRKB-QHCPKHFHSA-N 368.904 5.590 50 1 FKGF COc1cccc(-c2c(CCCCl)c(C)nc3c2oc2ccccc23)c1 587359645 ZRGKOLXEDRWYDH-UHFFFAOYSA-N 365.860 6.136 50 1 FKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H](Cl)CCCCC[C@H]2Cl 587500550 QAKNDVIQFRDKFW-OPVJXMOQSA-N 367.316 5.448 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)Cl)sc2c1 587920981 ORUSODVOEKQIOS-UHFFFAOYSA-N 361.249 5.342 50 1 FKGF CCC=CCC=CC=CCCCCCC[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356531809 AKYCDMCRAMMZSV-YADHBBJMSA-N 364.526 6.140 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587024770 CISMCYCZWOPLBZ-DAFODLJHSA-N 352.353 6.452 50 1 FKGF Fc1nc(Cl)ccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587177571 NONXMQOFEBDVDB-UHFFFAOYSA-N 373.709 6.075 50 1 FKGF O=C(/C=C/c1ccc(F)cc1)SSC(=O)/C=C/c1ccc(F)cc1 473117994 JNXPVKMAHRGSFE-YDWXAUTNSA-N 362.422 5.126 50 1 FKGF CC(C)(F)[C@@H](Br)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587086525 CFWJQDANGVOZQW-VIFPVBQESA-N 371.197 5.359 50 1 FKGF C[Si](C)(C)OCCCCCCCCC(=O)CCCCCCC(=O)O 2356708989 KPGWUGNCFHRHBS-UHFFFAOYSA-N 358.595 5.563 50 1 FKGF C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 20157886 DZXGDLAKZTXDBZ-NMGFGJDYSA-N 368.908 5.281 50 1 FKGF N#C/C=C1\C=C(c2ccc3ccccc3c2)N=C2Sc3ccccc3N21 101595422 DQYAUCHYJQATRM-WOJGMQOQSA-N 351.434 5.570 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(CCl)[nH]c2c1 587625833 MZZMQKZLOXDYBO-UHFFFAOYSA-N 350.089 5.683 50 1 FKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646273 MNAZTBNMDIPJEP-UHFFFAOYSA-N 363.320 5.335 50 1 FKGF C=C(CC[C@@H]1C(=C)CC[C@@H](Cl)C1(C)C)[C@H](Cl)CN=C(Cl)Cl 85952622 FLQWJRAWXIZXCK-MGPQQGTHSA-N 371.179 6.364 50 1 FKGF biogenic O=C(c1ccc2c(c1)c1ccccc1n2CCCCl)N1CCCCC1 96938370 VINHTJVUODOJSC-UHFFFAOYSA-N 354.881 5.050 50 1 FKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1)CC 2356634246 CIIHSLMHCIOPNX-ZJDLJICXSA-N 368.558 6.300 50 1 FKGF Fc1ccccc1C[C@H](Br)c1cc2c3c(cccc3n1)CC2 587212920 MHNSJDQRCUPZJH-HNNXBMFYSA-N 356.238 5.151 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3ccc(OC(C)=O)cc3)c2c1 587639314 RFBHVHVJFDXEHH-CYBMUJFWSA-N 355.865 6.013 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356874491 YWMRTMZJBMOTAU-BPBCIEFSSA-N 368.558 5.998 50 1 FKGF C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C(=C)[C@@H]3C[C@H]12 1857764264 ZSNKFJXSSNTDIC-NAIAOIPJSA-N 362.586 5.241 50 1 FKGF CCCCC[C@H](Cl)[C@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCC(=O)O 231930284 QHTKGYPZKJWJFA-WUHRBBMRSA-N 366.156 5.641 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587188447 SXBUOTIDVJASNN-YBEGLDIGSA-N 361.408 5.032 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CCC4=C(SCCl)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 3914956 KEVDHIRSYSCSSY-PFIYWFKMSA-N 366.954 5.345 50 1 FKGF CCOc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496399 CQVIPJGLQOBWFC-JOCHJYFZSA-N 370.876 5.064 50 1 FKGF CC[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329202 XMSABSXSXKCLFS-UYAOXDASSA-N 362.828 5.058 50 1 FKGF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@]2(C)[C@H]2C=C(C=O)CCC2=C1C 2356306395 LZTOXTYBXBMRNN-ACESQOTJSA-N 356.506 5.172 50 1 FKGF Cc1c(Cl)ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586974116 QVKGNZFJUYPWMI-JTQLQIEISA-N 363.686 5.571 50 1 FKGF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1Cl 587628384 NIGZNCLDOJYIGJ-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF CC(C)=CCC/C(C)=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587968136 PESYEEMDUQWNJT-FMIVXFBMSA-N 366.399 7.370 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC(C=O)=C[C@@]3(C)[C@H](O)C[C@H]21 38987009 KSEAOAMBWFKBNK-CZRCWOFFSA-N 358.566 5.542 50 1 FKGF C[C@H](CCCCCC/C=C/c1ccccc1)C[C@@]1(C)C[C@@H](C)[C@@](C)(O)OO1 49775139 WLSHRUVGKAXXOJ-PNYMWFLSSA-N 374.565 6.522 50 1 FKGF Cc1c([C@H](C)Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625697 KKXXFFFUDOOXRB-LURJTMIESA-N 374.122 5.970 50 1 FKGF CCCCCCCCC=CCCCCCCCCCCCC(=O)Cl 2356470783 JNKSXSJNLXMTSV-UHFFFAOYSA-N 357.022 8.350 50 1 FKGF CC(C)=CCC/C(C=O)=C/CC/C(C)=C/Cc1cc(O)ccc1C(=O)O 14824674 MDFMOTWFZGDCJF-ASKQTUSVSA-N 356.462 5.231 50 1 FKGF CC1=C[P@@](=O)(c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@@H]1Cl 1658029 YKROHLMVDKALAU-GBXCKJPGSA-N 366.913 6.960 50 1 FKGF CCCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372502 LYOAYOCVYMTEOP-NRFANRHFSA-N 357.881 5.019 50 1 FKGF Cl[C@@H]1c2ccccc2[C@@]2(c3ccccc3)OO[C@@]1(c1ccccc1)O2 105477905 OOWNMAQQRZZARS-NJDAHSKKSA-N 350.801 5.013 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@H]1C[C@@H](Br)C2=O 253664695 LXSRYCCKGWATML-BBNZPBLFSA-N 351.328 5.282 50 1 FKGF O=C1c2ccccc2-c2cc([C@H](Cl)c3ccccc3)nc3cccc1c23 587101605 INSYXEOLZYWTSC-JOCHJYFZSA-N 355.824 5.774 50 1 FKGF Cc1cc(/C=C/C#N)ccc1Nc1ccc(F)c(Nc2ccc(C#N)cc2)n1 653737754 SOQHMIHFJHICJN-NSCUHMNNSA-N 369.403 5.425 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@](C=CC(=O)O)(CC)OO1)CC 2356583370 RZRGZFAFBCXRPE-VLCRHTCISA-N 364.526 5.996 50 1 FKGF C[C@@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587621462 VHIVXCDUFKWIPH-SECBINFHSA-N 374.669 5.774 50 1 FKGF Fc1cc2c(CCl)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628318 KBXFRAQJUCUKRI-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF COOC1(OOCCCCCC(=O)O)CCCCCCCCCCC1 38158821 KSBPHAOVEOZGDQ-UHFFFAOYSA-N 360.491 5.159 50 1 FKGF O=C1C[C@@](CCl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587497631 JMBUYHOUIZCUQM-HXUWFJFHSA-N 361.268 5.318 50 1 FKGF Fc1ccc2[nH]c(CBr)c(Cc3ccccc3)c2c1Cl 587627982 NOLVLFJWCWWPTE-UHFFFAOYSA-N 352.634 5.446 50 1 FKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@@H](Cl)C[C@H]1Cl 2356520097 ZSUWZTFWKFTZOO-KATARQTJSA-N 354.930 5.126 50 1 FKGF C[C@H](CCCCC[C@@H](O)CCCCCCCCSC#N)CSC#N 86050495 DSSMVYRJIQOAML-MOPGFXCFSA-N 370.628 6.093 50 1 FKGF biogenic CC(C)(CC(=O)O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587956129 VLNNAODFBYVNBC-UHFFFAOYSA-N 358.332 5.264 50 1 FKGF CC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356807495 XVBFWNDVKMZFNW-WXRGLTTHSA-N 354.531 5.464 50 1 FKGF C=C1CC[C@]2(NC)[C@H](C)CC[C@@H]3[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@@H]1[C@@H]32 2356824094 GSCYNRKLOLKIAF-KLCUJARQSA-N 360.611 5.501 50 1 FKGF C=C(Br)[C@](C)(Cl)CC[C@@H](Br)C(C)(C)Cl 1637613 BCDTUPZZPAMTHE-PSASIEDQSA-N 366.952 5.454 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 42875332 GMAAJLJNAMIUSD-HROGELHOSA-N 368.558 5.998 50 1 FKGF CC(=NNC(N)=O)C1=CC[C@@]2(C)[C@H]3CCC4=C(CCC4(C)C)[C@H]3CC[C@@H]2C1 2356535752 IYDBAKSZTCQSKT-TVLQYADYSA-N 369.553 5.310 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCCCCCC[C@H]1Cl)O2 587382072 NJUWKLQEODRFPH-CTNGQTDRSA-N 363.929 5.803 50 1 FKGF CCCC[C@@H](CC)C/C(C)=C/[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 42875795 YWMRTMZJBMOTAU-QANQYSBMSA-N 368.558 5.998 50 1 FKGF CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103995184 BCVSXCAFRRGOPC-JTSKRJEESA-N 358.416 5.551 50 1 FKGF CC/C=C/[C@H](/C=C(\C)C[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1)CC 238736631 SRXLLJDSYPTQNE-ZEHOMJIZSA-N 366.542 5.774 50 1 FKGF CCCCCCCCc1ccc(-c2[nH]c3cccc(F)c3c2CCl)cc1 587632688 HOXDJQOQCUZLQY-UHFFFAOYSA-N 371.927 7.616 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587187968 MVYYTAZDJFEROY-UYRXBGFRSA-N 351.409 5.206 50 1 FKGF CCCCC[C@H](/C=C/C=C\C/C=C/C=C/[C@@H](CCCC(=O)O)OO)OO 85966946 PCIOUQYHTPPZEM-BZCLYLBESA-N 368.470 5.153 50 1 FKGF CCCCC[C@@H](Cl)[C@@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCC(=O)O 231930274 QHTKGYPZKJWJFA-MROQNXINSA-N 366.156 5.641 50 1 FKGF CC[C@H](Br)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587898687 PAYSPXPIRYUZOW-KRWDZBQOSA-N 363.682 5.594 50 1 FKGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 43620329 IPFKHSYXIZSGTC-BXDRECAWSA-N 360.881 5.243 50 1 FKGF C=C([C@H]1COC2(OO1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2 44280337 HAVMGJKJYMEDRU-PJTPXRGVSA-N 370.533 5.258 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1C=CCC=CCC=CCCCC(=O)OC 2356430827 RQOGDHBYTJYMHH-XLIFZOOWSA-N 366.929 5.199 50 1 FKGF CNc1c(F)cccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587135819 PDLSFGPELNBVCK-UHFFFAOYSA-N 367.318 6.068 50 1 FKGF CCCC[C@@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169292526 GMAAJLJNAMIUSD-IKLNAOFOSA-N 368.558 5.998 50 1 FKGF C[C@@H](Cl)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500334 BDIWLMIJGGFBEH-LRTDBIEQSA-N 358.840 5.193 50 1 FKGF O=C1C[C@](CCl)(c2ccc(Cl)s2)Oc2c1ccc1c2CCCC1 587530705 GXXRLSXGIVRCSF-SFHVURJKSA-N 367.297 5.380 50 1 FKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 587921571 HIMGGOAWHLVJPT-JAIQZWGSSA-N 372.497 5.574 50 1 FKGF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@@H](Br)[C@@]1(C)CCC=C(C)C 2356793451 KNYOIQFIGFMYJD-ZRNYENFQSA-N 369.387 6.186 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C=C/[C@@H](C/C=C\CCCC(=O)O)OO)OO 85602635 CXDIKCDVBUPCCG-DUHUEDJYSA-N 368.470 5.153 50 1 FKGF Cl[C@H]1c2ccccc2[C@]2(c3ccccc3)OO[C@@]1(c1ccccc1)O2 1617347 OOWNMAQQRZZARS-PCCBWWKXSA-N 350.801 5.013 50 1 FKGF Cc1cc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587500263 ZQQGZMXKBYPRKB-HSZRJFAPSA-N 368.904 5.590 50 1 FKGF CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)CC(/C=C\N=C(Cl)Cl)=CC[C@@H]12 140142531 JOJUODIBULSKBG-UGKBWTLXSA-N 350.717 5.075 50 1 FKGF Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587499513 UQMVWBBJFXDCTI-QFIPXVFZSA-N 354.877 5.282 50 1 FKGF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@H](Br)[C@@]1(C)CCC=C(C)C 2356793446 KNYOIQFIGFMYJD-FYQPLNBISA-N 369.387 6.186 50 1 FKGF O=C(CCCCCCc1ccccc1)NNc1c(Cl)cncc1Cl 84654753 FSWISXOFRNLOMO-UHFFFAOYSA-N 366.292 5.025 50 1 FKGF Fc1ccccc1C[C@@H](Br)c1cc2c3c(cccc3n1)CC2 587212921 MHNSJDQRCUPZJH-OAHLLOKOSA-N 356.238 5.151 50 1 FKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)C[C@@H](C)[C@@](C)(O)OO1 2356429490 WLSHRUVGKAXXOJ-KOVSNXQUSA-N 374.565 6.522 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\C/C=C\CCCC(=O)O 169622216 ZPCHFWGBCMRNFG-LUZGOERCSA-N 352.902 5.111 50 1 FKGF O=C1c2ccccc2-c2c(CCCl)c(CCCCl)nc3cccc1c23 587104984 ZXLDYLFJYTUUPV-UHFFFAOYSA-N 370.279 5.399 50 1 FKGF CC[C@H](C)c1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419053 WKDXTJXWVVHJMR-CYYCYGDNSA-N 370.876 5.090 50 1 FKGF C=C(C)[C@H](Br)C[C@H](Br)C(C)=CC(Cl)Cl 2356731904 KQHIOMQBBGDCNC-BDAKNGLRSA-N 364.936 5.230 50 1 FKGF CO[C@@]1(C)OC[C@@]2(C)O[C@@H](C)[C@@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 195480799 IUOBFSFZOAAPND-MDMHHNQBSA-N 372.622 5.124 50 1 FKGF Fc1cccc2c1[C@](C1CC1)([C@H](Cl)c1ccccc1)N1CCC[C@H]1C2 963113221 SKURDFVPECKYFK-VLCRHTCISA-N 355.884 5.432 50 1 FKGF C=C(Cl)/C(=C\Br)CC[C@@H](Br)C(C)(C)Cl 49553032 AWTHGCZBYVEAJW-JGAIRUGNSA-N 364.936 5.579 50 1 FKGF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)[C@H](C)Cl 587625734 KVCGSZZQUZDWPN-YFKPBYRVSA-N 372.696 5.080 50 1 FKGF C/C(N)=C(/C#N)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923163 RZIYRRWDRDBGSY-FOWTUZBSSA-N 374.444 5.311 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587187509 HZABOYXKEIOTIM-JXAWBTAJSA-N 359.432 6.242 50 1 FKGF C/C(=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCCCC1 587969273 XNODSHMEXPHDCX-LUAWRHEFSA-N 366.399 7.204 50 1 FKGF Cc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1C#N 587187711 JGLPDEWUJVHWCJ-UHFFFAOYSA-N 359.323 6.067 50 1 FKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCCCC2)N1 587683933 ILFGXDWBANBMEC-APPDUMDISA-N 374.725 5.137 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCCl)c1ccc(F)cc1 963260018 VPYXAXOOQRYKJB-WZONZLPQSA-N 373.943 6.135 50 1 FKGF CC(C)(C)[C@H]1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 169689429 NMJUGIJIYSYDQE-JCKWVBRZSA-N 362.502 5.181 50 1 FKGF Clc1cccc(/C=C/CSSC/C=C/c2cccc(Cl)c2)c1 473123245 UPFOQPRNZUNDLY-FCXRPNKRSA-N 367.366 7.101 50 1 FKGF ClCCCOc1cccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963110490 PWMKZZXYWLCPIL-GOSISDBHSA-N 370.707 5.236 50 1 FKGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)c1cccs1 1857571374 HPJJDPQSNKKHCR-NTEUORMPSA-N 372.276 6.911 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CCl)[C@H](Br)C[C@@H]1Br 2356468563 IBWBTIUOMWLVDJ-KATARQTJSA-N 364.936 5.064 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169369793 PGURXSLSPSOJSS-ZJSJBZJDSA-N 354.531 5.909 50 1 FKGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCCl)cc1)CC2=O 587462489 ZTMIYOZTVZCIAJ-FQEVSTJZSA-N 374.864 5.059 50 1 FKGF CCc1cc2ccc([C@@](C)(C#N)Cc3cccc(C=CC#N)c3)cc2nc1O 2356705353 JAIPMTLDTUHVHD-XMMPIXPASA-N 367.452 5.064 50 1 FKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@]23OO4 169340798 KQRWFKXRJIUUEU-WBKUQYDJSA-N 372.505 5.015 50 1 FKGF COc1cccc(-c2c(CCCCCl)cnc3c2oc2ccccc23)c1 587356948 CMVVTZCUFFULJM-UHFFFAOYSA-N 365.860 6.218 50 1 FKGF COc1cccc(-c2c(C)c(CCCCl)nc3c2oc2ccccc23)c1 587357030 DLRIBTNXAASCRP-UHFFFAOYSA-N 365.860 6.136 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC)cc1)CC2=O 587461862 URXJKNMMDGUUMU-NRFANRHFSA-N 358.865 5.007 50 1 FKGF CC1(C)C(Br)=C[C@@H](Cl)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356413129 ODQMAXOZRZQEKI-NXRJPMIISA-N 368.142 5.238 50 1 FKGF CCC=CCC=CC=CCCCCCC[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356531806 AKYCDMCRAMMZSV-FCHUYYIVSA-N 364.526 6.140 50 1 FKGF C=C(CC/C=C(\C)CC[C@@H]1OC1(C)C)[C@H](Cl)CN=C(Cl)Cl 13375049 SGSUCMPCVPXNFI-BLOBHPOZSA-N 352.733 5.668 50 1 FKGF CC(C)(C)[C@@H]1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 169689428 NMJUGIJIYSYDQE-DDUZABMNSA-N 362.502 5.181 50 1 FKGF C=C[C@](Cl)(CBr)CC[C@@H](Cl)C(C)(C)Br 85855455 VHVSYKNPIGTGLL-PSASIEDQSA-N 366.952 5.106 50 1 FKGF biogenic N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 113669182 YIUKSZMANNPCEV-SFHVURJKSA-N 367.235 5.365 50 1 FKGF Cc1c(Br)cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1C 587187367 FOOUJYLRQQRGIO-ZSOIEALJSA-N 352.235 5.006 50 1 FKGF CSc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1 587924816 KGXAPKUHNDNVKB-RIYZIHGNSA-N 366.467 5.007 50 1 FKGF C[C@H](CCCCCC[C@@H](O)CCCCCCCSC#N)CSC#N 86050502 YLYGPNWVFLIQJO-MOPGFXCFSA-N 370.628 6.093 50 1 FKGF biogenic CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@H]12 2356478775 RKNMPQSLAZUFIT-JBRFXWQVSA-N 366.545 5.858 50 1 FKGF C[C@@H]1CC[C@@H]([C@@H](C)COCc2ccccc2)[C@@]23CC[C@@](C)(CC[C@@H]12)OO3 43099928 DINSVHIETRMGRO-HXDKXCNLSA-N 358.522 5.535 50 1 FKGF O=C(Sc1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 13676443 SBOBCAVLVAWHSG-UHFFFAOYSA-N 365.237 5.118 50 1 FKGF C=C[C@@]1(C)CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1CCC(C)=O 85852485 CXHXORZSDUHWBM-VYMYIBDJSA-N 369.387 6.164 50 1 FKGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 104691062 NBTPAFQOTIYHIR-WZONZLPQSA-N 370.452 5.421 50 1 FKGF C=C(Br)[C@](C)(Cl)CC[C@H](Br)C(C)(C)Cl 1637614 BCDTUPZZPAMTHE-WCBMZHEXSA-N 366.952 5.454 50 1 FKGF C[C@@]1([C@H](Br)CO)CC=C2[C@@H](CC[C@@H]3[C@@]4(C)C[C@H]4CC[C@@]23C)C1 34742963 IGLAYEXSNKYXCA-WINLCFSHSA-N 367.371 5.321 50 1 FKGF CCCCCCCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl 103286723 INJFYHGVVSWPSM-RKCSUWQLSA-N 370.364 6.213 50 1 FKGF CCOC(=O)c1c([C@H](C)Br)[nH]c2ccc([C@H](C)CC)cc12 587639548 ZKTZSQSHWFBPJQ-MNOVXSKESA-N 352.272 5.314 50 1 FKGF CC1(C)C(Br)=C[C@@H](Cl)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356413128 ODQMAXOZRZQEKI-MFHWUAJNSA-N 368.142 5.238 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/CBr)nc2c1 586972930 CUNXZHLUOCVOPN-OWOJBTEDSA-N 373.094 5.009 50 1 FKGF CC/C=C/[C@@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 44404892 BHBZTOVSDRPRQX-FFDLALJLSA-N 366.542 5.774 50 1 FKGF CCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587499581 WACPDDVVAZKDIU-QFIPXVFZSA-N 371.908 5.103 50 1 FKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 587529689 BDFHJYLFIMSSQK-FQEVSTJZSA-N 360.906 5.343 50 1 FKGF C[C@]1(CCl)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587325994 JBMUENFWPQXLHS-CEWLAPEOSA-N 374.839 5.058 50 1 FKGF CC(C)[C@@H]1CC=C2C[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)C[C@@H]2[C@H]1C 2356798582 SRJBAIOQMBORJG-IVURAULGSA-N 369.387 5.566 50 1 FKGF COc1cc2c(cc1OC)[C@@H](Cl)C(c1ccc(Cl)cc1)=C2Cl 1617199 BURBDTYLYNEQGN-MRXNPFEDSA-N 355.648 5.758 50 1 FKGF CC1(C)CCC[C@]2(C)O[C@]3(/C=C/c4cccc5ccccc45)C=C[C@@]12OO3 299838289 ULCKMHIALUQAAE-HEPBEQDESA-N 362.469 5.805 50 1 FKGF O=C1C[C@@](CCCl)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587508723 ZWTHYNBFZIPQHQ-NRFANRHFSA-N 358.840 5.194 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3c(F)cccc3Cl)c2c1 587640361 CMGVKUPREAZIJN-LLVKDONJSA-N 350.264 6.880 50 1 FKGF CC1(C)[C@H]2CC=C(C=CN=C(Cl)Cl)C[C@]2(C)C[C@@H](O)[C@@H]1Cl 2356608256 JOJUODIBULSKBG-NFFDBFGFSA-N 350.717 5.075 50 1 FKGF CCC[C@@H](Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1618020 GXROZKSSJBDWAY-JOCHJYFZSA-N 366.466 5.919 50 1 FKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCCCC2)N1 587683938 ILFGXDWBANBMEC-PIGZYNQJSA-N 374.725 5.137 50 1 FKGF Cc1nc(C(C#N)=Cc2ccco2)sc1N=Nc1ccccc1[N+](=O)[O-] 2356818510 KRIDYBGAWAEDDC-UHFFFAOYSA-N 365.374 5.432 50 1 FKGF C=CCc1c(CBr)nc2cccc3c2c1-c1ccccc1C3=O 587100786 AETJSZPNMNACPV-UHFFFAOYSA-N 364.242 5.070 50 1 FKGF O=C1C[C@@H](c2cccc(CBr)c2)Oc2c1ccc1c2CCCC1 587497344 CBNHXQIHSSETPA-IBGZPJMESA-N 371.274 5.167 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356336690 PVDHZAKYWJYCOD-MFPFFRNPSA-N 356.547 5.688 50 1 FKGF C=C1CC[C@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356433017 TZEMMCWTQQXORZ-DZGCQCFKSA-N 360.133 5.741 50 1 FKGF CC(C=C[C@H](Cl)[C@@](C)(Cl)C=CBr)=CBr 2356748103 UWZOIUBBJJHQJC-UWVGGRQHSA-N 362.920 5.355 50 1 FKGF CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104695973 QLOAAYOKQMRPIZ-ZHRRBRCNSA-N 374.871 6.065 50 1 FKGF Cc1ccc2c3c(cc([C@H](Cl)c4ccccc4)nc13)-c1ccccc1C2=O 586994061 RYGXDWDMKWTISG-JOCHJYFZSA-N 369.851 6.083 50 1 FKGF C[C@H](CCCCCCc1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 85666465 DIUXCDVMQICTSE-STZQEDGTSA-N 362.510 5.550 50 1 FKGF biogenic CC1(C)CCc2cc(/C=C(C#N)/C(C#N)=C/c3ccc(O)cc3)ccc2O1 238753652 RTNSFMANFMBMKP-UFTLRZAHSA-N 356.425 5.010 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@]43C)[C@H]1C[C@@H](Br)C2=O 253633503 GSOJBPSBUAABDR-BBNZPBLFSA-N 351.328 5.282 50 1 FKGF C[C@](Cl)(C=C[C@H](Cl)[C@@](C)(Cl)C=CCl)CBr 2356688704 JQUYRIQWDHGFCY-GUBZILKMSA-N 354.930 5.292 50 1 FKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC[C@H](O)CCl)cc1 27518009 JQOMWCZEDJNCPH-NRSPTQNISA-N 362.897 5.058 50 1 FKGF CCC=C[C@H](CC)CC=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356868868 XFGVHASPCNQRND-VNYTWHDVSA-N 352.515 5.384 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](C)Cl)CC2=O 587460173 RXLDTQZJUROGGS-SPLOXXLWSA-N 358.865 5.141 50 1 FKGF Cc1cc(Cl)cc2c(Oc3ccccc3)c(CBr)[nH]c12 587623426 GIEFRAYVNUTONT-UHFFFAOYSA-N 350.643 5.817 50 1 FKGF COc1cc(OC)cc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c1 1772600624 NGYJUCHVHRYXDJ-CIAFOILYSA-N 371.436 5.347 50 1 FKGF CC(=CC[C@H](Br)C(C)(C)Cl)[C@H](Cl)CBr 2356328009 MWVIFUOYXAVDRG-BDAKNGLRSA-N 366.952 5.106 50 1 FKGF OCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586895588 OCKKEKPUOQOFLQ-UHFFFAOYSA-N 350.312 5.380 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169370237 LXNOXMXZWPALFI-BYEILAJTSA-N 352.515 5.685 50 1 FKGF CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1 195090176 HEKWJUVEYKOMNP-UHFFFAOYSA-N 368.505 5.550 50 1 FKGF N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1cccs1 473247144 AKRNSOZODRGNSB-DTQAZKPQSA-N 354.434 5.686 50 1 FKGF CC(=C/Br)/C=C/[C@@H](Cl)[C@@](C)(Cl)/C=C/Br 85951811 UWZOIUBBJJHQJC-IBGIEBTCSA-N 362.920 5.355 50 1 FKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@H](Cl)C[C@H]1Cl 2356520095 ZSUWZTFWKFTZOO-IMSYWVGJSA-N 354.930 5.126 50 1 FKGF CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OO 85428193 BCEKIAHCCATNGN-NTDAYINTSA-N 350.499 5.773 50 1 FKGF in-vitro N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C(/O)c1ccc(Cl)cc1 100869610 VRLKQSJBCIHPFA-QINSGFPZSA-N 367.619 5.078 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996295 CRQRHTHHFGOFLA-JTSKRJEESA-N 358.416 5.551 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCCCCCC[C@@H]1Cl)O2 587382079 NJUWKLQEODRFPH-PZJWPPBQSA-N 363.929 5.803 50 1 FKGF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H](Cl)CCCCC[C@H]1Cl 587458879 BRFUQKFRPTYEQK-IAGOWNOFSA-N 371.304 5.228 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(Cl)s1 963228714 MPWDKKZNDGXGML-SCLBCKFNSA-N 354.346 5.541 50 1 FKGF CC(C)[C@@H]1CC=C2C[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)C[C@@H]2[C@@H]1C 2356798583 SRJBAIOQMBORJG-MLEIXFNDSA-N 369.387 5.566 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Cl)cc1)CC2=O 587460589 NPWDTXHBJWNOIO-IBGZPJMESA-N 365.256 5.098 50 1 FKGF COc1ccc(/C(Cl)=C/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 1772623835 AAVDLQOSMPGZED-QGIOEKRZSA-N 362.816 5.089 50 1 FKGF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 39009322 OOTTXHPHVJPZLE-GNVJSZRZSA-N 369.387 5.876 50 1 FKGF CCCC[C@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44388269 PGURXSLSPSOJSS-QRKMNUTDSA-N 354.531 5.909 50 1 FKGF CCCCN(CCCC)C(=O)c1ccc(N(CCCl)CCCl)cc1 49746855 HJTDMSVRZXFXDK-UHFFFAOYSA-N 373.368 5.013 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)c1cccnc1 95596925 QWDDTOMERKJRQK-XMMPIXPASA-N 369.404 5.185 50 1 FKGF CO[C@@H]1O[C@]2(c3ccc(-c4ccccc4)cc3)CC[C@H]3CCCC[C@]31OO2 101971793 DESRHEDRYODNTQ-XBYSBRQOSA-N 366.457 5.180 50 1 FKGF O=[N+]([O-])c1cccc2[nH]c(CCl)c(-c3ccccc3Br)c12 587643566 GJPCWVZSIVCQSL-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCC=Cc2ccccc2)OO[C@@]1(C)O 2356429488 WLSHRUVGKAXXOJ-CBJLPSGESA-N 374.565 6.522 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356566981 BUJRRZDBOYIMBT-CUXKYVRBSA-N 366.542 5.774 50 1 FKGF O=C(O)c1cccc2c(CCl)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587639286 ZTUGOLURTIEBEE-UHFFFAOYSA-N 354.620 5.579 50 1 FKGF O=P(CCCCCN=C=S)(Oc1ccccc1)Oc1ccccc1 1772614505 HUGSITWKKIEFST-UHFFFAOYSA-N 361.403 5.611 50 1 FKGF C=C(Br)[C@](Br)(CCl)CC[C@H](Cl)C(C)C 73370146 TXSWJODTCRJFLS-VHSXEESVSA-N 366.952 5.311 50 1 FKGF CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103995171 BCVSXCAFRRGOPC-VGSWGCGISA-N 358.416 5.551 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169361797 BHBZTOVSDRPRQX-TUVZOCBHSA-N 366.542 5.774 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586973048 FHFJIMMYZLZQGF-CYBMUJFWSA-N 371.322 5.907 50 1 FKGF C=C[C@@](Cl)(CBr)CC[C@@H](Cl)C(C)(C)Br 85855463 VHVSYKNPIGTGLL-SCZZXKLOSA-N 366.952 5.106 50 1 FKGF biogenic CCCCC/C=C\C[C@H](/C=C/C=C/C=C/[C@@H](CCCC(=O)O)OO)OO 102185563 FZVYTGLHRWEILG-WBPWTJHMSA-N 368.470 5.153 50 1 FKGF CC(C)c1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103183582 BESRNNXBPJIRJI-UHFFFAOYSA-N 372.896 5.049 50 1 FKGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628325 KIHDMQSSWPNEAE-UHFFFAOYSA-N 371.626 5.458 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(Oc3ccc(C(C)C)cc3)c2c1 587638922 JTVYPHNVOPUVMP-OAHLLOKOSA-N 355.909 7.336 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(CCl)co2)cc1 587906549 KICPNQABLVLUQO-UHFFFAOYSA-N 358.224 5.142 50 1 FKGF CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103995189 BCVSXCAFRRGOPC-HTAPYJJXSA-N 358.416 5.551 50 1 FKGF C[C@H](Cl)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495385 CVECKRJPCMZITA-NYHFZMIOSA-N 354.877 5.139 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCCl)cc1 587628971 WXOAOXYRBQRESR-UHFFFAOYSA-N 364.291 6.706 50 1 FKGF Oc1ccc2c(c1)[C@@H](c1cc(F)cc(S(F)(F)(F)(F)F)c1)NCC2 963341955 PAFLQWMTAFHNHG-OAHLLOKOSA-N 369.330 5.424 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 253633508 GSOJBPSBUAABDR-HRVGUFCPSA-N 351.328 5.282 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587188373 QXOOQHRLDFJVCU-XYOKQWHBSA-N 371.334 6.284 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(S(F)(F)(F)(F)F)cc1 587917301 FQDHHERTARMMJC-UHFFFAOYSA-N 368.754 6.406 50 1 FKGF CCN(CC)c1ccc(/N=C2/C=CC(=C(C#N)C#N)c3ccccc32)c(C)c1 18044477 UZYPUCUBYZRBEV-PNHLSOANSA-N 366.468 5.333 50 1 FKGF CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@@H]5[C@H](C)CC[C@]354)C[C@]2(C)CC1 2356739181 GZIOHXRVLOOKSP-VBVMWYGWSA-N 350.546 6.411 50 1 FKGF O=C1C[C@](CCl)(C2CCC(F)(F)CC2)Oc2c1ccc1c2CCCC1 587505685 MKJGXGNTBJSLJC-IBGZPJMESA-N 368.851 5.334 50 1 FKGF S=C=NC=CCCCCCCCCCCCCCCCCN=C=S 2356499049 QGYAHYNDXXEKGZ-UHFFFAOYSA-N 366.640 7.557 50 1 FKGF CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OSSO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 169292287 ZTQOUQGOZHUYNV-RKGSWTEASA-N 374.656 7.153 50 1 FKGF C[C@@H](C#N)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587188455 RGZHGWRKVGXZHP-JTQLQIEISA-N 373.350 6.514 50 1 FKGF S=C=NC=CCCCCCCCCCCCCCCC=CN=C=S 2356458012 GBHPXEBSRFXGTN-UHFFFAOYSA-N 364.624 7.681 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587024773 CISMCYCZWOPLBZ-RJRFIUFISA-N 352.353 6.452 50 1 FKGF C=C(C)[C@@H](CCC(C)=CCOc1c2occc2cc2ccc(=O)oc12)OO 2356391061 ILYZUSHBLPOZIC-QGZVFWFLSA-N 370.401 5.079 50 1 FKGF CC[C@@H](C)c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372484 LUOZUAGWVFRJDA-SZNDQCEHSA-N 357.881 5.190 50 1 FKGF C=C(c1ccc(C)cc1)[C@H]1OOC2(CCCC2)O[C@@H]1c1ccc(C)cc1 95583229 MBYVZBQFDMNAMG-FGZHOGPDSA-N 350.458 5.675 50 1 FKGF CCCCC[C@H](/C=C/C=C\C=C/[C@H](C/C=C\CCCC(=O)O)OO)OO 102185597 CXDIKCDVBUPCCG-ZTMVURLASA-N 368.470 5.153 50 1 FKGF C=C[C@]1(C)CC[C@H]2C3=C1C=C(C#N)C(C)(C)c1[nH]c4cccc(c4c13)C2(C)C 2356473169 WBJRBYKJNBYZBT-MRDQGFSESA-N 368.524 6.556 50 1 FKGF CC(=O)N[C@@H](CCCC#C/C=C/Cl)CCCCCCC(Cl)Cl 85952740 ARWYVRRMHQNULF-DKGMDFAASA-N 366.760 5.562 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587187510 HZABOYXKEIOTIM-NBVRZTHBSA-N 359.432 6.242 50 1 FKGF O=C1C[C@](CCl)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587499350 SIAGIJWTCHTRSM-QFIPXVFZSA-N 365.860 5.146 50 1 FKGF COC(=O)C[C@@H]1OO[C@@](C)(CC(C)=CC(C)=CCc2ccccc2)C[C@H]1C 2356548919 JWRNNTZFDDYDJM-NWSQWKLXSA-N 372.505 5.190 50 1 FKGF C[C@@H]1C=CC=C(C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248264 APQFAJIOCXNYOD-AVIJNYRZSA-N 352.481 5.178 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(NC(=O)CBr)c2c1 587638938 KFPNVEBLYSKAIV-NSHDSACASA-N 365.315 5.312 50 1 FKGF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)[C@H](Br)CCC(=C)[C@]2(O)C1 2356744572 SPJZQPJMDFSONI-UAFMIMERSA-N 365.355 5.716 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 238750366 PGURXSLSPSOJSS-MHYXUVESSA-N 354.531 5.909 50 1 FKGF C[C@@]1([C@@H](Cl)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510190 VLDZKORGMUGOKY-SFTDATJTSA-N 358.840 5.409 50 1 FKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1 653723914 MONOMZXDURAAAV-GZRFBZBPSA-N 370.917 5.696 50 1 FKGF biogenic CCC=C[C@H](CC)CC(=C[C@@]1(CC)C[C@](C=CC(=O)O)(CC)OO1)CC 2356583368 RZRGZFAFBCXRPE-BWAGFHJFSA-N 364.526 5.996 50 1 FKGF [C-]#[N+][C@]12C=CC(C)(C)c3[nH]c4cccc5c4c3[C@@H]1[C@H](CC[C@]2(C)C=C)C5(C)C 238739761 WSICJUMIZBZXCS-URWKRNFESA-N 370.540 6.650 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)([C@@H](C)Cl)CC2=O 587457944 DWHXGTSVMXHGQN-JLCFBVMHSA-N 372.892 5.395 50 1 FKGF CCCCCCCC/C=C\CCCCCCCC(=O)CBr 36079958 DQNARYFGPRHNDP-KTKRTIGZSA-N 359.392 6.988 50 1 FKGF C[C@]1([C@H](Cl)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510187 VLDZKORGMUGOKY-NHCUHLMSSA-N 358.840 5.409 50 1 FKGF Cc1ccc(NC(=O)NC/C(C#N)=C\c2ccccc2Cl)cc1Cl 40565409 AQXCZAJJDGRCNN-JYRVWZFOSA-N 360.244 5.031 50 1 FKGF CC(C)(F)[C@H](Br)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587086524 CFWJQDANGVOZQW-SECBINFHSA-N 371.197 5.359 50 1 FKGF CCCc1ccc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587460470 MUGJWZWTIHUGJQ-JOCHJYFZSA-N 372.892 5.397 50 1 FKGF C=C(c1ccc(Cl)c(Cl)c1)N(C(=O)CCl)c1c(C)cccc1C 103198449 NALASOUJYJKOOI-UHFFFAOYSA-N 368.691 5.853 50 1 FKGF CC/C=C/[C@@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169370234 LXNOXMXZWPALFI-NZOHZBOMSA-N 352.515 5.685 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)([C@H](C)Cl)CC2=O 587457943 DWHXGTSVMXHGQN-FPTDNZKUSA-N 372.892 5.395 50 1 FKGF CCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772619138 FYZNAUHTZBKVEE-UHFFFAOYSA-N 362.256 5.048 50 1 FKGF C=CCc1cc(-c2cc(C[C@@H](C)Br)ccc2O)ccc1OC 70463296 ZZVCORQGJBSHDI-CYBMUJFWSA-N 361.279 5.122 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12 14615477 ZUQQZYOCHBYEJX-IFQWMDHTSA-N 354.534 5.526 50 1 FKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@H](Cl)C[C@@H]1Cl 2356520096 ZSUWZTFWKFTZOO-JXUBOQSCSA-N 354.930 5.126 50 1 FKGF CC(C)=CCCC(C)=C[C@@H]1CC[C@]2(C)[C@H](Br)CC[C@@](C)(O)[C@H]12 2356662046 ZXWHFWJXLBFYEO-OMQSBVIBSA-N 369.387 6.020 50 1 FKGF CN(C)CCOc1ccc(/C(=C(/C#N)c2ccccc2)c2ccccc2)cc1 34524629 RVKOOUBCVRNCCL-IZHYLOQSSA-N 368.480 5.110 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)ccc1CCl 587914131 ZODPQMPBOPKEJS-UHFFFAOYSA-N 359.174 5.506 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@H]1[C@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)C#N 2356333597 UAMLJAIZEUCBHU-OSDNSKGMSA-N 356.579 6.052 50 1 FKGF Nc1cc(Br)ccc1-c1[nH]c2cc(F)ccc2c1CCl 587632631 MXFMUKXGGGYRTC-UHFFFAOYSA-N 353.622 5.058 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)cc1C(F)(F)F 587913715 DKJWNVNPNNOBEM-UHFFFAOYSA-N 367.779 5.502 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1)CC 2356754487 HGRUNRAUYWALHI-LLMJNHHCSA-N 366.542 6.076 50 1 FKGF CCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496201 BXRLVSGEPGFLNE-QFIPXVFZSA-N 354.877 5.227 50 1 FKGF O=C1C[C@@](CCl)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587496928 GXZUVNDQIYFCGJ-HSZRJFAPSA-N 366.888 5.154 50 1 FKGF CCC=CC[C@H](C=CC=CCC=CCC=CCC=CCCC(=O)O)OO 2356342627 BNHQALRBDJVUQB-OAQYLSRUSA-N 360.494 6.017 50 1 FKGF C[C@]1([C@@H](Cl)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510184 VLDZKORGMUGOKY-LEWJYISDSA-N 358.840 5.409 50 1 FKGF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCBr)cc1 587629946 AJAHCDHSBNGVDZ-UHFFFAOYSA-N 370.624 5.704 50 1 FKGF C/C(=N\NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1857760591 HUXCOLYBPNDEMQ-GREVIXSFSA-N 354.881 5.191 50 1 FKGF CCC=C[C@H](CC)CCC[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356405178 JOIXERUBSWWODE-YOUFYPILSA-N 354.531 5.608 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587189184 ZDLUBEMYMBCOBP-RGEXLXHISA-N 351.409 5.206 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1 2356578279 LPSSNYLPAQXPPZ-SESVDKBCSA-N 350.499 5.606 50 1 FKGF C=C(c1ccc2c(c1)CCCC2)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 44181502 CIFGOQIDRJJWHG-SOGODYJTSA-N 366.501 5.078 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CCl)cs1)CC2=O 587494911 OAFRBLKBTAWVIW-GOSISDBHSA-N 350.867 5.026 50 1 FKGF C=C1CC[C@]2(C)C(CC[C@](C)(O)[C@@H](O)CCl)=C(C)CC[C@H]2C1(C)C 2356351825 GNPJSHXMYAHCJO-MMKMLUHNSA-N 354.962 5.226 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CBr)[C@@H](Br)C[C@H]1Cl 2356582455 IRLVZQNJQWALFU-JXUBOQSCSA-N 364.936 5.064 50 1 FKGF O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1cccc2ccccc12 299818868 AMWPSFOFBGXSTL-MFKUBSTISA-N 374.871 5.542 50 1 FKGF CC(C)(F)[C@@H](Br)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587087827 VUXRQALIZCDWKP-HNNXBMFYSA-N 363.230 5.539 50 1 FKGF COc1cc2c3c(c1)O[C@](C)(c1c(C)cc(C)c(CCl)c1C)[C@@H](C2)C3=O 587422675 RDZZGKYIMKUWPA-JTSKRJEESA-N 370.876 5.022 50 1 FKGF BrC/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586974242 TXYHKMMEJGZJKN-UTCJRWHESA-N 370.275 5.248 50 1 FKGF CC(C)Cc1c(CCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986770 UNRQTWJHFLWRTD-UHFFFAOYSA-N 351.833 5.089 50 1 FKGF CCC[C@@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431276 DJWSWNSZGWYSGH-FIRLOTFOSA-N 356.547 5.688 50 1 FKGF CC/C=C/[C@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 58536515 LXNOXMXZWPALFI-VSSRFWCHSA-N 352.515 5.685 50 1 FKGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3ccc(Cl)cc3)n2)cc1 169348992 HRYXGKIFBIJWHU-KRWDZBQOSA-N 355.228 5.073 50 1 FKGF Cc1ccc2c3c(cc([C@@H](Cl)c4ccccc4)nc13)-c1ccccc1C2=O 586994064 RYGXDWDMKWTISG-QFIPXVFZSA-N 369.851 6.083 50 1 FKGF CCCCC[C@H](C=CC=CCC=CCC=CCCCC(=O)OC)OO 2356391131 RHUBLTIOJFCAFZ-HXUWFJFHSA-N 350.499 5.773 50 1 FKGF C[C@@H](Cl)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495392 CVECKRJPCMZITA-QRQCRPRQSA-N 354.877 5.139 50 1 FKGF C=C1CC[C@]2(N=C=S)[C@H](C)CC[C@@H]3[C@H](C)C[C@H](CC(C)(C)NC=O)[C@H]1[C@@H]32 2356792648 KAIKLVFUIDYGPS-CHRJYMETSA-N 374.594 5.027 50 1 FKGF C[Si]1(C)CC[Si](C)(C)OOC2(CCCCCCCCCCC2)OO1 473091442 XZVZKOLIDBBSFX-UHFFFAOYSA-N 374.670 6.308 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc2c(CCl)c(OC)ccc2c1 587907400 LJTLWNFLSFOCIQ-UHFFFAOYSA-N 371.263 5.649 50 1 FKGF CC[C@H]1C(C#N)=C(c2cccs2)OC1(c1ccccc1)c1ccccc1 103295331 VXMRNMIVWBULSP-FQEVSTJZSA-N 357.478 5.983 50 1 FKGF Oc1cccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586896702 KASZBTNZFOOTPB-UHFFFAOYSA-N 364.339 5.711 50 1 FKGF Cc1c(CCCBr)nc2cccc3c2c1-c1ccccc1C3=O 587102787 YGSLNPXFKKEBOU-UHFFFAOYSA-N 366.258 5.082 50 1 FKGF COc1cccc(-c2cc(CCCCCl)nc3c2oc2ccccc23)c1 587359617 ZNABXCJXSLKINW-UHFFFAOYSA-N 365.860 6.218 50 1 FKGF CCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431278 DJWSWNSZGWYSGH-MFPFFRNPSA-N 356.547 5.688 50 1 FKGF biogenic CCC(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)[C@@H](CC)O[Si](C)(C)C(C)(C)C 2356744280 RNTPIUHADNCTHQ-FORWCCJISA-N 372.622 5.312 50 1 FKGF N#Cc1ccc2[nH]cc(-c3[nH]c4cc(Cl)c(F)cc4c3CCCl)c2c1 587627860 BWPCDOQGEAEWCO-UHFFFAOYSA-N 372.230 5.762 50 1 FKGF COC(=O)[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(CCC=C(C)C)[C@@H](Cl)CC[C@]21C 2356691705 UIZABROIEVWUKR-FBFBSROVSA-N 370.961 5.097 50 1 FKGF N#C/C(=C\c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 169330227 VKVLPJBAWCZTML-KPKJPENVSA-N 353.046 5.820 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CBr)c(Cc3ccccc3)c2c1 587638059 CDAPWDPXPKTAMY-CQSZACIVSA-N 356.307 6.167 50 1 FKGF O=CC1=Cc2cc(S(F)(F)(F)(F)F)ccc2O[C@H]1C(F)(F)F 1772650669 AEVMGUZAIYUSQZ-SNVBAGLBSA-N 354.218 5.250 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356550988 PSWZZBNSRFVMJA-CTAFRAEOSA-N 354.531 5.909 50 1 FKGF CC1(C)[C@@H](Br)CC[C@]2(C)[C@H]3CC[C@]4(C)O[C@@H]4C[C@]3(C)CC[C@@H]12 34574673 XGMCPPZMRUYEQT-XLXYOEISSA-N 369.387 5.950 50 1 FKGF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@@H]12 137280680 RKNMPQSLAZUFIT-NZWLCYNISA-N 366.545 5.858 50 1 FKGF C[C@H](Cl)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495388 CVECKRJPCMZITA-OYHNWAKOSA-N 354.877 5.139 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3ccc(OC(C)=O)cc3)c2c1 587639315 RFBHVHVJFDXEHH-ZDUSSCGKSA-N 355.865 6.013 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1 587638656 HRFBYMJITSVJID-KWJFTMPMSA-N 355.953 6.888 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356566980 BUJRRZDBOYIMBT-BPBCIEFSSA-N 366.542 5.774 50 1 FKGF CCCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1 43620448 YKBSELPMGIWJHX-UHFFFAOYSA-N 352.950 6.120 50 1 FKGF Clc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 64540346 SCPOTGFSWCBMDJ-UHFFFAOYSA-N 374.908 5.825 50 1 FKGF CCC/C=C1\C(C)=C(C#N)C(=O)N1c1c(C(C)(C)C)ccc(Cl)c1C 64744220 UZFQIPGEMGKCMH-GIJQJNRQSA-N 356.897 5.817 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587188458 RHGSKGGDRJBGQX-IZZDOVSWSA-N 363.726 5.179 50 1 FKGF CCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497578 JGOCEKRNCZNFQE-NPMXOYFQSA-N 368.904 5.616 50 1 FKGF CCCC[C@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44307607 PNXRNGKSFMKWQG-QFCZJPRCSA-N 356.547 5.989 50 1 FKGF CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104695978 QLOAAYOKQMRPIZ-OPAMFIHVSA-N 374.871 6.065 50 1 FKGF Fc1cc2c(Cc3ccccc3)c(CBr)[nH]c2cc1Cl 587627580 DIVKBECXHRKLFC-UHFFFAOYSA-N 352.634 5.446 50 1 FKGF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)[C@@H](Br)CCC(=C)[C@]2(O)C1 2356744571 SPJZQPJMDFSONI-IYWMVGAKSA-N 365.355 5.716 50 1 FKGF Fc1cc2c(-c3cccc(Br)c3)c(CCl)[nH]c2cc1Cl 587628353 LRLTVGKNYVOALW-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@@]1(C)C[C@@](C)(CC(=O)O)OO1 2356464570 OLZRJIILBGYRMH-DHNNRRLOSA-N 372.505 5.652 50 1 FKGF Cc1c(F)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587132629 GETSGSCIRXOBAD-UHFFFAOYSA-N 370.293 6.474 50 1 FKGF CCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356789514 DJWSWNSZGWYSGH-VDRZXAFZSA-N 356.547 5.688 50 1 FKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(CCl)CC[C@]4(C)[C@H]3CC[C@]12C 13760830 MOOITKDCFXXSDO-GUVRQMKRSA-N 366.973 5.204 50 1 FKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(SC)ccc3[nH]2)cc1 299866125 OLAPERCMNGIMCF-FOWTUZBSSA-N 362.502 5.195 50 1 FKGF C[C@H]1C[C@@](C)(C[C@H](C)CCCCCCC=Cc2ccccc2)OO[C@]1(C)O 2356429489 WLSHRUVGKAXXOJ-JSRBNTPPSA-N 374.565 6.522 50 1 FKGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@H]1COC2(CCCCC2)OO1 43356618 PFFOFGDYRXZZMP-FCHUYYIVSA-N 368.473 5.217 50 1 FKGF CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 100652559 SBEIFFDOHCBIQN-INIZCTEOSA-N 358.894 5.608 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356529738 QRDHVGGKSGYWJG-UDGWLPKNSA-N 368.558 5.854 50 1 FKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCl)(c2cccc(F)c2)N1 962946682 IGTDZTRNQBJSGK-VGOFRKELSA-N 370.899 5.494 50 1 FKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)C[C@@]45C 2356288226 YRVGJZNTZPIKEG-ASQRTMCPSA-N 370.533 5.291 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)OO)OO 102185572 PCIOUQYHTPPZEM-YGNZZZABSA-N 368.470 5.153 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587022850 AKLGZMDRZRXGHM-UHFFFAOYSA-N 361.748 5.997 50 1 FKGF [N-]=[N+]=NCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587259380 DMOZWPUKRUVZLM-UHFFFAOYSA-N 369.363 6.634 50 1 FKGF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CBr)cc1 587630668 OSKSSOTYAGYAGG-UHFFFAOYSA-N 356.597 5.661 50 1 FKGF OCCCCCC[C@@H]1COOC2(CCCCCCCCCCC2)OO1 1857611317 MLMBVGRUFQDIMK-LJQANCHMSA-N 358.519 5.209 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C(C)C)cc1)CC2=O 587460021 KQFZTPMTDYFKSL-QFIPXVFZSA-N 372.892 5.568 50 1 FKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1F 587503435 GVLXQGVXPOEMPT-QFIPXVFZSA-N 372.867 5.421 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccc1Cl 587898050 DVKIDNZOUKXNJH-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF Cc1ccc(SSC(=S)N2CCC(Cc3ccccc3)CC2)cc1 1857631331 DAIJSLDGZWGIOM-UHFFFAOYSA-N 373.612 5.975 50 1 FKGF C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 20157882 DZXGDLAKZTXDBZ-AEZZAFEZSA-N 368.908 5.281 50 1 FKGF Cc1cc(-c2cccc3cc[nH]c23)c(/C=C/C#N)c2c1NC(C)(C)[C@H](O)[C@H]2C 66077747 FEMGRFJEGDQZBL-XQTZDJHXSA-N 371.484 5.349 50 1 FKGF COc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498112 LYSICJXQCUWJMG-PEBXRYMYSA-N 370.876 5.062 50 1 FKGF CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](Cl)CCCCC[C@@H]1Cl 587458884 BRFUQKFRPTYEQK-IRXDYDNUSA-N 371.304 5.228 50 1 FKGF C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(C2CCCCC2)cc1 1857761821 SPEMKHFHWRBKTO-NLRVBDNBSA-N 370.496 6.042 50 1 FKGF Nc1cc(F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1N 587137024 OYADTVQNMXZQFT-UHFFFAOYSA-N 368.306 5.191 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 2356671056 LXNOXMXZWPALFI-VKRLORBYSA-N 352.515 5.685 50 1 FKGF C/C(=C\CBr)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 49757033 KQYUEKLNYFZILD-IHKHCKEISA-N 359.436 7.767 50 1 FKGF CCCCCCCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Cl 103286726 INJFYHGVVSWPSM-ZGUWOUCSSA-N 370.364 6.213 50 1 FKGF Fc1ccc(-c2nc3cccc4c3c(c2CCBr)CC4)cc1 587214143 WQAOIALYYVNEMV-UHFFFAOYSA-N 356.238 5.077 50 1 FKGF CCCCCCCCCSC(=S)N(C)N(C)C(=O)c1ccccc1 43411381 TVMJDNMNZMLXQW-UHFFFAOYSA-N 366.596 5.374 50 1 FKGF CCCCCCCCCS/C(=N/NC(=O)c1ccccc1)SC 43411554 FLFDEWVKQWORMU-CZIZESTLSA-N 352.569 5.534 50 1 FKGF CCCCCCCCCSC(=S)N(C)NC(=O)c1ccccc1 43411639 PQRLXLJLQMJQQR-UHFFFAOYSA-N 352.569 5.032 50 1 FKGF COc1cccc(-c2c(C(C)C)c(CCl)nc3c2oc2ccccc23)c1 587357347 HERQMCBFYJWQFW-UHFFFAOYSA-N 365.860 6.519 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1C=CCC=CCC=CCCCC(=O)OC 2356430825 RQOGDHBYTJYMHH-FIRLOTFOSA-N 366.929 5.199 50 1 FKGF C=C[C@](C)(O)CCC1=C(C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]12C 140421755 ANWHCRZHFKQLIE-JYBIWHBTSA-N 369.387 6.020 50 1 FKGF C[C@H](Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587009191 WJKRAPGUIZNIMQ-VIFPVBQESA-N 358.264 5.296 50 1 FKGF CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587208899 DGQVMJNTUHWECB-UHFFFAOYSA-N 364.876 5.204 50 1 FKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)C[C@@]45C 525915288 YRVGJZNTZPIKEG-ZEHRMIBFSA-N 370.533 5.291 50 1 FKGF biogenic CCCCCC[C@@H](Br)CCCCCCCCCCC(=O)O 33822351 OOXDKNSCVLIEIN-QGZVFWFLSA-N 363.380 6.706 50 1 FKGF Cc1c([C@@H](C)Br)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994273 XAQXUIHAAGRDOE-GFCCVEGCSA-N 366.258 5.519 50 1 FKGF O=C1C[C@@](CCCCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587499579 VYWTVLHCUQSIRI-QFIPXVFZSA-N 370.876 5.151 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587187637 JXQXYNGCXGSGRU-WUXMJOGZSA-N 361.754 5.608 50 1 FKGF CNCC[C@H](Oc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1 43574884 ZXWKLBTWUHVMTO-INIZCTEOSA-N 367.383 6.074 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104044533 KURLKPUIPZNZAA-JTSKRJEESA-N 374.871 6.065 50 1 FKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C2CC2)cc1 299855667 BFAAUGBOEVWXRU-OBGWFSINSA-N 356.473 5.282 50 1 FKGF N#C/C(=C\c1ccc(-c2cccs2)s1)c1nc2ccccc2s1 73219815 YHJBHPNSDAIUEG-ZRDIBKRKSA-N 350.493 6.150 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085955 PWTOXQVPDMMTSM-UHFFFAOYSA-N 356.707 5.331 50 1 FKGF C[C@](Cl)(C=C[C@@H](Cl)[C@@](C)(Cl)C=CBr)CCl 2356440092 NFUKOEFOLMOMIV-UTLUCORTSA-N 354.930 5.292 50 1 FKGF CCN(CC)c1ccc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1 104072733 XNGXUVISJAQYHY-NRFANRHFSA-N 363.505 5.501 50 1 FKGF CC(C)c1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(=N)[C@@H]2C#N)cc1 169688833 GJEFWNBDTHZBRB-UZLBHIALSA-N 370.481 5.372 50 1 FKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1)CC 2356634240 CIIHSLMHCIOPNX-LLMJNHHCSA-N 368.558 6.300 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 586973514 KXRHXZNBNNIWOO-SNVBAGLBSA-N 374.669 5.135 50 1 FKGF CCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499394 SLENKWMZSVGPJF-QHCPKHFHSA-N 368.904 5.617 50 1 FKGF COC(=O)[C@H]1[C@@]2(C)CC[C@H](Cl)[C@@](C)(CCC=C(C)C)[C@H]2CC[C@@]1(C)O 2356691706 UIZABROIEVWUKR-KWNDPWABSA-N 370.961 5.097 50 1 FKGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@@](C)(N=C=S)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)C#N 2356373054 QQXBCHYMIFYUTP-PKFFCROKSA-N 356.579 5.742 50 1 FKGF CC(C)Oc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972765 BDZQGNHPQRRJLT-CYBMUJFWSA-N 373.294 5.397 50 1 FKGF CCC=C[C@H](CC)CCC[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356405176 JOIXERUBSWWODE-QEUVDIPISA-N 354.531 5.608 50 1 FKGF Cc1cc(Cl)cc2c(CBr)c(-c3ccc(F)cc3)[nH]c12 587624734 PWKKJBRHZPWDFQ-UHFFFAOYSA-N 352.634 5.831 50 1 FKGF S=C(SSc1cccc2ccccc12)N1CCc2ccccc2C1 1857748185 XZQHFGVCYVZDQB-UHFFFAOYSA-N 367.564 5.923 50 1 FKGF CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)c3ccccc3C2=N1 4645547 KARUSPCPRQFURZ-MRXNPFEDSA-N 364.857 5.307 50 1 FKGF aggregator CC/C=C/[C@@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44404467 LXNOXMXZWPALFI-URLZKZCJSA-N 352.515 5.685 50 1 FKGF C[C@@]1(CCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327344 PJJCVEGKYPVXHS-QUCCMNQESA-N 362.828 5.058 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(OCC)cc1 963236290 XYEMTZWGWDNZTJ-VGOFRKELSA-N 357.925 5.224 50 1 FKGF C[C@H](Cl)/C=C/C(=O)N(Cc1ccc(Cl)cc1)C1CCCCCC1 103286718 HCJGNGRJXQNXHL-NRUITVPNSA-N 354.321 5.575 50 1 FKGF CCCCC[C@@H](Cl)[C@@H](Cl)C[C@H](Cl)[C@H](Cl)CCCC(=O)O 169621992 QHTKGYPZKJWJFA-NDBYEHHHSA-N 366.156 5.641 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(CCl)cs2)cc1 587920656 LCSFUPXBGGLHTF-UHFFFAOYSA-N 374.292 5.611 50 1 FKGF Cc1cc(Cl)cc2c(CCCl)c(-c3c[nH]c4ccc(C#N)cc34)[nH]c12 587623691 LWANDGFBSSBPDE-UHFFFAOYSA-N 368.267 5.931 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)C[C@@]3(C)[C@H](O)C[C@H]21 238742913 YJHVGMSCPWBUDS-CZRCWOFFSA-N 358.566 5.542 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C)cc1C)CC2=O 587461109 WWWMCYPNIXJKOU-NRFANRHFSA-N 358.865 5.061 50 1 FKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CCl)C2(C)C 587462392 YXFDQTGZPJGCDP-UBWHGVKJSA-N 362.897 5.114 50 1 FKGF C[C@@H]1CC[C@@H]([C@@H](C)COCc2ccccc2)[C@@]23C=C[C@@](C)(CC[C@@H]12)OO3 43683135 ZHLFXAFVMFKDPR-HXDKXCNLSA-N 356.506 5.311 50 1 FKGF CC(C)(Cl)[C@H](Br)CC/C(=C\CCl)CBr 73280608 QSLFLZNDSQCQSX-WHXYTISESA-N 366.952 5.108 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(SC#N)c2c1 587639826 DELSVESMIJPFGL-LBPRGKRZSA-N 374.431 6.940 50 1 FKGF Cc1c(F)ccc2c1[C@]1(CCCCCCCCCC[C@@H]1Cl)NCC2 962094447 SPBRLJGOKIDAHN-PZJWPPBQSA-N 351.937 5.997 50 1 FKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@H](CC(C)(C)N=C=S)[C@@H]3C(=C)CC[C@H]1[C@H]32 53655966 HEVMYYRAJZZCPU-HCIXZRCRSA-N 356.579 6.200 50 1 FKGF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCCCCl 587209033 GIQRXAJBLCDXGG-UHFFFAOYSA-N 353.849 5.017 50 1 FKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587325970 IWLXUYQKLVHDOZ-CTNGQTDRSA-N 374.839 5.058 50 1 FKGF C[C@]1(Cl)C[C@](C)(Br)[C@@H](/C=C/Cl)C[C@H]1Br 1654733 FMMSUHFXIOENCO-QICLPRRKSA-N 364.936 5.064 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587188420 RYKKWWYRDVRNMC-DEDYPNTBSA-N 365.436 5.515 50 1 FKGF C/C(=C\CBr)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 49757034 KQYUEKLNYFZILD-PFIWFTBQSA-N 359.436 7.767 50 1 FKGF C[C@H](CCCCCCc1ccccc1)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@H]2OO1 85775873 BJCREQAAFOADRC-KPUOSGPGSA-N 374.521 5.391 50 1 FKGF biogenic Cc1ccc(/C=C(/C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587188157 PBMKBEIJWLDJNO-AQTBWJFISA-N 367.477 6.087 50 1 FKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@H](Cl)C[C@H]1Cl 2356560542 UJTXKWHTNURSMJ-IMSYWVGJSA-N 354.930 5.126 50 1 FKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356608369 MRRHNAZUVJWYGY-UDGWLPKNSA-N 368.558 6.155 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 299808041 GMAAJLJNAMIUSD-GWOFKNCZSA-N 368.558 5.998 50 1 FKGF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586914569 WMJTXIADAJXRQR-ZWNOBZJWSA-N 356.360 5.893 50 1 FKGF Fc1cc(Br)ccc1-c1[nH]c2cccc(F)c2c1CCl 587634614 MNWOTTPEOUNXTJ-UHFFFAOYSA-N 356.597 5.614 50 1 FKGF C[C@H](/C=C/c1ccccc1)C/C=C/[C@H](C)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 85552762 OLZRJIILBGYRMH-XYJBWDBBSA-N 372.505 5.652 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc3ccccc3cc2[nH]1 586974778 ZPRKZCBMOACRME-CYBMUJFWSA-N 365.274 5.763 50 1 FKGF COc1cccc(-c2cc([C@@H](Cl)C(C)=O)nc3c2oc2ccccc23)c1 587357328 GQMQNEMGNYSRNL-IBGZPJMESA-N 365.816 5.526 50 1 FKGF O=C(O)c1cccc2c(-c3cccc(Br)c3)c(CCl)[nH]c12 587636861 MOVHMYPBZWKLEI-UHFFFAOYSA-N 364.626 5.034 50 1 FKGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)c1ccccn1 1857621306 JMSUJLTWOPPDOE-XNTDXEJSSA-N 367.235 6.245 50 1 FKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356464569 OLZRJIILBGYRMH-BZRIBIQUSA-N 372.505 5.652 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=CCN=C(Cl)Cl)C[C@H](O)[C@H]1Cl 2356791116 GKSLIBXQJIEVJU-SQWLQELKSA-N 352.733 5.261 50 1 FKGF CC1=CC[C@@H](Br)C(C)(C)[C@@]12CCC(C)=C(Br)C2 2356793224 KITUCYHXYPLPSR-UKRRQHHQSA-N 362.149 5.965 50 1 FKGF O=[P@](Nc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl 6575452 ZETCJHOQMBKILQ-HSZRJFAPSA-N 373.220 5.065 50 1 FKGF CC(=O)N[C@@H](CCCC#CC=CCl)CCCCCCC(Cl)Cl 2356527455 ARWYVRRMHQNULF-INIZCTEOSA-N 366.760 5.562 50 1 FKGF C/C(N)=C(\C#N)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923164 RZIYRRWDRDBGSY-VBKFSLOCSA-N 374.444 5.311 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C)[C@@H]1C[C@H](Br)C2=O 13823514 GSOJBPSBUAABDR-HKQXQEGQSA-N 351.328 5.282 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)ccc1C)([C@@H](C)Cl)CC2=O 587459379 OQLIPMTZZUYHCG-IVZQSRNASA-N 372.892 5.450 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)c(C(F)(F)F)c1 587914132 ZPZNZNFSRGOJDA-UHFFFAOYSA-N 367.779 5.502 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)ccc1N=C=S 587914078 WIFQCVYLUUUIKY-UHFFFAOYSA-N 367.779 5.502 50 1 FKGF CC(=CC[C@@H](Br)C(C)(C)Cl)[C@H](Cl)CBr 2356328012 MWVIFUOYXAVDRG-RKDXNWHRSA-N 366.952 5.106 50 1 FKGF O=C1C[C@H](c2ccc(OCCCCl)cc2)Oc2c1ccc1c2CCCC1 587497787 KXNJJBRVCHSMLM-OAQYLSRUSA-N 370.876 5.280 50 1 FKGF CC(C)c1ccc(Oc2c(CCl)[nH]c3ccc(F)c(Cl)c23)cc1 587628126 ISHLNRYRFLWDGW-UHFFFAOYSA-N 352.236 6.615 50 1 FKGF CC1=C(C#N)C(=C(C#N)C#N)O[C@]1(C)c1ccc(Cl)c(Cl)c1Cl 73159060 OIYJHRIBRIFELV-INIZCTEOSA-N 364.619 5.034 50 1 FKGF C[C@@]1(/C=C/Br)C[C@](C)(Cl)[C@H](Cl)C[C@@H]1Br 85855429 IRLVZQNJQWALFU-VQIRCWNTSA-N 364.936 5.064 50 1 FKGF C=C(CCC=C(C)CC[C@@H]1OC1(C)C)[C@@H](Cl)CN=C(Cl)Cl 2356466771 SGSUCMPCVPXNFI-KBPBESRZSA-N 352.733 5.668 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587188204 PMWFTTDJXYGMPE-ZROIWOOFSA-N 352.235 5.006 50 1 FKGF N#C/C(=C\c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)c1ccncc1 1857621378 IEJQDWVNYDYWHH-MHWRWJLKSA-N 367.235 6.245 50 1 FKGF CO[C@H]1O[C@]2(c3ccc(-c4ccccc4)cc3)CC[C@H]3CCCC[C@]13OO2 38153511 DESRHEDRYODNTQ-CWKRKGSWSA-N 366.457 5.180 50 1 FKGF CCCCCCCCOC(=O)c1cc2cc(CCl)ccc2oc1=O 43284783 QBIUXXRPYQBUDC-UHFFFAOYSA-N 350.842 5.049 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587187884 MJDASQLDIUYPEE-IZZDOVSWSA-N 358.626 5.043 50 1 FKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCl)(c2ccc(C)cc2)N1 962949063 PARSGYCSCDCETH-VGSWGCGISA-N 352.909 5.273 50 1 FKGF CC(C)c1ccc(Nc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1 2382241722 VTNYMCHCGSUTAB-UHFFFAOYSA-N 367.232 5.448 50 1 FKGF CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586912782 XIAFBZFJJKVULY-QMMMGPOBSA-N 356.316 5.029 50 1 FKGF O=C(Cl)/C=C/c1ccc(/C=C/C(=O)c2coc3ccc(Cl)cc23)cc1 587276723 SGCWRADUVRBQHA-YLDLMLGBSA-N 371.219 5.761 50 1 FKGF O=C1C[C@@](CCl)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587497261 IDDYVQOHSBUYEW-HXUWFJFHSA-N 361.268 5.318 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCl)c2c1 587639532 YZTCACMZNXVNNU-OAHLLOKOSA-N 353.937 7.385 50 1 FKGF C=C[C@@]1(C)[C@H](Cl)C[C@H]2[C@H](c3c[nH]c4cccc(c34)C2(C)C)[C@H]1N=C=S 34239068 HYTBZXQKYMTBRU-DJNKVENRSA-N 370.949 5.834 50 3 FKGF COc1ccc(/C=C/CSSC/C=C/c2ccc(OC)cc2)cc1 28383547 XHVWIZVRLDELBK-GGWOSOGESA-N 358.528 5.812 50 1 FKGF CC/C=C/[C@@H](CC)C/C(C)=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42877081 BUJRRZDBOYIMBT-MSFQRKHCSA-N 366.542 5.774 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 104044519 KURLKPUIPZNZAA-VGSWGCGISA-N 374.871 6.065 50 1 FKGF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960785 BPQIXYNWUQKBST-RKDXNWHRSA-N 354.344 5.378 50 1 FKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C 20677677 HIMGGOAWHLVJPT-RGVLZGJSSA-N 372.497 5.574 50 1 FKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629838 KHFMDJSSOTZLTN-UHFFFAOYSA-N 370.758 6.219 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587188421 RYKKWWYRDVRNMC-MOSHPQCFSA-N 365.436 5.515 50 1 FKGF C/C(=C\C[C@@H](Br)/C(C)=C/C(Cl)Cl)CBr 85951805 DFVMAXZBJUPYKZ-YYFYVTMESA-N 364.936 5.231 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 2356825467 HSLUDOOKUCRWPK-NJYSJTHYSA-N 354.531 5.464 50 1 FKGF CCc1c(CCl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587358133 PBOOGLZTNLLBQD-UHFFFAOYSA-N 351.833 5.958 50 1 FKGF O=C1c2ccccc2-c2c(C3CC3)c(CBr)nc3cccc1c23 587102084 PJFIMICUBZZSCW-UHFFFAOYSA-N 364.242 5.219 50 1 FKGF O=C1c2ccccc2-c2cc(-c3cc(CCl)cs3)nc3cccc1c23 587208589 CDCMZRFRRMZOSX-UHFFFAOYSA-N 361.853 5.914 50 1 FKGF C=C(c1ccc2c(c1)CCCC2)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 44181499 CIFGOQIDRJJWHG-MAAZUEHGSA-N 366.501 5.078 50 1 FKGF COc1cccc(-c2c(C)c(CCCl)nc3c2oc2ccccc23)c1 587358676 SOPJVQAAWBQZGS-UHFFFAOYSA-N 351.833 5.746 50 1 FKGF Fc1ccccc1[C@]1(CCCCl)NCCc2c(Cl)cc(Cl)cc21 963105491 JXMNKPMPMPRCMY-SFHVURJKSA-N 372.698 5.541 50 1 FKGF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356331880 UMRURYMAPMZKQO-IMYIRDKQSA-N 362.941 5.187 50 1 FKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 2356464572 OLZRJIILBGYRMH-ZZTDLJEGSA-N 372.505 5.652 50 1 FKGF CC1(C)[C@@H](Cl)[C@H](O)C[C@]2(C)C=C(/C=C/N=C(Cl)Cl)CC[C@@H]12 38542991 UGFPVWDJDIORFX-OWXJXJPQSA-N 350.717 5.075 50 1 FKGF CCCCC[C@H](Cl)[C@@H](Cl)C[C@@H](Cl)[C@@H](Cl)CCCC(=O)O 231930277 QHTKGYPZKJWJFA-ZDEQEGDKSA-N 366.156 5.641 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(C)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356336693 PVDHZAKYWJYCOD-ZFORQUDYSA-N 356.547 5.688 50 1 FKGF Fc1ccc2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1Cl 587627878 CAAUHFDEFQHYFI-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCCl)cc1 587644873 PHJDHBBMRUAQPL-UHFFFAOYSA-N 356.853 5.822 50 1 FKGF Cc1c(F)ccc2c1[C@@]1(CCCCCCCCCC[C@H]1Cl)NCC2 962094440 SPBRLJGOKIDAHN-CTNGQTDRSA-N 351.937 5.997 50 1 FKGF CC(C)=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356573271 HSJVZKCDRVNGSG-XZIFBPPASA-N 370.577 6.621 50 1 FKGF CCCCCCCCCC[C@H](O)OO[C@@H](O)CCCCCCCCCC 85853156 VEYILLKIIREXIX-FGZHOGPDSA-N 374.606 6.633 50 1 FKGF biogenic CCCCC[C@@H](C=CC=CCC=CC=C[C@@H](CCCC(=O)O)OO)OO 2356745666 PCIOUQYHTPPZEM-OALUTQOASA-N 368.470 5.153 50 1 FKGF CO[C@@]1(C)OC[C@@]2(C)O[C@H](C)[C@@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 195480805 IUOBFSFZOAAPND-UEDWAMCQSA-N 372.622 5.124 50 1 FKGF O=C1C[C@@](c2ccccc2)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587498195 MJAKWPHULCLLMG-HXUWFJFHSA-N 361.268 5.230 50 1 FKGF Oc1ccc2c(c1)[C@H](c1cc(F)cc(S(F)(F)(F)(F)F)c1)NCC2 963341954 PAFLQWMTAFHNHG-HNNXBMFYSA-N 369.330 5.424 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CBr)c(Oc3ccccc3)c2c1 587639032 MQPIBBZCRLRQAY-ZDUSSCGKSA-N 358.279 6.369 50 1 FKGF C=C1CC[C@H]2[C@@H]3[C@@H]1[C@H](CC(C)(C)N=C=S)C[C@H](C)[C@H]3CC[C@]2(C)C#N 40893967 UAMLJAIZEUCBHU-UGLWPLIBSA-N 356.579 6.052 50 1 FKGF CCCCCCCCC/C=C\CCCCCCC[P@@](=O)(F)OCC 44386609 VYZPCTVFYQGPIG-UMHMGIAYSA-N 362.510 8.223 50 1 FKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)cs2)N1 587844467 AQUJYNBWYFYBDU-AYVTZFPOSA-N 374.706 5.012 50 1 FKGF N#C/C=C/c1ccc(Nc2ccc(F)c(Nc3ccc(C#N)cc3)n2)cc1 213677931 DIEBEPOIKZZCIG-OWOJBTEDSA-N 355.376 5.116 50 1 FKGF O=C1C[C@@](CCCl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505652 POJVIJLXCAGMNG-NRFANRHFSA-N 358.840 5.194 50 1 FKGF C[C@H](CCCCCC[C@H](O)CCCCCCCSC#N)CSC#N 86050498 YLYGPNWVFLIQJO-RTBURBONSA-N 370.628 6.093 50 1 FKGF biogenic C=C(c1ccc(SC)s1)N(C(=O)CCl)c1c(C)cccc1C 103198455 GIPBSQYENZUUIY-UHFFFAOYSA-N 351.924 5.330 50 1 FKGF CC(C)[C@@H]1CC=C[C@]23O[C@]4(C)CCC[C@@](C)(CC[C@]12CBr)[C@@H]43 140389905 NPXDPJPRWUSNNP-YDRVBMSGSA-N 367.371 5.728 50 1 FKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1 299864591 MOLDUBUZCUVFJZ-NBVRZTHBSA-N 372.516 5.771 50 1 FKGF CC1(C)C(Br)=C[C@H](Cl)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356413127 ODQMAXOZRZQEKI-HZZBMVKVSA-N 368.142 5.238 50 1 FKGF CCCC[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356473561 JHXUIUBDCUTACR-YIUJWAEMSA-N 370.574 6.379 50 1 FKGF O=[N+]([O-])c1cccc2[nH]c(CCl)c(-c3ccc(Br)cc3)c12 587643705 IRCQAOIIVXBQDU-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 38424866 BVIVTYBJKPGGII-DEDYPNTBSA-N 363.420 5.167 50 1 FKGF CC1=C(OCCCCCCCCCCBr)[C@H](C)SC1=O 28339163 MNORWBLKPFKWTP-AWEZNQCLSA-N 363.361 5.455 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(C(C)(C)C)cc1)O2 587373832 TWPGFFCYNNZLKD-QFIPXVFZSA-N 371.908 5.364 50 1 FKGF CC(=CCc1ccccc1)C=C(C)C[C@]1(C)C[C@H](C)[C@H](CC(=O)O)OO1 2356791924 JDLNMKROCJCAGS-RCZSKKKRSA-N 358.478 5.102 50 1 FKGF N#Cc1cc(F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587158564 OGZQKZVWEHRPFE-UHFFFAOYSA-N 363.286 5.898 50 1 FKGF CC[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419058 WKDXTJXWVVHJMR-PFDOBSCMSA-N 370.876 5.090 50 1 FKGF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(CCCl)c12 587633020 WJWPRKWXXDSYPA-UHFFFAOYSA-N 352.634 5.518 50 1 FKGF CCC=CCC=CC[C@H](C=CC=CC=CCCC=CCCC(=O)O)OO 2356340481 QEAQJVYOZNBPLR-OAQYLSRUSA-N 360.494 6.017 50 1 FKGF COc1cccc(-c2cc(C(Cl)Cl)nc3c2oc2ccccc23)c1 587357838 NAKBAYWJEMJATE-UHFFFAOYSA-N 358.224 6.133 50 1 FKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)cs2)N1 587844466 AQUJYNBWYFYBDU-ANRSDYALSA-N 374.706 5.012 50 1 FKGF CC(=CCc1ccccc1)C=C(C)C[C@]1(C)C[C@@H](C)[C@H](CC(=O)O)OO1 2356791923 JDLNMKROCJCAGS-KAGYGMCKSA-N 358.478 5.102 50 1 FKGF CC/C=C/[C@@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169361795 BHBZTOVSDRPRQX-KFOVHQGUSA-N 366.542 5.774 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccccc1)CC2=O 587461693 SFBBLGLILHYZLG-NRFANRHFSA-N 358.865 5.224 50 1 FKGF C[C@]12CC[C@H]3[C@@H](C=C(C#N)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1857649857 SZVXNSISQOXWRA-JQQKJWEXSA-N 374.528 5.148 50 1 FKGF C=C(Cl)[C@](Cl)(CBr)CC[C@@H](Cl)C(C)(C)Cl 1856129 MCVCWSYWDGWKFL-PSASIEDQSA-N 356.946 5.516 50 1 FKGF O=CC1=CC=C(c2ccc3ccccc3c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 40973596 ISFQWKYAOAAXRG-QHCPKHFHSA-N 355.393 5.444 50 1 FKGF c1c2c(cc3c1SSc1cc4c(cc1SS3)OCO4)OCO2 299870919 XEMAHLKWZLGREA-UHFFFAOYSA-N 368.482 5.056 50 1 FKGF CC(C)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356617759 QAPDDLVCXDEXCQ-XGAJZPNHSA-N 366.501 5.219 50 1 FKGF C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 20157884 DZXGDLAKZTXDBZ-MJEARJAWSA-N 368.908 5.281 50 1 FKGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3ccc(Cl)cc3)n2)cc1 169348993 HRYXGKIFBIJWHU-QGZVFWFLSA-N 355.228 5.073 50 1 FKGF CCCc1ccc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587460472 MUGJWZWTIHUGJQ-QFIPXVFZSA-N 372.892 5.397 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCCl)cc1 587644664 KDGWKVRBPTWFSI-UHFFFAOYSA-N 356.853 5.822 50 1 FKGF C=C1CC[C@]2(C)C(CC[C@](C)(O)[C@H](O)CCl)=C(C)CC[C@@H]2C1(C)C 2356351826 GNPJSHXMYAHCJO-UKAVVXHISA-N 354.962 5.226 50 1 FKGF CCCCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 85666219 IYJCYRWWXCDKEB-UYAOXDASSA-N 356.503 5.090 50 1 FKGF biogenic CC(=O)OOC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238735301 FJOYMCJYEZOBCF-REYVGQHQSA-N 354.575 6.867 50 1 FKGF CN(C)c1ncccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587195531 ITUULWYCUWLPMO-UHFFFAOYSA-N 364.343 5.348 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(OC(F)F)c(CCl)c1 587915847 XNTDLLXHIURLPY-UHFFFAOYSA-N 357.183 5.089 50 1 FKGF CC(C)=CCC[C@@]1(C)CC(=C(Cl)CN=C(Cl)Cl)CC[C@@H]1Cl 2356313422 YNLMPMANZLWOOZ-HOCLYGCPSA-N 371.179 6.857 50 1 FKGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(N=C=S)[C@@H]4CC[C@H]([C@@H]2[C@@H]34)[C@@]1(C)C#N 2356373053 QQXBCHYMIFYUTP-OTHMVBOZSA-N 356.579 5.742 50 1 FKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1 38145385 OJGCVEPSOPWGAA-DYTRJAOYSA-N 359.454 5.004 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@](C=CC(=O)O)(CC)OO1 2356808051 YKBBPPFTBWBIRE-FMWKFLBASA-N 352.515 5.685 50 1 FKGF CCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 42890364 CTJMAVYRZQIMIB-KNTRCKAVSA-N 365.521 5.640 50 1 FKGF C[C@]1(/C=C/Cl)C[C@](Cl)(CBr)[C@@H](Cl)C[C@@H]1Cl 105426590 UJTXKWHTNURSMJ-JSNNBIRLSA-N 354.930 5.126 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@]43C)[C@@H]1C[C@@H](Br)C2=O 253633514 GSOJBPSBUAABDR-PVLOSAQSSA-N 351.328 5.282 50 1 FKGF CC(C=C[C@@H](Cl)[C@](C)(Cl)C=CBr)=CBr 2356748102 UWZOIUBBJJHQJC-NXEZZACHSA-N 362.920 5.355 50 1 FKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CCl)CC[C@]4(C)[C@H]3CC[C@]12C 13760822 MOOITKDCFXXSDO-HMWSDPSDSA-N 366.973 5.204 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=CCN=C(Cl)Cl)C[C@@H](O)[C@@H]1Cl 2356791114 GKSLIBXQJIEVJU-IJEWVQPXSA-N 352.733 5.261 50 1 FKGF CCCCC[C@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)CCCC(=O)O 169621989 QHTKGYPZKJWJFA-LOWDOPEQSA-N 366.156 5.641 50 1 FKGF CCn1c(C)c2c(c1C)SSc1c(c(C)n(CC)c1C)SS2 299870852 WXSUJQYOPXICGH-UHFFFAOYSA-N 370.634 6.475 50 1 FKGF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCCl)C[C@@H]12 28655098 UJIAGFCUOXBDAD-UIVXOMHLSA-N 366.973 5.204 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(C)cc1)CC2=O 587458664 DTLWODVKGQFDTP-NRFANRHFSA-N 358.865 5.143 50 1 FKGF Cl[C@@H]1c2ccccc2[C@]2(c3ccccc3)OO[C@@]1(c1ccccc1)O2 195515736 OOWNMAQQRZZARS-QHAWAJNXSA-N 350.801 5.013 50 1 FKGF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 39009323 OOTTXHPHVJPZLE-QKMNUUQDSA-N 369.387 5.876 50 1 FKGF biogenic C=C(Br)[C@](Br)(CCl)CC[C@@H](Cl)C(C)C 73370144 TXSWJODTCRJFLS-NXEZZACHSA-N 366.952 5.311 50 1 FKGF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C(C=O)[C@@]3(CC[C@@H]21)C4 84688719 GPFKGONTDXBBIK-XPPCDGJZSA-N 358.522 5.088 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCCl)c2c1 587638232 DMVGBYCQJBTYJQ-AWEZNQCLSA-N 354.881 5.916 50 1 FKGF CC(C)[C@@H]1CC[C@]2(C)CCC=C(C=O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356617756 QAPDDLVCXDEXCQ-BIHRQFPBSA-N 366.501 5.219 50 1 FKGF COc1ccc(/C(C#N)=C/c2cc(OC(C)C)cc(OC(C)C)c2)cc1 96931892 PELFCKMUJNGXQN-VXLYETTFSA-N 351.446 5.334 50 1 FKGF Clc1ccc(-c2nc3cccc4c3c(c2CCBr)CC4)cc1 587208726 YCCLFAXKBDAJQP-UHFFFAOYSA-N 372.693 5.591 50 1 FKGF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC[P@@](=O)(F)OC 685933083 KWKZCGMJGHHOKJ-HKRFHWAKSA-N 370.489 7.941 50 1 FKGF in-vivo CC1=C[C@@H]2[C@H](CC1)[C@](C)(C#N)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 2356588906 MDHXTRAQAIWATJ-UNUXFHLRSA-N 372.578 5.718 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)NC 2356855257 RBKFYCJWOLRTGL-PLQJBLPLSA-N 360.611 5.501 50 1 FKGF CCCCC[C@@H](Cl)[C@H](Cl)C[C@H](Cl)[C@H](Cl)CCCC(=O)O 169621990 QHTKGYPZKJWJFA-LPWJVIDDSA-N 366.156 5.641 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCBr)c2c1 587640537 FJQYEHLSOCBQGB-CYBMUJFWSA-N 374.297 6.425 50 1 FKGF C[C@H]1CCc2nc(SSc3nc4c(s3)C[C@H](C)CC4)sc2C1 1772640981 MAJQWXKTTZDMIQ-AOOOYVTPSA-N 368.618 5.649 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCl)cc1 587628983 XCRJXFJGYUXZFA-UHFFFAOYSA-N 350.264 6.664 50 1 FKGF CC1(C)[C@H](Cl)[C@H](O)C[C@@]2(C)CC(C=CN=C(Cl)Cl)=CC[C@H]12 2356608255 JOJUODIBULSKBG-BRXULGCHSA-N 350.717 5.075 50 1 FKGF CCCOc1cc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)ccc1Cl 103286572 CMSZVFAXAJXNQJ-RZIFZGNASA-N 372.336 5.297 50 1 FKGF CC/C=C/[C@@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169370236 LXNOXMXZWPALFI-WOPADBLNSA-N 352.515 5.685 50 1 FKGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3cccc(Cl)c3)n2)cc1 169348986 RBTQEIIRCWHEQI-KRWDZBQOSA-N 355.228 5.073 50 1 FKGF C[C@@H]1CCc2nc(SSc3nc4c(s3)C[C@H](C)CC4)sc2C1 1772640982 MAJQWXKTTZDMIQ-NXEZZACHSA-N 368.618 5.649 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 2356671055 LXNOXMXZWPALFI-NEOGFGCTSA-N 352.515 5.685 50 1 FKGF CC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356807493 XVBFWNDVKMZFNW-MFPFFRNPSA-N 354.531 5.464 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cnc3ccccc3c2[nH]1 586973794 OQILIPGFECWDNI-GFCCVEGCSA-N 366.262 5.158 50 1 FKGF O=CC1=Cc2cc(S(F)(F)(F)(F)F)ccc2O[C@@H]1C(F)(F)F 1772650667 AEVMGUZAIYUSQZ-JTQLQIEISA-N 354.218 5.250 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356529736 QRDHVGGKSGYWJG-SPNOPHAYSA-N 368.558 5.854 50 1 FKGF Cc1cc(Cl)cc2c(CCl)c(-c3ccc(Br)cc3)[nH]c12 587623726 MXRRFIWAAZRFOY-UHFFFAOYSA-N 369.089 6.298 50 1 FKGF COc1ccc(C[S@](=O)CC=CSSCc2ccccc2)cc1 1857623580 LGSDLQZKSBEESJ-HSZRJFAPSA-N 364.557 5.039 50 1 FKGF CCCC[C@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 42875335 GMAAJLJNAMIUSD-YSNWRPKNSA-N 368.558 5.998 50 1 FKGF COc1cc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(Cl)c1O 103523788 MYKPNQXHDBRWCQ-QGZVFWFLSA-N 372.852 5.022 50 1 FKGF N#CCc1c(SSc2[nH]c3ccccc3c2CC#N)[nH]c2ccccc12 13734650 WRQVNXDOWPRYHH-UHFFFAOYSA-N 374.494 5.581 50 1 FKGF O=C1C[C@](CCl)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587497260 IDDYVQOHSBUYEW-FQEVSTJZSA-N 361.268 5.318 50 1 FKGF O=C(O)c1ccc(NCCCCCCCCCCCBr)cc1 29216595 QSRDLPWHRSJBOQ-UHFFFAOYSA-N 370.331 5.703 50 1 FKGF CCCCC/C=C\C[C@@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)OO)OO 102185566 FZVYTGLHRWEILG-CTOJTRLNSA-N 368.470 5.153 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(C)c1)([C@H](C)Cl)CC2=O 587458112 GLQMPLIRRHJKKZ-NYHFZMIOSA-N 372.892 5.450 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(Cl)s1 963228715 MPWDKKZNDGXGML-UGSOOPFHSA-N 354.346 5.541 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@H]1C=CCC=CCC=CCCCC(=O)OC 2356430826 RQOGDHBYTJYMHH-RVDAZCDBSA-N 366.929 5.199 50 1 FKGF CC(=CCO[Si](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356497897 CKZQZHKPLHXPCT-VXKWHMMOSA-N 368.722 8.223 50 1 FKGF CC(=NNC(N)=O)C1=CC[C@]2(C)[C@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 2356535751 IYDBAKSZTCQSKT-PMTGJVGFSA-N 369.553 5.310 50 1 FKGF CC/C=C/[C@H](CC)C/C(C)=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42877084 BUJRRZDBOYIMBT-WDTBTTAFSA-N 366.542 5.774 50 1 FKGF Cc1ccc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498347 NFGHKBSIANPMDV-JOCHJYFZSA-N 354.877 5.282 50 1 FKGF Cc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499269 SBVMMBUNFRRLMU-MWTRTKDXSA-N 368.904 5.670 50 1 FKGF CSc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1 587924831 LBGXVFMKXFJUTD-HYZSBJHASA-N 360.507 6.152 50 1 FKGF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586914564 WMJTXIADAJXRQR-GWCFXTLKSA-N 356.360 5.893 50 1 FKGF N[C@H](c1ccsc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587025574 OOLYSCXVWHVBCE-LLVKDONJSA-N 355.357 5.330 50 1 FKGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@@H]1COC2(CCCCC2)OO1 43356616 PFFOFGDYRXZZMP-VXKWHMMOSA-N 368.473 5.217 50 1 FKGF CCCCCCCCCC[C@@H](O)OO[C@H](O)CCCCCCCCCC 85853145 VEYILLKIIREXIX-VXKWHMMOSA-N 374.606 6.633 50 1 FKGF biogenic CC[C@H](C)c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372481 LUOZUAGWVFRJDA-QKKBWIMNSA-N 357.881 5.190 50 1 FKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCCCC2)N1 587683936 ILFGXDWBANBMEC-GTNSWQLSSA-N 374.725 5.137 50 1 FKGF C[C@H]1CCc2nc(SSc3nc4c(s3)C[C@@H](C)CC4)sc2C1 1772640983 MAJQWXKTTZDMIQ-UWVGGRQHSA-N 368.618 5.649 50 1 FKGF COC(=O)C[C@H](C)CC[C@@]1(C)[C@@H]2C[C@H](OO)C=C(C)[C@@]2(C)CC[C@H]1C 2356607825 SQSOIDXJDSZGJH-FFVYZIDJSA-N 352.515 5.233 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356647485 ONPDZDNKLXUXLN-ZFORQUDYSA-N 354.531 5.765 50 1 FKGF C[C@]1(CCl)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587325996 JBMUENFWPQXLHS-NRSPTQNISA-N 374.839 5.058 50 1 FKGF Cc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499597 WDICXPQRLVJFGW-OYHNWAKOSA-N 354.877 5.362 50 1 FKGF N#CSCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 2382247922 BWAIMIIRLVMCMD-UHFFFAOYSA-N 366.555 5.992 50 1 FKGF O=[P@@](Nc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl 1628772 ZETCJHOQMBKILQ-QHCPKHFHSA-N 373.220 5.065 50 1 FKGF CCCC[C@@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44307610 PNXRNGKSFMKWQG-FIRLOTFOSA-N 356.547 5.989 50 1 FKGF C=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1COC2(CCCCC2)OO1 58598656 YPORXJMZHYBDKY-NRFANRHFSA-N 352.430 5.500 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 299860682 GYRKWFDTBLWQLV-QHCPKHFHSA-N 368.480 5.481 50 1 FKGF CSc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586973316 HKDWTEXFFBWOLN-NSHDSACASA-N 361.308 5.332 50 1 FKGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(=CCl)[C@@H](Cl)Br 2356786239 ZMUWHDFETXWZJR-AEJSXWLSSA-N 352.914 5.416 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1)CC 85644492 HGRUNRAUYWALHI-UDHIOZDLSA-N 366.542 6.076 50 1 FKGF CCOc1ccc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963103371 LCSSAEJQBVRGBS-QOEFQVSFSA-N 373.899 5.116 50 1 FKGF O=C(O)C1=Cc2cc(S(F)(F)(F)(F)F)ccc2O[C@H]1C(F)(F)F 1772598625 QVPDRFYJQHCIEB-SECBINFHSA-N 370.217 5.135 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@H]3C)C(C=O)=CC[C@@H]12 2356522282 BUCPXTDRLMUVPM-HHCYXIRXSA-N 366.545 6.002 50 1 FKGF Cc1ccc2c3c(c(CCCl)c(CCl)nc13)-c1ccccc1C2=O 586993773 OHKOEFFQVYGHTJ-UHFFFAOYSA-N 356.252 5.275 50 1 FKGF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@H](OO)C[C@@H]21 2356623194 SQMPESDKZQIIDS-BMOGTECYSA-N 350.499 5.153 50 1 FKGF C[C@H]1C[C@H]2C[C@@H](C)[C@H]3CC[C@](C)(N=C=S)[C@@H]4CC[C@H]([C@H]2[C@@H]34)[C@@]1(C)C#N 2356373052 QQXBCHYMIFYUTP-FOXDZRQKSA-N 356.579 5.742 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(O)CC(C)(C)CC2=N1 103543834 YSMHBYNJUMGSBM-KRWDZBQOSA-N 361.272 5.961 50 1 FKGF Nc1ccc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587252107 WFXNMQGMZDVGDX-FPYGCLRLSA-N 361.339 5.973 50 1 FKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCCl)(c2cccc(F)c2)N1 962946685 IGTDZTRNQBJSGK-VGSWGCGISA-N 370.899 5.494 50 1 FKGF C[C@]1(/C=C/Cl)C[C@](Cl)(CBr)[C@H](Cl)C[C@@H]1Cl 85982820 UJTXKWHTNURSMJ-MZXHXKKRSA-N 354.930 5.126 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCCl)c2c1 587638233 DMVGBYCQJBTYJQ-CQSZACIVSA-N 354.881 5.916 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(SC#N)c2c1 587639825 DELSVESMIJPFGL-GFCCVEGCSA-N 374.431 6.940 50 1 FKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C(Cl)Cl)C(C)(C)CCC1 1857654887 NWWAQIKCANAFJE-YCNIQYBTSA-N 367.360 6.891 50 1 FKGF CC1(C)[C@H](Cl)[C@@H](O)C[C@@]2(C)CC(C=CN=C(Cl)Cl)=CC[C@H]12 2356608258 JOJUODIBULSKBG-VPWBDBDCSA-N 350.717 5.075 50 1 FKGF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](CCCCCl)Oc1ccccc1-3 27073937 YRVFOAARONPYKD-HXUWFJFHSA-N 367.920 6.804 50 1 FKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629604 DIIHQDHHPIVWCP-UHFFFAOYSA-N 370.758 6.219 50 1 FKGF C=C(c1ccc2ccc3ccccc3c2c1)[C@@H]1COC2(CCCCC2)OO1 44005790 VFUFIMNZDALDJY-QHCPKHFHSA-N 360.453 6.014 50 1 FKGF C[C@@H](CCCCC[C@H](O)CCCCCCCCSC#N)CSC#N 86050488 DSSMVYRJIQOAML-RBUKOAKNSA-N 370.628 6.093 50 1 FKGF biogenic C=C(Br)[C@@](Br)(CCl)CC[C@H](Cl)C(C)C 73370152 TXSWJODTCRJFLS-UWVGGRQHSA-N 366.952 5.311 50 1 FKGF Nc1ccc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587252106 WFXNMQGMZDVGDX-BAQGIRSFSA-N 361.339 5.973 50 1 FKGF CC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356807496 XVBFWNDVKMZFNW-ZFORQUDYSA-N 354.531 5.464 50 1 FKGF C[C@@]1(/C=C/Cl)C[C@@](Cl)(CBr)[C@H](Cl)C[C@@H]1Cl 85982831 UJTXKWHTNURSMJ-PPVMYRAKSA-N 354.930 5.126 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587187492 HNJMEZSDXVJBKC-ZSOIEALJSA-N 352.235 5.006 50 1 FKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587331426 QISHHJZPRFHQTL-SBHAEUEKSA-N 374.839 5.201 50 1 FKGF Cc1c([C@@H](C)Br)nc2cccc3c2c1-c1ccccc1C3=O 587102819 ZBUYBRSGWIYICG-LLVKDONJSA-N 352.231 5.211 50 1 FKGF CCCC[C@H](Cl)CCCC[C@@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1 2356623879 MONOMZXDURAAAV-CFLQYTFWSA-N 370.917 5.696 50 1 FKGF O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1cccc(Cl)c1 299824299 KXIWWRONQYMMPJ-WSDLNYQXSA-N 359.256 5.042 50 1 FKGF C[C@@]1(c2ccc(CCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497236 HVSPUVNJKMGWNI-QFIPXVFZSA-N 354.877 5.227 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1CBr 587898461 KQDLCQMCQAKCNK-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(CBr)c1 587898489 LDJOPRBMNVXWKO-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@@]2(C)[C@@H]2C=C(C=O)CCC2=C1C 2356306400 LZTOXTYBXBMRNN-SSGKUCQKSA-N 356.506 5.172 50 1 FKGF CCCOc1ccc(Cl)c(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)c1 103286659 MZXRGSFEFPDJNY-PPYMECGQSA-N 372.336 5.297 50 1 FKGF CN(CCC#N)c1ccc(C=C(C#N)c2cccc(C(F)(F)F)c2)cc1 1857741995 WERHYBQYOCWWJJ-UHFFFAOYSA-N 355.363 5.119 50 1 FKGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 113669179 YIUKSZMANNPCEV-GOSISDBHSA-N 367.235 5.365 50 1 FKGF CCCCC[C@H](C=CC=CC=C[C@H](CC=CCCCC(=O)O)OO)OO 2356342706 CXDIKCDVBUPCCG-RTBURBONSA-N 368.470 5.153 50 1 FKGF CC1=CC[C@H](Br)C(C)(C)[C@@]12CCC(C)=C(Br)C2 2356793222 KITUCYHXYPLPSR-DZGCQCFKSA-N 362.149 5.965 50 1 FKGF Fc1cc2c(C34CC5CC(CC(C5)C3)C4)c(CCl)[nH]c2cc1Cl 587628036 FQSNUGFHYQYBJF-UHFFFAOYSA-N 352.280 6.167 50 1 FKGF CCC=C[C@H](C=C(C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356479515 SRXLLJDSYPTQNE-XAPVIXHLSA-N 366.542 5.774 50 1 FKGF C[C@@H](CCCCCC[C@@H](O)CCCCCCCSC#N)CSC#N 86050501 YLYGPNWVFLIQJO-OALUTQOASA-N 370.628 6.093 50 1 FKGF biogenic CCCC[C@H](Cl)CCCC[C@H](C)[C@H](OC(C)=O)c1cc(O)cc(O)c1 2356623881 MONOMZXDURAAAV-VHFSOBRXSA-N 370.917 5.696 50 1 FKGF CCC(=O)Nc1ccccc1SSc1ccccc1NC(=O)CC 13813279 MHHQWJFQXYWSEG-UHFFFAOYSA-N 360.504 5.183 50 1 FKGF CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1C 587922903 YOEPEPOOEMOUOT-WQRHYEAKSA-N 365.477 5.842 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)CC[C@H]1Cl 2356313420 YNLMPMANZLWOOZ-GDBMZVCRSA-N 371.179 6.857 50 1 FKGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2 2356793223 KITUCYHXYPLPSR-HIFRSBDPSA-N 362.149 5.965 50 1 FKGF COc1cccc(-c2c(CCCl)c(C)nc3c2oc2ccccc23)c1 587357613 JIXDVKREVHCXHW-UHFFFAOYSA-N 351.833 5.746 50 1 FKGF COc1ccc2c3ccnc(C)c3n(CCCCCBr)c2c1 1857577642 HAZPSELVKBRTES-UHFFFAOYSA-N 361.283 5.072 50 1 FKGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2ccco2)n1 195183308 WGBVZOGHFHXRQZ-ZBFHGGJFSA-N 351.519 5.212 50 1 FKGF CCCCC[C@@H](/C=C/C=C/C=C/[C@H](C/C=C\CCCC(=O)O)OO)OO 231931413 CXDIKCDVBUPCCG-IEVBXOQPSA-N 368.470 5.153 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1 587639367 TUHZXMFREFNWRU-CYBMUJFWSA-N 355.865 5.858 50 1 FKGF Cc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499599 WDICXPQRLVJFGW-QRQCRPRQSA-N 354.877 5.362 50 1 FKGF C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)CCCl)c1 1857653922 DGJZPDFRHCKGLR-UHFFFAOYSA-N 356.849 5.051 50 1 FKGF C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC(C)=CC(=O)OC 2356469348 JPVCMCZIKWBOTI-VDNQQKDCSA-N 350.499 5.153 50 1 FKGF CC1=C[P@@](=O)(c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@H]1Cl 1658028 YKROHLMVDKALAU-HYBUGGRVSA-N 366.913 6.960 50 1 FKGF Clc1ccc(/C=C/CSSC/C=C/c2ccc(Cl)cc2)cc1 473121596 PXPPFGJRCRSPLK-ZPUQHVIOSA-N 367.366 7.101 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3c(F)cccc3Cl)c2c1 587640367 CMGVKUPREAZIJN-NSHDSACASA-N 350.264 6.880 50 1 FKGF CCc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103995223 ZXYRLMCXDOZQOO-GBXCKJPGSA-N 368.480 5.974 50 1 FKGF Cc1c(Br)cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1C 587187365 FOOUJYLRQQRGIO-RIYZIHGNSA-N 352.235 5.006 50 1 FKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)c1ccc(F)cc1)CC2=O 587466869 NSYNXFZBBTZDRP-PMACEKPBSA-N 362.828 5.188 50 1 FKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCCCC2)N1 587684519 KVYUMVVPPDXNNH-APPDUMDISA-N 374.725 5.137 50 1 FKGF C=C1CC[C@@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356433019 TZEMMCWTQQXORZ-UKRRQHHQSA-N 360.133 5.741 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356566983 BUJRRZDBOYIMBT-ITTUMRLJSA-N 366.542 5.774 50 1 FKGF OCCCCCC[C@H]1COOC2(CCCCCCCCCCC2)OO1 1857611316 MLMBVGRUFQDIMK-IBGZPJMESA-N 358.519 5.209 50 1 FKGF CC/C=C/[C@@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 44404884 BHBZTOVSDRPRQX-OXNYLIGCSA-N 366.542 5.774 50 1 FKGF C[C@@H](CCCCC[C@@H](O)CCCCCCCCSC#N)CSC#N 86050492 DSSMVYRJIQOAML-OALUTQOASA-N 370.628 6.093 50 1 FKGF biogenic CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(C)c1)([C@@H](C)Cl)CC2=O 587458110 GLQMPLIRRHJKKZ-IVZQSRNASA-N 372.892 5.450 50 1 FKGF CCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499390 SLENKWMZSVGPJF-HSZRJFAPSA-N 368.904 5.617 50 1 FKGF Cc1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587565440 IMPDUYYWNLWUGA-UHFFFAOYSA-N 364.339 6.108 50 1 FKGF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OSSO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 169292289 ZTQOUQGOZHUYNV-YDETXVTLSA-N 374.656 7.153 50 1 FKGF CC(C)[C@@H]1CC=C2C[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)C[C@H]2[C@H]1C 2356798581 SRJBAIOQMBORJG-BTPSSPMYSA-N 369.387 5.566 50 1 FKGF C=C[C@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Br 85855457 VHVSYKNPIGTGLL-WCBMZHEXSA-N 366.952 5.106 50 1 FKGF biogenic CCCC[C@@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169369797 PGURXSLSPSOJSS-DIJFTKHXSA-N 354.531 5.909 50 1 FKGF CC[C@H](O)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)[C@@H](CC)O[Si](C)(C)C(C)(C)C 2356475246 USHKFRYKZHJYQN-SAGLZJIZSA-N 374.638 5.104 50 1 FKGF C=C(Cl)[C@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Cl 1856131 MCVCWSYWDGWKFL-WCBMZHEXSA-N 356.946 5.516 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586974260 UGBSCFAEQMIZMD-MRVPVSSYSA-N 369.184 5.027 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H](Cl)CCl)nc2c1 587008988 UEPLYUFKEBDYPC-ZCFIWIBFSA-N 351.077 5.119 50 1 FKGF O=C(Cl)CCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279953 WEHIANOZLDWWCX-UHFFFAOYSA-N 351.786 5.020 50 1 FKGF C=C1CC[C@]2(C)[C@H](CC[C@]3(C)O[C@@](C)([C@@H](O)CCl)CC[C@H]32)C1(C)C 95909351 GPNFAFGDZIONCK-CYSNJDBQSA-N 354.962 5.323 50 1 FKGF biogenic,in-vitro Fc1ccc2[nH]c(CCl)c(-c3ccc(Br)cc3)c2c1Cl 587628367 MJVOAHJRWIBNOK-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@@]2(C)[C@H]2C=C(C=O)CCC2=C1C 2356306397 LZTOXTYBXBMRNN-KAOXLYBCSA-N 356.506 5.172 50 1 FKGF CC(=CC[C@@H](Br)C(C)=CC(Cl)Cl)CBr 2356450646 DFVMAXZBJUPYKZ-SECBINFHSA-N 364.936 5.231 50 1 FKGF BrC/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586974243 TXYHKMMEJGZJKN-ZZXKWVIFSA-N 370.275 5.248 50 1 FKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356608370 MRRHNAZUVJWYGY-YIUJWAEMSA-N 368.558 6.155 50 1 FKGF CCC(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)[C@H](CC)O[Si](C)(C)C(C)(C)C 2356744282 RNTPIUHADNCTHQ-VERUCKTNSA-N 372.622 5.312 50 1 FKGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(=CCl)[C@@H](Cl)Br 2356786240 ZMUWHDFETXWZJR-BBBLOLIVSA-N 352.914 5.416 50 1 FKGF Cc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 137583820 CSTGLINPPDZWSD-UHFFFAOYSA-N 367.452 5.489 50 1 FKGF O=C1C[C@](CCl)(c2cccc3cc[nH]c23)Oc2c1ccc1c2CCCC1 587499521 UUUNJOYLSSYWPI-QFIPXVFZSA-N 365.860 5.146 50 1 FKGF CC(=CCO[Si](C)(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356497896 CKZQZHKPLHXPCT-FGZHOGPDSA-N 368.722 8.223 50 1 FKGF C[C@]1(C=CCl)C[C@](Br)(CCl)[C@@H](Cl)C[C@@H]1Cl 2356520098 ZSUWZTFWKFTZOO-XKNYDFJKSA-N 354.930 5.126 50 1 FKGF CC(C)Oc1ccc(/C(=C(\C#N)c2ccccc2)c2ccc(O)cc2)cc1 13650273 XJVMJSDIQMKXBV-WCWDXBQESA-N 355.437 5.662 50 1 FKGF CCCCC[C@H](/C=C/C=C\C=C/[C@@H](C/C=C\CCCC(=O)O)OO)OO 102185589 CXDIKCDVBUPCCG-QFHCNSPZSA-N 368.470 5.153 50 1 FKGF O=C(Cl)/C=C\c1ccc(/C=C/C(=O)c2coc3ccc(Cl)cc23)cc1 587276720 SGCWRADUVRBQHA-QYEKGNEQSA-N 371.219 5.761 50 1 FKGF CCCCCCCCc1ccc(-c2[nH]c3cc(F)ccc3c2CCl)cc1 587632873 LTIWKVIKSRKSHG-UHFFFAOYSA-N 371.927 7.616 50 1 FKGF CCCC[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(C#N)=C(C(C)(C)C)O1 1857743866 NAYWXUUIJMFAFP-QFIPXVFZSA-N 373.493 5.342 50 1 FKGF N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2o1 40776238 FVFKGUKUSGJLJC-SDNWHVSQSA-N 357.325 5.060 50 1 FKGF O=C(Nc1cccc(-c2ccc(-c3ccccc3)cc2)c1)C(Cl)Cl 95564095 ZEYZYSKYEVOCHX-UHFFFAOYSA-N 356.252 5.763 50 1 FKGF CC/C=C\[C@H](CC)C/C(=C/[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 238789488 HGRUNRAUYWALHI-YMBWEKSDSA-N 366.542 6.076 50 1 FKGF C[C@@H](O)c1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587022732 WGMVTDKSFKDBQB-ZCFIWIBFSA-N 371.356 5.397 50 1 FKGF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H]2O[C@H]1NC=C2C=O 2356796284 NBDXDCAGBMWVRR-DNQXCXABSA-N 369.549 5.913 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(C=O)=CC[C@H]12 2356522284 BUCPXTDRLMUVPM-ZUXZLLPXSA-N 366.545 6.002 50 1 FKGF CC(=CCc1ccccc1)C=C(C)C[C@]1(C)C[C@@H](C)[C@@H](CC(=O)O)OO1 2356791925 JDLNMKROCJCAGS-SYYKKAFVSA-N 358.478 5.102 50 1 FKGF ClCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66066653 XEDWWXDHOPHYOY-UHFFFAOYSA-N 371.094 6.643 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(C)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356336692 PVDHZAKYWJYCOD-WXRGLTTHSA-N 356.547 5.688 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103996255 IQTFVIWVQFBBHE-XXBNENTESA-N 354.453 5.721 50 1 FKGF CC(C)=CCCC(C)=C[C@@H]1CC[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@H]12 2356662048 ZXWHFWJXLBFYEO-UTBUEMAESA-N 369.387 6.020 50 1 FKGF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)[C@@H](Br)CCC(=C)[C@@]2(O)C1 2356744573 SPJZQPJMDFSONI-WCIQWLHISA-N 365.355 5.716 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(OCC)cc1 963236294 XYEMTZWGWDNZTJ-VGSWGCGISA-N 357.925 5.224 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587187055 BFTZOUZZBVKSTP-FOWTUZBSSA-N 361.408 5.032 50 1 FKGF Cc1cc(Nc2cc(Cl)cc(S(F)(F)(F)(F)F)c2)nc(N)n1 1772643241 JIFKHYSWTJBNDF-UHFFFAOYSA-N 360.739 5.422 50 1 FKGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1ccccc1Cl 1857552534 KDMDRMHBKGQDHN-SFHVURJKSA-N 367.235 5.365 50 1 FKGF CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@]354)C[C@]2(C)CC1 2356739182 GZIOHXRVLOOKSP-XSBHQMGZSA-N 350.546 6.411 50 1 FKGF Cc1cc(Cl)cc2c(NC(=O)CCl)c(-c3ccc(Cl)cc3)[nH]c12 587623486 IGGCWRHSISPSAK-UHFFFAOYSA-N 367.663 5.627 50 1 FKGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587628690 SCPXQSBKTFSDEP-UHFFFAOYSA-N 351.208 5.195 50 1 FKGF CCC=CCC=CC=CCCCCCC[C@]1(C)C[C@@](C)(CC(=O)O)OO1 2356531807 AKYCDMCRAMMZSV-FGZHOGPDSA-N 364.526 6.140 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42852100 QMVLZUWXHPMLES-SPNOPHAYSA-N 370.574 6.078 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356550991 PSWZZBNSRFVMJA-VNYTWHDVSA-N 354.531 5.909 50 1 FKGF O=NCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 587191341 YPIHVOAFPBSOQV-UHFFFAOYSA-N 363.311 6.154 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(C)cc1C)CC2=O 587457884 CVSOMCWLNVQPKC-QFIPXVFZSA-N 372.892 5.369 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1857592024 VJVVANSJMRJZQO-SFHVURJKSA-N 362.772 5.246 50 1 FKGF CCC=CCC=CCC=CCCCCCCCC(=O)O[Si](C)(C)C 2356328642 DCFAEXKJEMZTKR-UHFFFAOYSA-N 350.619 6.954 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)ccc1C)([C@H](C)Cl)CC2=O 587459641 OQLIPMTZZUYHCG-NYHFZMIOSA-N 372.892 5.450 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Cl)s1)CC2=O 587493926 JGMQQYAXOJKOSY-KRWDZBQOSA-N 371.285 5.159 50 1 FKGF BrCCCCc1ccc(CCCCBr)s1 1772588166 ULAWTFVLPUIOJI-UHFFFAOYSA-N 354.151 5.183 50 1 FKGF CC1=C[C@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)N=C=S)O3)CC[C@@](C)(C#N)[C@H]2CC1 2356588907 MDHXTRAQAIWATJ-ZWZXKMJASA-N 372.578 5.718 50 1 FKGF CCC=C[C@H](CC)CCC[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356405175 JOIXERUBSWWODE-CTAFRAEOSA-N 354.531 5.608 50 1 FKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587503460 GYKRWGPNXDPKJR-OAQYLSRUSA-N 358.840 5.112 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@H]12 2356478778 RKNMPQSLAZUFIT-ZPOGUGMZSA-N 366.545 5.858 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587187293 DINNZWBFCXCRCF-WUXMJOGZSA-N 372.653 5.351 50 1 FKGF CCCC[C@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 169369795 PGURXSLSPSOJSS-FKPGQJDZSA-N 354.531 5.909 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@H]3C(C=O)=CC[C@@H]12 2356478776 RKNMPQSLAZUFIT-NTUKNIGUSA-N 366.545 5.858 50 1 FKGF CC(C)c1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(=N)[C@@H]2C#N)cc1 169688834 GJEFWNBDTHZBRB-OXQOHEQNSA-N 370.481 5.372 50 1 FKGF C[C@@]1([C@H](Br)CO)CC=C2[C@@H](CC[C@@H]3[C@]2(C)CC[C@H]2C[C@]23C)C1 238746401 IGLAYEXSNKYXCA-XQNZHQRGSA-N 367.371 5.321 50 1 FKGF O=C1c2ccccc2-c2cc(-c3ccc(CCCl)cc3)nc3cccc1c23 587103104 BOZVAXVOIPIPJI-UHFFFAOYSA-N 369.851 5.895 50 1 FKGF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587497252 HZKYUVBAEZHSKC-JOCHJYFZSA-N 370.876 5.193 50 1 FKGF C[C@@]1(/C=C/Cl)C[C@@](Br)(CCl)[C@H](Cl)C[C@@H]1Cl 140115941 ZSUWZTFWKFTZOO-PPVMYRAKSA-N 354.930 5.126 50 1 FKGF Cc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1 587146375 JXYGWGHNWRWULS-UHFFFAOYSA-N 352.303 6.335 50 1 FKGF CC[C@H](O)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)[C@H](CC)O[Si](C)(C)C(C)(C)C 2356475245 USHKFRYKZHJYQN-LLYLOPHFSA-N 374.638 5.104 50 1 FKGF C=CCc1cc(-c2cc(C[C@H](C)Br)ccc2O)ccc1OC 70463295 ZZVCORQGJBSHDI-ZDUSSCGKSA-N 361.279 5.122 50 1 FKGF CN(C)CCOc1ccc(/C(=C(\C#N)c2ccccc2)c2ccccc2)cc1 215491573 RVKOOUBCVRNCCL-OCOZRVBESA-N 368.480 5.110 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857589790 SGGKJQNZRVPQLT-SFHVURJKSA-N 362.772 5.246 50 1 FKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 100864088 KQRWFKXRJIUUEU-GVECDWHLSA-N 372.505 5.015 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(Cl)s1 963228713 MPWDKKZNDGXGML-FZKQIMNGSA-N 354.346 5.541 50 1 FKGF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NNc1ccccc1 2382227359 XDUMOMYBXWMIRT-HZJYTTRNSA-N 370.581 6.943 50 1 FKGF C=C1CC[C@@]2(C)C(CC[C@](C)(O)[C@@H](O)CCl)=C(C)CC[C@@H]2C1(C)C 95909352 GNPJSHXMYAHCJO-ZFMNYDKASA-N 354.962 5.226 50 1 FKGF biogenic,in-vitro Cc1ccc(/C=C(\C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587188160 PBMKBEIJWLDJNO-QGOAFFKASA-N 367.477 6.087 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356874493 YWMRTMZJBMOTAU-GPQLQYNLSA-N 368.558 5.998 50 1 FKGF CCCC[C@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42852096 QMVLZUWXHPMLES-QXQWVWGKSA-N 370.574 6.078 50 1 FKGF CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]12 137390399 YHDCEAQTLJKEIK-PURYDZRESA-N 368.561 6.082 50 1 FKGF O=C1c2ccccc2-c2cc(-c3cccc(CCl)c3)nc3ccc(O)c1c23 586984703 ATALTBFDNQAVOT-UHFFFAOYSA-N 371.823 5.558 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587188415 RUCHCBBZEVJPIQ-SFQUDFHCSA-N 366.424 5.310 50 1 FKGF COc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498109 LYSICJXQCUWJMG-JLCFBVMHSA-N 370.876 5.062 50 1 FKGF Cc1c(F)ccc2c1[C@@](CCCCCl)(c1ccc(Cl)cc1)NCC2 962376760 QMMQENBINSICHD-HXUWFJFHSA-N 366.307 5.586 50 1 FKGF C=C(Cl)C(=CBr)CC[C@@H](Br)C(C)(C)Cl 2356562708 AWTHGCZBYVEAJW-SECBINFHSA-N 364.936 5.579 50 1 FKGF C/C(=N\NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl 53297096 UEBUVRCEPHURFN-FSJBWODESA-N 372.255 5.692 50 1 FKGF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586914566 WMJTXIADAJXRQR-GXFFZTMASA-N 356.360 5.893 50 1 FKGF C#CCC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCCC1 586877606 GRBLIHCWAOYRNV-UHFFFAOYSA-N 364.383 6.446 50 1 FKGF Fc1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1Cl 587627952 CSBVDHKQGFAILW-UHFFFAOYSA-N 352.192 5.137 50 1 FKGF Fc1cccc2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c12 587632257 IGBIVOCGBGYDCP-UHFFFAOYSA-N 352.634 5.565 50 1 FKGF CC(=CC[C@@H](Br)C(C)(C)Cl)C(Cl)=CBr 2356449896 BUUZNDRSQGLKGO-SECBINFHSA-N 364.936 5.579 50 1 FKGF Oc1cccc([C@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586889861 HREKRJAZVFVMMN-ZDUSSCGKSA-N 366.311 5.008 50 1 FKGF C=C1C(CCCCCCCC)=C(C#N)C(=O)N1c1c(C)cc(C)cc1C 64417170 KXAQXDMIIHGUFH-UHFFFAOYSA-N 350.506 6.043 50 1 FKGF O=C1C[C@@](CCl)(c2cccc3cc[nH]c23)Oc2c1ccc1c2CCCC1 587499520 UUUNJOYLSSYWPI-JOCHJYFZSA-N 365.860 5.146 50 1 FKGF CC/C=C/[C@H](CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42834638 JOIXERUBSWWODE-HYGYFAHGSA-N 354.531 5.608 50 1 FKGF C=CCCCC/C=C/C#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C 238759316 UTCOKYQAKRDCSK-YVNCXZRQSA-N 364.602 5.636 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586900918 GQENAMCSEWVCID-UHFFFAOYSA-N 350.312 6.358 50 1 FKGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)CC4)-c1ccccc1C2=O 586992515 CLLMXNMYSDJQKQ-HNNXBMFYSA-N 364.242 5.137 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCCl)c2c1 587639519 YQZTVVCJOBUGND-MRXNPFEDSA-N 367.964 7.427 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1C[C@@H](CCCCl)[C@@H]2O 28655100 UJIAGFCUOXBDAD-OQJMNXIRSA-N 366.973 5.204 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356874494 YWMRTMZJBMOTAU-ITTUMRLJSA-N 368.558 5.998 50 1 FKGF Cc1cccc(C)c1NC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 28528797 YERZLKQYOKQVBL-UHFFFAOYSA-N 371.484 5.266 50 1 FKGF O=C1C[C@](c2ccccc2)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 587498183 MJAKWPHULCLLMG-FQEVSTJZSA-N 361.268 5.230 50 1 FKGF C=C[C@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl 1637286 OGRGXGGBTRUIDS-PSASIEDQSA-N 366.952 5.106 50 1 FKGF biogenic C=C(c1cccc2ccccc12)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552611 APLGENVCABEFBA-KNIUGUSGSA-N 362.469 5.352 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)c1ccc(F)cc1)CC2=O 587466875 NSYNXFZBBTZDRP-WOJBJXKFSA-N 362.828 5.188 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)CC 2356754488 HGRUNRAUYWALHI-RJJVWVDVSA-N 366.542 6.076 50 1 FKGF CCN(CC)c1ccc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1 104072729 XNGXUVISJAQYHY-OAQYLSRUSA-N 363.505 5.501 50 1 FKGF Cc1c([C@H](C)Br)nc2cccc3c2c1-c1ccccc1C3=O 587102820 ZBUYBRSGWIYICG-NSHDSACASA-N 352.231 5.211 50 1 FKGF CCCCCCCCC=CCCCCCCCCCC=CC(=O)C=CC=O 2356559031 VJJXCHFVMHBWFX-UHFFFAOYSA-N 374.609 7.685 50 1 FKGF COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O 2356635749 JMFNGSBVJBPGQR-UHFFFAOYSA-N 352.474 5.368 50 1 FKGF Cc1cc(=O)oc2cc(OCCCCCCCCBr)ccc12 1857771753 GFRARDVTUANCDM-UHFFFAOYSA-N 367.283 5.216 50 1 FKGF CC(C)CCCCCc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 27320562 RUTHDQJUJYQHAQ-LFVJCYFKSA-N 367.493 5.240 50 1 FKGF C=C(c1cccc2ccccc12)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552613 APLGENVCABEFBA-HHDYLNSBSA-N 362.469 5.352 50 1 FKGF CCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 85666225 IYJCYRWWXCDKEB-ICSRJNTNSA-N 356.503 5.090 50 1 FKGF biogenic C=C1CC[C@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356433020 TZEMMCWTQQXORZ-ZFWWWQNUSA-N 360.133 5.741 50 1 FKGF CCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356789516 DJWSWNSZGWYSGH-ZFORQUDYSA-N 356.547 5.688 50 1 FKGF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NC(=O)CCl)c3[C@@H](C1)C2 101279776 DAJXAQSGQWQMMX-RYUDHWBXSA-N 361.272 5.062 50 1 FKGF CCCCCCCCCC(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103186059 CIXNGAWSWRQOFC-UHFFFAOYSA-N 374.569 5.716 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587187292 DINNZWBFCXCRCF-SDQBBNPISA-N 372.653 5.351 50 1 FKGF Cc1ccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963121478 LNWJPGMKKFZYMF-GOSISDBHSA-N 354.708 5.238 50 1 FKGF Cc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499594 WDICXPQRLVJFGW-IVZQSRNASA-N 354.877 5.362 50 1 FKGF CC[C@H](O)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)[C@@H](CC)O[Si](C)(C)C(C)(C)C 2356475244 USHKFRYKZHJYQN-GHHWKCCRSA-N 374.638 5.104 50 1 FKGF Cc1ccc(C2OOC(c3ccc(CNc4ccccc4)cc3)OO2)cc1 72173615 RNICNISFDYVSPC-UHFFFAOYSA-N 363.413 5.215 50 1 FKGF COc1cc(/C=C\c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1 195296956 PDINJZXKDVUBFQ-HJWRWDBZSA-N 370.565 6.258 50 1 FKGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587087519 QZQXDNUVNMJKDX-VIFPVBQESA-N 373.575 5.419 50 1 FKGF COC(=O)C[C@H]1OO[C@](C)(C/C(C)=C/C(C)=C/Cc2ccccc2)C[C@H]1C 44431094 JWRNNTZFDDYDJM-XJGRTPCZSA-N 372.505 5.190 50 1 FKGF C=C1CC[C@]2(N=C=S)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H](CC(C)(C)NC=O)[C@H]1[C@H]32 84668521 KAIKLVFUIDYGPS-XQOOQLJESA-N 374.594 5.027 50 1 FKGF C=C[C@@]1(C)CC[C@@H]2C3=C1C=C(C#N)C(C)(C)c1[nH]c4cccc(c4c13)C2(C)C 2356473170 WBJRBYKJNBYZBT-QUGAMOGWSA-N 368.524 6.556 50 1 FKGF O=C1C[C@@](CCl)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587499346 SIAGIJWTCHTRSM-JOCHJYFZSA-N 365.860 5.146 50 1 FKGF CC1=C(CCCCCCCCCCCCCC[C@@H](C)O)C(=O)OC1=O 85858395 LQHWACDOMXJHRQ-QGZVFWFLSA-N 352.515 5.229 50 1 FKGF biogenic BrCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586972082 FVERKWQCVXRPHP-UHFFFAOYSA-N 361.308 5.432 50 1 FKGF C[C@H](CCC(=O)O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587963501 YOWGTQJIEGAILC-MRVPVSSYSA-N 358.332 5.264 50 1 FKGF CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC[P@@](=O)(F)OC 685933084 KWKZCGMJGHHOKJ-IYHMYGQRSA-N 370.489 7.941 50 1 FKGF in-vivo CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OO 96095660 BCEKIAHCCATNGN-MSTIVACSSA-N 350.499 5.773 50 1 FKGF in-vitro CCCCC[C@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)OO)OO 102185576 PCIOUQYHTPPZEM-XUSBQHJMSA-N 368.470 5.153 50 1 FKGF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCl)cc1 587621960 RDCANLWKIWQIKP-UHFFFAOYSA-N 374.669 5.521 50 1 FKGF C[C@@H]1CC[C@H]2CCO[C@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 195244252 KQRWFKXRJIUUEU-PJTLEZBXSA-N 372.505 5.015 50 1 FKGF Cc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Cl 586973484 KKGWSZOOMGGRNN-LLVKDONJSA-N 363.686 5.571 50 1 FKGF O=C1c2ccccc2-c2cc(-c3ccc(N=C=S)cc3)nc3cccc1c23 587208942 GZKNADFPSVOZOG-UHFFFAOYSA-N 364.429 5.848 50 1 FKGF CCCC[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356473559 JHXUIUBDCUTACR-SXFAUFNYSA-N 370.574 6.379 50 1 FKGF Cc1ccc(NC(=O)CCC2CCCCC2)cc1/C=C(\C#N)c1cccnc1 13757514 FWRQTZPEKIUTMG-HYARGMPZSA-N 373.500 5.753 50 1 FKGF S=C=N[C@H]1CC[C@@](c2cc3ccccc3s2)(N2CCCCC2)CC1 102954869 OHYWQCRPXXLZMZ-MSEWRSJXSA-N 356.560 5.628 50 1 FKGF Cc1cc(Cl)cc2c(CCl)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587623275 CZPFSGZGUQZYPY-UHFFFAOYSA-N 359.083 6.842 50 1 FKGF C=C1CC[C@]2(C)C(CC[C@](C)(O)[C@H](O)CCl)=C(C)CC[C@H]2C1(C)C 2356351827 GNPJSHXMYAHCJO-ZSXPUABSSA-N 354.962 5.226 50 1 FKGF C=C(c1ccccc1)[C@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 49881900 CYNDGRLMHDPUCL-OOMBGRCJSA-N 365.473 5.188 50 1 FKGF N#C/C=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc1 1857751854 ZUQGCPYADFZPMA-SNAWJCMRSA-N 367.456 5.573 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@@H]1C=CCC=CCC=CCCCC(=O)OC 2356430824 RQOGDHBYTJYMHH-AGRFSFNASA-N 366.929 5.199 50 1 FKGF CC1=C[C@H]2[C@@H]([C@]3(C)CC[C@@H](C(C)(C)N=C=S)O3)CC[C@@](C)(C#N)[C@H]2CC1 2356588905 MDHXTRAQAIWATJ-RMLDPDKQSA-N 372.578 5.718 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C)c(C)c1)CC2=O 587459969 JOSBGZXRZUVFDZ-OAQYLSRUSA-N 358.865 5.061 50 1 FKGF CCCCc1ccc2[nH]c(-c3ccc(CC)cc3)c(C=C(C#N)C#N)c2c1 35088793 CBOLTYXLYPNOFV-UHFFFAOYSA-N 353.469 6.170 50 1 FKGF C=C([C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3)C12CC3CC(CC(C3)C1)C2 44280333 HAVMGJKJYMEDRU-PVJJUXSBSA-N 370.533 5.258 50 1 FKGF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCl 587357660 KCCLBKZKBXJNTB-UHFFFAOYSA-N 365.860 6.000 50 1 FKGF CC1=C(C(C)C)CC[C@]12CC[C@]1(C)[C@H](Br)CC[C@@](C)(O)[C@@H]1C2 2356798497 PJDWKETYOALUFF-OUUBHVDSSA-N 369.387 5.854 50 1 FKGF C[C@@]1(c2ccc(Cl)s2)CC(c2ccc(Cl)s2)=CC=C1C=O 40974764 XUTNBCNPIVGIHG-MRXNPFEDSA-N 355.311 5.987 50 1 FKGF C[C@@](Cl)(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Cl)CBr 85857055 JQUYRIQWDHGFCY-MPMRZOORSA-N 354.930 5.292 50 1 FKGF biogenic,in-vitro Cc1ncsc1CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587028013 MGVZZKNOBMOOKV-UHFFFAOYSA-N 369.384 5.770 50 1 FKGF CN(C)CCOc1ccc(C(=C(C#N)c2ccccc2)c2ccccc2)cc1 1857627826 RVKOOUBCVRNCCL-UHFFFAOYSA-N 368.480 5.110 50 1 FKGF CCCCCCCC/C=C/C(=O)CCCCCCC(=O)NCCCl 66073724 NBUSHLZIYMVRND-SDNWHVSQSA-N 357.966 5.558 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586973090 FHFJIMMYZLZQGF-ZDUSSCGKSA-N 371.322 5.907 50 1 FKGF C[C@H](Cl)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500335 BDIWLMIJGGFBEH-YEJXKQKISA-N 358.840 5.193 50 1 FKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)cs2)N1 587848692 PNDYEINUOSXLHT-GLEZIHRCSA-N 374.706 5.012 50 1 FKGF C=C1CC[C@]2(NC)[C@H](C)CC[C@@H]3[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@H]1[C@@H]32 2356824093 GSCYNRKLOLKIAF-CHRJYMETSA-N 360.611 5.501 50 1 FKGF N#C/C(C(=O)Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1)=C(/O)C1CC1 100785092 YNTMYIJMGKWPBD-VAXMLIIRSA-N 364.832 5.195 50 1 FKGF CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC[P@@](=O)(F)OC 136827776 KWKZCGMJGHHOKJ-IQTWNIDGSA-N 370.489 7.941 50 1 FKGF in-vivo Fc1ccc(S)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587140370 DVPPEEJAAARSJH-UHFFFAOYSA-N 370.343 6.315 50 1 FKGF C[C@@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=CC=C1C=O 35077265 DEHHUTGITQEPQK-NDEPHWFRSA-N 374.483 6.863 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169292524 GMAAJLJNAMIUSD-DBQGFPOUSA-N 368.558 5.998 50 1 FKGF Cc1cc(Cl)cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586973158 FZDRLWADILFRDO-LLVKDONJSA-N 363.686 5.571 50 1 FKGF CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CCl 28825619 FXXAEVWLAOMRSI-UHFFFAOYSA-N 372.605 5.284 50 1 FKGF N#CC=Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356315573 LUKXFZFFBYPOKM-UHFFFAOYSA-N 355.481 6.136 50 1 FKGF C=C(Cl)[C@@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Cl 1856136 MCVCWSYWDGWKFL-WPRPVWTQSA-N 356.946 5.516 50 1 FKGF C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 587080581 WOMZCMHODIBWLH-ZETCQYMHSA-N 372.750 5.680 50 1 FKGF C[C@@]1(c2cccc(CCl)c2)c2ccsc2CCN1Cc1ccco1 962716644 ZMZPDOROJPQOTQ-HXUWFJFHSA-N 357.906 5.402 50 1 FKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCCCC2)N1 587684521 KVYUMVVPPDXNNH-DIFFPNOSSA-N 374.725 5.137 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356529739 QRDHVGGKSGYWJG-YIUJWAEMSA-N 368.558 5.854 50 1 FKGF CO[C@]1(C)OC[C@@]2(C)O[C@@H](C)[C@@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 195480801 IUOBFSFZOAAPND-MFKWGIFDSA-N 372.622 5.124 50 1 FKGF C=C(c1ccc2ccccc2c1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552507 HWXWPHSMMOSUGA-SOGODYJTSA-N 362.469 5.352 50 1 FKGF Fc1cccc(F)c1C[C@@H](Br)c1cc2c3c(cccc3n1)CC2 587210252 LFIMTLODWRMGTA-CQSZACIVSA-N 374.228 5.290 50 1 FKGF CC/C=C/[C@@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431356 QRDHVGGKSGYWJG-HJUUXKBKSA-N 368.558 5.854 50 1 FKGF C=C1CC[C@@H](Br)C(C)(C)[C@@]12C=C/C(=C\Br)CC2 49554524 TZEMMCWTQQXORZ-ZYICGEMBSA-N 360.133 5.741 50 1 FKGF N#CSCCCCCCCC[C@@H](O)CCCCCCCSC#N 85649343 VATLQZFVRAMNQM-GOSISDBHSA-N 356.601 5.847 50 1 FKGF biogenic CC(C)=CCC/C(C)=C/[C@@H]1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]12 14679192 ZXWHFWJXLBFYEO-QQANFURWSA-N 369.387 6.020 50 1 FKGF CC1(C)[C@H]2CCC(/C=C/N=C(Cl)Cl)=C[C@@]2(C)C[C@H](O)[C@@H]1Cl 85835166 UGFPVWDJDIORFX-MZVLLMDDSA-N 350.717 5.075 50 1 FKGF Cc1c([C@@H](C)Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625704 KKXXFFFUDOOXRB-ZCFIWIBFSA-N 374.122 5.970 50 1 FKGF CCc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103995228 ZXYRLMCXDOZQOO-RDPSFJRHSA-N 368.480 5.974 50 1 FKGF C=C1CC[C@@]2(C)[C@H](C=CCC[C@@H]1C(C)C)[C@@](C)(O)CC[C@H]2Br 2356581098 KKTOETZBFFCICP-RMMWZPCPSA-N 369.387 5.876 50 1 FKGF CC[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329198 XMSABSXSXKCLFS-ICSRJNTNSA-N 362.828 5.058 50 1 FKGF COc1ccc(Cl)cc1C#Cc1c(Cl)cc(N=C=S)cc1Cl 587919426 OOIZZNVTIBZVPE-UHFFFAOYSA-N 368.672 5.790 50 1 FKGF COC(=O)C[C@H](C)CC[C@@]1(C)[C@@H]2C[C@@H](OO)C=C(C)[C@@]2(C)CC[C@H]1C 2356607828 SQSOIDXJDSZGJH-UVPDMZIZSA-N 352.515 5.233 50 1 FKGF CC1=C(C(C)C)CC[C@]12CC[C@]1(C)[C@H](Br)CC[C@](C)(O)[C@@H]1C2 2356798499 PJDWKETYOALUFF-SWBPCFCJSA-N 369.387 5.854 50 1 FKGF Nc1cc(Br)ccc1-c1[nH]c2cccc(F)c2c1CCl 587633180 ZWMJFHWEDOWDHK-UHFFFAOYSA-N 353.622 5.058 50 1 FKGF C[C@@]1(c2cccs2)CC(c2ccc(-c3ccccc3)cc2)=CC=C1C=O 40834975 ZEEUCCHTSYDOEA-XMMPIXPASA-N 356.490 6.285 50 1 FKGF CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(CCl)s1 95582155 GJHRDLNVBUPPGF-LJQANCHMSA-N 368.889 5.282 50 1 FKGF O=C1C[C@@](CCCCl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503017 KHFZVZVDLUJWSP-QFIPXVFZSA-N 372.867 5.584 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@H]3C)C(C=O)=CC[C@@H]12 2356522283 BUCPXTDRLMUVPM-VNFFBJSOSA-N 366.545 6.002 50 1 FKGF COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 104691067 NBTPAFQOTIYHIR-MBSDFSHPSA-N 370.452 5.421 50 1 FKGF COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@@H](OO)C[C@H]12 238768495 SQSOIDXJDSZGJH-JNBORBBOSA-N 352.515 5.233 50 1 FKGF C[C@H](C#N)c1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587188457 RGZHGWRKVGXZHP-SNVBAGLBSA-N 373.350 6.514 50 1 FKGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587628620 OUELAJMJPUICEF-SECBINFHSA-N 351.208 5.193 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc([C@H](Cl)c2ccccc2)cc1 587906204 UTMXXJROEDHHFY-JOCHJYFZSA-N 367.275 6.077 50 1 FKGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3[nH]2)cc1 299865602 NYFBRNCXPRVLFR-RVDMUPIBSA-N 350.853 5.127 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 44404896 BHBZTOVSDRPRQX-XJLGBHOJSA-N 366.542 5.774 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 103543977 KMNDRZKARMKESQ-QHCPKHFHSA-N 370.452 5.597 50 1 FKGF COC(=O)CCCCCCCC(=O)CCCCCCCO[Si](C)(C)C 2356709262 VMDKGJXWMKIIOS-UHFFFAOYSA-N 372.622 5.651 50 1 FKGF CC(C)(C)c1ccc(C2OOC(c3ccc(C(C)(C)C)cc3)OO2)cc1 44359275 MGSKCQYEXMZNKJ-UHFFFAOYSA-N 356.462 5.889 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCCl)c(CCl)[nH]c2c1 587625696 KIMXXGUQMHYWNZ-UHFFFAOYSA-N 364.116 5.726 50 1 FKGF CCCC[C@@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 42875337 GMAAJLJNAMIUSD-GXKRZCMTSA-N 368.558 5.998 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)c1cccnc1 95596924 QWDDTOMERKJRQK-DEOSSOPVSA-N 369.404 5.185 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@@H]1C=CCC=CCC=CCCCC(=O)O 2356564722 ZPCHFWGBCMRNFG-JGLNRKDHSA-N 352.902 5.111 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356550993 PSWZZBNSRFVMJA-YOUFYPILSA-N 354.531 5.909 50 1 FKGF CC(=CC[C@H](Br)C(C)=CC(Cl)Cl)CBr 2356450647 DFVMAXZBJUPYKZ-VIFPVBQESA-N 364.936 5.231 50 1 FKGF CC(C)(F)[C@H](Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 587087853 WUPYKLJLHYKGAS-QGZVFWFLSA-N 371.253 6.053 50 1 FKGF Cc1cc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587496438 CXZAFHANBKIPBR-HSZRJFAPSA-N 368.904 5.590 50 1 FKGF O=C1C[C@](CCCCl)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587499578 VYWTVLHCUQSIRI-JOCHJYFZSA-N 370.876 5.151 50 1 FKGF Cc1c(F)ccc2c1[C@]1(CCCCCCCCCC[C@H]1Cl)NCC2 962094449 SPBRLJGOKIDAHN-TZIWHRDSSA-N 351.937 5.997 50 1 FKGF C/C(=N\NC(=O)c1cnc2ccccc2c1)c1ccc(C2CCCCC2)cc1 1857640164 OHEYYQMSAWLVQT-YZSQISJMSA-N 371.484 5.437 50 1 FKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356481400 PAUIQDPAEDELMC-QHCPKHFHSA-N 366.545 6.190 50 1 FKGF CC(=C/Br)/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br 85951808 UWZOIUBBJJHQJC-AUXHIHAJSA-N 362.920 5.355 50 1 FKGF Cc1ccc(C2OOC(c3ccc(/C=N\c4ccccc4)cc3)OO2)cc1 72173447 XFDDMTSRTOMJQI-HAHDFKILSA-N 361.397 5.353 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(Cl)Cl)CC2=O 587457968 FCTGAZLWLDVYKX-IBGZPJMESA-N 365.256 5.009 50 1 FKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2c(Br)cccc12 1857770712 IUVAUMQCSUIKEG-OQLLNIDSSA-N 374.241 5.543 50 1 FKGF C=C[C@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl 1637287 OGRGXGGBTRUIDS-WCBMZHEXSA-N 366.952 5.106 50 1 FKGF biogenic C=C1CC[C@@H](Br)C(C)(C)[C@@]12C=C/C(=C/Br)CC2 44305773 TZEMMCWTQQXORZ-DUAKTUNXSA-N 360.133 5.741 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 85775767 ONPDZDNKLXUXLN-ZSYGZLOSSA-N 354.531 5.765 50 1 FKGF CC(C)=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(CCCC[C@]12C)OO3 2356573272 HSJVZKCDRVNGSG-ZUHJIWNMSA-N 370.577 6.621 50 1 FKGF CC1=C(/C=C/c2ccccc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1911579148 KKJWHNYUXIRQKH-DOCROCDTSA-N 368.473 5.220 50 1 FKGF Cc1ccc2c3c(cc(-c4cccc(N=C=O)c4)nc13)-c1ccccc1C2=O 586995346 FZNXPTWWUOHGPB-UHFFFAOYSA-N 362.388 5.389 50 1 FKGF C[C@]1(c2cccc(CCl)c2)c2ccsc2CCN1Cc1ccco1 962716641 ZMZPDOROJPQOTQ-FQEVSTJZSA-N 357.906 5.402 50 1 FKGF N#C/C(=C\c1cc(Cc2ccc(Cl)c(Cl)c2)ccc1F)C(=O)C1CC1 1857539721 VGNQGZZZKOGVSB-MHWRWJLKSA-N 374.242 5.609 50 1 FKGF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OSSO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 84756918 ZTQOUQGOZHUYNV-GTYQWKCWSA-N 374.656 7.153 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 2356754489 HGRUNRAUYWALHI-WCCBULMPSA-N 366.542 6.076 50 1 FKGF CCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496199 BXRLVSGEPGFLNE-JOCHJYFZSA-N 354.877 5.227 50 1 FKGF N#CSCCCCCCCC[C@H](O)CCCCCCCSC(N)=O 14766224 FOFPLBMCEVCUPG-KRWDZBQOSA-N 374.616 5.445 50 1 FKGF biogenic CC/C=C/[C@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431359 QRDHVGGKSGYWJG-QVWXMBTRSA-N 368.558 5.854 50 1 FKGF CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 103995175 BCVSXCAFRRGOPC-VGOFRKELSA-N 358.416 5.551 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587188371 QXOOQHRLDFJVCU-WQLSENKSSA-N 371.334 6.284 50 1 FKGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587628162 JCBCOYREYHVISW-SECBINFHSA-N 351.208 5.193 50 1 FKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OSSO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 84756920 ZTQOUQGOZHUYNV-XRNRSJMDSA-N 374.656 7.153 50 1 FKGF C=CCc1c(CCl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587357828 MTQFORFBPSSLBR-UHFFFAOYSA-N 363.844 6.124 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356424211 QTIPTWPLMFIHPM-VNYTWHDVSA-N 352.515 5.685 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1)CC 2356583369 RZRGZFAFBCXRPE-NYVOZVTQSA-N 364.526 5.996 50 1 FKGF CCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)C(=O)OC 195783791 ISYKTPYDGSSZAA-LJQANCHMSA-N 358.639 6.471 50 1 FKGF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OSSO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 169292288 ZTQOUQGOZHUYNV-YDRVBMSGSA-N 374.656 7.153 50 1 FKGF S=C=N/C=C\CCCCCCCCCCCCCCCN=C=S 137924172 WVISEIUHTITASY-PEZBUJJGSA-N 352.613 7.167 50 1 FKGF CCOc1ccc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963103385 LCSSAEJQBVRGBS-YIFZBPKDSA-N 373.899 5.116 50 1 FKGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCCC2)[C@H]1c1ccc(F)cc1 587325971 IWLXUYQKLVHDOZ-FPOVZHCZSA-N 374.839 5.058 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1 587639368 TUHZXMFREFNWRU-ZDUSSCGKSA-N 355.865 5.858 50 1 FKGF O=C(CCCCCCc1ccccc1)c1ncc(CCCCCCl)o1 103251715 CUYCAWCZBFXUBX-UHFFFAOYSA-N 361.913 6.002 50 1 FKGF COc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1O 587785787 GSKVSAVCPBQDEI-UHFFFAOYSA-N 366.311 5.602 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356424210 QTIPTWPLMFIHPM-QEUVDIPISA-N 352.515 5.685 50 1 FKGF C/C(=C\CBr)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 49757031 KQYUEKLNYFZILD-PYDDKJGSSA-N 359.436 7.767 50 1 FKGF C[C@]1(/C=C/Cl)C[C@](Cl)(CBr)[C@H](Cl)C[C@H]1Cl 256405205 UJTXKWHTNURSMJ-YMDJEZEJSA-N 354.930 5.126 50 1 FKGF Fc1ccc2c(CCBr)c(-c3ccc(Cl)cc3)[nH]c2c1 587632654 OFGDVXXCCRPZHS-UHFFFAOYSA-N 352.634 5.565 50 1 FKGF C[C@H](Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587009317 ZVKWDMQNJIIYRJ-YFKPBYRVSA-N 351.138 5.676 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C(C)C)cc1)CC2=O 587460020 KQFZTPMTDYFKSL-JOCHJYFZSA-N 372.892 5.568 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 13737744 LXSRYCCKGWATML-NBBHSKLNSA-N 351.328 5.282 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587187577 IWLWTSFWYJDCLA-NTEUORMPSA-N 352.235 5.006 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@H]1[C@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)NC 2356855255 RBKFYCJWOLRTGL-GVNFOSLFSA-N 360.611 5.501 50 1 FKGF Cc1ccc2c3c(cc(CCCBr)nc13)-c1ccccc1C2=O 586994092 UBPBARDQQQVLOY-UHFFFAOYSA-N 366.258 5.082 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CBr)[C@H](Br)C[C@H]1Cl 2356582454 IRLVZQNJQWALFU-IMSYWVGJSA-N 364.936 5.064 50 1 FKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCCCC2)N1 587684524 KVYUMVVPPDXNNH-GTNSWQLSSA-N 374.725 5.137 50 1 FKGF CCCC[C@H](Cl)CCCC[C@@H](C)[C@H](OC(C)=O)c1cc(O)cc(O)c1 2356623880 MONOMZXDURAAAV-LIVBEALHSA-N 370.917 5.696 50 1 FKGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@@H]1COC2(CCCCC2)OO1 43356617 PFFOFGDYRXZZMP-YADHBBJMSA-N 368.473 5.217 50 1 FKGF C=C1CC[C@@]2(C)[C@H](CC[C@@]3(C)O[C@@](C)([C@H](O)CCl)CC[C@@H]23)C1(C)C 2356469275 GPNFAFGDZIONCK-QJAIXKHESA-N 354.962 5.323 50 1 FKGF C=C[C@@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl 1637288 OGRGXGGBTRUIDS-SCZZXKLOSA-N 366.952 5.106 50 1 FKGF biogenic CCOc1ccc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963103378 LCSSAEJQBVRGBS-VQPPSCEASA-N 373.899 5.116 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(O)CC(C)(C)CC2=N1 103543837 YSMHBYNJUMGSBM-QGZVFWFLSA-N 361.272 5.961 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\CBr)nc2c1 586972931 CUNXZHLUOCVOPN-UPHRSURJSA-N 373.094 5.009 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104044537 KURLKPUIPZNZAA-HTAPYJJXSA-N 374.871 6.065 50 1 FKGF CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104695984 QLOAAYOKQMRPIZ-KSFYIVLOSA-N 374.871 6.065 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)CC(C=O)=CC[C@@H]21 59779483 YJHVGMSCPWBUDS-BLDDEZIESA-N 358.566 5.542 50 1 FKGF COc1ccccc1[C@H]1C(C#N)=C(C)N=C2C[C@@H](c3ccccc3)CC(O)=C21 103867741 IAWHDYDBPJMHCT-HXOBKFHXSA-N 370.452 5.421 50 1 FKGF COC(=O)c1ccc(OCCCCCCCCCCCSC#N)cc1 169340439 MLSCQJDIIRNCCY-UHFFFAOYSA-N 363.523 5.577 50 1 FKGF O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)Cc1ccccc1 587275872 GXWYFZKQMDTHHA-HNNXBMFYSA-N 363.638 5.275 50 1 FKGF CCCCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 1772585927 HDWVWVIDDWGXIY-XDJHFCHBSA-N 373.493 5.469 50 1 FKGF CCc1cc2ccc([C@](C)(C#N)Cc3cccc(C=CC#N)c3)cc2nc1O 2356705352 JAIPMTLDTUHVHD-DEOSSOPVSA-N 367.452 5.064 50 1 FKGF CC(C)(C)[Si](OC1CCCCCC1)(c1ccccc1)c1ccccc1 221740569 UGFVIVHYPGUZJG-UHFFFAOYSA-N 352.594 5.286 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(Cl)s1 963228709 MPWDKKZNDGXGML-ACJLOTCBSA-N 354.346 5.541 50 1 FKGF ClCCCOc1cccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963110491 PWMKZZXYWLCPIL-SFHVURJKSA-N 370.707 5.236 50 1 FKGF CC(=O)OOCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356421297 FJOYMCJYEZOBCF-WOJBJXKFSA-N 354.575 6.867 50 1 FKGF C[C@@H]1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 36248261 APQFAJIOCXNYOD-ZGNKEGEESA-N 352.481 5.178 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc3ccccc3cc2[nH]1 586974781 ZPRKZCBMOACRME-ZDUSSCGKSA-N 365.274 5.763 50 1 FKGF O=C(O)c1cccc2c(CCl)c(-c3ccc(Br)cc3)[nH]c12 587639099 VOYJEXWGKQXXBY-UHFFFAOYSA-N 364.626 5.034 50 1 FKGF N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 587922511 VGLALMPAMVFIEE-QSJINSDNSA-N 350.393 5.709 50 1 FKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1cccc(Nc2ccc(C#N)cc2)n1 653724594 HFPXSPFLFDOKJW-SNAWJCMRSA-N 365.440 5.594 50 1 FKGF C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)=CC(=O)OC 2356469349 JPVCMCZIKWBOTI-WYBOHUHJSA-N 350.499 5.153 50 1 FKGF CC(C)(F)[C@@H](Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 587087852 WUPYKLJLHYKGAS-KRWDZBQOSA-N 371.253 6.053 50 1 FKGF CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@@H]5[C@H](C)CC[C@]354)C[C@@]2(C)CC1 2356739180 GZIOHXRVLOOKSP-QNKFMZNASA-N 350.546 6.411 50 1 FKGF O=C1c2ccccc2-c2cc(-c3cccc(CCl)c3)nc3cccc1c23 587103113 CKVNAEKNUVGYIF-UHFFFAOYSA-N 355.824 5.852 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1ccc(Cl)s1)O2 587411687 UKUZIDPJMBSVTJ-KRWDZBQOSA-N 370.301 5.172 50 1 FKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCCCC2)N1 587684526 KVYUMVVPPDXNNH-PIGZYNQJSA-N 374.725 5.137 50 1 FKGF N#CC(C#N)=C1C(=O)c2cccc3c(Oc4ccc(Cl)cc4)ccc1c23 95590727 KYXYOAYQWRWUIV-UHFFFAOYSA-N 356.768 5.283 50 1 FKGF O=C(Cl)/C=C/c1ccc(/C=C\C(=O)c2coc3ccc(Cl)cc23)cc1 587276722 SGCWRADUVRBQHA-YBMVAOSUSA-N 371.219 5.761 50 1 FKGF N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 587922510 VGLALMPAMVFIEE-HASPRUBHSA-N 350.393 5.709 50 1 FKGF CCCCCCC=CC#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C 2356480020 MQTXVZHDNPCALD-HXUWFJFHSA-N 366.618 5.860 50 1 FKGF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NC(=O)CCl)c3[C@H](C1)C2 101279771 DAJXAQSGQWQMMX-VXGBXAGGSA-N 361.272 5.062 50 1 FKGF CCC=CC[C@H](C=CC=CCC=CCC=CCCCCCC(=O)O)OO 2356340467 PQYYUXHETXYOCV-OAQYLSRUSA-N 362.510 6.241 50 1 FKGF CC(C)(C)S/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1 1857630191 SGXIBNRJZNXXOH-HTXNQAPBSA-N 351.475 5.004 50 1 FKGF C=C[C@](C)(O)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](Br)CC[C@]21C 140421420 DOQDXPQNPHVLQP-NIMBFUQJSA-N 369.387 5.876 50 1 FKGF N#C/C=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857751305 UUVPPNMLZDVPOR-QPJJXVBHSA-N 357.417 5.166 50 1 FKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356608367 MRRHNAZUVJWYGY-SPNOPHAYSA-N 368.558 6.155 50 1 FKGF CCOc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@H]2Cl)cc1 1617198 LUEUMZMLQMFQKP-GOSISDBHSA-N 365.256 5.503 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C/[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 43617231 HGRUNRAUYWALHI-XICUHNIJSA-N 366.542 6.076 50 1 FKGF CCc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103995215 ZXYRLMCXDOZQOO-HYBUGGRVSA-N 368.480 5.974 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1857603601 UQTDWYOATMASPT-GOSISDBHSA-N 362.772 5.246 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586973593 LUIIGQDAKOBFIS-ZDUSSCGKSA-N 371.322 5.907 50 1 FKGF O=CC1=CC=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 40973598 ISFQWKYAOAAXRG-HSZRJFAPSA-N 355.393 5.444 50 1 FKGF Nc1ccc(F)c(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587140484 BGSXROHYKKUKDH-UHFFFAOYSA-N 367.318 5.532 50 1 FKGF Cl[C@H]1c2ccccc2[C@@]2(c3ccccc3)OO[C@@]1(c1ccccc1)O2 105477902 OOWNMAQQRZZARS-PWRODBHTSA-N 350.801 5.013 50 1 FKGF COc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498107 LYSICJXQCUWJMG-FPTDNZKUSA-N 370.876 5.062 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cl)c(C(F)(F)F)c1 587914109 YIFBMYVPAZJAMS-UHFFFAOYSA-N 373.157 5.146 50 1 FKGF Cc1ccc(C)c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498024 NPDBKWQZLBDEIY-HJPURHCSSA-N 368.904 5.670 50 1 FKGF COc1ccc2c(c1)[C@@](CCCl)(c1cccc(C)c1)N(C(C)C)CC2 962086768 CWBVHQKGGBZGMG-JOCHJYFZSA-N 357.925 5.143 50 1 FKGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356497878 BQTOMHXDSCUCFR-UHFFFAOYSA-N 350.546 7.219 50 1 FKGF Cc1c(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cccc1[N+](=O)[O-] 40592537 PRUIINXZLKTASF-SDNWHVSQSA-N 370.368 5.104 50 1 FKGF CC(C)(C)c1ccc(/C=C/C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 1857645251 LLEHGQMNUVOLTC-KNIYNQPWSA-N 362.517 5.445 50 1 FKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587496483 DDRDZHMIRHQGBU-KBJGYGKASA-N 358.909 5.335 50 1 FKGF C[C@@H](CCCCCC[C@H](O)CCCCCCCSC#N)CSC#N 86050497 YLYGPNWVFLIQJO-RBUKOAKNSA-N 370.628 6.093 50 1 FKGF biogenic CCCC[C@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169292525 GMAAJLJNAMIUSD-MXKPZRPRSA-N 368.558 5.998 50 1 FKGF CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)OC)OO 219969159 GNTURDCSUKZVNZ-XSWBBBRJSA-N 350.499 5.773 50 1 FKGF in-vitro N#C/C(=C\c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587188151 OZAXASOYEATVLY-IZZDOVSWSA-N 358.626 5.043 50 1 FKGF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CCl)cs1)CC2=O 587494921 OAFRBLKBTAWVIW-SFHVURJKSA-N 350.867 5.026 50 1 FKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@H](Cl)C[C@@H]1Cl 2356560543 UJTXKWHTNURSMJ-JXUBOQSCSA-N 354.930 5.126 50 1 FKGF C=CCc1ccc(O)c(-c2ccc(OC)c(C[C@@H](C)Br)c2)c1 70463298 RUVFYCSQNLFKOK-CYBMUJFWSA-N 361.279 5.122 50 1 FKGF CC/C=C/[C@H](CC)C/C(=C/[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)CC 85644499 HGRUNRAUYWALHI-OLXSEUCXSA-N 366.542 6.076 50 1 FKGF Fc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587145992 ZBFZGFUVLSDVLT-UHFFFAOYSA-N 356.266 6.166 50 1 FKGF C[C@]1(CCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327342 PJJCVEGKYPVXHS-AZUAARDMSA-N 362.828 5.058 50 1 FKGF C=C1CC[C@]2(C)C(CC[C@](C)(O)[C@@H](O)CCl)=C(C)CC[C@@H]2C1(C)C 2356351824 GNPJSHXMYAHCJO-JYRKZWEQSA-N 354.962 5.226 50 1 FKGF CCCCC[C@H](/C=C/C=C\C/C=C/C=C/[C@H](CCCC(=O)O)OO)OO 85966953 PCIOUQYHTPPZEM-UWEQJSFBSA-N 368.470 5.153 50 1 FKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccc(Br)cc12 1857774789 NRRDELVAKRRBIK-OVCLIPMQSA-N 374.241 5.543 50 1 FKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@@H](Cl)C[C@@H]1Cl 2356560545 UJTXKWHTNURSMJ-XKNYDFJKSA-N 354.930 5.126 50 1 FKGF C[C@@]1(Cl)C[C@@](C)(Br)[C@@H](/C=C/Cl)C[C@@H]1Br 73417881 FMMSUHFXIOENCO-VTHCJYECSA-N 364.936 5.064 50 1 FKGF CC(C)(C)[Si](C)(C)O/N=C\c1ccc(O[Si](C)(C)C(C)(C)C)cc1 195502405 YEYDWXCFCHLAQA-HKWRFOASSA-N 365.666 6.426 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C1CCC1)[C@H](C)Br 963244975 YYAIVEVKMQEJMT-ZRGWGRIASA-N 350.344 5.122 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CCl)[C@@H](Br)C[C@H]1Br 2356468562 IBWBTIUOMWLVDJ-JXUBOQSCSA-N 364.936 5.064 50 1 FKGF CCOc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496401 CQVIPJGLQOBWFC-QFIPXVFZSA-N 370.876 5.064 50 1 FKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 587529693 BDFHJYLFIMSSQK-HXUWFJFHSA-N 360.906 5.343 50 1 FKGF CCCCCCCCC/C=C\CCCCCCC[P@](=O)(F)OCC 44386606 VYZPCTVFYQGPIG-JPFBCYGGSA-N 362.510 8.223 50 1 FKGF CC(C)=CCC/C(C)=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587968138 PESYEEMDUQWNJT-XFXZXTDPSA-N 366.399 7.370 50 1 FKGF CCCCC[C@@H](C=CC=CC=C[C@@H](CC=CCCCC(=O)O)OO)OO 2356342702 CXDIKCDVBUPCCG-OALUTQOASA-N 368.470 5.153 50 1 FKGF Clc1ccccc1/C=C/CSSC/C=C/c1ccccc1Cl 40918168 MNULXQDLVCMZKV-NXZHAISVSA-N 367.366 7.101 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@]43C)[C@H]1C[C@@H](Br)C2=O 253633512 GSOJBPSBUAABDR-OZLURBBSSA-N 351.328 5.282 50 1 FKGF CC/C=C/[C@H](CC)C[C@@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 141463014 BHBZTOVSDRPRQX-OPBIUEIISA-N 366.542 5.774 50 1 FKGF Fc1ccc([C@@]2(CCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963115185 ZVBQYUUKJQCWNI-QGZVFWFLSA-N 358.671 5.151 50 1 FKGF C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CC(=O)OC 2356469346 JPVCMCZIKWBOTI-OJVCSNARSA-N 350.499 5.153 50 1 FKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587037396 VBISXLSPUWBZGK-UHFFFAOYSA-N 366.380 6.438 50 1 FKGF C[C@H](CCCCCCC=Cc1ccccc1)C[C@]1(C)C[C@@H](C)[C@](C)(O)OO1 2356429491 WLSHRUVGKAXXOJ-LUGTWXOSSA-N 374.565 6.522 50 1 FKGF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1ccc(CCl)cc1 962373392 LRAPJNMCQRPWPI-OAQYLSRUSA-N 370.949 5.147 50 1 FKGF COc1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1CCl 962665955 RUWJQGXMSHCYKP-HSZRJFAPSA-N 363.888 5.336 50 1 FKGF Cc1sc2c(c1C)CCN[C@@]2(CCCCl)c1ccc(F)c(Cl)c1 963011252 OTVFOOOLZPDBQD-SFHVURJKSA-N 372.336 5.566 50 1 FKGF Fc1cccc2c1[C@](C1CC1)([C@H](Cl)c1ccccc1)N1CCC[C@@H]1C2 963113220 SKURDFVPECKYFK-STZQEDGTSA-N 355.884 5.432 50 1 FKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)CC 2356634243 CIIHSLMHCIOPNX-RJJVWVDVSA-N 368.558 6.300 50 1 FKGF CCCCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1 43422855 VAVUENFBGXJNDG-UHFFFAOYSA-N 366.977 6.510 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC)cc1)CC2=O 587461863 URXJKNMMDGUUMU-OAQYLSRUSA-N 358.865 5.007 50 1 FKGF CCCCC[C@@H](C=CC=CC=C[C@H](CC=CCCCC(=O)O)OO)OO 2356342704 CXDIKCDVBUPCCG-RBUKOAKNSA-N 368.470 5.153 50 1 FKGF CC/C=C/[C@@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169361796 BHBZTOVSDRPRQX-QYGPSGNDSA-N 366.542 5.774 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@](C=CC(=O)O)(CC)OO1 2356578277 LPSSNYLPAQXPPZ-CEWLAPEOSA-N 350.499 5.606 50 1 FKGF C[C@H](CCCCC[C@H](O)CCCCCCCCSC#N)CSC#N 86050490 DSSMVYRJIQOAML-RTBURBONSA-N 370.628 6.093 50 1 FKGF biogenic CCC=C[C@H](CC)CC=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356868866 XFGVHASPCNQRND-CTAFRAEOSA-N 352.515 5.384 50 1 FKGF OCc1ccc(F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587140892 UOUMBMSHARVIAV-UHFFFAOYSA-N 368.302 5.519 50 1 FKGF C[C@](Cl)(C=C[C@@H](Cl)[C@@](C)(Cl)C=CCl)CBr 2356688707 JQUYRIQWDHGFCY-UTLUCORTSA-N 354.930 5.292 50 1 FKGF O=C1c2ccccc2-c2cc([C@H](Cl)c3ccc(F)cc3)nc3cccc1c23 587103057 DBJWRSMQNAJQCG-JOCHJYFZSA-N 373.814 5.914 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42852093 QMVLZUWXHPMLES-JXDTVZCFSA-N 370.574 6.078 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2C[C@@H](O)[C@]2(C)CC(C=O)=CC[C@H]12 59779488 YJHVGMSCPWBUDS-UNTFZJFLSA-N 358.566 5.542 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCCCCCC[C@H]1Cl)O2 587382080 NJUWKLQEODRFPH-TZIWHRDSSA-N 363.929 5.803 50 1 FKGF COc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498114 LYSICJXQCUWJMG-RCDICMHDSA-N 370.876 5.062 50 1 FKGF C[C@](Cl)(C=C[C@H](Cl)[C@](C)(Cl)C=CBr)CCl 2356440091 NFUKOEFOLMOMIV-LPEHRKFASA-N 354.930 5.292 50 1 FKGF CCCC[C@H](C)C[C@@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44418262 ZZSLGVAAMWQFDX-RVDAZCDBSA-N 356.547 5.989 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=CCN=C(Cl)Cl)C[C@@H](O)[C@H]1Cl 2356791113 GKSLIBXQJIEVJU-IIAWOOMASA-N 352.733 5.261 50 1 FKGF Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1 60237687 HIIBBQJTEAFDMT-UHFFFAOYSA-N 367.452 5.489 50 1 FKGF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587331428 QISHHJZPRFHQTL-ZJOUEHCJSA-N 374.839 5.201 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)([C@H](C)Cl)CC2=O 587457946 DWHXGTSVMXHGQN-RCDICMHDSA-N 372.892 5.395 50 1 FKGF C=C(c1ccc2c(ccc3ccccc32)c1)[C@H]1COC2(CCCCC2)OO1 43511448 MPXPBZXVAWXQSX-HSZRJFAPSA-N 360.453 6.014 50 1 FKGF CC[C@@H]1C(C#N)=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1 103272917 FGKVTDKDLPRCPP-HSZRJFAPSA-N 351.449 5.921 50 1 FKGF COc1cc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc(Cl)c1O 103523786 MYKPNQXHDBRWCQ-KRWDZBQOSA-N 372.852 5.022 50 1 FKGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587087514 QZQXDNUVNMJKDX-SECBINFHSA-N 373.575 5.419 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587189202 ZNILINZZBDFPKN-FOWTUZBSSA-N 352.397 5.002 50 1 FKGF CCO/C=C(\C#N)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361001 UHANYINPYCUKMH-JQIJEIRASA-N 370.408 5.558 50 1 FKGF CCCCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 85666221 IYJCYRWWXCDKEB-QUCCMNQESA-N 356.503 5.090 50 1 FKGF biogenic CCCC[C@@H](C)C[C@H](CC)C[C@@]1(C)C[C@H](CC)[C@@H](CC(=O)OC)OO1 299832569 PVDHZAKYWJYCOD-CWVBCOCOSA-N 356.547 5.688 50 1 FKGF [C-]#[N+][C@@]1(C)CC[C@H]2[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@H]3C(=C)CC[C@@H]1[C@H]23 59103392 HEVMYYRAJZZCPU-KSIVUZQRSA-N 356.579 6.200 50 1 FKGF CC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996263 IQTFVIWVQFBBHE-CVDCTZTESA-N 354.453 5.721 50 1 FKGF O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587628068 GYZFFMOYGJVHJK-UHFFFAOYSA-N 351.208 5.195 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587187582 IXUQGARCOXAWPD-NVNXTCNLSA-N 366.262 5.315 50 1 FKGF C=C1CC[C@@]2(NC)[C@H]3[C@H](CC[C@H]2C)[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@@H]13 2356824095 GSCYNRKLOLKIAF-KXXRVGCSSA-N 360.611 5.501 50 1 FKGF CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C#N)cc1-3 40781810 PWYZGBBLOJIIAM-SNAWJCMRSA-N 355.441 5.164 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44307613 PNXRNGKSFMKWQG-MFPFFRNPSA-N 356.547 5.989 50 1 FKGF biogenic CC1=C(C#N)C(=C(C#N)C#N)O[C@@]1(C)c1ccc(Cl)c(Cl)c1Cl 73159055 OIYJHRIBRIFELV-MRXNPFEDSA-N 364.619 5.034 50 1 FKGF ClCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587207222 CXPDMEGNDNUEMT-UHFFFAOYSA-N 372.693 5.544 50 1 FKGF CO[C@H]1O[C@]2(c3ccc(-c4ccccc4)cc3)CC[C@H]3CCCC[C@@]13OO2 100993688 DESRHEDRYODNTQ-YPIGPJMWSA-N 366.457 5.180 50 1 FKGF CCCCC[C@H](Cl)[C@@H](Cl)C[C@H](Cl)[C@H](Cl)CCCC(=O)O 169621991 QHTKGYPZKJWJFA-RNJOBUHISA-N 366.156 5.641 50 1 FKGF C[C@]1(Cl)C[C@](C)(Br)[C@H](C=CCl)C[C@@H]1Br 2356587995 FMMSUHFXIOENCO-KATARQTJSA-N 364.936 5.064 50 1 FKGF C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C[C@H](OO)C[C@@]32C)[C@@]1(C)CCC(=O)O 85873614 JKZVRJBVBMTFCW-GDRZYPCOSA-N 362.510 5.455 50 1 FKGF biogenic Cc1ccc2nc(SSc3nc4ccc(C)cc4s3)sc2c1 117057628 SKQWJYKBNFADLR-UHFFFAOYSA-N 360.554 6.322 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 238754630 LXNOXMXZWPALFI-QQMDUOELSA-N 352.515 5.685 50 1 FKGF CC1=C(C#N)[C@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 104072628 HIAOEKAETWONAP-QHCPKHFHSA-N 370.452 5.597 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(C)cc1C)CC2=O 587457883 CVSOMCWLNVQPKC-JOCHJYFZSA-N 372.892 5.369 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CBr)[C@@H](Br)C[C@@H]1Cl 2356582457 IRLVZQNJQWALFU-XKNYDFJKSA-N 364.936 5.064 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1[C@@H]3CC=C(C=O)[C@@H](C=O)[C@@]3(C)CC[C@@H]12 40913433 ZUQQZYOCHBYEJX-AIGJZXDYSA-N 354.534 5.526 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@@]1(C)C[C@H](CC)[C@@H](CC(=O)OC)OO1 299832571 PVDHZAKYWJYCOD-HZKQSDJQSA-N 356.547 5.688 50 1 FKGF CC[C@@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103279197 BXNAMMUBQPOZBE-JOZWUWCOSA-N 372.734 5.054 50 1 FKGF CCC=C[C@H](C=C(C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1)CC 2356479516 SRXLLJDSYPTQNE-XWSHUIEDSA-N 366.542 5.774 50 1 FKGF C[C@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=CC=C1C=O 35077264 DEHHUTGITQEPQK-MUUNZHRXSA-N 374.483 6.863 50 1 FKGF CO[C@]1(C)OC[C@@]2(C)O[C@H](C)[C@@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C 195480808 IUOBFSFZOAAPND-LTFPLMDUSA-N 372.622 5.124 50 1 FKGF COC(=O)CCCCCCCCCCCCCCCO[Si](C)(C)C 195756733 XJKMNMXZRQVIAK-UHFFFAOYSA-N 358.639 6.472 50 1 FKGF CSc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1 587924817 KGXAPKUHNDNVKB-ZSOIEALJSA-N 366.467 5.007 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@H]3C)C(C=O)=CC[C@H]12 2356522281 BUCPXTDRLMUVPM-FETFUNELSA-N 366.545 6.002 50 1 FKGF CC(C)[C@@H]1CC[C@@]2(C)CCC=C(C=O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238749816 QAPDDLVCXDEXCQ-DODAKSQUSA-N 366.501 5.219 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 85964594 ZZSLGVAAMWQFDX-MFPFFRNPSA-N 356.547 5.989 50 1 FKGF biogenic CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CBr)c2c1 587641028 IGNSWAISBVAMJZ-GFCCVEGCSA-N 360.270 6.382 50 1 FKGF C=C1CC[C@]2(C)[C@@H]3CC[C@](C)([C@H](O)CCl)O[C@]3(C)CC[C@H]2C1(C)C 2356469277 GPNFAFGDZIONCK-XCPHWNSOSA-N 354.962 5.323 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587188153 OZAXASOYEATVLY-WDZFZDKYSA-N 358.626 5.043 50 1 FKGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(OO1)C1CC3CC(C1)CC2C3 43620328 IPFKHSYXIZSGTC-FGVUTLJFSA-N 360.881 5.243 50 1 FKGF CC1(C)[C@@H]2CC[C@@]1(CCl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587103055 AMWHCFYHTFNRKV-VOIUYBSRSA-N 373.883 5.840 50 1 FKGF O=C(Cl)CCCCCCCCC(=O)c1coc2ccc(Cl)cc12 587275512 BCDVFBINSUBKJM-UHFFFAOYSA-N 355.261 6.155 50 1 FKGF N#C/C=C/c1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857753018 JIDRJSPIWPPOBL-FNORWQNLSA-N 367.456 5.573 50 1 FKGF C[C@H](C=Cc1ccccc1)CC=C[C@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 2356464571 OLZRJIILBGYRMH-LBVMUVSTSA-N 372.505 5.652 50 1 FKGF N#C/C(=C(/N)Sc1ccccc1N)c1ccccc1Oc1ccccc1 38145353 BQIIWHRUWNKCHZ-HEHNFIMWSA-N 359.454 5.004 50 1 FKGF COc1ccccc1[C@@H]1C(C#N)=C(C)N=C2C[C@H](c3ccccc3)CC(O)=C21 103867756 IAWHDYDBPJMHCT-GAJHUEQPSA-N 370.452 5.421 50 1 FKGF CC(C)C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C 2356288227 YRVGJZNTZPIKEG-HUJXABIYSA-N 370.533 5.291 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C)c(C)c1)CC2=O 587459968 JOSBGZXRZUVFDZ-NRFANRHFSA-N 358.865 5.061 50 1 FKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2cc(Br)ccc12 1857648316 CVKTYCQGYZVWMW-OVCLIPMQSA-N 374.241 5.543 50 1 FKGF CCOC(=O)NNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26851162 YDDYSKNSSUWJGS-UHFFFAOYSA-N 372.428 5.205 50 1 FKGF CC[C@@H]1C(C#N)=C(c2cccs2)OC1(c1ccccc1)c1ccccc1 103295328 VXMRNMIVWBULSP-HXUWFJFHSA-N 357.478 5.983 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cccc(Cl)c1)CC2=O 587462329 YFLOOERJWPMTTL-LJQANCHMSA-N 365.256 5.098 50 1 FKGF C[C@]1(c2ccc(CCCl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497235 HVSPUVNJKMGWNI-JOCHJYFZSA-N 354.877 5.227 50 1 FKGF Fc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c2c1Cl 587628066 GUTKMRPIWYGYCI-UHFFFAOYSA-N 363.046 6.673 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 103543984 KMNDRZKARMKESQ-HSZRJFAPSA-N 370.452 5.597 50 1 FKGF CC(C)Oc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972766 BDZQGNHPQRRJLT-ZDUSSCGKSA-N 373.294 5.397 50 1 FKGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3cc(Cl)c(F)cc23)cc1 587629025 YGTRKHNSKZDZSS-UHFFFAOYSA-N 352.192 5.292 50 1 FKGF CCCCc1ccc(C2OOC(c3ccc(CCCC)cc3)OO2)cc1 49881641 WVUJZJODHNFTRD-UHFFFAOYSA-N 356.462 5.979 50 1 FKGF CC1=C(CCCCCCCCCCCCCC[C@H](C)O)C(=O)OC1=O 85858400 LQHWACDOMXJHRQ-KRWDZBQOSA-N 352.515 5.229 50 1 FKGF biogenic COc1ccc(Cl)cc1C#Cc1cccc(S(F)(F)(F)(F)F)c1 587917457 JNYAUWYEXYVUDK-UHFFFAOYSA-N 368.754 6.406 50 1 FKGF CC1=C[C@@H]2[C@@H](CC1)[C@](C)(C#N)CC[C@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 238772692 MDHXTRAQAIWATJ-NVLJRBADSA-N 372.578 5.718 50 1 FKGF ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587621530 WXXDYASNIPHJNK-UHFFFAOYSA-N 360.642 5.213 50 1 FKGF CC/C=C/[C@H](CC)CCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42834634 JOIXERUBSWWODE-SZJXJKCUSA-N 354.531 5.608 50 1 FKGF COc1cccc(-c2cc(CCCCl)nc3c2oc2ccccc23)c1 587358761 UBMAEZHOUVBXDN-UHFFFAOYSA-N 351.833 5.828 50 1 FKGF C=C(C)/C=C/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H](Br)CCC(=C)[C@]2(O)C1 13370884 SPJZQPJMDFSONI-JAZSVCEISA-N 365.355 5.716 50 1 FKGF COC[C@@H](/N=C\N1CCCc2ccccc2[C@@H]1CCCCl)C(C)(C)C 102987156 NFEDMTNADVWLPN-GBFGHGFOSA-N 364.961 5.084 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587188801 WWKPVLPQLIKXDG-ZSOIEALJSA-N 352.235 5.006 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065584 SSHPYHFLONVPBS-UHFFFAOYSA-N 355.719 5.936 50 1 FKGF ClCc1nccc(-n2c(-c3cccs3)ccc2-c2cccs2)n1 587942263 WVGNBAPALCHZLF-UHFFFAOYSA-N 357.891 5.463 50 1 FKGF C=C1[C@H](OO)CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CC(=O)OC 2356469347 JPVCMCZIKWBOTI-UEUMHJPSSA-N 350.499 5.153 50 1 FKGF CCCCCCCCCCS[C@H]1N=CN(C(C)(C)C)C(=O)[C@@H]1Cl 49881598 NRAHSMGEZORHOK-HZPDHXFCSA-N 360.995 5.463 50 1 FKGF CO[C@]1(C)OC[C@@]2(C)O[C@@H](C)[C@@]1(C)[C@H]2O[Si](C(C)C)(C(C)C)C(C)C 299814484 IUOBFSFZOAAPND-UHZRXMQZSA-N 372.622 5.124 50 1 FKGF Cc1ccc2c3c(cc([C@@H](C)Br)nc13)-c1ccccc1C2=O 586992987 GYQGXHFOFIMNTP-LLVKDONJSA-N 352.231 5.211 50 1 FKGF C[C@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)CC(=O)O 587963379 UOZZNICHAUVMNQ-MRVPVSSYSA-N 358.332 5.264 50 1 FKGF CCCC[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(C#N)=C(C(C)(C)C)O1 1857743865 NAYWXUUIJMFAFP-JOCHJYFZSA-N 373.493 5.342 50 1 FKGF C[C@H]1C[C@H]2C[C@@H](C)[C@@](C)(C#N)[C@H]3CC[C@H]4[C@H]([C@H]23)[C@@H]1CC[C@]4(C)N=C=S 40380767 QQXBCHYMIFYUTP-RMBRTBKZSA-N 356.579 5.742 50 1 FKGF CC/C=C/[C@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 44404888 BHBZTOVSDRPRQX-YRGGTENPSA-N 366.542 5.774 50 1 FKGF O=C1CCC[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586883504 DLPCHPXOLRYYAQ-VIFPVBQESA-N 354.344 5.837 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO)OO 102185580 PCIOUQYHTPPZEM-BVHTXILBSA-N 368.470 5.153 50 1 FKGF C=CCCCCC=CC#C[C@H](CCCCCC(=O)OC)O[Si](C)(C)C 2356429438 UTCOKYQAKRDCSK-HXUWFJFHSA-N 364.602 5.636 50 1 FKGF CCCC[C@@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42852098 QMVLZUWXHPMLES-UTNFEIGLSA-N 370.574 6.078 50 1 FKGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2cc(Cl)ccc12 45318864 FRBFVLSAIRIKPO-QGZVFWFLSA-N 359.859 5.287 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587187584 IXUQGARCOXAWPD-OVCLIPMQSA-N 366.262 5.315 50 1 FKGF CC(=CCO[Si](C)(C)C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356497898 CKZQZHKPLHXPCT-YADHBBJMSA-N 368.722 8.223 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586974267 UKINNCSROHEXDC-VIFPVBQESA-N 367.649 5.402 50 1 FKGF COc1ccc(C[S@](=O)C/C=C/SSCc2ccccc2)cc1 73197635 LGSDLQZKSBEESJ-LHRVCSDGSA-N 364.557 5.039 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587187489 HMWUIYMJPJOXSY-QGOAFFKASA-N 351.409 5.728 50 1 FKGF Cc1cccc(C)c1NC(=O)N/N=C/c1cccc(C(F)(F)F)c1Cl 169335056 HYISSJAIJLAUEL-LSFURLLWSA-N 369.774 5.131 50 1 FKGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2ccnc2n1 199130622 WQQKDMYAYLYJLV-UHFFFAOYSA-N 350.316 5.439 50 1 FKGF C=C1CC[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@@H]2C=CCC[C@@H]1C(C)C 2356581099 KKTOETZBFFCICP-UEDWAMCQSA-N 369.387 5.876 50 1 FKGF C=C1CC[C@H]2[C@@](C)(N=C=O)CCC[C@]2(C)[C@H]1CC[C@H](C)C/C=N/OC(C)=O 653723255 HTHRSJXHGHXDLE-QDNLSJJCSA-N 374.525 5.209 50 1 FKGF CCC=C[C@H](CC)CC=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356868869 XFGVHASPCNQRND-YOUFYPILSA-N 352.515 5.384 50 1 FKGF N#Cc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1O 587188196 OVASFJURXFASRH-UHFFFAOYSA-N 361.295 5.465 50 1 FKGF CC[C@@H](C)c1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419060 WKDXTJXWVVHJMR-XJDIIYGHSA-N 370.876 5.090 50 1 FKGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CCCl)cc1)CC2=O 587458681 DXPPHGNIJSMKBJ-NRFANRHFSA-N 358.865 5.007 50 1 FKGF C=C1CC[C@@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356433018 TZEMMCWTQQXORZ-HIFRSBDPSA-N 360.133 5.741 50 1 FKGF CCCCCCCCCCCCCCCC(=O)OCCBr 43382019 PJLSBYYRTNXSCE-UHFFFAOYSA-N 363.380 6.406 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 136912569 QRDHVGGKSGYWJG-LEAACJGRSA-N 368.558 5.854 50 1 FKGF Fc1cc2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c2cc1Cl 587628326 KJUJWQUYWKVMQE-UHFFFAOYSA-N 352.192 5.137 50 1 FKGF COc1cc2c(cc1OC)[C@H](Cl)C(c1ccc(Cl)cc1)=C2Cl 5811999 BURBDTYLYNEQGN-INIZCTEOSA-N 355.648 5.758 50 1 FKGF C=CCO/C(O)=C1\C(C)=NC(SCC)=C(C#N)[C@@H]1c1ccc(Cl)cc1 17464198 IQMVJFVQLOPOGH-PJCCXHTNSA-N 374.893 5.359 50 1 FKGF N#C/C(=C(/N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1 38145323 DMKGRNLTLCBKNK-DYTRJAOYSA-N 359.454 5.004 50 1 FKGF C=C(c1ccc2ccc3ccccc3c2c1)[C@H]1COC2(CCCCC2)OO1 44005794 VFUFIMNZDALDJY-HSZRJFAPSA-N 360.453 6.014 50 1 FKGF CCCC[C@H](CC)C[C@H](CC)C[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 205150021 JHXUIUBDCUTACR-HVAMYJMISA-N 370.574 6.379 50 1 FKGF Cc1nc(C)c(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587012097 NYYHDUTXCRVNEU-UHFFFAOYSA-N 369.384 5.884 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCCl)c1ccc(F)cc1 963260014 VPYXAXOOQRYKJB-JPYJTQIMSA-N 373.943 6.135 50 1 FKGF CC1(C)[C@H]2CCC(/C=C\N=C(Cl)Cl)=C[C@@]2(C)C[C@H](O)[C@@H]1Cl 140143857 UGFPVWDJDIORFX-VAMATLSTSA-N 350.717 5.075 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@]43C)[C@H]1C[C@H](Br)C2=O 253633506 GSOJBPSBUAABDR-FIAUESIKSA-N 351.328 5.282 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(CBr)c(Oc3ccccc3)c2c1 587639029 MQPIBBZCRLRQAY-CYBMUJFWSA-N 358.279 6.369 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(Br)c(CCl)c1 587900124 ICQYENSWUIILHB-UHFFFAOYSA-N 370.073 5.250 50 1 FKGF C=C(Cl)[C@](Cl)(CBr)CCC(Br)=C(C)C 43919970 QOZBNRJYHFRDPQ-SNVBAGLBSA-N 364.936 5.580 50 1 FKGF biogenic COc1ccc(Cl)cc1C#Cc1cccc(-c2nc(CCl)cs2)c1 587920810 NLBLGASWWIQTFU-UHFFFAOYSA-N 374.292 5.611 50 1 FKGF CCCCCCCCCCC[C@H](Cl)CCOc1ccc(C(=O)O)cc1 169340486 RYADFVXFYZPHKU-IBGZPJMESA-N 368.945 6.682 50 1 FKGF COc1ccc(Cl)cc1C#CCc1cc(C)cc(CBr)c1 587898503 LPKBIQBINVALGR-UHFFFAOYSA-N 363.682 5.146 50 1 FKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC[C@@H](O)CCl)cc1 27518008 JQOMWCZEDJNCPH-TYPHKJRUSA-N 362.897 5.058 50 1 FKGF C[C@]12C[C@H]1CC[C@@]1(C)C3=CC[C@](C)([C@H](Br)CO)C[C@H]3CC[C@H]21 34742961 IGLAYEXSNKYXCA-IZSQIBBJSA-N 367.371 5.321 50 1 FKGF Fc1ccc(C2=C[C@H]3OC4(CCCC4)OO[C@@]3(c3ccc(F)cc3)C2)cc1 605316 XOTXRFZXHHSRTQ-IFMALSPDSA-N 370.395 5.265 50 1 FKGF CC/C=C/[C@H](CC)C/C(C)=C/[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 1663433 QTIPTWPLMFIHPM-KBYMKNFISA-N 352.515 5.685 50 1 FKGF CCCCCCCCCC[C@@H](O)OO[C@@H](O)CCCCCCCCCC 85853150 VEYILLKIIREXIX-SZPZYZBQSA-N 374.606 6.633 50 1 FKGF biogenic C=C[C@@](Cl)(CBr)CC[C@H](Cl)C(C)(C)Br 85855467 VHVSYKNPIGTGLL-WPRPVWTQSA-N 366.952 5.106 50 1 FKGF biogenic CCCCOc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008594 PSVPSVGJUNKTOW-SECBINFHSA-N 366.086 5.023 50 1 FKGF CC(C)=CCCC(C=O)=CCCC(C)=CCc1cc(O)ccc1C(=O)O 2356480681 MDFMOTWFZGDCJF-UHFFFAOYSA-N 356.462 5.231 50 1 FKGF ClCCN(CCCl)/C(=C\c1ccccc1)c1ccnc2ccccc12 38142132 JAYJTDVJAKDZGZ-PGMHBOJBSA-N 371.311 5.513 50 1 FKGF COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@@H](OO)C[C@H]12 238775586 SQMPESDKZQIIDS-LONYAEPCSA-N 350.499 5.153 50 1 FKGF CCO/C=N\C1=C(C#N)[C@H](c2ccc(F)cc2)c2ccc3ccccc3c2O1 104476299 ATWOYXPFZDJQSL-WZRHPCBOSA-N 372.399 5.303 50 1 FKGF COc1cccc(C)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587787359 RTLNQUTWBBTQSI-UHFFFAOYSA-N 364.339 6.204 50 1 FKGF C[C@@H]1CC[C@H]2CCO[C@@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 43379663 KQRWFKXRJIUUEU-ARQYYYJSSA-N 372.505 5.015 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356506330 JVFCDVVUSGATTM-UDGWLPKNSA-N 370.574 6.078 50 1 FKGF O=P1(c2ccccc2)Nc2ccccc2SSc2ccccc2N1 1616876 YYULIQYMLPUXTK-UHFFFAOYSA-N 370.439 5.842 50 1 FKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCCCC2)OO1 43617430 YQZLYRMDXWWMOF-JOCHJYFZSA-N 350.458 5.764 50 1 FKGF C=C[C@@]1(C)CC[C@H]2C3=C1C=C(C#N)C(C)(C)c1[nH]c4cccc(c4c13)C2(C)C 238741909 WBJRBYKJNBYZBT-QLXKLKPCSA-N 368.524 6.556 50 1 FKGF CCCCCCC[C@H]1C[C@H](Cl)CCN1S(=O)(=O)c1ccc(C)cc1 44069714 UKKVISVMXLEGHC-MSOLQXFVSA-N 371.974 5.116 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 44307604 PNXRNGKSFMKWQG-XLIFZOOWSA-N 356.547 5.989 50 1 FKGF [C-]#[N+][C@@]1(C)[C@H]2CC[C@H]3[C@@H]4[C@@H]2[C@@H](C[C@H](C)[C@H]4CC[C@]3(C)N=C=S)C[C@H]1C 55834246 OVOQMOBJDDOIFC-OXEUSEQRSA-N 356.579 5.890 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Cl)cc1)CC2=O 587460592 NPWDTXHBJWNOIO-LJQANCHMSA-N 365.256 5.098 50 1 FKGF CC(C)c1ccc(Oc2ccc3c4c(cccc24)C(=O)C3=C(C#N)C#N)cc1 95591519 UDVBMMDZBKGNTP-UHFFFAOYSA-N 364.404 5.753 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356506332 JVFCDVVUSGATTM-YIUJWAEMSA-N 370.574 6.078 50 1 FKGF Cc1cc(/C=C/C#N)ccc1Nc1ccc(F)c(Nc2ccc(C#N)cc2)c1 149509142 GNSZRQKOEXOWIH-NSCUHMNNSA-N 368.415 6.030 50 1 FKGF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960784 BPQIXYNWUQKBST-IUCAKERBSA-N 354.344 5.378 50 1 FKGF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C1 587970100 YNVRUBYLGYEWNJ-GHMZBOCLSA-N 368.415 7.150 50 1 FKGF CCCCCCCCCSC(=S)NNC(=O)c1ccc(Cl)cc1 43411605 AMCMVAPOTCUIAK-UHFFFAOYSA-N 372.987 5.343 50 1 FKGF CC/C=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)OO 109339426 BNHQALRBDJVUQB-NGHKTGSUSA-N 360.494 6.017 50 1 FKGF S=C=N/C=C\CCCCCCCCCCCCCCCCN=C=S 137923576 QGYAHYNDXXEKGZ-ICFOKQHNSA-N 366.640 7.557 50 1 FKGF CCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497575 JGOCEKRNCZNFQE-IQMFZBJNSA-N 368.904 5.616 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)[C@H](C)Cl)c2c1 587638954 KSGVGBSFLLOCPS-KBPBESRZSA-N 354.881 5.914 50 1 FKGF CCOC(=O)C(C#N)=C1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 2356726854 YDVVOXNUMWFYCY-LVARZUFQSA-N 369.549 5.802 50 1 FKGF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4/C(C=O)=C/C[C@H]3[C@H]12 34081011 XAYQASOMEVLRKN-ATMNXUALSA-N 368.561 5.772 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c2c1 587639014 MPRVLFYFICACGY-NSHDSACASA-N 366.719 7.394 50 1 FKGF CCCOc1cc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)ccc1Cl 103286573 CMSZVFAXAJXNQJ-PPYMECGQSA-N 372.336 5.297 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)O2 587372936 OCNJMWBBYAJIAD-JLCFBVMHSA-N 371.908 5.363 50 1 FKGF CC/C=C/[C@H](CC)C/C(C)=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 44431535 BUJRRZDBOYIMBT-JMAJDSCYSA-N 366.542 5.774 50 1 FKGF C=C(c1ccc(F)cc1)[C@H]1OOC2(CCCC2)O[C@@H]1c1ccc(F)cc1 95582809 PIFIQRIRQYPSBF-WOJBJXKFSA-N 358.384 5.337 50 1 FKGF CC[C@@H](C)c1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419057 WKDXTJXWVVHJMR-FIRDEBMASA-N 370.876 5.090 50 1 FKGF OCCCCCCC1COOC2(CCCCCCCCCCC2)OOC1 138942869 CUFQCNWXARPQLM-UHFFFAOYSA-N 372.546 5.456 50 1 FKGF CCCCOc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008595 PSVPSVGJUNKTOW-VIFPVBQESA-N 366.086 5.023 50 1 FKGF Cc1ccc([C@@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496983 HAJRKPNAQXRXEU-JOCHJYFZSA-N 354.877 5.363 50 1 FKGF COc1ccccc1[C@H]1C(C#N)=C(C)N=C2C[C@H](c3ccccc3)CC(O)=C21 103867752 IAWHDYDBPJMHCT-SBUREZEXSA-N 370.452 5.421 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587188755 WFHYNUMNAVZHLS-XSFVSMFZSA-N 365.436 5.515 50 1 FKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587503457 GYKRWGPNXDPKJR-NRFANRHFSA-N 358.840 5.112 50 1 FKGF C[C@]1(CCl)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587325995 JBMUENFWPQXLHS-HMXCVIKNSA-N 374.839 5.058 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 2356671053 LXNOXMXZWPALFI-MEZWHVQBSA-N 352.515 5.685 50 1 FKGF C/C(=N\NC(=O)Nc1nc2c(ccc3ccccc32)s1)c1ccc(C)cc1 40407946 SJIUBKARJKVJOI-ZVHZXABRSA-N 374.469 5.304 50 1 FKGF CCCCCC/C=C\CCCCCCCCCCC/C=C/C(=O)/C=C/C=O 238752782 JNDAQUKZWISLHA-ZWTFPQFYSA-N 374.609 7.685 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCCl)c1ccc(F)cc1 963260016 VPYXAXOOQRYKJB-MBSDFSHPSA-N 373.943 6.135 50 1 FKGF O=C1C[C@H](c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 587500583 SNUKTFKDWXFJAZ-LJQANCHMSA-N 371.274 5.167 50 1 FKGF COC(=O)C[C@@H]1OO[C@@](C)(CC(C)=CC(C)=CCc2ccccc2)C[C@@H]1C 2356548920 JWRNNTZFDDYDJM-RRPUWOKSSA-N 372.505 5.190 50 1 FKGF C=C(C)[C@H](Br)C[C@@H](Br)/C(C)=C/C(Cl)Cl 85951796 KQHIOMQBBGDCNC-AOZRHXBJSA-N 364.936 5.230 50 1 FKGF Fc1cccc(F)c1/C=C/CSSC/C=C/c1c(F)cccc1F 473121623 QFHNRBLRQOMHPD-GGWOSOGESA-N 370.436 6.351 50 1 FKGF CN(C)c1ccc(C(=C(C#N)c2ccccc2)c2ccc(N(C)C)cc2)cc1 13650279 QAGURRVBZCVVOZ-UHFFFAOYSA-N 367.496 5.301 50 1 FKGF CCCCCCCCCCCCCCCCCCOOC(C)(C)OC 38158511 GIHGIWKVYUQVPA-UHFFFAOYSA-N 358.607 7.579 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586973970 PKBWOGICCMCYGT-GFCCVEGCSA-N 372.310 5.302 50 1 FKGF COc1ccc2cc(/C=N\NC(=O)Nc3cccc4ccccc34)ccc2c1 31870788 RGTUQRHEAZXGGG-IWIPYMOSSA-N 369.424 5.157 50 1 FKGF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OSSO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 169292286 ZTQOUQGOZHUYNV-UIQSMRFCSA-N 374.656 7.153 50 1 FKGF Fc1cc2c(-c3ccc(Br)cc3)c(CCl)[nH]c2cc1Cl 587628334 KVNQEIWRISNFPN-UHFFFAOYSA-N 373.052 6.129 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](Cl)c2ccccc2)cc1 587906205 UTMXXJROEDHHFY-QFIPXVFZSA-N 367.275 6.077 50 1 FKGF COOC1(OOCCCc2ccccc2)CCCCCCCCCCC1 38158832 GJRIJJDHPXXJME-UHFFFAOYSA-N 364.526 6.146 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)ccc1C)([C@@H](C)Cl)CC2=O 587459648 OQLIPMTZZUYHCG-QRQCRPRQSA-N 372.892 5.450 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c2c1 587639012 MPRVLFYFICACGY-LLVKDONJSA-N 366.719 7.394 50 1 FKGF Fc1ccc(C[C@H](Br)c2cc3c4c(cccc4n2)CC3)c(F)c1 587210404 RBAHAIWZUDXZEN-HNNXBMFYSA-N 374.228 5.290 50 1 FKGF CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(C)c3ccccc3CC[C@H]2[C@H]1CO 1772611993 HGZKCRCRUVPUTB-UGGKCQTMSA-N 360.614 5.299 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 299860681 GYRKWFDTBLWQLV-HSZRJFAPSA-N 368.480 5.481 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587188276 OVPRKWDKTQWFDO-LGMDPLHJSA-N 353.450 5.778 50 1 FKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)cs2)N1 587848690 PNDYEINUOSXLHT-ANRSDYALSA-N 374.706 5.012 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1)CC 2356754490 HGRUNRAUYWALHI-ZJDLJICXSA-N 366.542 6.076 50 1 FKGF C=C[C@@](C)(Cl)[C@@H](Cl)/C=C/C(=C\Cl)[C@H](Cl)Br 59778269 ZMUWHDFETXWZJR-YUAZWHQNSA-N 352.914 5.416 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587187491 HNJMEZSDXVJBKC-RIYZIHGNSA-N 352.235 5.006 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@H]1CC=C2CCCCC[C@H]2C1 1622528 IZFJIOPRYIDKFO-REWPJTCUSA-N 350.442 5.670 50 1 FKGF C=C(c1ccc(F)cc1)[C@H]1OOC2(CCCCC2)O[C@@H]1c1ccc(F)cc1 95583611 VMSLUYPPNDZZLV-NHCUHLMSSA-N 372.411 5.727 50 1 FKGF CC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356807494 XVBFWNDVKMZFNW-VDRZXAFZSA-N 354.531 5.464 50 1 FKGF N#C/C(C(=O)Nc1ccc(/C=C\c2ccc(Cl)cc2)cc1)=C(/O)C1CC1 101620242 YNTMYIJMGKWPBD-SKSIYUIESA-N 364.832 5.195 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC)s1)CC2=O 587495905 VLYOVWDSFGJCEH-IBGZPJMESA-N 364.894 5.068 50 1 FKGF CC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)CC(/C=C/N=C(Cl)Cl)=CC[C@@H]12 40829473 JOJUODIBULSKBG-NNYSSPGYSA-N 350.717 5.075 50 1 FKGF CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 104695981 QLOAAYOKQMRPIZ-AOMKIAJQSA-N 374.871 6.065 50 1 FKGF Fc1ccccc1CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587148353 BOJDGHXATASMLJ-UHFFFAOYSA-N 366.330 6.145 50 1 FKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(OCC)cc1 963236286 XYEMTZWGWDNZTJ-JTSKRJEESA-N 357.925 5.224 50 1 FKGF CCOC(=O)C(C#N)=C1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 2356726853 YDVVOXNUMWFYCY-DAXRXAIRSA-N 369.549 5.802 50 1 FKGF CCC(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)[C@@H](CC)O[Si](C)(C)C(C)(C)C 2356744279 RNTPIUHADNCTHQ-DZIWXPPMSA-N 372.622 5.312 50 1 FKGF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl 3814531 JMRUQNZCPMKHCP-UHFFFAOYSA-N 371.695 5.404 50 1 FKGF C=C(Cl)C(=CBr)CC[C@H](Br)C(C)(C)Cl 2356562709 AWTHGCZBYVEAJW-VIFPVBQESA-N 364.936 5.579 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)O2 587372939 OCNJMWBBYAJIAD-RCDICMHDSA-N 371.908 5.363 50 1 FKGF CCCCCCCCc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 43872150 HYBVTVLGTCHHPW-JJIBRWJFSA-N 367.493 5.384 50 1 FKGF COc1cc2c3c(c1)O[C@@](C)(c1c(C)cc(C)c(CCl)c1C)[C@@H](C2)C3=O 587422674 RDZZGKYIMKUWPA-HTAPYJJXSA-N 370.876 5.022 50 1 FKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCCCC2)N1 587683935 ILFGXDWBANBMEC-DIFFPNOSSA-N 374.725 5.137 50 1 FKGF C=C[C@]1(C)CC[C@@H]2C3=C1C=C(C#N)C(C)(C)c1[nH]c4cccc(c4c13)C2(C)C 2356473171 WBJRBYKJNBYZBT-WGDIFIGCSA-N 368.524 6.556 50 1 FKGF CCC(=O)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)[C@H](CC)O[Si](C)(C)C(C)(C)C 2356744281 RNTPIUHADNCTHQ-JWWIWJDOSA-N 372.622 5.312 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1857592023 VJVVANSJMRJZQO-GOSISDBHSA-N 362.772 5.246 50 1 FKGF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NC(=O)CCl)c3[C@@H](C1)C2 45299686 DAJXAQSGQWQMMX-NEPJUHHUSA-N 361.272 5.062 50 1 FKGF Cc1coc2c1c(=O)oc1c3cccc([C@H](C)Br)c3ccc21 45356999 IHGFNDUSJSVNGL-JTQLQIEISA-N 357.203 5.457 50 1 FKGF CC(=CC[C@H](Br)C(C)(C)Cl)[C@@H](Cl)CBr 2356328011 MWVIFUOYXAVDRG-IUCAKERBSA-N 366.952 5.106 50 1 FKGF CCC=C[C@H](C=C(C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)CC 2356479513 SRXLLJDSYPTQNE-FCIYXJNOSA-N 366.542 5.774 50 1 FKGF C=CCc1cccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c12 586974250 UCIAVCKMGFSULW-CYBMUJFWSA-N 355.279 5.338 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](C)[C@H](CC(=O)OC)OO1 2356825466 HSLUDOOKUCRWPK-MFPFFRNPSA-N 354.531 5.464 50 1 FKGF CC1(C)[C@H](Cl)[C@H](O)C[C@@]2(C)C=C(C=CN=C(Cl)Cl)CC[C@H]12 2356505904 UGFPVWDJDIORFX-BRXULGCHSA-N 350.717 5.075 50 1 FKGF C[C@]1(c2cccs2)CC(c2ccc(-c3ccccc3)cc2)=CC=C1C=O 40834973 ZEEUCCHTSYDOEA-DEOSSOPVSA-N 356.490 6.285 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(CCCl)[nH]c2c1 587625160 DDUGNMMMWQIKIH-UHFFFAOYSA-N 364.116 5.726 50 1 FKGF C=C(CCC=C(C)CC[C@H]1OC1(C)C)[C@@H](Cl)CN=C(Cl)Cl 2356466773 SGSUCMPCVPXNFI-UONOGXRCSA-N 352.733 5.668 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(C)cc1)CC2=O 587458667 DTLWODVKGQFDTP-OAQYLSRUSA-N 358.865 5.143 50 1 FKGF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCBr 587625136 CTYABOAIKQFZCM-UHFFFAOYSA-N 374.122 5.451 50 1 FKGF CO[C@@H]1O[C@]2(c3ccc(-c4ccccc4)cc3)CC[C@H]3CCCC[C@@]31OO2 38153525 DESRHEDRYODNTQ-JMJGKCIBSA-N 366.457 5.180 50 1 FKGF Fc1ccc2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1Cl 587627815 BCFXVBAKBXIRNH-UHFFFAOYSA-N 352.280 6.167 50 1 FKGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3ccc(F)c(Cl)c23)cc1 587628633 PEDNCNPPCUEXEF-UHFFFAOYSA-N 352.192 5.292 50 1 FKGF CCCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C=C(C#N)C#N)c2c1 35088778 VARGKODZHNYZGE-UHFFFAOYSA-N 369.468 6.007 50 1 FKGF CCOC(=O)c1c([C@H](C)Br)[nH]c2ccc([C@@H](C)CC)cc12 587639549 ZKTZSQSHWFBPJQ-QWRGUYRKSA-N 352.272 5.314 50 1 FKGF COc1ccccc1[C@@H]1C(C#N)=C(C)N=C2C[C@@H](c3ccccc3)CC(O)=C21 103867746 IAWHDYDBPJMHCT-UZUQRXQVSA-N 370.452 5.421 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 299808042 GMAAJLJNAMIUSD-JEEBJRHZSA-N 368.558 5.998 50 1 FKGF CC(=O)OOCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356421294 FJOYMCJYEZOBCF-PMACEKPBSA-N 354.575 6.867 50 1 FKGF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@H](OO)C[C@@H]21 2356607827 SQSOIDXJDSZGJH-SYMZDILHSA-N 352.515 5.233 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1C=CCC=CCC=CCCCC(=O)O 2356564723 ZPCHFWGBCMRNFG-MUPNANLLSA-N 352.902 5.111 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587188383 QYTGOXWCMTYPDC-SDQBBNPISA-N 372.653 5.351 50 1 FKGF C=C1CC[C@@]2(NC)[C@@H]3[C@@H]1[C@@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@H]2C 2356824096 GSCYNRKLOLKIAF-WTYFSNFJSA-N 360.611 5.501 50 1 FKGF Fc1cccc(F)c1C[C@H](Br)c1cc2c3c(cccc3n1)CC2 587210251 LFIMTLODWRMGTA-AWEZNQCLSA-N 374.228 5.290 50 1 FKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCl)(c2ccc(C)cc2)N1 962949044 PARSGYCSCDCETH-HTAPYJJXSA-N 352.909 5.273 50 1 FKGF C[C@@H]1CC[C@@H]2CCO[C@@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 169340795 KQRWFKXRJIUUEU-HVUVFYDKSA-N 372.505 5.015 50 1 FKGF Cc1cc(Cl)cc2c(-c3ccc(Br)cc3)c(CCl)[nH]c12 587623715 MIYXPOTXKKCBHS-UHFFFAOYSA-N 369.089 6.298 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CCCCl)s1 587921013 RYWHETJZTIPHCU-UHFFFAOYSA-N 353.270 5.012 50 1 FKGF O=C(O)c1cccc2c(-c3ccc(Br)cc3)c(CCl)[nH]c12 587637830 FMPZGLJOBPHDTM-UHFFFAOYSA-N 364.626 5.034 50 1 FKGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1Cl 1857552533 KDMDRMHBKGQDHN-GOSISDBHSA-N 367.235 5.365 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)C#N 2356333601 UAMLJAIZEUCBHU-XGDFDNKFSA-N 356.579 6.052 50 1 FKGF CCCC[C@@H](CC)C[C@@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44388268 PGURXSLSPSOJSS-PLOVASNDSA-N 354.531 5.909 50 1 FKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CC(C)(C)CC2=N1 103521310 HWQYRDUFQNSGGY-KRWDZBQOSA-N 360.379 5.673 50 1 FKGF CCC=C[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356608368 MRRHNAZUVJWYGY-SXFAUFNYSA-N 368.558 6.155 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)c(C)c(C)c(C)c1C)O2 587373978 VAFGELBUQBOOPS-QFIPXVFZSA-N 371.908 5.219 50 1 FKGF Cc1ccc(NC(=O)N/N=C2\CC3(CCCCC3)Oc3ccccc32)cc1 1857651874 JDYMRNWRGWEZLI-LYBHJNIJSA-N 363.461 5.006 50 1 FKGF CCCCC/C=C\C[C@@H](/C=C/C=C/C=C/[C@@H](CCCC(=O)O)OO)OO 102185560 FZVYTGLHRWEILG-VYVVZZAKSA-N 368.470 5.153 50 1 FKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)cs2)N1 587844469 AQUJYNBWYFYBDU-VXJOIVPMSA-N 374.706 5.012 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 103523803 RAGMUWDWTFLTAS-QGZVFWFLSA-N 361.272 5.961 50 1 FKGF C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@H](O)[C@H]4/C(C=O)=C/C[C@H]3[C@H]12 169293303 FUDYGCNPEYKGHX-POPUDQMHSA-N 370.577 5.564 50 1 FKGF N#Cc1ccc(Nc2nccc([C@H](Cl)c3cccc(Cl)c3)n2)cc1 169348987 RBTQEIIRCWHEQI-QGZVFWFLSA-N 355.228 5.073 50 1 FKGF CO[C@]1(C)OC[C@@]2(C)O[C@H](C)[C@@]1(C)[C@H]2O[Si](C(C)C)(C(C)C)C(C)C 299814485 IUOBFSFZOAAPND-UJMXGEILSA-N 372.622 5.124 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587188414 RUCHCBBZEVJPIQ-ATVHPVEESA-N 366.424 5.310 50 1 FKGF C=C(CCC=C(C)CC[C@@H]1OC1(C)C)[C@H](Cl)CN=C(Cl)Cl 2356466772 SGSUCMPCVPXNFI-KGLIPLIRSA-N 352.733 5.668 50 1 FKGF CCC=CC[C@@H](C=CC=CCC=CCC=CCC=CCCC(=O)O)OO 2356342626 BNHQALRBDJVUQB-NRFANRHFSA-N 360.494 6.017 50 1 FKGF CCCCCCCCCCC[C@@H](Cl)CCOc1ccc(C(=O)O)cc1 169340484 RYADFVXFYZPHKU-LJQANCHMSA-N 368.945 6.682 50 1 FKGF N#Cc1ccc2[nH]cc(-c3[nH]c4ccc(F)c(Cl)c4c3CCCl)c2c1 587628331 KSCJXSGRWKJLBY-UHFFFAOYSA-N 372.230 5.762 50 1 FKGF O=[N+]([O-])c1ccc2c(-c3ccc(Br)cc3)c(CCl)[nH]c2c1 587644293 SWVHBFMMPGUIBM-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCCC2)[C@H]1c1ccc(F)cc1 587325972 IWLXUYQKLVHDOZ-PZJWPPBQSA-N 374.839 5.058 50 1 FKGF CN(C)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)nc1 587194436 GBKCLCZHAPTQEJ-UHFFFAOYSA-N 364.343 5.348 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc3ncccc3c2[nH]1 586973756 NYGRIBZWUQXIAX-LBPRGKRZSA-N 366.262 5.158 50 1 FKGF Oc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1 587053546 FHKQGBCHFPAJAF-UHFFFAOYSA-N 370.730 6.246 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 2356671054 LXNOXMXZWPALFI-MHYXUVESSA-N 352.515 5.685 50 1 FKGF C=C(Br)[C@@](C)(Cl)CC[C@@H](Br)C(C)(C)Cl 1637611 BCDTUPZZPAMTHE-SCZZXKLOSA-N 366.952 5.454 50 1 FKGF CC1=C(OCCCCCCCCCCBr)[C@@H](C)SC1=O 28339168 MNORWBLKPFKWTP-CQSZACIVSA-N 363.361 5.455 50 1 FKGF C=C1CC[C@@]2(C)[C@H](C=CCC[C@H]1C(C)C)[C@@](C)(O)CC[C@H]2Br 2356581096 KKTOETZBFFCICP-KNJMJIDISA-N 369.387 5.876 50 1 FKGF Cc1c(SSc2c(C)c3ccccc3n2C)n(C)c2ccccc12 13740087 LFPNZTJLTAKKLM-UHFFFAOYSA-N 352.528 6.086 50 1 FKGF CCOC(=O)c1c(O)coc1Nc1ccc(S(F)(F)(F)(F)F)cc1 169730402 ICDQGJJKHCFCFA-UHFFFAOYSA-N 373.299 5.563 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1CCl 587901248 XDDQLYUAJZOEDN-UHFFFAOYSA-N 370.073 5.250 50 1 FKGF CCCC[C@H](CC)CC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC 2356634244 CIIHSLMHCIOPNX-WCCBULMPSA-N 368.558 6.300 50 1 FKGF N#CSCCCCCCC[C@@H](O)CCCCCCCCSC(N)=O 14766228 ZCGOXPWOWHLTBM-KRWDZBQOSA-N 374.616 5.445 50 1 FKGF biogenic Oc1ccc2c(c1)[C@H](c1ccccc1S(F)(F)(F)(F)F)NCC2 963341157 LZSWALODZIEANO-HNNXBMFYSA-N 351.340 5.285 50 1 FKGF Cc1ccc(C2=C[C@H]3OC4(CCCC4)OO[C@@]3(c3ccc(C)cc3)C2)cc1 169324610 FMWPJIYFBZOWTF-ISKFKSNPSA-N 362.469 5.603 50 1 FKGF FS(F)(F)(F)(F)c1ccc2nc(/C=C/CBr)[nH]c2c1 586974224 SWRFYOYDQYPGEU-OWOJBTEDSA-N 363.149 5.628 50 1 FKGF COc1ncc(F)cc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587176059 KXYMCNSQIVGIPV-UHFFFAOYSA-N 369.290 5.430 50 1 FKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CCl)C2(C)C 587462390 YXFDQTGZPJGCDP-HBUDHLSFSA-N 362.897 5.114 50 1 FKGF CC(=NNC(N)=O)C1=CC[C@@]2(C)[C@H]3CCC4=C(CCC4(C)C)[C@@H]3CC[C@@H]2C1 2356535753 IYDBAKSZTCQSKT-VMXDCPSBSA-N 369.553 5.310 50 1 FKGF O=C(O)C1=Cc2cc(S(F)(F)(F)(F)F)ccc2O[C@@H]1C(F)(F)F 1772586316 QVPDRFYJQHCIEB-VIFPVBQESA-N 370.217 5.135 50 1 FKGF CC(=CC=Cc1ccccc1)C(=O)OC(=O)C(C)=CC=Cc1ccccc1 2356621189 RJPHSRPXVGEXPC-UHFFFAOYSA-N 358.437 5.376 50 1 FKGF CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1C 587922887 YOEPEPOOEMOUOT-WOJGMQOQSA-N 365.477 5.842 50 1 FKGF C=C(CC[C@@H]1C(=C)CC[C@H](Cl)C1(C)C)[C@@H](Cl)CN=C(Cl)Cl 14140722 FLQWJRAWXIZXCK-RDBSUJKOSA-N 371.179 6.364 50 1 FKGF biogenic Cc1ccc2c3c(cc([C@H](C)Br)nc13)-c1ccccc1C2=O 586993003 GYQGXHFOFIMNTP-NSHDSACASA-N 352.231 5.211 50 1 FKGF Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587498930 QVFQORGBVPPYDF-JOCHJYFZSA-N 354.877 5.282 50 1 FKGF C=C[C@@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H](c2c[nH]c3ccccc23)[C@H]1N=C=S 34239070 GRQUFNAGGOBDNI-GRARQNNCSA-N 370.949 6.119 50 3 FKGF C[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 587080577 WOMZCMHODIBWLH-SSDOTTSWSA-N 372.750 5.680 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CCCl)cc1)CC2=O 587458684 DXPPHGNIJSMKBJ-OAQYLSRUSA-N 358.865 5.007 50 1 FKGF C[C@@H](Cl)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495382 CVECKRJPCMZITA-IVZQSRNASA-N 354.877 5.139 50 1 FKGF Cc1ccc(C)c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498031 NPDBKWQZLBDEIY-QMHKHESXSA-N 368.904 5.670 50 1 FKGF C=C1CC[C@@H]2[C@@H]3[C@H](CC[C@]2(C)C#N)[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@@H]13 2356333600 UAMLJAIZEUCBHU-SIJKCRPHSA-N 356.579 6.052 50 1 FKGF C1=C[C@H](C23CC4CC(CC(C4)C2)C3)OO[C@@H]1C12CC3CC(CC(C3)C1)C2 44070128 ZWVJBUCKORKAGQ-MMRKOINESA-N 354.534 5.674 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(Cl)c1 587898671 OPEUHJMNWCQMBF-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF Cc1cc(Cl)cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c12 586973160 FZDRLWADILFRDO-NSHDSACASA-N 363.686 5.571 50 1 FKGF O=C1C[C@@](CCCCl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587499618 WIUACABEYWKBJJ-QFIPXVFZSA-N 354.877 5.445 50 1 FKGF CC(C)C1=C2C=C3C(=C(C=O)[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@]354)C[C@@]2(C)CC1 2356739179 GZIOHXRVLOOKSP-DMYFRGEJSA-N 350.546 6.411 50 1 FKGF CC(C)[C@@H]1CC=C2C[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)C[C@H]2[C@@H]1C 2356798584 SRJBAIOQMBORJG-OCTMDKCWSA-N 369.387 5.566 50 1 FKGF O=c1c([C@@H]2N=C(c3ccccc3)SS2)coc2ccc(Cl)cc12 43123320 FDDHNKHJQFHRAV-QGZVFWFLSA-N 359.859 5.287 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCl)c2c1 587639531 YZTCACMZNXVNNU-HNNXBMFYSA-N 353.937 7.385 50 1 FKGF COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@H]2Cl)cc1 1617194 WKDRHEQPUCIDRZ-QGZVFWFLSA-N 351.229 5.113 50 1 FKGF CC/C=C/[C@@H](CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 42834636 JOIXERUBSWWODE-LBXCVHGVSA-N 354.531 5.608 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)([C@@H](C)Cl)CC2=O 587457945 DWHXGTSVMXHGQN-PEBXRYMYSA-N 372.892 5.395 50 1 FKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Cl)CCCCC[C@H]1Cl 587458859 BRFUQKFRPTYEQK-DZFIZOCASA-N 371.304 5.228 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586974266 UKINNCSROHEXDC-SECBINFHSA-N 367.649 5.402 50 1 FKGF O=C1C[C@](CCCl)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505656 POJVIJLXCAGMNG-OAQYLSRUSA-N 358.840 5.194 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(CCl)cc1C(F)(F)F 587914114 YPKIGNLHBCWEHC-UHFFFAOYSA-N 359.174 5.506 50 1 FKGF Cc1cccc(C(=O)NNc2c3ccccc3nc3c(C)c(C)ccc23)c1 29046485 OJUUVRQHCLTVOX-UHFFFAOYSA-N 355.441 5.070 50 1 FKGF C[C@@H](CCCCCC/C=C/c1ccccc1)C[C@@]1(C)C[C@@H](C)[C@@](C)(O)OO1 49775138 WLSHRUVGKAXXOJ-IILFPUJKSA-N 374.565 6.522 50 1 FKGF Nc1c(F)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F 587135057 RGMRPXCBWGWIFZ-UHFFFAOYSA-N 371.281 5.748 50 1 FKGF O=C1C[C@](CCCCl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587499616 WIUACABEYWKBJJ-JOCHJYFZSA-N 354.877 5.445 50 1 FKGF CC(C)c1ccc(Oc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1 2382250047 LFNITXABPNCLBT-UHFFFAOYSA-N 368.216 5.497 50 1 FKGF C[C@@H]1CC[C@@H]2CCO[C@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@]32OO4 195244242 KQRWFKXRJIUUEU-QTQYAOCESA-N 372.505 5.015 50 1 FKGF CCCCC[C@H](C=CC=CCC=CC=C[C@@H](CCCC(=O)O)OO)OO 2356745665 PCIOUQYHTPPZEM-MOPGFXCFSA-N 368.470 5.153 50 1 FKGF C=C(Br)[C@@](C)(Cl)CC[C@H](Br)C(C)(C)Cl 1637612 BCDTUPZZPAMTHE-WPRPVWTQSA-N 366.952 5.454 50 1 FKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C(=O)OC(=O)[C@@H]4[C@@H]3CC[C@@]21C 72175980 NTYQXNRBFFRZQY-UTYKDTIQSA-N 372.549 5.537 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)OO 584879850 ISPMDQHJXOPONJ-RUPKWMQGSA-N 362.510 6.241 50 1 FKGF in-vitro CCCCCCCCCCCCC(=O)/C=C/CCCOC[C@@H](O)CCl 73200016 UMEFNQFOPOLYRU-WMJZSHNHSA-N 374.993 5.819 50 1 FKGF Cc1c(F)ccc2c1[C@](CCCCCl)(c1ccc(Cl)cc1)NCC2 962376758 QMMQENBINSICHD-FQEVSTJZSA-N 366.307 5.586 50 1 FKGF C=C1CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@H]2/C=C/CC[C@H]1C(C)C 140186285 KKTOETZBFFCICP-MHWAOMTHSA-N 369.387 5.876 50 1 FKGF O=[N+]([O-])c1ccc2c(CCl)c(-c3ccc(Br)cc3)[nH]c2c1 587644545 ZPOABBYUTQCQPX-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF N#CC(=Cc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1 2356318315 FVTNGVPGRJZNKU-UHFFFAOYSA-N 357.265 6.181 50 1 FKGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2ccccc2)n1 195181120 QBUXQRCJNXKXDC-QZTJIDSGSA-N 361.558 5.619 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCCCCCC[C@@H]1Cl)O2 587382078 NJUWKLQEODRFPH-FPOVZHCZSA-N 363.929 5.803 50 1 FKGF CCC=C[C@H](CC)CC(=C[C@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1)CC 2356583371 RZRGZFAFBCXRPE-YUXAGFNASA-N 364.526 5.996 50 1 FKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)N=C=S)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 166758622 OEPGPFHWYCXFOB-XQOOQLJESA-N 356.579 6.200 50 1 FKGF C/C(=C\CBr)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 49757032 KQYUEKLNYFZILD-NBOAAFDKSA-N 359.436 7.767 50 1 FKGF CC1(C)[C@@H]2CC[C@@]1(CCl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587496488 DDRDZHMIRHQGBU-YDFBLROQSA-N 358.909 5.335 50 1 FKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)cs2)N1 587848691 PNDYEINUOSXLHT-AYVTZFPOSA-N 374.706 5.012 50 1 FKGF O=C1C[C@](CCl)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587497627 JMBUYHOUIZCUQM-FQEVSTJZSA-N 361.268 5.318 50 1 FKGF CCCC[C@H](CC)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356473560 JHXUIUBDCUTACR-UDGWLPKNSA-N 370.574 6.379 50 1 FKGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)CC[C@H]21 38895826 QNKOIQITFODMFG-RNDOZLNUSA-N 370.577 5.996 50 1 FKGF C[C@]1(c2ccc(Cl)s2)CC(c2ccc(Cl)s2)=CC=C1C=O 40974762 XUTNBCNPIVGIHG-INIZCTEOSA-N 355.311 5.987 50 1 FKGF N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)OC/C=C/c1ccccc1 103245101 OMLPEEUDQVQLHD-UYHGDYIZSA-N 358.224 5.157 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(F)c1N=C=S 587914892 ILSLHZBUFGTQBW-UHFFFAOYSA-N 352.217 5.275 50 1 FKGF O=C1c2ccccc2-c2cc([C@@H](Cl)c3ccc(F)cc3)nc3cccc1c23 587103059 DBJWRSMQNAJQCG-QFIPXVFZSA-N 373.814 5.914 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1N=C=S 587914001 SCWYNNWSYQLQQJ-UHFFFAOYSA-N 367.779 5.502 50 1 FKGF CC1(C)C(Br)=C[C@H](Cl)[C@@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl 238784487 ODQMAXOZRZQEKI-WPTOEGHWSA-N 368.142 5.238 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cc(C)c(CCl)c1C)O2 587375350 LJKGJNKLCHVYGX-NRFANRHFSA-N 357.881 5.122 50 1 FKGF COC(=O)[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Cl)CC[C@]21C 2356691707 UIZABROIEVWUKR-NITCWVKZSA-N 370.961 5.097 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587188445 SXBUOTIDVJASNN-MHWRWJLKSA-N 361.408 5.032 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(Cl)Cl)CC2=O 587457971 FCTGAZLWLDVYKX-LJQANCHMSA-N 365.256 5.009 50 1 FKGF CC(C)(C)[Si](C)(C)O/N=C\c1cccc(O[Si](C)(C)C(C)(C)C)c1 195497912 AIOQXSULGQLXLW-HKWRFOASSA-N 365.666 6.426 50 1 FKGF Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1F 587139751 UJWOYVZMQGOXEH-UHFFFAOYSA-N 353.291 5.609 50 1 FKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(CC13CC4CC(CC(C4)C1)C3)O2 587371927 IDBJEADMJKQDGK-QVLKYBFXSA-N 373.924 5.127 50 1 FKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1 38244596 PAUIQDPAEDELMC-HEZGKBSMSA-N 366.545 6.190 50 1 FKGF in-vitro CC(C)=C[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(CCCC[C@]5(C)[C@H]3CC[C@]12C)OO4 44386834 HSJVZKCDRVNGSG-YOYAZAHMSA-N 370.577 6.621 50 1 FKGF C[C@@]1(Cl)C[C@](C)(/C=C/Cl)[C@@H](Br)C[C@@H]1Br 145905965 IBWBTIUOMWLVDJ-WBSNBJSJSA-N 364.936 5.064 50 1 FKGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2ccco2)n1 195183335 WGBVZOGHFHXRQZ-GDBMZVCRSA-N 351.519 5.212 50 1 FKGF CSc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532440 MXMGVQSVCHHRCO-OAQYLSRUSA-N 372.917 5.387 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@@H](CC(=O)O)OO1 257478927 LXNOXMXZWPALFI-RRYPTBBLSA-N 352.515 5.685 50 1 FKGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587325973 IWLXUYQKLVHDOZ-TZIWHRDSSA-N 374.839 5.058 50 1 FKGF CC1(C)CCc2cc(C=C(C#N)C(C#N)=Cc3ccc(O)cc3)ccc2O1 2356671249 RTNSFMANFMBMKP-UHFFFAOYSA-N 356.425 5.010 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C/C=C/C=C/[C@@H](CCCC(=O)O)OO)OO 85966942 PCIOUQYHTPPZEM-PMPLPTHWSA-N 368.470 5.153 50 1 FKGF COc1cccc(-c2cc([C@H](Cl)C(C)=O)nc3c2oc2ccccc23)c1 587357329 GQMQNEMGNYSRNL-LJQANCHMSA-N 365.816 5.526 50 1 FKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)cs2)N1 587848693 PNDYEINUOSXLHT-VXJOIVPMSA-N 374.706 5.012 50 1 FKGF CCCCCCC=CC#C[C@@H](CCCCCC(=O)OC)O[Si](C)(C)C 2356480019 MQTXVZHDNPCALD-FQEVSTJZSA-N 366.618 5.860 50 1 FKGF CC(=CC[C@@H](Br)C(C)(C)Cl)[C@@H](Cl)CBr 2356328010 MWVIFUOYXAVDRG-DTWKUNHWSA-N 366.952 5.106 50 1 FKGF CCCCCC[C@H](Br)CCCCCCCCCCC(=O)O 33822350 OOXDKNSCVLIEIN-KRWDZBQOSA-N 363.380 6.706 50 1 FKGF CCC[C@H](Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 73332476 GXROZKSSJBDWAY-QFIPXVFZSA-N 366.466 5.919 50 1 FKGF Cc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499275 SBVMMBUNFRRLMU-WAIKUNEKSA-N 368.904 5.670 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)[C@@H](C)Cl)c2c1 587638956 KSGVGBSFLLOCPS-UONOGXRCSA-N 354.881 5.914 50 1 FKGF O=[N+]([O-])c1ccc2c(-c3ccccc3Br)c(CCl)[nH]c2c1 587643261 CCSLCKNYEZTVIC-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF [C-]#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C 59817084 DBOXZAYTFKDLHJ-CSOFANMDSA-N 372.556 6.896 50 1 FKGF in-vitro COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cl)CCC3)c1 587360950 VOKCRGKYJWMMGU-QGZVFWFLSA-N 363.844 6.273 50 1 FKGF C=C(c1ccc2ccccc2c1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43552505 HWXWPHSMMOSUGA-MAAZUEHGSA-N 362.469 5.352 50 1 FKGF CC[C@H](Br)/C=C/C(=O)N(Cc1ccc(Cl)cc1)CC(C)C 103279194 BXNAMMUBQPOZBE-VSGCLNPGSA-N 372.734 5.054 50 1 FKGF CC(=O)OOCC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356421295 FJOYMCJYEZOBCF-UXHICEINSA-N 354.575 6.867 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587187635 JXQXYNGCXGSGRU-SDQBBNPISA-N 361.754 5.608 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)cc(C)cc1C)CC2=O 587461036 VXRJSKUZGKTRNR-QFIPXVFZSA-N 372.892 5.369 50 1 FKGF N#CC1=C(Cl)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1857603602 UQTDWYOATMASPT-SFHVURJKSA-N 362.772 5.246 50 1 FKGF C[C@](Cl)(C=C[C@@H](Cl)[C@](C)(Cl)C=CBr)CCl 2356440090 NFUKOEFOLMOMIV-KXUCPTDWSA-N 354.930 5.292 50 1 FKGF C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C[C@@H](OO)C[C@]32C)[C@@]1(C)CCC(=O)O 238743237 JKZVRJBVBMTFCW-CHBSCGLWSA-N 362.510 5.455 50 1 FKGF CSc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586973315 HKDWTEXFFBWOLN-LLVKDONJSA-N 361.308 5.332 50 1 FKGF C=C1CC[C@@H]2[C@@H]3[C@H](CC[C@]2(C)NC)[C@H](C)C[C@H](CC(C)(C)N=C=S)[C@@H]13 2356855256 RBKFYCJWOLRTGL-KXXRVGCSSA-N 360.611 5.501 50 1 FKGF Cc1coc2c1c(=O)oc1c3cccc([C@@H](C)Br)c3ccc21 45356996 IHGFNDUSJSVNGL-SNVBAGLBSA-N 357.203 5.457 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)c1ccc(F)cc1)CC2=O 587466873 NSYNXFZBBTZDRP-VQTJNVASSA-N 362.828 5.188 50 1 FKGF CC(C)(C)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCCl)cc1 587637980 HRAZSUFNAFMVPB-UHFFFAOYSA-N 355.865 5.612 50 1 FKGF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)[C@@H](C)Cl 587625733 KVCGSZZQUZDWPN-RXMQYKEDSA-N 372.696 5.080 50 1 FKGF COc1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587933052 YMJIFCNOKWLTLQ-UHFFFAOYSA-N 364.339 5.820 50 1 FKGF N#C/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1 1772651257 WDLUMAPSABZVKW-UHLRBJCPSA-N 367.492 6.187 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 42875340 GMAAJLJNAMIUSD-RJOZEALSSA-N 368.558 5.998 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 44404471 LXNOXMXZWPALFI-UEAYNGQYSA-N 352.515 5.685 50 1 FKGF CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(CCl)s1 95582156 GJHRDLNVBUPPGF-IBGZPJMESA-N 368.889 5.282 50 1 FKGF Cc1ccc2c3c(cc(-c4ccc(N=C=O)cc4)nc13)-c1ccccc1C2=O 586995089 DYWLOMYEHAPBPX-UHFFFAOYSA-N 362.388 5.389 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587188203 PMWFTTDJXYGMPE-NTEUORMPSA-N 352.235 5.006 50 1 FKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cl)CCC3)c1 587360949 VOKCRGKYJWMMGU-KRWDZBQOSA-N 363.844 6.273 50 1 FKGF CC[C@@H](C)c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372483 LUOZUAGWVFRJDA-SPLOXXLWSA-N 357.881 5.190 50 1 FKGF O=[N+]([O-])c1cccc2[nH]c(CCl)c(-c3cccc(Br)c3)c12 587643940 KYEFOKPHKRQYGF-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356331881 UMRURYMAPMZKQO-XXNYBYSWSA-N 362.941 5.187 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2cnc(CCl)o2)cc1 587906324 AEVBUNYKUAUTMH-UHFFFAOYSA-N 358.224 5.142 50 1 FKGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(CCl)c12 587643543 GCEHAMPGNALOTF-UHFFFAOYSA-N 365.614 5.244 50 1 FKGF CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2C1=O 195210079 XOCRXNLLZJPLCG-UHFFFAOYSA-N 356.538 5.698 50 1 FKGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2cccc(Br)c12 1857652732 LTIUFYMDLWRRIE-OQLLNIDSSA-N 374.241 5.543 50 1 FKGF C[C@]1(C=CCl)C[C@](Cl)(CBr)[C@@H](Cl)C[C@H]1Cl 2356560544 UJTXKWHTNURSMJ-KATARQTJSA-N 354.930 5.126 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)sc1C)CC2=O 587489657 CWRHQNHTSMIQLC-IBGZPJMESA-N 364.894 5.123 50 1 FKGF CC1(C)C(Br)=C[C@H](Cl)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356413130 ODQMAXOZRZQEKI-RDCQKDKRSA-N 368.142 5.238 50 1 FKGF CCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1Cl 53294491 IMISQSHQJLNSJS-PTGBLXJZSA-N 364.961 6.491 50 1 FKGF CCCCCCC/C=C/C(=O)CCCCCCCC(=O)NCCCl 66075348 XRQMKNGHPJHDRD-SDNWHVSQSA-N 357.966 5.558 50 1 FKGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 103996259 IQTFVIWVQFBBHE-WMZHIEFXSA-N 354.453 5.721 50 1 FKGF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC(=O)CCl)cc1 27520567 PQOPNUJALFZELG-RTWAWAEBSA-N 360.881 5.266 50 1 FKGF O=C1C[C@@H](c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 587500582 SNUKTFKDWXFJAZ-IBGZPJMESA-N 371.274 5.167 50 1 FKGF COC(=O)C[C@@H]1OO[C@@](C)(C/C(C)=C/C(C)=C/Cc2ccccc2)C[C@H]1C 137643334 JWRNNTZFDDYDJM-MEOUUXEJSA-N 372.505 5.190 50 1 FKGF CC[C@H](C)c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372479 LUOZUAGWVFRJDA-LHSJRXKWSA-N 357.881 5.190 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCCl)c2c1 587639518 YQZTVVCJOBUGND-INIZCTEOSA-N 367.964 7.427 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356647483 ONPDZDNKLXUXLN-VDRZXAFZSA-N 354.531 5.765 50 1 FKGF C[C@](Cl)(C=C[C@@H](Cl)[C@](C)(Cl)C=CCl)CBr 2356688705 JQUYRIQWDHGFCY-KXUCPTDWSA-N 354.930 5.292 50 1 FKGF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1ccc(CCl)cc1 962373391 LRAPJNMCQRPWPI-NRFANRHFSA-N 370.949 5.147 50 1 FKGF N#C/C(=C\c1c[nH]c2c1ccc1ccccc12)c1ccc(Cl)c(Cl)c1 84733193 GTQCYAYYWIMLST-OQLLNIDSSA-N 363.247 6.692 50 1 FKGF Oc1cccc([C@@H](O)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586889858 HREKRJAZVFVMMN-CYBMUJFWSA-N 366.311 5.008 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CBr)[C@H](Br)C[C@@H]1Cl 2356582456 IRLVZQNJQWALFU-KATARQTJSA-N 364.936 5.064 50 1 FKGF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OSSO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 84756922 ZTQOUQGOZHUYNV-BZIXAJQCSA-N 374.656 7.153 50 1 FKGF Fc1cc2c(Oc3ccccc3)c(CBr)[nH]c2cc1Cl 587627569 CVRQETKKIYELHE-UHFFFAOYSA-N 354.606 5.648 50 1 FKGF CCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497573 JGOCEKRNCZNFQE-CMJOXMDJSA-N 368.904 5.616 50 1 FKGF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@@H](Br)[C@]1(C)CCC=C(C)C 2356793448 KNYOIQFIGFMYJD-YSTOQKLRSA-N 369.387 6.186 50 1 FKGF C[C@](Cl)(C=C[C@H](Cl)[C@@](C)(Cl)C=CBr)CCl 2356440089 NFUKOEFOLMOMIV-GUBZILKMSA-N 354.930 5.292 50 1 FKGF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587497204 HNHPAKDHNCJQPH-HXUWFJFHSA-N 356.849 5.019 50 1 FKGF N#CC(C#N)=Cc1ccc(C=C2SC3=C(SCCS3)S2)s1 1863821 LUBSUCOEWLYESD-UHFFFAOYSA-N 364.567 5.564 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCl)(C1CCC(F)(F)CC1)CC2=O 587464835 AUFZPHLBNXKKNE-SFHVURJKSA-N 372.839 5.113 50 1 FKGF CCCCC[C@@H](C=CC=CCC=CCC=CCCCC(=O)OC)OO 2356391129 RHUBLTIOJFCAFZ-FQEVSTJZSA-N 350.499 5.773 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@@H]1CC=C2CCCCC[C@@H]2C1 1622531 IZFJIOPRYIDKFO-NFBKMPQASA-N 350.442 5.670 50 1 FKGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@H]1COC2(CCCCC2)OO1 43356619 PFFOFGDYRXZZMP-FGZHOGPDSA-N 368.473 5.217 50 1 FKGF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NC(=O)CCl)c3[C@H](C1)C2 45299684 DAJXAQSGQWQMMX-NWDGAFQWSA-N 361.272 5.062 50 1 FKGF O=C(N/N=C/c1ccc(Cl)cc1)c1coc2c(Cl)cc(Cl)cc12 73313425 QVQNIOZFTACIGJ-IFRROFPPSA-N 367.619 5.157 50 1 FKGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587087928 YYNWMEFXMFQXDV-SECBINFHSA-N 373.575 5.419 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C)cc1C)CC2=O 587461110 WWWMCYPNIXJKOU-OAQYLSRUSA-N 358.865 5.061 50 1 FKGF Cc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587499272 SBVMMBUNFRRLMU-QMHKHESXSA-N 368.904 5.670 50 1 FKGF COC(=O)[C@H]1[C@@]2(C)CC[C@@H](Cl)[C@@](C)(CCC=C(C)C)[C@H]2CC[C@@]1(C)O 2356691704 UIZABROIEVWUKR-BZYBLJFLSA-N 370.961 5.097 50 1 FKGF Cc1oc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1[N+](=O)[O-] 587268673 IXQWWQRVVKADAI-UHFFFAOYSA-N 369.271 5.697 50 1 FKGF C[C@@H](Cl)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500333 BDIWLMIJGGFBEH-ASSNKEHSSA-N 358.840 5.193 50 1 FKGF CCCCCCCCCS/C(=N/N(C)C(=O)c1ccccc1)SC 43411552 DGSMCPCRSVAACR-FMQUCBEESA-N 366.596 5.876 50 1 FKGF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@H](Br)[C@]1(C)CCC=C(C)C 2356793444 KNYOIQFIGFMYJD-FUMNGEBKSA-N 369.387 6.186 50 1 FKGF Cc1cc(Cl)cc2c(SC#N)c(-c3ccccc3C(F)(F)F)[nH]c12 587624322 KUNRVFSGGPEHLL-UHFFFAOYSA-N 366.795 6.389 50 1 FKGF C[C@]12CC[C@H]3C[C@@]3(C)[C@@H]1CC=C1C[C@](C)([C@H](Br)CO)CC[C@H]12 238778399 VDXRCMLFWSJMDV-PIQGRLPUSA-N 367.371 5.321 50 1 FKGF Fc1ccc([C@]2(CCCl)NCCc3c(Cl)cc(Cl)cc32)cc1 963115182 ZVBQYUUKJQCWNI-KRWDZBQOSA-N 358.671 5.151 50 1 FKGF CC/C=C/[C@@H](CC)C/C(C)=C/[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 44431532 BUJRRZDBOYIMBT-PSFNYTPXSA-N 366.542 5.774 50 1 FKGF BrCc1ccc(Cn2c3ccccc3c3ccccc32)cc1 49071455 ZPUHKLCKRWFWAV-UHFFFAOYSA-N 350.259 5.738 50 1 FKGF N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/O)c1ccc(Cl)c(Cl)c1 101279385 WUXZNENUZHRDNX-QINSGFPZSA-N 367.619 5.078 50 1 FKGF CCCCCCCCC(=O)/C=C/CCCCCCC(=O)NCCCl 66098706 JMMBKDXLMJYNPS-NTCAYCPXSA-N 357.966 5.558 50 1 FKGF CC(=O)CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O 85858416 YXCSMIXCRWMTEC-UHFFFAOYSA-N 350.499 5.437 50 1 FKGF biogenic CC[C@H](O)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)[C@H](CC)O[Si](C)(C)C(C)(C)C 2356475243 USHKFRYKZHJYQN-DRCYAFTPSA-N 374.638 5.104 50 1 FKGF CC1=C[P@](=O)(c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC[C@@H]1Cl 1658027 YKROHLMVDKALAU-RDPSFJRHSA-N 366.913 6.960 50 1 FKGF N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637323 GOKDFWZNTIUFQT-UHFFFAOYSA-N 362.332 5.125 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(Oc3ccc(C(C)C)cc3)c2c1 587638921 JTVYPHNVOPUVMP-HNNXBMFYSA-N 355.909 7.336 50 1 FKGF C=C(C)[C@H](Br)C[C@H](Br)/C(C)=C/C(Cl)Cl 85951792 KQHIOMQBBGDCNC-CNTVWIKJSA-N 364.936 5.230 50 1 FKGF biogenic,in-vitro O=C1c2ccccc2-c2c(CCCl)c(-c3ccccc3)nc3cccc1c23 587104177 PMQDECBTQKNVLJ-UHFFFAOYSA-N 369.851 5.895 50 1 FKGF CC(C)(CCl)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587208864 CTFOFPZEAZWRPA-UHFFFAOYSA-N 364.876 5.204 50 1 FKGF BrCCCc1ccc(-c2ccc(-c3cccs3)s2)s1 1772644645 XTPDKQKVTYCLAF-UHFFFAOYSA-N 369.374 6.533 50 1 FKGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587188800 WWKPVLPQLIKXDG-RIYZIHGNSA-N 352.235 5.006 50 1 FKGF O=C1C[C@](CCCl)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587508728 ZWTHYNBFZIPQHQ-OAQYLSRUSA-N 358.840 5.194 50 1 FKGF N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc(F)ccc2F)cs1 587921723 VCDNECJINQBLAD-GVEAZFNLSA-N 350.393 5.709 50 1 FKGF CC1=C(C(C)C)CC[C@]12CC[C@@]1(C)[C@H](C2)[C@@](C)(O)CC[C@H]1Br 2356798496 PJDWKETYOALUFF-LJDSDSDDSA-N 369.387 5.854 50 1 FKGF CC(C)(C)[Si](C)(C)OC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C 195147557 NDSRMVAGHSBOEM-HZPDHXFCSA-N 360.687 5.578 50 1 FKGF CC/C=C/[C@@H](CC)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431362 QRDHVGGKSGYWJG-GOJWGPJVSA-N 368.558 5.854 50 1 FKGF CCCC[C@H](CC)C/C(C)=C/[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 197228697 PSWZZBNSRFVMJA-IAQVZWRDSA-N 354.531 5.909 50 1 FKGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc(F)ccc3c2CCCl)cc1 587632717 JBSUBSSOGQRXBT-UHFFFAOYSA-N 373.855 5.206 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@@]1(CC)C[C@](C=CC(=O)O)(CC)OO1 2356808053 YKBBPPFTBWBIRE-MMKMLUHNSA-N 352.515 5.685 50 1 FKGF CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 100652555 SBEIFFDOHCBIQN-MRXNPFEDSA-N 358.894 5.608 50 1 FKGF ClCc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621907 OMIPLLUMSKFBHM-UHFFFAOYSA-N 360.642 5.213 50 1 FKGF C=C1CC[C@@]2(N=C=S)[C@@H]3[C@@H]1[C@@H](CC(C)(C)NC=O)C[C@@H](C)[C@H]3CC[C@H]2C 2356792650 KAIKLVFUIDYGPS-WTYFSNFJSA-N 374.594 5.027 50 1 FKGF CCCCC/C=C\C/C=C\C=C\[C@@H](C/C=C\CCCC(=O)OC)OO 219946355 GNTURDCSUKZVNZ-MIFXIWNASA-N 350.499 5.773 50 1 FKGF in-vitro C[C@H](CCCCCC/C=C\c1ccccc1)C[C@@]1(C)C[C@@H](C)[C@@](C)(O)OO1 238749971 WLSHRUVGKAXXOJ-SGUAHLGZSA-N 374.565 6.522 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@]43C)[C@@H]1C[C@@H](Br)C2=O 253664708 LXSRYCCKGWATML-PVLOSAQSSA-N 351.328 5.282 50 1 FKGF CCCCC=CCCCCCCCCCCCCCC=CC(=O)C=CC=O 2356537544 WLGVLZBLVVFMKH-UHFFFAOYSA-N 374.609 7.685 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@H]2[C@H]1C=CCC=CCC=CCCCC(=O)O 2356564725 ZPCHFWGBCMRNFG-STEXWYFWSA-N 352.902 5.111 50 1 FKGF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CCl 587497203 HNHPAKDHNCJQPH-FQEVSTJZSA-N 356.849 5.019 50 1 FKGF C[C@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587621463 VHIVXCDUFKWIPH-VIFPVBQESA-N 374.669 5.774 50 1 FKGF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@@H](CC(C)(C)N=C=S)C[C@@H](C)[C@H]3CC[C@]2(C)NC 2356855258 RBKFYCJWOLRTGL-WTYFSNFJSA-N 360.611 5.501 50 1 FKGF CSc1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1 587924832 LBGXVFMKXFJUTD-YSWHLYNJSA-N 360.507 6.152 50 1 FKGF CC[C@H]1C(C#N)=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1 103272920 FGKVTDKDLPRCPP-QHCPKHFHSA-N 351.449 5.921 50 1 FKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586973212 GVLBZMATDFPJRT-CYBMUJFWSA-N 369.306 5.488 50 1 FKGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Br)CCC3 587102500 VVLLPPXPJSELCW-HNNXBMFYSA-N 364.242 5.219 50 1 FKGF Cc1ccc(C)c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498036 NPDBKWQZLBDEIY-WAIKUNEKSA-N 368.904 5.670 50 1 FKGF Cc1ccc(C)c(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587960229 ZGBCOAMXQUNDJO-UHFFFAOYSA-N 362.367 6.428 50 1 FKGF CC(=CCc1ccccc1)C=C(C)C[C@]1(C)C[C@H](C)[C@@H](CC(=O)O)OO1 2356791922 JDLNMKROCJCAGS-CZTZKLFOSA-N 358.478 5.102 50 1 FKGF O=C1c2ccccc2-c2cc([C@H](Cl)c3ccccc3)nc3ccc(O)c1c23 586985416 GXGBKQMORJOTNE-JOCHJYFZSA-N 371.823 5.480 50 1 FKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](C)Cl)CC2=O 587460175 RXLDTQZJUROGGS-SZNDQCEHSA-N 358.865 5.141 50 1 FKGF CCCC[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 169292527 GMAAJLJNAMIUSD-RUOSDFBUSA-N 368.558 5.998 50 1 FKGF N[C@@H](c1ccsc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587025582 OOLYSCXVWHVBCE-NSHDSACASA-N 355.357 5.330 50 1 FKGF CCOC(=O)c1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625293 FLCVNEHLGHALSK-UHFFFAOYSA-N 373.680 5.121 50 1 FKGF FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587093295 LESWNLNDAVMQPQ-BQBZGAKWSA-N 352.250 5.886 50 1 FKGF Nc1cccc(O)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587249854 KZLXKCRZOWMTIM-UHFFFAOYSA-N 351.300 5.175 50 1 FKGF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H](Cl)C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 169350863 FRCCEHPWNOQAEU-VRTAGHHQSA-N 373.321 5.242 50 1 FKGF CC(C)=CCC[C@@]1(C)CC(=C(Cl)CN=C(Cl)Cl)CC[C@H]1Cl 2356313423 YNLMPMANZLWOOZ-ZBFHGGJFSA-N 371.179 6.857 50 1 FKGF N#C/C(=C\c1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587189185 ZDLUBEMYMBCOBP-XMHGGMMESA-N 351.409 5.206 50 1 FKGF CC(=C/C(=O)O)/C=C/C=C(C)/C=C/[C@@H]1C=C2C(C)(C)CCC[C@]2(C)OO1 44430962 IXVCZOADJHTTRK-JIFMWJTHSA-N 358.478 5.302 50 1 FKGF N#C/C(=C/c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587189203 ZNILINZZBDFPKN-VBKFSLOCSA-N 352.397 5.002 50 1 FKGF CCC=C[C@H](C=C(C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1)CC 2356479514 SRXLLJDSYPTQNE-NXLVEIQXSA-N 366.542 5.774 50 1 FKGF FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586881994 ZWJQPXDGJMIWHC-UHFFFAOYSA-N 374.378 7.155 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)ccc1C)([C@H](C)Cl)CC2=O 587459643 OQLIPMTZZUYHCG-OYHNWAKOSA-N 372.892 5.450 50 1 FKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)[C@@H](C)Cl)c2c1 587638957 KSGVGBSFLLOCPS-ZIAGYGMSSA-N 354.881 5.914 50 1 FKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(C)C 2356531648 HNZDTAXZHUDITM-NALHQMNBSA-N 360.614 5.738 50 1 FKGF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H](Cl)C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 169350862 FRCCEHPWNOQAEU-CBAGHSTOSA-N 373.321 5.242 50 1 FKGF Fc1ccc(C[C@]2(CCl)NCCc3cccc(-c4ccccc4)c32)cc1 962661482 COWZGPSBJVFJRA-HSZRJFAPSA-N 365.879 5.315 50 1 FKGF C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)OO 85644627 NNZMYFZCHMIZMN-OVXNXNIRSA-N 370.401 5.079 50 1 FKGF endogenous,in-man ClCCc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622118 XXJRABJYMNTYNC-UHFFFAOYSA-N 374.669 5.255 50 1 FKGF Cc1cc(Cl)cc2c(-c3ccccc3Br)c(CCl)[nH]c12 587623623 KGEUYQMBKNLIEX-UHFFFAOYSA-N 369.089 6.298 50 1 FKGF C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)CCCCl)c1 1857651450 LCKNBEXXKXFSQK-UHFFFAOYSA-N 370.876 5.441 50 1 FKGF CC/C=C/[C@H](CC)C[C@H](C)C[C@@]1(CC)C=C(CC)[C@H](CC(=O)OC)OO1 253861291 BHBZTOVSDRPRQX-KYZYFVGNSA-N 366.542 5.774 50 1 FKGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1cccs1)CC2=O 587496630 YXDJQJMWXBHLPC-IBGZPJMESA-N 364.894 5.286 50 1 FKGF CCC[C@H](CC)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356789515 DJWSWNSZGWYSGH-WXRGLTTHSA-N 356.547 5.688 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=CCN=C(Cl)Cl)C[C@H](O)[C@@H]1Cl 2356791115 GKSLIBXQJIEVJU-OFQRWUPVSA-N 352.733 5.261 50 1 FKGF C/C(=C/CO[Si](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238784473 CKZQZHKPLHXPCT-KOJQISQUSA-N 368.722 8.223 50 1 FKGF FC(F)(c1ccccn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587090100 LOOHVIBLLUTBSE-UHFFFAOYSA-N 371.281 5.755 50 1 FKGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)c1ccc(F)cc1)CC2=O 587466872 NSYNXFZBBTZDRP-UXHICEINSA-N 362.828 5.188 50 1 FKGF C[C@@]1([C@H](Cl)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510188 VLDZKORGMUGOKY-RTWAWAEBSA-N 358.840 5.409 50 1 FKGF CCCCC[C@H](C=CC=CCC=CC=C[C@H](CCCC(=O)O)OO)OO 2356745668 PCIOUQYHTPPZEM-RTBURBONSA-N 368.470 5.153 50 1 FKGF C=C1CC[C@]2(C)[C@H](Br)CC[C@](C)(O)[C@@H]2C=CCC[C@H]1C(C)C 2356581097 KKTOETZBFFCICP-MDMHHNQBSA-N 369.387 5.876 50 1 FKGF C=C(Br)[C@@](Br)(CCl)CC[C@@H](Cl)C(C)C 73370149 TXSWJODTCRJFLS-ZJUUUORDSA-N 366.952 5.311 50 1 FKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OSSO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 84756926 ZTQOUQGOZHUYNV-IGOIZDSHSA-N 374.656 7.153 50 1 FKGF COc1ccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1CCl 962665957 RUWJQGXMSHCYKP-QHCPKHFHSA-N 363.888 5.336 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C1CCC1)[C@@H](C)Br 963244973 YYAIVEVKMQEJMT-SPYBWZPUSA-N 350.344 5.122 50 1 FKGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]12 2356478777 RKNMPQSLAZUFIT-XDDZPGGASA-N 366.545 5.858 50 1 FKGF c1ccc2c3c([nH]c2c1)SSSSc1[nH]c2ccccc2c1-3 6117759 XUUYUSCFRNBOCJ-UHFFFAOYSA-N 358.538 6.725 50 1 FKGF CCC[C@H](CC)C[C@@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44431274 DJWSWNSZGWYSGH-QFCZJPRCSA-N 356.547 5.688 50 1 FKGF Cc1ccc([C@]2(CCCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496989 HAJRKPNAQXRXEU-QFIPXVFZSA-N 354.877 5.363 50 1 FKGF O=C1C[C@](CCl)(c2ccc3c(c2)CCC3)Oc2c1ccc1c2CCCC1 587496935 GXZUVNDQIYFCGJ-QHCPKHFHSA-N 366.888 5.154 50 1 FKGF C/C(=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCCCC1 587969274 XNODSHMEXPHDCX-PKNBQFBNSA-N 366.399 7.204 50 1 FKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCl)(c2ccc(C)cc2)N1 962949055 PARSGYCSCDCETH-JTSKRJEESA-N 352.909 5.273 50 1 FKGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(C(C)C)cc2)C(C)(C)C)c1 169080449 WPNFOBKSVCZRSP-UHFFFAOYSA-N 366.505 5.013 50 1 FKGF Cc1ccc(/C=C(/C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587187861 LRFKHNUFWIXMRY-JYRVWZFOSA-N 359.376 5.547 50 1 FKGF CC(C)=CCC[C@]1(C)CC(=C(Cl)CN=C(Cl)Cl)CC[C@@H]1Cl 2356313421 YNLMPMANZLWOOZ-GOEBONIOSA-N 371.179 6.857 50 1 FKGF C[C@]1(Cl)C[C@](C)(C=CCl)[C@H](Br)C[C@H]1Br 2356468561 IBWBTIUOMWLVDJ-IMSYWVGJSA-N 364.936 5.064 50 1 FKGF CCCC[C@H](CC)CC(C)=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356550989 PSWZZBNSRFVMJA-QEUVDIPISA-N 354.531 5.909 50 1 FKGF C[C@@]1(Cl)C[C@@](C)(Br)[C@H](/C=C/Cl)C[C@@H]1Br 42835353 FMMSUHFXIOENCO-YEBTWRFZSA-N 364.936 5.064 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CBr)c2c1 587641029 IGNSWAISBVAMJZ-LBPRGKRZSA-N 360.270 6.382 50 1 FKGF CCCC[C@H](CC)C/C(=C/[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)CC 85644518 CIIHSLMHCIOPNX-XLLLBGBNSA-N 368.558 6.300 50 1 FKGF C/C(=N\NC(=O)c1cc2ccccc2[nH]1)c1ccc(C2CCCCC2)cc1 1857639587 JLATXQVCLDJUSL-PCLIKHOPSA-N 359.473 5.370 50 1 FKGF CC/C=C/[C@H](CC)C/C=C/[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 44387208 XFGVHASPCNQRND-CGCCBNNSSA-N 352.515 5.384 50 1 FKGF CCCCCCCC/C=C\CCCCCCCCC/C=C/C(=O)/C=C/C=O 238775681 VJJXCHFVMHBWFX-JXIZUEIPSA-N 374.609 7.685 50 1 FKGF O=C1CCC[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586883492 DLPCHPXOLRYYAQ-SECBINFHSA-N 354.344 5.837 50 1 FKGF CSc1cccc(N=c2[nH]c(-c3ccc(CCCl)cc3)cs2)c1 473091850 ZLPFZEIGKNMRGY-UHFFFAOYSA-N 360.935 5.479 50 1 FKGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1cccs1)CC2=O 587496631 YXDJQJMWXBHLPC-LJQANCHMSA-N 364.894 5.286 50 1 FKGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2ccccc2)n1 195181132 QBUXQRCJNXKXDC-ZWKOTPCHSA-N 361.558 5.619 50 1 FKGF Clc1ccc(Nc2nc(C(Cl)Cl)nc3ccccc23)c(Cl)c1 1772611592 HZHHFHRPVYJRFQ-UHFFFAOYSA-N 373.070 6.156 50 1 FKGF CC[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329195 XMSABSXSXKCLFS-AZUAARDMSA-N 362.828 5.058 50 1 FKGF Fc1ccc2[nH]c(CBr)c(Oc3ccccc3)c2c1Cl 587628587 WDHGHQZDGVRCDM-UHFFFAOYSA-N 354.606 5.648 50 1 FKGF CCCC[C@H](C)C[C@H](CC)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356506326 JVFCDVVUSGATTM-SXFAUFNYSA-N 370.574 6.078 50 1 FKGF CCC=C[C@H](CC)CC(C)=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356424209 QTIPTWPLMFIHPM-CTAFRAEOSA-N 352.515 5.685 50 1 FKGF Cc1ccc([C@]2(C)CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)o1 40979843 FMEJHRWXKSRJRG-RUZDIDTESA-N 354.449 6.125 50 1 FKGF O=C1C[C@@H](c2ccc(OCCCCl)cc2)Oc2c1ccc1c2CCCC1 587497785 KXNJJBRVCHSMLM-NRFANRHFSA-N 370.876 5.280 50 1 FKGF CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\C/C=C\CCCC(=O)OC 145421567 RQOGDHBYTJYMHH-CYPATCKXSA-N 366.929 5.199 50 1 FKGF CCCCC[C@@H](/C=C/C=C\C/C=C/C=C/[C@H](CCCC(=O)O)OO)OO 85966951 PCIOUQYHTPPZEM-MEBRRQOHSA-N 368.470 5.153 50 1 FKGF C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 253664700 LXSRYCCKGWATML-HRVGUFCPSA-N 351.328 5.282 50 1 FKGF Fc1ccc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587169051 RJILCQAAANHPJA-UHFFFAOYSA-N 368.302 5.938 50 1 FKGF C=CCCCCC=CC#C[C@@H](CCCCCC(=O)OC)O[Si](C)(C)C 2356429437 UTCOKYQAKRDCSK-FQEVSTJZSA-N 364.602 5.636 50 1 FKGF CC1(C)[C@H]2CCC(C=CN=C(Cl)Cl)=C[C@]2(C)C[C@H](O)[C@@H]1Cl 2356505906 UGFPVWDJDIORFX-RSUWNVLCSA-N 350.717 5.075 50 1 FKGF O=P(c1ccccc1)(c1ccccc1)[C@@H]1CC=C2CCCCC[C@H]2C1 1622529 IZFJIOPRYIDKFO-NZQKXSOJSA-N 350.442 5.670 50 1 FKGF COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1CBr 587899132 ZUJSOESGACLCAF-UHFFFAOYSA-N 370.073 5.297 50 1 FKGF CCC=C[C@H](CC)C[C@H](C)C[C@@]1(CC)C[C@@](C=CC(=O)O)(CC)OO1 2356808054 YKBBPPFTBWBIRE-QIJZPMMNSA-N 352.515 5.685 50 1 FKGF CCCC[C@H](CC)C/C(C)=C/[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 166448298 PSWZZBNSRFVMJA-PTTLPDHWSA-N 354.531 5.909 50 1 FKGF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H](Cl)CCl)nc2c1 587008985 UEPLYUFKEBDYPC-LURJTMIESA-N 351.077 5.119 50 1 FKGF Cc1c(F)ccc2c1[C@@]1(CCCCCCCCCC[C@@H]1Cl)NCC2 962094445 SPBRLJGOKIDAHN-FPOVZHCZSA-N 351.937 5.997 50 1 FKGF OCc1cccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586895166 RWNVLAHBTVZZGI-UHFFFAOYSA-N 350.312 5.380 50 1 FKGF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCBr)cc1 587629977 BYPFMYSKLAJWRH-UHFFFAOYSA-N 370.624 5.704 50 1 FKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCCl)(c2cccc(F)c2)N1 962946679 IGTDZTRNQBJSGK-JTSKRJEESA-N 370.899 5.494 50 1 FKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C1CCC1)[C@@H](C)Br 963244972 YYAIVEVKMQEJMT-CLCXKQKWSA-N 350.344 5.122 50 1 FKGF N#Cc1ccc(Nc2nccc([C@@H](Cl)c3cccc4ccccc34)n2)cc1 169348996 NAYISIGELLFFRR-NRFANRHFSA-N 370.843 5.573 50 1 FKGF Cc1cc(/C=C/C#N)ccc1Nc1ccc(F)c(Nc2ccc(F)cc2)n1 653737716 HAWTXTJQIPYHCQ-NSCUHMNNSA-N 362.383 5.692 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586974261 UGBSCFAEQMIZMD-QMMMGPOBSA-N 369.184 5.027 50 1 FKGF C[C@]1(Cl)C[C@](C)(/C=C/Cl)[C@@H](Br)C[C@@H]1Br 238743385 IBWBTIUOMWLVDJ-DIAJGAPXSA-N 364.936 5.064 50 1 FKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586974006 PKBZOMPLMXSTFJ-VIFPVBQESA-N 367.649 5.402 50 1 FKGF C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 20157880 DZXGDLAKZTXDBZ-KXWSDFAKSA-N 368.908 5.281 50 1 FKGF Clc1ccc2c(c1Cl)CN(CCCCCCBr)CC2 27863211 CPUALEJRLGVKHC-UHFFFAOYSA-N 365.142 5.307 50 1 FKGF CC1=C(C#N)[C@@H](c2ccccc2OCc2ccccc2)C2=C(O)CCCC2=N1 104072630 HIAOEKAETWONAP-HSZRJFAPSA-N 370.452 5.597 50 1 FKGF CCCCC[C@@H](C=CC=CCC=CC=C[C@H](CCCC(=O)O)OO)OO 2356745667 PCIOUQYHTPPZEM-RBUKOAKNSA-N 368.470 5.153 50 1 FKGF CCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587499580 WACPDDVVAZKDIU-JOCHJYFZSA-N 371.908 5.103 50 1 FKGF Cc1cc(Cl)cc2c(CCCl)c(-c3ccc(C(C)(C)C)cc3)[nH]c12 587623822 QPZHDKFXMKBXOZ-UHFFFAOYSA-N 360.328 6.876 50 1 FKGF COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@@H]2Cl)cc1 5811990 WKDRHEQPUCIDRZ-KRWDZBQOSA-N 351.229 5.113 50 1 FKGF CC1=C[C@@H]2[C@H](CC1)[C@](C)(C#N)CC[C@@H]2[C@@]1(C)CC[C@H](C(C)(C)N=C=S)O1 2356588908 MDHXTRAQAIWATJ-ZYSXZPBFSA-N 372.578 5.718 50 1 FKGF COc1ccc(Cl)cc1C#Cc1ccccc1-c1cnc(CCl)o1 587902656 KHOFFJLMYVWYFW-UHFFFAOYSA-N 358.224 5.142 50 1 FKGF O=C(O)C1=Cc2ccc(S(F)(F)(F)(F)F)cc2O[C@@H]1C(F)(F)F 1772643119 ANVUBOGVSXRMJT-VIFPVBQESA-N 370.217 5.135 50 1 FKGF C=C(C)[C@@H](Br)C[C@@H](Br)C(C)=CC(Cl)Cl 2356731905 KQHIOMQBBGDCNC-DTWKUNHWSA-N 364.936 5.230 50 1 FKGF Cc1ccc(C)c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498028 NPDBKWQZLBDEIY-MWTRTKDXSA-N 368.904 5.670 50 1 FKGF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCBr)c2c1 587640540 FJQYEHLSOCBQGB-ZDUSSCGKSA-N 374.297 6.425 50 1 FKGF