smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(Cl)cc1C#Cc1cc(F)ccc1CBr 587916929 TYKDUORVQWVXIM-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@@H](Cl)CCC(C)=CCCC(C)=CC[C@@H]12 2356575759 AEKUHSZDYHCQSS-DMUMMCEESA-N 352.902 4.689 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCl)cc2)N1 587683413 GWSWOGYEQXEWAA-QGHHPUGFSA-N 368.677 4.951 50 1 FJGF CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@H](Cl)CO)CC[C@]21C 2356730819 JFQFGRCANCUAGD-WLALFVLNSA-N 354.918 4.620 50 1 FJGF CCCCC[C@@H]1O[C@@H]1CC=CC=C[C@@H](CC=CCCCC(=O)O)OO 2356764483 LUBTVGBPYONJJZ-CEXWTWQISA-N 352.471 4.896 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43872075 JEYREVQJWDNMSE-COCQWFHCSA-N 372.505 4.871 50 1 FJGF C[C@]1(c2ccc(O)c(CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499936 WPEDIRMARAUAGR-OAQYLSRUSA-N 356.849 4.890 50 1 FJGF CC1=CC=C[C@H]2N=C(SSC3=N[C@H]4C=CC=C[C@@H]4S3)S[C@H]12 27193308 VWFYYOQGNYFXME-QNWHQSFQSA-N 350.559 4.690 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100864015 JEYREVQJWDNMSE-LVYCEBOYSA-N 372.505 4.871 50 1 FJGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](C)Cl)CC2=O 587460578 UPPYVSRDKNSSMA-ZSEKCTLFSA-N 374.864 4.841 50 1 FJGF Cc1cc(F)c([C@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)cc1F 963098682 JAAZXRHBZFISIM-QRWLVFNGSA-N 365.826 4.915 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCl)cc2)N1 587684585 LFLMXEZGEYCEMV-BTDLBPIBSA-N 368.677 4.951 50 1 FJGF COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586971187 OGFVFTJTBGIJCP-SNVBAGLBSA-N 369.156 4.582 50 1 FJGF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](C)Cl)CC2=O 587460575 UPPYVSRDKNSSMA-ASSNKEHSSA-N 374.864 4.841 50 1 FJGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417691 OMWFPBXXKFOLNJ-XAILHKCVSA-N 363.240 4.619 50 1 FJGF CCOc1ccc(Nc2ccc(C(=O)C(Cl)Cl)cc2[N+](=O)[O-])cc1 2382248929 FOSWNMWDSPKFKA-UHFFFAOYSA-N 369.204 4.724 50 1 FJGF N#Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497270 IKYPIYZWLMYFEN-NRFANRHFSA-N 351.833 4.537 50 1 FJGF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(C#N)=CO2 587504718 KTCVLQWHNHVZHG-QHCPKHFHSA-N 357.409 4.534 50 1 FJGF Cc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br 587087104 LXTIEMRQRIGDOB-JTQLQIEISA-N 364.056 4.818 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587087421 QCAGKPXKVCEMTQ-VIFPVBQESA-N 357.120 4.905 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccs1 587613722 PYFIFKFMHLEUPK-QFBILLFUSA-N 372.829 4.550 50 1 FJGF CCCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417114 JJPOBNZDZGFEIL-DYESRHJHSA-N 356.849 4.529 50 1 FJGF C=C[C@@](C)(Cl)[C@@H](Br)/C=C/[C@](C)(Cl)CBr 59702463 GMRISVPDHRWESB-JFMIBXDUSA-N 364.936 4.882 50 1 FJGF CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169340306 VVUDNAVGLAULSR-VAEALJQBSA-N 366.498 4.736 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)c(C)cc(C)c1C)[C@@H](C2)C3=O 587419720 YJQBGUMOAYBZGJ-JTSKRJEESA-N 370.876 4.811 50 1 FJGF C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 36143030 MYJOHEAQVGLUIX-KXWSDFAKSA-N 352.453 4.767 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587188889 YATSGCQXRBAALA-VCHYOVAHSA-N 365.440 4.767 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)/C(=C\c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106203 WPQUGOUDKIYTIU-BAELKCKISA-N 356.462 4.909 50 1 FJGF Cc1cccc([C@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)c1 587371780 GFNDQQSNJDUOOC-ORAYPTAESA-N 374.278 4.530 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587188691 VNWVIMRUCTXQEO-WDZFZDKYSA-N 373.641 4.746 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=C=S)cc1)CC2=O 587491797 NHPDCMIOJYNLQP-FQEVSTJZSA-N 353.443 4.960 50 1 FJGF CN(C)Cc1cc(/C(=C(\C#N)c2ccccc2)c2ccc(O)cc2)ccc1O 1624591 KQGLCODZMVWSNL-ZNTNEXAZSA-N 370.452 4.642 50 1 FJGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2S)cc1 103189193 PAOITCVSMNJAQZ-IRXDYDNUSA-N 354.862 4.527 50 1 FJGF CCCCN(CCCC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 95808644 UGCRFPWHYFJEQK-HAVVHWLPSA-N 367.493 4.563 50 1 FJGF CC(=O)Nc1cnc(SSc2ccc(Br)cc2)s1 1857752400 IQTZWIHYBZOFEX-UHFFFAOYSA-N 361.311 4.663 50 1 FJGF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](Cl)[C@@H]1C2=O 238760269 WFMXNCWOAAUPCM-WUXJWGNOSA-N 352.858 4.684 50 1 FJGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@H]1c1cc2ccccc2nc1Cl 103176472 ZWQCORRBMBPTPJ-DLBZAZTESA-N 357.240 4.892 50 1 FJGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)c(Cl)cc2[nH]1 586971185 OFSDFOPZLWFXHC-SNVBAGLBSA-N 352.059 4.731 50 1 FJGF Cc1ccc2oc(=O)c(-c3cccc(OCCCBr)c3)cc2c1 653765595 ISHKJWBAICESMB-UHFFFAOYSA-N 373.246 4.932 50 1 FJGF CC(C)Oc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972111 GPLWISSJMXTXAQ-ONEGZZNKSA-N 374.076 4.521 50 1 FJGF CCc1ccc(CC)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587374821 ZNGHDWMSMHQACH-NRFANRHFSA-N 357.881 4.802 50 1 FJGF Cc1cccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)c1 103176485 SOIVMOXXIBUJLJ-IRXDYDNUSA-N 357.240 4.892 50 1 FJGF CC(C)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327614 QHLPBPPVKFYOTI-UYAOXDASSA-N 362.828 4.914 50 1 FJGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCl)c1cccc(Cl)c1 963097226 FQWRBRKAXZAHPE-IEBWSBKVSA-N 350.264 4.982 50 1 FJGF CC(C)=CCC/C(C)=C\C=N/NC(=O)Nc1nnc(-c2ccccc2)o1 103219238 XEHPLBDZNAAGLI-AZDFLESRSA-N 353.426 4.537 50 1 FJGF C[C@@]1(c2csc(C(=O)CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587533902 YMCFEPHHUXIHAH-FQEVSTJZSA-N 374.889 4.929 50 1 FJGF CCCCC[C@@H]1O[C@H]1CC=CCC=CC=C[C@H](CCCC(=O)O)OO 2356343280 KTJVOVFOUDDZLQ-QYZOEREBSA-N 352.471 4.896 50 1 FJGF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@H](Cl)[C@H]1C2=O 2356624381 WFMXNCWOAAUPCM-IQVHUKIISA-N 352.858 4.684 50 1 FJGF CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/Cc1cccc2ccccc12 49112492 MXGNKJAQZVOMLX-WOJGMQOQSA-N 362.436 4.934 50 1 FJGF Fc1cccc(Nc2ncnc3c2cnn3C[C@H](Cl)c2ccccc2)c1 96272518 GXIBVDBBEJEVPC-KRWDZBQOSA-N 367.815 4.689 50 1 FJGF C=C[C@@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1C#N 238740611 URIXGBACTIPRIZ-RHQNYVFKSA-N 352.865 4.643 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cnc2[nH]1 586972806 CBRANVJBNLHGHZ-SECBINFHSA-N 350.647 4.658 50 1 FJGF CCC(CC)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689004 OQKQJEXWFJWQFR-HWPZZCPQSA-N 362.714 4.993 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccc1C#N 587897928 ANGKDSGRJUNYBX-UHFFFAOYSA-N 360.638 4.515 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(=O)CC2)OO1 43620334 AGRPLIAIEWBNAS-JOCHJYFZSA-N 364.441 4.943 50 1 FJGF CCCCCN(CCCCC)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1 205339174 LYZWLUWMPJZUDU-NBVRZTHBSA-N 358.482 4.874 50 1 FJGF CC(=O)O[C@H]1O[C@@H]2C/C(C)=C/CC/C(C=O)=C\1[C@H]2[C@H](C)CCC=C(C)C 238736447 JOLKTAMDRUAINZ-OHWOIVHYSA-N 360.494 4.899 50 1 FJGF CCCCC[C@H](C=C[C@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2)OO 2356347904 QXCRWNZYEVOQMB-ICBNADEASA-N 370.486 4.741 50 1 FJGF C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H](Br)[C@H](CC)C1 2356571327 ODYCAZSSUVCHNU-TVFCKZIOSA-N 353.300 4.644 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(OO)[C@@H]3CC[C@]12C 2356401556 IZHVRQHEQOOTTN-MXWUCNHHSA-N 360.494 4.905 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCl)c2)N1 587681750 ALAUWOQKBJNEJP-DYZYQPBXSA-N 368.677 4.951 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)O2 587373616 RTUCXKXALPUOCP-QVKFZJNVSA-N 357.881 4.990 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCC3)CC2=O 587462134 WNMDPAGZNPJZIH-QFIPXVFZSA-N 370.876 4.933 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(C#N)ccc1CBr 587898531 MLFGUMGGOSLKEJ-UHFFFAOYSA-N 360.638 4.515 50 1 FJGF COc1cc2c3c(c1)O[C@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587417008 IDHCTZZZVSTQBI-GHNFSYLKSA-N 370.876 4.891 50 1 FJGF C=C[C@](C)(Cl)[C@H](Br)C=C[C@@](C)(Cl)CBr 2356467822 GMRISVPDHRWESB-BBBLOLIVSA-N 364.936 4.882 50 1 FJGF CCCCCCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O 36160238 KAEZUCMIGJWRNA-UHFFFAOYSA-N 352.471 4.932 50 1 FJGF CCCCC[C@@H]1O[C@@H]1C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO 535385314 FRAUAYJDJWCREF-UZZJIDQZSA-N 352.471 4.896 50 1 FJGF in-vitro O=C1C[C@](CCl)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503136 CTQQXXDGDKJDMR-NRFANRHFSA-N 358.840 4.890 50 1 FJGF Cc1cnc(Cl)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc12 586974299 VEMSALAWTWSBNO-SNVBAGLBSA-N 364.674 4.966 50 1 FJGF COc1cccc(C(=O)N/N=C/C2=C(Cl)c3ccccc3CCC2)c1C 299831264 YHWVFUAFPIEXSA-YDZHTSKRSA-N 368.864 4.706 50 1 FJGF Cc1cccc([C@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)c1 587371776 GFNDQQSNJDUOOC-BFUOFWGJSA-N 374.278 4.530 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCl)cc2)N1 587684587 LFLMXEZGEYCEMV-QGHHPUGFSA-N 368.677 4.951 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)[C@H](C)Cl)cc1C 587899547 CZGZUFONXTVKJU-ZDUSSCGKSA-N 362.256 4.623 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(F)c1F 587914815 HRCPFUHAMRNYHA-UHFFFAOYSA-N 371.608 4.922 50 1 FJGF CC[C@H](C=CC(C)=O)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356688631 HFHDSLLYEQXICI-LIALQNRZSA-N 368.514 4.944 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(O)CC2)OO1 43617615 JQLGGBVIFUGHKS-OOMBGRCJSA-N 366.457 4.735 50 1 FJGF CC[C@H](Br)[C@@H](Br)C1=Cc2ccccc2C(=O)C1 44406460 MWNSYRNFWVETQB-JSGCOSHPSA-N 358.073 4.593 50 1 FJGF CC(C)(C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320471 AJNGPBZFSYGMAI-YLJYHZDGSA-N 362.828 4.914 50 1 FJGF CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1 1857623668 UXQKDCXLIGYTNZ-UHFFFAOYSA-N 366.262 4.863 50 1 FJGF CC1(C)[C@H](Br)C[C@H](Cl)C(=CCBr)[C@H]1Cl 2356450468 WBDRSOKGNBUNSZ-DJLDLDEBSA-N 364.936 4.716 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)c(F)cc2[nH]1 586974538 XRBODUQALAJVCO-SECBINFHSA-N 351.194 4.888 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587328600 JRDVANFJHXNINE-GGPKGHCWSA-N 360.812 4.810 50 1 FJGF O=C(Oc1ccc2ccccc2c1)c1cc2cc(CCl)ccc2oc1=O 1660783 RMSKNGYQVQULNT-UHFFFAOYSA-N 364.784 4.904 50 1 FJGF CC[C@H](/C=C/C=C\C[C@H](/C=C/CCCCCCC(=O)OC)OO)OO 102183007 VSFQDXUQTUGXLX-WKENFMIVSA-N 356.459 4.685 50 1 FJGF CC1(C)CCC[C@]2(C)[C@H]3C=C4C(=CC(=O)C(=O)[C@@H]4Cl)O[C@@H]3CC[C@@]12C 169721590 OYLYUBNDJBABFP-ZHAWEFGCSA-N 362.897 4.587 50 1 FJGF FC(F)(F)Sc1ccc2nc(CCCCBr)[nH]c2c1 586972416 QFWQZSFUKQXJFQ-UHFFFAOYSA-N 353.207 4.892 50 1 FJGF CN1CCc2c(Br)cccc2[C@]1(CCl)c1ccc(F)cc1 963270758 RALGRLDEMZGQDS-KRWDZBQOSA-N 368.677 4.559 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587087821 VTSGZPJMSGWNRE-SECBINFHSA-N 355.129 4.646 50 1 FJGF C=C(c1ccc(C2CCCCC2)cc1)[C@H]1COC2(CCC(=O)CC2)OO1 43524130 AZGZNWDOKLVPBF-OAQYLSRUSA-N 356.462 4.934 50 1 FJGF CCCCOc1ccc([C@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cc1 223899276 UGHIXBAYVYGVQM-DEOSSOPVSA-N 374.484 4.886 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587419210 XDSPLEXUIXQZTQ-AVRDEDQJSA-N 370.876 4.811 50 1 FJGF CCCC[C@@H](O[Si](C)(C)C(C)(C)C)c1csc(S(N)(=O)=O)c1 169983175 RZGPGKVZRUOYFO-CYBMUJFWSA-N 363.621 4.649 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Cl 587542764 BBQZFFMNUHETJY-FUHIMQAGSA-N 358.821 4.664 50 1 FJGF CCCN(c1cccc(C#N)c1)P(=O)(c1ccccc1)c1ccccc1 95596158 YVQQXCIARSSGNM-UHFFFAOYSA-N 360.397 4.704 50 1 FJGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169340308 VVUDNAVGLAULSR-QWVKJRFASA-N 366.498 4.736 50 1 FJGF CC1=C[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@H]2CC1 85639634 CFIKBMDDAXJTEV-FSLXVOFHSA-N 367.961 4.829 50 1 FJGF biogenic CC(C)c1ccc([C@@H]2[C@@H]3CSCCC3=C(C#N)C(=N)C2(C#N)C#N)cc1 169690421 RSFRARKQPFKREG-RTBURBONSA-N 360.486 4.534 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(F)cc1)CC2=O 587466760 MOQFGFVJSUPMRU-HXUWFJFHSA-N 371.433 4.559 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2Cl)N1 587707724 WSBYYKJKQKBGHS-UHNFBRDESA-N 360.698 4.889 50 1 FJGF C=C(C)[C@@H](O)CCC(C)=CC[C@H](CCC(C)=CC=O)C(C)(C)OC(C)=O 2356313099 SNGVQSHWDGBVQH-RTWAWAEBSA-N 364.526 4.923 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C2CCC2)([C@H](C)Br)N1 962943299 GOFOQTQECOPNJL-CFZJUORYSA-N 361.327 4.871 50 1 FJGF C=C(C)[C@H](O)CCC(C)=CC[C@H](CCC(C)=CC=O)C(C)(C)OC(C)=O 2356313097 SNGVQSHWDGBVQH-NHCUHLMSSA-N 364.526 4.923 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587087383 PHCJPSQEAISBPM-SECBINFHSA-N 357.120 4.905 50 1 FJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(NC(C)=O)cc1 963221354 AHXVWZVFSHDPIJ-KSFYIVLOSA-N 370.924 4.784 50 1 FJGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](Cl)c1ccccc1F)[C@@H](C2)C3=O 587425650 GDKLUMZVPCSDKK-IWMITWMQSA-N 372.823 4.711 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)cs1 587613939 QFWXGPMKKQEFMS-VQIMIIECSA-N 372.829 4.895 50 1 FJGF CC[C@@H](/C=C/[C@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182963 VLSAMZWSXZHGGX-FGUITYDLSA-N 356.459 4.685 50 1 FJGF C#C/C=C\C[C@H](O)[C@H](Cl)C/C=C\C[C@@H](Cl)[C@H](Br)CC 195401822 GGOGTQISOAHDFM-JAYOIWQLSA-N 368.142 4.652 50 1 FJGF C#C/C=C\C[C@H](O)[C@H](Cl)C/C=C\C[C@@H](Cl)[C@@H](Br)CC 169347543 GGOGTQISOAHDFM-LSAHUMGKSA-N 368.142 4.652 50 1 FJGF Cc1ccc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 49762477 YUHSPIYJWBBMHU-UHFFFAOYSA-N 351.277 4.531 50 1 FJGF in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](C)Cl)O2 587372158 JWGFBMKVWNVRNN-BBATYDOGSA-N 350.245 4.719 50 1 FJGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCl)c1cccc(Cl)c1 963097227 FQWRBRKAXZAHPE-MJGOQNOKSA-N 350.264 4.982 50 1 FJGF CC(=O)OCC(=CCCC(C)=CC=O)CCC=C(C)[C@H](O)CC=C(C)C 2356528469 ZOXDAANNUDSSLU-JOCHJYFZSA-N 362.510 4.845 50 1 FJGF CCCCCCCCCSC(=S)NNC(=O)c1ccc(F)cc1 43411623 WQOJSXIQENKUGF-UHFFFAOYSA-N 356.532 4.829 50 1 FJGF CC(C)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544971 PULOQINRIFGUFB-XLIONFOSSA-N 360.837 4.768 50 1 FJGF C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 44052582 RVWXMIWQPXTIQD-VMXMFDLUSA-N 356.487 4.556 50 1 FJGF [C-]#[N+][C@H]1[C@@](C)(C=C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]cc(c34)[C@@]12O 85559515 CMGQSGIXZPECQF-WDMKGZBDSA-N 354.881 4.754 50 1 FJGF Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](Cl)[C@H]1C2=O 238778580 WFMXNCWOAAUPCM-ZXRHMVHLSA-N 352.858 4.684 50 1 FJGF Cc1ccc([C@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530711 DKOWXEJZRRKEFH-JOCHJYFZSA-N 363.482 4.949 50 1 FJGF ClCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96174060 XSUPRXIYZYTKHO-UHFFFAOYSA-N 359.820 4.792 50 1 FJGF COc1cc(/C(C#N)=C/c2csc3ccccc23)cc(OC)c1OC 299863675 LJHKOZKMIRSYDV-RIYZIHGNSA-N 351.427 4.991 50 1 FJGF O=C(N/N=C1\CC2(CCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1 1857767988 BWTAXIQGZRMUBO-HAVVHWLPSA-N 369.852 4.961 50 1 FJGF C/C(=N/NC(=O)c1cccc(N/N=C(\C)c2ccccc2)c1)c1ccccc1 13147000 NLZPQJKGVNXTCV-AEYPSVNOSA-N 370.456 4.677 50 1 FJGF O=C(NNc1cccc2ncccc12)C1(c2ccc(F)cc2)CCCCC1 40956635 IYNRWSDHIBOGTL-UHFFFAOYSA-N 363.436 4.719 50 1 FJGF C[C@]1(c2cccc(/C=C\C=O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504939 OUJKSGPUSHKNRJ-OJGACTJDSA-N 364.416 4.797 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCCC1 587544898 PMDIWEUTVIQBLR-XLIONFOSSA-N 358.821 4.522 50 1 FJGF CO[P@@](=O)(c1ccccc1)c1ccc2nc(-c3ccc(F)cc3)oc2c1 1911580612 SLWMYOKBIAIKJN-SANMLTNESA-N 367.316 4.509 50 1 FJGF c1cncc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1 43569596 GCEMXVHNBSGPCE-UHFFFAOYSA-N 370.493 4.511 50 1 FJGF CC1(C)Oc2c(C=O)cc3c([nH]c4ccccc43)c2C[C@H]1Br 72113312 GWOJXOIWQKOVEE-OAHLLOKOSA-N 358.235 4.611 50 1 FJGF O=C1OC(=O)c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)ccc21 586907140 SMKFBCLQYFLFCD-UHFFFAOYSA-N 372.405 4.692 50 1 FJGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2S)cc1 103189191 PAOITCVSMNJAQZ-DLBZAZTESA-N 354.862 4.527 50 1 FJGF CC1=C[C@H]2[C@@H](CC1)[C@](C)(NC=O)CC[C@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 238766669 CFIKBMDDAXJTEV-RCGDKRNRSA-N 367.961 4.829 50 1 FJGF C[C@@H](C(=O)N/N=C/c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 103200194 NLXHFLIFBNJDDH-PVLQNKMRSA-N 364.395 4.886 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587419087 WUYSEDCZWUPZEO-GQNMWPQZSA-N 356.849 4.582 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(O)cc1)CC2=O 587460290 LQZZJIKHLDQKGB-NRFANRHFSA-N 374.864 4.930 50 1 FJGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644393 AKYCAYLALNBQEL-UHFFFAOYSA-N 364.188 4.574 50 1 FJGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43328121 VVUDNAVGLAULSR-ARTYZRPOSA-N 366.498 4.736 50 1 FJGF CCCCC[C@@H]1O[C@@H]1CC=CCC=CC=C[C@H](CCCC(=O)O)OO 2356343275 KTJVOVFOUDDZLQ-CEXWTWQISA-N 352.471 4.896 50 1 FJGF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@@H](Cl)CCC(C)=CCCC(C)=CC[C@H]12 2356575762 AEKUHSZDYHCQSS-XSYGEPLQSA-N 352.902 4.689 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587087947 ZKFKQSQQORENLO-OAHLLOKOSA-N 373.229 4.843 50 1 FJGF CC(=O)OC[C@H](CCC=C(C)C)[C@H]1CCC(C)=CCC=C(C=O)[C@@H]1C=O 2356358245 YQUKFUMDEVAPHO-BDTNDASRSA-N 360.494 4.599 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(C)cc1)CC2=O 587489920 FSUXAMPNMZDCAQ-NRFANRHFSA-N 367.470 4.728 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccs1 587613720 PYFIFKFMHLEUPK-APWZRJJASA-N 372.829 4.550 50 1 FJGF CC(C)CC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688242 JXWGWUFYLIFDMO-BZNIZROVSA-N 362.714 4.993 50 1 FJGF CCCCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO 263614156 AZHSPOPOMNJPFD-YLMOWEDUSA-N 352.471 4.656 50 1 FJGF in-vitro O=C1C[C@]2(CCC[C@H]2CCBr)Oc2c1ccc1c2CCCC1 587498991 KYBLPCGULCVADV-LIRRHRJNSA-N 363.295 4.855 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccs2)N1 587849624 UTLLNXDRHUAEKW-RFAUZJTJSA-N 374.706 4.666 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCCl)(CCCl)N1 587682844 DYECRFZPIFMNPB-SECBINFHSA-N 369.105 4.576 50 1 FJGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2cccc(Cl)c12 1857653275 MXPDOUKTYNVXFL-UHFFFAOYSA-N 367.324 4.618 50 1 FJGF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C)Cl)CC2=O 587461127 XFAHFEYRNDPMKF-SZNDQCEHSA-N 358.865 4.919 50 1 FJGF COc1ccc(Cl)cc1C#Cc1c(CCl)ccc(OC)c1OC 587901169 ZGHPAKLNTAUSNT-UHFFFAOYSA-N 351.229 4.504 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCC3)O2 587371596 GZZJFEFKIUVWRI-OAQYLSRUSA-N 355.865 4.556 50 1 FJGF CCC(CC)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685879 BOPXCRLJZKVQMI-QLJPJBMISA-N 362.714 4.993 50 1 FJGF CC(C)CC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688244 JXWGWUFYLIFDMO-ZBEGNZNMSA-N 362.714 4.993 50 1 FJGF CCC[C@@]1(CCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645813 YIGWVKPBFJHHCH-RBBKRZOGSA-N 354.925 4.668 50 1 FJGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2cnco2)n1 195358075 OYTLZULTHWIRLP-ZFWWWQNUSA-N 352.507 4.607 50 1 FJGF CC[C@@H]1OC(=O)CCCC=CCC=CCC=C[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 253798628 XSVVTBMSEOBKQC-ILRSOXBSSA-N 352.902 4.545 50 1 FJGF CCCN1[C@H](C)Cc2ccccc2[C@]12C(C=O)=COc1cc(Cl)ccc12 963243314 RPPNQDXUURVZRU-QRQCRPRQSA-N 367.876 4.715 50 1 FJGF CC[C@H](C=CC(C)=O)CCC[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356313268 VIKYMDHMJZRUGH-JRBPQWBISA-N 354.487 4.698 50 1 FJGF C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 36143032 MYJOHEAQVGLUIX-AEZZAFEZSA-N 352.453 4.767 50 1 FJGF N#CSC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501926 GVJTYFIOBMDYDH-OAQYLSRUSA-N 367.445 4.779 50 1 FJGF Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C/c1ccc(F)cc1 1857630551 DNVDJKAKHHXRMP-FSJBWODESA-N 367.811 4.613 50 1 FJGF CC[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372286 IDPVEPYJXWHMRJ-MJGOQNOKSA-N 374.278 4.611 50 1 FJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccccn1 963195964 PSDBQXKPACATRJ-GMAHTHKFSA-N 373.887 4.687 50 1 FJGF COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cl)ccc1O 84670045 DQNGCPGJQQGUMO-CQSZACIVSA-N 370.792 4.657 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OCC)cc1)CC2=O 587461821 UKVVOUPNYLONFI-NRFANRHFSA-N 374.864 4.843 50 1 FJGF CC(C)CC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688752 NUAXMHDPLTZRNB-BZNIZROVSA-N 362.714 4.993 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(C)c(C)c1C)O2 587371866 HKNIVIVKLRZAAR-NRFANRHFSA-N 357.881 4.910 50 1 FJGF N#CC(C#N)=Cc1ccc(Oc2ccccc2)c(I)c1 38987704 UFXJFVKBKKIYFM-UHFFFAOYSA-N 372.165 4.514 50 1 FJGF CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 43328122 VVUDNAVGLAULSR-UCINFPARSA-N 366.498 4.736 50 1 FJGF CC(C)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327611 QHLPBPPVKFYOTI-ICSRJNTNSA-N 362.828 4.914 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccccc2)N1 587685780 RQJADNSFJXXBCB-PIGZYNQJSA-N 368.677 4.605 50 1 FJGF COc1ccc([C@]2(CCCCCCl)NCCc3ccc(O)cc32)cc1 963354255 VOVUZMIFJMOSJH-NRFANRHFSA-N 359.897 4.589 50 1 FJGF O=P(CCCCCN=C=S)(OCC(F)(F)F)OCC(F)(F)F 1772602795 ZXUMQZAUCRHZKB-UHFFFAOYSA-N 373.255 4.610 50 1 FJGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(-n2cccc2)cc1 13923615 QYBJNITUCBECGO-CIAFOILYSA-N 358.228 4.548 50 1 FJGF N#Cc1ccc(Nc2nccc([C@H](Br)c3ccccc3)n2)cc1 169349015 CBEQILQBYNQYEU-QGZVFWFLSA-N 365.234 4.576 50 1 FJGF ClCc1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961750077 NZIYWDIXTUSFSA-QGZVFWFLSA-N 362.698 4.956 50 1 FJGF O=C(Oc1ccc(N(CCCl)CCCl)cc1)c1cccc(Cl)c1 5420606 SXYLQUYLIISZOT-UHFFFAOYSA-N 372.679 4.843 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccs2)N1 587848669 PCXBSZMVRJJATQ-VFZGTOFNSA-N 374.706 4.666 50 1 FJGF C#C/C=C\C[C@@H](O)[C@H](Cl)C/C=C\C[C@@H](Cl)[C@@H](Br)CC 169347540 GGOGTQISOAHDFM-GPLNWUCESA-N 368.142 4.652 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCC1CCCC1)O2 587374235 OTMQWAOFWWXSGP-SFHVURJKSA-N 366.299 4.647 50 1 FJGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417688 OMWFPBXXKFOLNJ-PYFOHURJSA-N 363.240 4.619 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CCl)c1)CC2=O 587460779 PGAREUPGSQZSCB-OAQYLSRUSA-N 374.864 4.973 50 1 FJGF CCC(CC)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543191 JWCMCFFYEQOSJM-FXAWDEMLSA-N 360.837 4.768 50 1 FJGF CCCCC[C@@H]1O[C@H]1C[C@@H](C=CC=CCC=CCCCC(=O)O)OO 2356342914 FRAUAYJDJWCREF-QYZOEREBSA-N 352.471 4.896 50 1 FJGF BrCCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586972587 XGNFBZHZNZZBSR-UHFFFAOYSA-N 359.267 4.860 50 1 FJGF CCOc1ccc([C@]2(CCl)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962958701 UUAIHSDCKAZYBZ-AOMKIAJQSA-N 368.908 4.973 50 1 FJGF O=C1OC(=O)c2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)ccc21 586905901 GEYASAWXCMULPG-UHFFFAOYSA-N 364.360 4.847 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Br)CC3 587101815 MYSSQMZJVJSPET-CQSZACIVSA-N 350.215 4.828 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C(C=O)=C[C@@]3(C)[C@@H](O)C[C@H]21 35907066 DYYUCJSMROWEPH-YDDDFPBNSA-N 374.565 4.512 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587188188 PKMRAJLRYGLUDI-WDZFZDKYSA-N 373.641 4.746 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCCC1 587544895 PMDIWEUTVIQBLR-FXAWDEMLSA-N 358.821 4.522 50 1 FJGF CC1=C[C@@H]2[C@H](CC1)[C@](C)(NC=O)CC[C@H]2[C@]1(C)CC[C@@H](Cl)C(C)(C)O1 85639631 CFIKBMDDAXJTEV-WHHPXKAQSA-N 367.961 4.829 50 1 FJGF CC[C@@H](/C=C/C=C\C[C@H](/C=C/CCCCCCC(=O)OC)OO)OO 102183005 VSFQDXUQTUGXLX-GXHYETSJSA-N 356.459 4.685 50 1 FJGF CC1=CC=C[C@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@@H]4S3)S[C@H]12 27193298 VWFYYOQGNYFXME-FVCCEPFGSA-N 350.559 4.690 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H](C3)[C@H]2Cl)[C@H]1c1ccc(F)cc1 587333113 VBFPIMULVQGEEB-CBMRUDEESA-N 372.823 4.666 50 1 FJGF N#CSCCOc1ccc(Oc2cccc(Br)c2)cc1 29544316 AGAKKJUUZPTPRC-UHFFFAOYSA-N 350.237 4.834 50 1 FJGF CC1=C[C@@H]2[C@@H](CC1)[C@](C)(NC=O)CC[C@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 166255426 CFIKBMDDAXJTEV-VQBCACJISA-N 367.961 4.829 50 1 FJGF CC[C@H](C)[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963122853 OUCILARYVOBUIT-LKFCYVNXSA-N 351.115 4.775 50 1 FJGF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](C2=O)[C@@H](Cl)CC[C@H]1C 2356624387 WFMXNCWOAAUPCM-ZBRVFXHOSA-N 352.858 4.684 50 1 FJGF CC(C)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327609 QHLPBPPVKFYOTI-AZUAARDMSA-N 362.828 4.914 50 1 FJGF CC1=CC=C[C@H]2N=C(SSC3=N[C@H]4C=CC=C[C@@H]4S3)S[C@@H]12 169364876 VWFYYOQGNYFXME-RNJOBUHISA-N 350.559 4.690 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(C)s1)CC2=O 587494603 MOQKZVGXHTXLRA-SFHVURJKSA-N 350.867 4.814 50 1 FJGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl 253664597 CJJGOHKZGMAAPQ-FIDNZITISA-N 371.116 4.555 50 1 FJGF O=C1C[C@]2(CCCCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587499855 VOQCUAUJXROSFS-HKUYNNGSSA-N 363.295 4.997 50 1 FJGF CC[C@H](/C=C/C=C/C=C/[C@@H](CCCCCCCC(=O)OC)OO)OO 102182940 UCGDFIITNRZSQM-GVOJGUNCSA-N 356.459 4.685 50 1 FJGF CC1(C)[C@H](Cl)CC=C([C@H](Cl)CBr)[C@@H]1Br 85951853 KLDHSFADDPCRTJ-HLTSFMKQSA-N 364.936 4.716 50 1 FJGF biogenic COc1ccc(Cl)cc1C#Cc1cc(F)c(CBr)c(F)c1 587915871 YZEGRKYLEQLOSS-UHFFFAOYSA-N 371.608 4.922 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(CCl)o2)s1 587920607 JHTFABVWRWJTBX-UHFFFAOYSA-N 365.241 4.599 50 1 FJGF CCc1ccc(C(=O)NN(C(=O)c2cccc3ccccc23)C(C)(C)C)cc1 38964251 ZWMFZYFOLFXETA-UHFFFAOYSA-N 374.484 4.988 50 1 FJGF CCOc1ccc([C@@]2(CCl)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962958705 UUAIHSDCKAZYBZ-OPAMFIHVSA-N 368.908 4.973 50 1 FJGF CCCCS[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857547136 OAZZGWIDFNLQFG-YRPRCUQKSA-N 356.528 4.728 50 1 FJGF Cc1cc(F)c([C@@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)cc1F 963098673 JAAZXRHBZFISIM-FOIQADDNSA-N 365.826 4.915 50 1 FJGF COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1C 586973827 OZBFOIRCGBSVTK-GFCCVEGCSA-N 359.267 4.927 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)c(F)c1)CC2=O 587466095 JRDVAIPLUAWHEM-IBGZPJMESA-N 366.791 4.722 50 1 FJGF O=C(O)c1cccc2c(CCBr)c(-c3ccc(F)cc3)[nH]c12 587637386 HXPFHIZICDDLGI-UHFFFAOYSA-N 362.198 4.610 50 1 FJGF Cc1cc([C@@H](Cl)c2ccc(F)cc2)nc(Nc2ccc(C#N)cc2)n1 169349002 JSCRICQIWDZRGU-SFHVURJKSA-N 352.800 4.868 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2ccc(Br)cc2[nH]1 587086947 JUSIKFIQBPZLFM-SECBINFHSA-N 350.029 4.510 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)c(Cl)c1)O2 587372337 KKUHXKXFUNHEIP-QGZVFWFLSA-N 370.663 4.984 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419592 FHUTURNIAPFYQW-KXBFYZLASA-N 363.240 4.620 50 1 FJGF Cc1cc(C)cc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1 653913875 KKEVFEBSDCWDPV-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF Cc1ccc(/C=N/NC(=O)c2ccc(-c3cccc(Cl)c3)nc2C)cc1 1857630935 JOHATVRYMSWLPF-YDZHTSKRSA-N 363.848 4.783 50 1 FJGF Cc1ccnc2c1CCN[C@]2(CCCCl)c1ccccc1C(F)(F)F 963066321 GQVOFOJMGOIRSM-GOSISDBHSA-N 368.830 4.817 50 1 FJGF C[C@@]1(c2ccc(O)c(CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499926 WPEDIRMARAUAGR-NRFANRHFSA-N 356.849 4.890 50 1 FJGF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1NC(=O)CBr 587627610 FJNIFAITCIBFMW-UHFFFAOYSA-N 361.642 4.591 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCl)c2)N1 587686377 UPEFXNMMWSAGBP-QGHHPUGFSA-N 368.677 4.951 50 1 FJGF CC(=O)OCC1=C(C=O)[C@H]([C@@H](C=O)CCC=C(C)CCC=C(C)C)CC1 2356624362 WASCKIDXJIYGSY-CTNGQTDRSA-N 360.494 4.743 50 1 FJGF O=C(CCCCl)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587208845 CBXMYTVQCRQOEY-UHFFFAOYSA-N 350.849 4.958 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(C)s1)CC2=O 587494594 MOQKZVGXHTXLRA-GOSISDBHSA-N 350.867 4.814 50 1 FJGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cc(F)c(C)cc1F 963257600 LJMQLHJVHMIZMT-GOSISDBHSA-N 372.242 4.563 50 1 FJGF Cc1cccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)c1 103176483 SOIVMOXXIBUJLJ-DLBZAZTESA-N 357.240 4.892 50 1 FJGF C/C=C/[C@H](C/C=C\C=C\[C@H](CCCCCCCC(=O)OC)OO)OO 102183025 UITLMMCUHHCJIE-CDXRBTLZSA-N 356.459 4.685 50 1 FJGF Cc1c([C@H](C)Br)[nH]c2c1c(Br)cc1n[nH]cc12 587620779 GXVYSKKYFXRXGO-LURJTMIESA-N 357.049 4.571 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C/C/C=C/C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 195351881 XSVVTBMSEOBKQC-GYUVQANCSA-N 352.902 4.545 50 1 FJGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@H]1c1ccc(OCC)cc1 102337009 PZHJDDXCVZCLLY-GMQRBVGNSA-N 370.474 4.714 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(F)c(F)c2[nH]1 586973342 IAFPYOIDDRKBRR-VIFPVBQESA-N 351.194 4.888 50 1 FJGF CN[C@@H](c1cccnc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587222431 KUYFQEDVFATEHA-ZDUSSCGKSA-N 364.343 4.924 50 1 FJGF O=C1C[C@@]2(CCCCC[C@H]2Br)Oc2c1ccc1c2CCCC1 587499856 VOQCUAUJXROSFS-IEBWSBKVSA-N 363.295 4.997 50 1 FJGF COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501461 BQXLQQGMAUTRGR-OAQYLSRUSA-N 374.839 4.813 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2Cl)N1 587707723 WSBYYKJKQKBGHS-HPEXNQPKSA-N 360.698 4.889 50 1 FJGF COC(=O)C[C@@H]1OO[C@@](C)(/C(C)=C/C(C)=C/Cc2ccccc2)C[C@H]1C 42876492 LAGNUDBDOYDACD-AODWKPKRSA-N 358.478 4.800 50 1 FJGF Cc1cc2cc(OC(=O)CCCBr)cc3oc(C)cc(n1)c23 169350423 FGLXBGUHTUYESS-UHFFFAOYSA-N 362.223 4.678 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(/C=C/C=O)c1F)CC2=O 587466141 KAXGXFMBLLKIHT-QNBZTBGESA-N 368.404 4.577 50 1 FJGF CC(=O)Oc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626611 TWXKKXPNXXFZJA-UHFFFAOYSA-N 359.653 4.870 50 1 FJGF N#Cc1ccc2[nH]cc(-c3[nH]c4cccc([N+](=O)[O-])c4c3CCCl)c2c1 587644968 SIEYTPNSAQIHHM-UHFFFAOYSA-N 364.792 4.877 50 1 FJGF CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1 28565434 APOATGANPNURQM-OEAKJJBVSA-N 352.478 4.751 50 1 FJGF CN1CCc2c(Br)cccc2[C@H]1c1ccccc1CCl 963278484 BJZFVXTULJBHJZ-QGZVFWFLSA-N 350.687 4.765 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1ccc(C#N)cc1 1857603537 FINJHAQGTBPEME-IBGZPJMESA-N 357.800 4.583 50 1 FJGF CCc1[nH]c2c(c1CC)/C(=N/NC(=O)Nc1cccc(SC)c1)CCC2 40829425 CHWOIWSHVXWKAE-PTGBLXJZSA-N 370.522 4.724 50 1 FJGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@H]1c1cc2ccccc2nc1S 103189166 URQIQESVWAFLKK-DLBZAZTESA-N 354.862 4.527 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1csc3ccccc13)O2 587412441 CJCPENZEQNTUMS-LJQANCHMSA-N 357.862 4.891 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@](C)(O)[C@@H]2/C=C1\C(O)=CC(=O)[C@@H]1Cl 137161172 SQHLFXFQWCHRBG-QJRYEUMFSA-N 352.902 4.538 50 1 FJGF CC(C)CC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587688751 NUAXMHDPLTZRNB-BDJLRTHQSA-N 362.714 4.993 50 1 FJGF COCCOc1ccc2[nH]cc(/C(C#N)=C/c3cccc4cnccc34)c2c1 1857767936 NAOHAQVLCBVZGF-WOJGMQOQSA-N 369.424 4.805 50 1 FJGF Cc1ccc(/C=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 33702402 AXWYIEFZXFZMML-MTJSOVHGSA-N 365.260 4.611 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(/C=C\C=O)c1F)CC2=O 587466142 KAXGXFMBLLKIHT-ZQAYIGKJSA-N 368.404 4.577 50 1 FJGF Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2ncnc2n1 71294851 IAAZASDRCXBBAZ-UHFFFAOYSA-N 351.304 4.834 50 1 FJGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@H]1c1cc2ccccc2nc1S 103189173 URQIQESVWAFLKK-IAGOWNOFSA-N 354.862 4.527 50 1 FJGF COc1ccc(Cl)cc1C#Cc1csc(-c2noc(CCl)n2)c1 587919283 XTMGMUGFGWBOLL-UHFFFAOYSA-N 365.241 4.599 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1Br)CC2=O 587458152 GVNWEJXKVJTWDS-WMZOPIPTSA-N 367.283 4.776 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccc3cc[nH]c13)CC2=O 587459185 GRZDSZHWYKZOID-NRFANRHFSA-N 369.848 4.926 50 1 FJGF CCCCC[C@@H]1O[C@H]1CC=CCC=CC=C[C@@H](CCCC(=O)O)OO 2356343277 KTJVOVFOUDDZLQ-FHWLQOOXSA-N 352.471 4.896 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)/C(=C/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106432 WPQUGOUDKIYTIU-QNWICVEMSA-N 356.462 4.909 50 1 FJGF CCc1cccc2c([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587372353 KRGNWQXRPYFVKA-NRFANRHFSA-N 368.864 4.720 50 1 FJGF Cc1ccc([C@@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375841 VJECRSBVOMZNBK-DJJJIMSYSA-N 374.278 4.530 50 1 FJGF CCc1ccc(CC)c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587417474 MTVJGQIQUDRQRP-GCJKJVERSA-N 370.876 4.702 50 1 FJGF O=C(N/N=C/C1=Cc2ccccc2O[C@H]1c1ccccc1)c1ccc(F)cc1 1772621490 ARZTZDZQEYIFGJ-IBUSPFOHSA-N 372.399 4.759 50 1 FJGF Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccc(SC#N)cc1 104696492 CLECRSHGRQDBAK-UFFVCSGVSA-N 368.849 4.864 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1cccs1)CC2=O 587494151 JPUMKYCBXBKBAE-GOSISDBHSA-N 350.867 4.896 50 1 FJGF N#Cc1ccc2[nH]cc(-c3[nH]c4c(C(=O)O)cccc4c3CCCl)c2c1 587638515 MSXNLJDJMZRZFX-UHFFFAOYSA-N 363.804 4.667 50 1 FJGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@]12NCCc1nc3ccccn3c12 962986360 SXEAJEDUFMWYRW-LAUBAEHRSA-N 371.601 4.640 50 1 FJGF CC(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972942 CYEZPJQEUILHRY-LLVKDONJSA-N 357.251 4.812 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586973764 ODECTUQOUKXJER-SNVBAGLBSA-N 360.211 4.518 50 1 FJGF N#C/C(=C\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)O 205336333 HVZSJLIGRHWSJP-PXLXIMEGSA-N 368.436 4.885 50 1 FJGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 101406937 RVWXMIWQPXTIQD-GFOJFJKKSA-N 356.487 4.556 50 1 FJGF N#Cc1ccc2c(C(=O)/C=C\c3ccc(/C=C\C(=O)Cl)cc3)coc2c1 587279637 YPCGYOOWCZIDMN-LFPVQMOXSA-N 361.784 4.979 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@H](C)Cl)O2 587371119 DEPQJDNTKAVROL-FKIZINRSSA-N 354.837 4.547 50 1 FJGF C=C[C@@]1(C)[C@H](N=C)[C@]2(O)c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@H]1Cl 2356578739 CZZUVXKBVZAPLB-VSHGRSIOSA-N 356.897 4.536 50 1 FJGF CCCCCC[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412379 BFMZURCONIRINK-RDTXWAMCSA-N 367.283 4.547 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@H]1Cl 587463368 YBFWHSUTQHSWSA-FPOVZHCZSA-N 356.849 4.759 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@]2(C)CCl)N1 587686443 VJPGXENFNBOKGD-HPEXNQPKSA-N 360.698 4.747 50 1 FJGF COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNc1ccccc1 36311324 WQHSKTAHWLQAGK-UHFFFAOYSA-N 369.424 4.667 50 1 FJGF in-vivo O=C(CCc1cccc2ccccc12)NNc1c(Cl)cncc1Cl 84759560 NEWMWWQHQZMOQV-UHFFFAOYSA-N 360.244 4.618 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(Cl)c(C(=O)Cl)cc1F 587914739 CMEZWSQFPGYAHT-UHFFFAOYSA-N 357.595 4.920 50 1 FJGF C[C@H](C[C@@]12C=C[C@]3(OO1)C(C)(C)CCC[C@@]3(C)O2)OC(=O)c1ccccc1 43426950 WYUKKHOCOCLVBS-DHWLSRIRSA-N 372.461 4.574 50 1 FJGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 44032128 RVWXMIWQPXTIQD-MJUUVYJYSA-N 356.487 4.556 50 1 FJGF O=C1C[C@@]2(CCC[C@@H]2CCBr)Oc2c1ccc1c2CCCC1 587498988 KYBLPCGULCVADV-AUUYWEPGSA-N 363.295 4.855 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCCCC1 587541992 FEMOHRJUNGWXJA-RXVVDRJESA-N 372.848 4.912 50 1 FJGF ClCCCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 29203080 URYLDSLZOYJCKZ-UHFFFAOYSA-N 365.908 4.653 50 1 FJGF CCOC(=O)[C@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587101707 LFGFNACWIGUGQP-GOSISDBHSA-N 365.816 4.598 50 1 FJGF O=C1C[C@@](CCl)(COc2ccccc2)Oc2c1ccc1c2CCCC1 587496343 CKGDWGBHTHAUGQ-OAQYLSRUSA-N 356.849 4.587 50 1 FJGF Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccc(SC#N)cc1 104696533 AAORAVHEBKNSND-UFFVCSGVSA-N 368.849 4.864 50 1 FJGF C[C@H](Br)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985377 VIFICULETXAQFO-VIFPVBQESA-N 354.203 4.608 50 1 FJGF CC(=O)OCC1=C(C=O)[C@@H]([C@@H](C=O)CC/C=C(\C)CCC=C(C)C)CC1 34235886 WASCKIDXJIYGSY-IXWVXVNJSA-N 360.494 4.743 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCC3)CC2=O 587462129 WNMDPAGZNPJZIH-JOCHJYFZSA-N 370.876 4.933 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(OO)[C@@H]3CC[C@@]12C 2356792924 GYWWPFYRAUPILD-YBYOCDOASA-N 362.510 4.985 50 1 FJGF N#C/C(=C1\C=C(Br)C(=NO)C=C1Cl)c1ccc(Cl)cc1 254047463 ZLUIJLPDZFBGBE-PCPHJQSQSA-N 370.033 4.862 50 3 FJGF CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cccc3cnccc23)cc1 95579104 HOFPVFVFOSSUCE-KVGCDDTPSA-N 371.484 4.786 50 1 FJGF CC(C)(C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320469 AJNGPBZFSYGMAI-XLIONFOSSA-N 362.828 4.914 50 1 FJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1CCl 587895364 CRNYZFVGYPHRMK-UHFFFAOYSA-N 372.704 4.504 50 1 FJGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/CN1CCCCC1 195333774 MCSIWIJRZDXKGN-UJABLKTASA-N 369.622 4.570 50 1 FJGF COc1ccc(Oc2ccc3c4c(cccc24)C(=O)C3=C(C#N)C#N)cc1 95590509 GVKROZXKOSQFDA-UHFFFAOYSA-N 352.349 4.638 50 1 FJGF Cc1cccc(/C=N/NC(=O)c2ccc(-c3nc4cccc(C)c4[nH]3)cc2)c1 299824240 BKMCWQKEJKTVKA-ZVHZXABRSA-N 368.440 4.611 50 1 FJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCCl)cc1)CC2=O 587458422 BICNPOZWLGPZCV-FQEVSTJZSA-N 373.880 4.726 50 1 FJGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(C)cc3)(C(F)(F)F)C2)cc1 1772613890 GPDLFGWFXCTNMX-FQEVSTJZSA-N 370.374 4.558 50 1 FJGF CC1(C)[C@@H](Cl)C([C@H](Cl)CBr)=CC[C@H]1Br 2356860342 UEECDOMJRAGCEE-HLTSFMKQSA-N 364.936 4.716 50 1 FJGF C=C(CC[C@H](O)c1ccccc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176240 MKOUBZJMSGWTPI-LAXPSPDDSA-N 370.489 4.556 50 1 FJGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 101413255 RVWXMIWQPXTIQD-HZEGPAAWSA-N 356.487 4.556 50 1 FJGF Cc1cc(F)c([C@@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1F 963098679 JAAZXRHBZFISIM-MGPUTAFESA-N 365.826 4.915 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]cc(c34)[C@@]2(O)[C@@H]1N=C 2356578738 CZZUVXKBVZAPLB-JGPVLXDFSA-N 356.897 4.536 50 1 FJGF COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586971186 OGFVFTJTBGIJCP-JTQLQIEISA-N 369.156 4.582 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1cc(F)cc(F)c1 1857596899 LHQFKVDBJUEKBL-GOSISDBHSA-N 368.770 4.990 50 1 FJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccccc1 1857627674 MADTVHUKJREECX-GOTSBHOMSA-N 369.468 4.638 50 1 FJGF Cc1ccc(O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103105634 ONMOKNITOLPIIM-OFKABPELSA-N 374.477 4.582 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@]2(C)CCl)N1 587686465 VJPGXENFNBOKGD-UHNFBRDESA-N 360.698 4.747 50 1 FJGF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl 49872338 CJJGOHKZGMAAPQ-RVBZMBCESA-N 371.116 4.555 50 1 FJGF CC[C@H](/C=C/[C@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182966 VLSAMZWSXZHGGX-WFMSJHRQSA-N 356.459 4.685 50 1 FJGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(-n3cccc3)c2)ccc1OC 73198853 ZWNFGCDZTYYBMZ-ODLFYWEKSA-N 374.440 4.848 50 1 FJGF Cc1cc(/C=C/C#N)ccc1Oc1ccnc(Nc2ccc(C#N)cc2)n1 1554276 UJSUZEWLZNRPRQ-NSCUHMNNSA-N 353.385 4.729 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCC1CCCC1)O2 587374233 OTMQWAOFWWXSGP-GOSISDBHSA-N 366.299 4.647 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169370285 XSVVTBMSEOBKQC-KWBGSNKGSA-N 352.902 4.545 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)([C@H](C)Cl)[C@@H](C2)C3=O 587416501 AKQZYGQTLSXEEK-IBNJYYFUSA-N 356.849 4.582 50 1 FJGF FC(F)(F)c1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008413 OPRMKELUHNMUMM-LURJTMIESA-N 361.976 4.863 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587187054 BFNXIFLDWVEBRI-WUXMJOGZSA-N 356.198 4.837 50 1 FJGF CC(C)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327612 QHLPBPPVKFYOTI-QUCCMNQESA-N 362.828 4.914 50 1 FJGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)c(Cl)cc2[nH]1 586971182 OFSDFOPZLWFXHC-JTQLQIEISA-N 352.059 4.731 50 1 FJGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Br)c1ccccc1 587279934 VHLQGPDGMMLIHS-HNNXBMFYSA-N 360.163 4.660 50 1 FJGF FC(F)(F)[C@@]1(C(Cl)Cl)c2ccsc2CCN1Cc1ccco1 962714909 RQSNTRGAYAQLAM-ZDUSSCGKSA-N 370.223 4.961 50 1 FJGF Cc1ccc([C@@H](Cl)Cn2ncc3c(Nc4ccccc4)ncnc32)cc1 96272488 ZVKVDKXZKDBLAP-SFHVURJKSA-N 363.852 4.858 50 1 FJGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H](Br)Cc1ccccc1 587279387 INAFDEYIZNSTRC-OAHLLOKOSA-N 374.190 4.530 50 1 FJGF COc1ccc(Cl)cc1C#Cc1c(F)cccc1CBr 587915922 VZWTUPBEAXWZHI-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF CCCC[C@@H](Br)C(=O)C(Br)=C(Cl)Cl 13450054 ARNXGWUIOAHVBE-RXMQYKEDSA-N 352.881 4.551 50 1 FJGF biogenic CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(OC)cc1)CC2=O 587460014 KNZOBFPCYVDQIY-NRFANRHFSA-N 374.864 4.843 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(F)cc1CBr 587916292 GOXGWDDKMDTZNI-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ccccn1 963195962 PSDBQXKPACATRJ-GGAORHGYSA-N 373.887 4.687 50 1 FJGF Cc1cccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2S)c1 103189186 NXZHYXHOYXKVHQ-IAGOWNOFSA-N 354.862 4.527 50 1 FJGF CC(=O)O[C@@H]1C/C(C)=C/C/C=C(/C=O)[C@H](C=O)[C@H]1[C@@H](C)CCC=C(C)C 141715725 BRAYWWGCSCTEOS-RMTDVKMPSA-N 360.494 4.597 50 1 FJGF CCc1ccc(CC)c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587417477 MTVJGQIQUDRQRP-XMSQKQJNSA-N 370.876 4.702 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCCCC1 587541994 FEMOHRJUNGWXJA-WIYYLYMNSA-N 372.848 4.912 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)c(C)c1)CC2=O 587466625 MQWYBOMUSCPCKV-HXUWFJFHSA-N 362.828 4.892 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587087384 PHCJPSQEAISBPM-VIFPVBQESA-N 357.120 4.905 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(C)cc1C)[C@@H](C2)C3=O 587416645 BVGNSXUZZOFUDX-LAUBAEHRSA-N 356.849 4.502 50 1 FJGF CC(=O)OCC1=C(C=O)[C@@H]([C@@H](C=O)CCC=C(C)CCC=C(C)C)CC1 2356624369 WASCKIDXJIYGSY-TZIWHRDSSA-N 360.494 4.743 50 1 FJGF CC(=O)OC1=C(C)[C@]2(OO)C3=C(C1=O)[C@@H](C)CC[C@@H]3[C@@H](C)C[C@@H]2C=C(C)C 138881765 CBGPGHURUHBMHR-XWKKUDMKSA-N 374.477 4.600 50 1 FJGF CCCCCC[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412378 BFMZURCONIRINK-KDOFPFPSSA-N 367.283 4.547 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(OO)[C@H]3CC[C@@]12C 2356792923 GYWWPFYRAUPILD-WTSGAWDXSA-N 362.510 4.985 50 1 FJGF CC(C)(C)c1ccc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc1 49695604 HMUIATLYRCNFSD-OAQYLSRUSA-N 359.510 4.804 50 1 FJGF CC1=CC=C[C@@H]2N=C(SSC3=N[C@H]4C=CC=C[C@@H]4S3)S[C@H]12 27193301 VWFYYOQGNYFXME-ZDEQEGDKSA-N 350.559 4.690 50 1 FJGF CCOCC1=C(c2ccc3c(c2)OCO3)Nc2cc(OC)ccc2[C@@H]1Cl 102009299 ZLHWMBMZRFDQIN-IBGZPJMESA-N 373.836 4.577 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(COc1ccc(C(C)C)cc1)O2 587371215 DYZDEXLUJRAOBD-NRFANRHFSA-N 373.880 4.722 50 1 FJGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2ccc(F)c(F)c2)cs1 587921906 ATZZHCNWRUUNDF-XGICHPGQSA-N 356.353 4.564 50 1 FJGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc(Cc2ccccc2)c1 38145344 XPABJZVCNQYHFZ-ZBJSNUHESA-N 357.482 4.803 50 1 FJGF C=C(CC[C@H](O)c1ccccc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176244 MKOUBZJMSGWTPI-HHUJENDASA-N 370.489 4.556 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587188891 YATSGCQXRBAALA-ZDLGFXPLSA-N 365.440 4.767 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCl)cc2)N1 587683411 GWSWOGYEQXEWAA-BTDLBPIBSA-N 368.677 4.951 50 1 FJGF CC1(C)[C@H]2CC[C@@H]3[C@@H](CCCO)CSSCCC4=C(C2)[C@]31CC4=O 2356353806 SWIZQCAKOIUUQD-AQXBJYLJSA-N 366.592 4.872 50 1 FJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)C(=C)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 55922678 WNCZWKCUIVEIGJ-PGWLQFJSSA-N 365.945 4.973 50 1 FJGF C=C([C@H](CC)OO)[C@@H]1C(C)=C[C@]2(C)[C@@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356792119 JIRQMGICGBYTAW-DFGDFYFOSA-N 374.477 4.560 50 1 FJGF CC/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28639404 BHFQKUALRNOLTO-HCBMXOAHSA-N 361.489 4.828 50 1 FJGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@@H](Cl)c1ccc(F)cc1 169349008 PFOALFHNBUSGMO-KRWDZBQOSA-N 352.800 4.868 50 1 FJGF CC1(C)[C@H]2CC[C@H]3[C@H](CCCO)CSSCCC4=C(C2)[C@]31CC4=O 2356353812 SWIZQCAKOIUUQD-URYASSDKSA-N 366.592 4.872 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)[C@@H](C)Cl)cc1C 587899546 CZGZUFONXTVKJU-CYBMUJFWSA-N 362.256 4.623 50 1 FJGF N#Cc1ccc2[nH]cc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3CCCl)c2c1 587644620 IGSJFEDLTDRGPJ-UHFFFAOYSA-N 364.792 4.877 50 1 FJGF CCCC[C@H](Cl)C(=O)C(Br)=C(Cl)Br 2356614260 NMDPPOUMKSWJMM-YFKPBYRVSA-N 352.881 4.551 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)cc(C)cc1C)[C@@H](C2)C3=O 587416512 ARMQCNICKPAAGE-HRAATJIYSA-N 356.849 4.502 50 1 FJGF O=C1C[C@]2(CCC[C@@H]2CCBr)Oc2c1ccc1c2CCCC1 587498990 KYBLPCGULCVADV-KUHUBIRLSA-N 363.295 4.855 50 1 FJGF O=C(N/N=C/c1cccs1)c1ccc(-c2nc3ccccc3s2)cc1 299870048 VTOGRFLVWRPAGP-UDWIEESQSA-N 363.467 4.789 50 1 FJGF C=C[C@](C)(Cl)[C@H](Br)/C=C/[C@@](C)(Cl)CBr 238746766 GMRISVPDHRWESB-XUPSJDPGSA-N 364.936 4.882 50 1 FJGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 253678103 RVWXMIWQPXTIQD-KCLUMXDGSA-N 356.487 4.556 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CCBr)CC2=O 587455392 BIQBJIZYICEPSE-XIKOKIGWSA-N 367.283 4.634 50 1 FJGF O=C(NNc1cccc2ncccc12)C1(c2ccccc2F)CCCCC1 40952913 SGNWRWYLGDKDCE-UHFFFAOYSA-N 363.436 4.719 50 1 FJGF C=CCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326918 NLLQGBSIYFPWIL-UYAOXDASSA-N 360.812 4.834 50 1 FJGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 103167933 PZKLFRQNBZRSAX-CVEARBPZSA-N 361.203 4.723 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)ncc2[nH]1 586973668 MQJIFRYBHPPDDS-VIFPVBQESA-N 350.647 4.658 50 1 FJGF C[C@@H](CCl)N(C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40896143 LXNKGVSSFCNCRI-NSHDSACASA-N 350.245 4.659 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CCl)c1)CC2=O 587460777 PGAREUPGSQZSCB-NRFANRHFSA-N 374.864 4.973 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CCl)c1 587545342 OVXZGCBYVCBDJI-RXVVDRJESA-N 366.800 4.834 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccccc1-c1nnc(CCl)o1 587902701 MTVBAHKRYLWBJB-UHFFFAOYSA-N 359.212 4.537 50 1 FJGF O=C(Nc1ccc2ccccc2c1)c1cc2cc(CCl)ccc2oc1=O 1660779 LHCCVBZNXRRLDN-UHFFFAOYSA-N 363.800 4.937 50 1 FJGF CCCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587374497 YNBIBYQWEQMWKB-FQEVSTJZSA-N 360.885 4.505 50 1 FJGF CC(=O)O[C@@H]1CC(C)=CCC=C(C=O)[C@H](C=O)[C@H]1[C@H](C)CCC=C(C)C 2356389653 BRAYWWGCSCTEOS-XYEHWOGUSA-N 360.494 4.597 50 1 FJGF COc1ccc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1OC 103650116 RSOOTTPDCIHHRN-IBGZPJMESA-N 352.434 4.672 50 1 FJGF C[C@]1(c2cccc(/C=C/C=O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504937 OUJKSGPUSHKNRJ-NPOAWEEOSA-N 364.416 4.797 50 1 FJGF C=C([C@H](CC)OO)[C@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 86001565 KCVANSMZNKFAEW-NJNPRVFISA-N 374.477 4.870 50 1 FJGF biogenic Cc1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103105458 ONMOKNITOLPIIM-BWOXILCISA-N 374.477 4.582 50 1 FJGF O[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCOCC1 586913821 PWLPITFXAQNNPV-GFCCVEGCSA-N 358.332 4.680 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCCC1)CC2=O 587456261 LQYXBSWCMVRSIU-SFHVURJKSA-N 367.283 4.634 50 1 FJGF CC(=O)c1csc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531002 HVBDFJADLMVDMM-HXUWFJFHSA-N 374.889 4.929 50 1 FJGF FC(F)(F)c1c(Br)ccc2nc([C@@H](Cl)CCl)[nH]c12 587009134 XBFCKHCKBRVYHW-YFKPBYRVSA-N 361.976 4.863 50 1 FJGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@H]1c1ccc(Cl)cc1 104029465 BSQMRDAZFJXZEY-YWJBVVMDSA-N 360.866 4.968 50 1 FJGF Oc1cc(CCl)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 66113205 FVPSZMQMOCLJTF-UHFFFAOYSA-N 362.138 4.513 50 1 FJGF C#C/C=C\C[C@H](O)[C@@H](Cl)C/C=C\C[C@@H](Cl)[C@@H](Br)CC 169347538 GGOGTQISOAHDFM-GLISDHPESA-N 368.142 4.652 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@@H](C)Cl)O2 587371285 FGBZDEIFTZETRN-LRTDBIEQSA-N 355.865 4.554 50 1 FJGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)c(OC)c1 19774588 YSXSBXUKBRXUFU-LJQANCHMSA-N 352.434 4.672 50 1 FJGF C[C@@H](C[C@@]12CC[C@]3(OO1)C(C)(C)CCC[C@@]3(C)O2)OC(=O)c1ccccc1 43427078 MQZUEILZXBIANH-ZJQURUERSA-N 374.477 4.798 50 1 FJGF C[N+](C)(C)CCCCCCCCCCCCCSS(C)(=O)=O 39001821 HCQJSWUFRMNETG-UHFFFAOYSA-N 352.630 4.677 50 1 FJGF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCl)c2)N1 587686376 UPEFXNMMWSAGBP-DYZYQPBXSA-N 368.677 4.951 50 1 FJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)CC(C)(C)C1CC1 963032384 ILNSKXOVBLUHNV-OAQYLSRUSA-N 358.913 4.650 50 1 FJGF CCC(CC)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689008 OQKQJEXWFJWQFR-QFYYESIMSA-N 362.714 4.993 50 1 FJGF CC1(C)[C@H](Br)C(=CCBr)[C@H](Cl)C[C@H]1Cl 2356426154 XOVLIHYBBINBFV-IWSPIJDZSA-N 364.936 4.716 50 1 FJGF CS(=O)(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 1857599474 HRMRAFDDRICLDE-RIYZIHGNSA-N 368.241 4.695 50 1 FJGF CC1=C[C@H]2[C@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@@H]2CC1 39139278 CFIKBMDDAXJTEV-DOVHUEEUSA-N 367.961 4.829 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N=C=S)c1)CC2=O 587493104 QRMMZYKGOWXMRH-HXUWFJFHSA-N 353.443 4.960 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2ccc(Br)c(F)c2[nH]1 587086941 JQMDXZFSXJQCHB-VIFPVBQESA-N 368.019 4.649 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(-c2nnc(CCl)o2)c1 587904898 CCBBNHSHERXNGU-UHFFFAOYSA-N 359.212 4.537 50 1 FJGF Cc1cc(Br)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1 587087713 TVSVZBICTTZGBJ-JTQLQIEISA-N 364.056 4.818 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1c(F)cccc1Cl)O2 587380489 ACYQIGYNSLGQHI-GOSISDBHSA-N 368.235 4.555 50 1 FJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccccc1 1857627675 MADTVHUKJREECX-ZRZAMGCNSA-N 369.468 4.638 50 1 FJGF C/C=C/CCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 44352527 KSKGQTBFDMXQNE-SRXMEYSWSA-N 354.487 4.866 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(Br)c(F)cc2[nH]1 587086616 FKLISKHTMAYQEG-SECBINFHSA-N 368.019 4.649 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587188186 PKMRAJLRYGLUDI-IZZDOVSWSA-N 373.641 4.746 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](C)Cl)O2 587372161 JWGFBMKVWNVRNN-ZMZPIMSZSA-N 350.245 4.719 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587417690 OMWFPBXXKFOLNJ-WBUIGNHESA-N 363.240 4.619 50 1 FJGF Oc1nc(O)c2ccc(-c3cccc(S(F)(F)(F)(F)F)c3)nc2n1 587369174 DKDMXLNRUBBXEH-UHFFFAOYSA-N 365.283 4.760 50 1 FJGF CCCCCCCCCCn1c(C)c(CC(=O)NN)c2cc(OC)ccc21 37858530 JQYPYWZNDOXEGU-UHFFFAOYSA-N 373.541 4.631 50 1 FJGF CO[P@@](=O)(c1ccccc1)c1ccc2oc(-c3ccc(F)cc3)nc2c1 1911571472 DNZPRQQJTBYAPJ-SANMLTNESA-N 367.316 4.509 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]2(C)CCl)N1 587686467 VJPGXENFNBOKGD-VFVAKGGASA-N 360.698 4.747 50 1 FJGF C=C([C@H](CC)OO)[C@@H]1C(C)=CC(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C 86001557 KCVANSMZNKFAEW-NPPFBWRTSA-N 374.477 4.870 50 1 FJGF biogenic Cc1ccc([C@H](Cl)Cn2ncc3c(Nc4ccccc4)ncnc32)cc1 96272487 ZVKVDKXZKDBLAP-GOSISDBHSA-N 363.852 4.858 50 1 FJGF Cc1ccc2c3c(c(CCBr)cnc13)-c1ccccc1C2=O 586994348 YOVRUUFNXFJMEA-UHFFFAOYSA-N 352.231 4.692 50 1 FJGF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](CCCCl)[C@@H]2O 254013286 QVNXSMZFEJEFHR-XSMDAWSXSA-N 368.989 4.996 50 3 FJGF Cc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 169318577 IUCTXIDXIIZNOQ-BPXKWBHBSA-N 369.892 4.762 50 1 FJGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@@H]1COC2(CCCC2)OO1 43356600 JXXGGXSRIARBKK-RTWAWAEBSA-N 354.446 4.827 50 1 FJGF CCCCCCCOc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 43365974 LRQCJXUERBOBTR-XQNSMLJCSA-N 369.465 4.830 50 1 FJGF COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496738 FBBLVZBXWHXXEL-NRFANRHFSA-N 356.849 4.674 50 1 FJGF COC(=O)c1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625826 MTWTUSRKAKXJAR-UHFFFAOYSA-N 359.653 4.731 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(OO)[C@H]3CC[C@@]12C 2356401555 IZHVRQHEQOOTTN-HGMIMVGUSA-N 360.494 4.905 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)c(C)cc(C)c1C)O2 587374360 XJENSIOLKXCTAH-NRFANRHFSA-N 357.881 4.910 50 1 FJGF CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1cccc(Cl)c1)CCC2 40764316 OVHGEAGEBWBWFX-HAVVHWLPSA-N 358.873 4.743 50 1 FJGF N=c1n(CCCCCBr)c2ccccc2n1Cc1ccccc1 377438838 JEKVDPGTQAESNM-UHFFFAOYSA-N 372.310 4.536 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586973750 NUJHHIKQPSABRO-QMMMGPOBSA-N 368.637 4.797 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Cl 587542762 BBQZFFMNUHETJY-ABSDTBQOSA-N 358.821 4.664 50 1 FJGF ClC[C@@H](Cl)c1nc2c(Br)ccc(Br)c2[nH]1 587007946 JHRFADWALFNAKX-ZCFIWIBFSA-N 372.875 4.607 50 1 FJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@@H]2Cl 587502162 UEBHUPKJLXGZAU-UNMCSNQZSA-N 352.861 4.980 50 1 FJGF CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 38153949 DOXNOHMAKYRUIJ-IBGZPJMESA-N 353.853 4.770 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCCl)N1 587686884 XWKWFKARIRFHTH-YMTOWFKASA-N 369.105 4.576 50 1 FJGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@@H]1c1ccc(Cl)cc1 104029459 BSQMRDAZFJXZEY-XIGQLOAZSA-N 360.866 4.968 50 1 FJGF CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(N(C)C)ccc3[nH]2)cc1 299865629 NZXVNFZIKXRSGK-GHRIWEEISA-N 359.477 4.539 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 587187628 JQLZRTNACISOCB-MKMNVTDBSA-N 363.218 4.570 50 1 FJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)s1 587897800 VGZCVOPRKTZERG-UHFFFAOYSA-N 372.704 4.504 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586973763 ODECTUQOUKXJER-JTQLQIEISA-N 360.211 4.518 50 1 FJGF CC1(C)CCC[C@]2(C)[C@H]3C=C4C(=CC(=O)C(=O)[C@H]4Cl)O[C@@H]3CC[C@@]12C 169721592 OYLYUBNDJBABFP-PHWYYDIVSA-N 362.897 4.587 50 1 FJGF CN(CCCl)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499946 WRZDVOPEHJAREB-OAQYLSRUSA-N 369.892 4.947 50 1 FJGF C=C1COOC2(CCC(Cc3ccc(C(F)(F)F)cc3)CC2)OOC1 43606109 CNPMRSVWLGYVNV-UHFFFAOYSA-N 358.356 4.601 50 1 FJGF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587377774 ZCVNBPKXGFUZCF-FQEVSTJZSA-N 359.853 4.595 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccccc2)N1 587683827 ICYBJYMBPLXTOH-GTNSWQLSSA-N 368.677 4.605 50 1 FJGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](Cl)c1ccccc1F)[C@@H](C2)C3=O 587425652 GDKLUMZVPCSDKK-ONGXBYRLSA-N 372.823 4.711 50 1 FJGF Cc1cnc(Cl)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc12 586974298 VEMSALAWTWSBNO-JTQLQIEISA-N 364.674 4.966 50 1 FJGF Cc1cc(/C=C/C#N)ccc1N(C)c1ccnc(Nc2ccc(C#N)cc2)n1 40587795 GSUSAKWTRVBFOZ-ONEGZZNKSA-N 366.428 4.705 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)cc1CCl 587899564 ACYQIXYKCATPTK-UHFFFAOYSA-N 351.229 4.504 50 1 FJGF O=c1cc(-c2ccccc2)oc2cc(OCCCBr)ccc12 66074058 MPKNTUNOHDJYMM-UHFFFAOYSA-N 359.219 4.624 50 1 FJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(CCl)c1 587897901 ZLVGQVAJYJAPIH-UHFFFAOYSA-N 372.704 4.504 50 1 FJGF CC[C@H](C=CC(C)=O)CCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356313264 VIKYMDHMJZRUGH-CGBFIWBNSA-N 354.487 4.698 50 1 FJGF N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)c1c[nH]c2ccccc12 16441489 CVAQDMVMESMVNF-VMPITWQZSA-N 362.257 4.653 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cnc(C(F)(F)F)cc1CCl 587914845 OTBBTPKJJUDTFF-UHFFFAOYSA-N 360.162 4.901 50 1 FJGF CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@@H](Cl)CO)CC[C@]21C 2356730818 JFQFGRCANCUAGD-UBTCDGAASA-N 354.918 4.620 50 1 FJGF CCN(CC)CCOc1ccc(/C=C(\C#N)c2noc3ccccc23)cc1 40506543 WJZIHFBSTBCMHL-OBGWFSINSA-N 361.445 4.613 50 1 FJGF N#C/C(=C/c1cccs1)CNC(=O)Nc1ccc(Cl)cc1Cl 40565495 GNHVEQIGSNCTGJ-POHAHGRESA-N 352.246 4.784 50 1 FJGF C[C@H](Br)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587007860 FMZOUCLHXYRODC-BYPYZUCNSA-N 371.982 4.800 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1C)([C@H](C)Cl)[C@@H](C2)C3=O 587419092 WUYSEDCZWUPZEO-IBNJYYFUSA-N 356.849 4.582 50 1 FJGF CC[C@H](C=CC(C)=O)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 2356688630 HFHDSLLYEQXICI-KTHBTQLJSA-N 368.514 4.944 50 1 FJGF C=C[C@]1(C)CC[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 13360536 NQEQFUOQGBHGNH-WMHILYHISA-N 350.487 4.757 50 1 FJGF biogenic Cc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)cc1 103176497 VWERXUGUJPKHKJ-SJORKVTESA-N 357.240 4.892 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@@H](C)Cl)CC2=O 587465720 GFPHFTFJSMCKRH-MPBGBICISA-N 362.828 4.972 50 1 FJGF O=C(Cl)c1cc(-c2cccs2)nn1-c1ccc(Br)cc1 958029490 HLKUWXNAGGKCGC-UHFFFAOYSA-N 367.655 4.742 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccs1 587613721 PYFIFKFMHLEUPK-LPHOPBHVSA-N 372.829 4.550 50 1 FJGF C=C[C@@]1(C)CC[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 13360542 NQEQFUOQGBHGNH-NVMYHKGLSA-N 350.487 4.757 50 1 FJGF CC1(C)CCC[C@]2(C)[C@@H]3C=C4C(=CC(=O)C(=O)[C@H]4Cl)O[C@@H]3CC[C@@]12C 169721591 OYLYUBNDJBABFP-FXHSNJNRSA-N 362.897 4.587 50 1 FJGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(Cl)c2[nH]1 586971793 XTCOBVQVCPYRGO-JTQLQIEISA-N 352.059 4.731 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(F)c2[nH]1 586974565 XZUABENULGMQRX-VIFPVBQESA-N 351.194 4.888 50 1 FJGF CCC(CC)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543196 JWCMCFFYEQOSJM-YLJYHZDGSA-N 360.837 4.768 50 1 FJGF CC(C)CC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688754 NUAXMHDPLTZRNB-ZBEGNZNMSA-N 362.714 4.993 50 1 FJGF Cc1cc2c(cc1C)C(Cl)=C(C(=O)N/N=C\c1ccc(F)cc1)CCC2 299829890 VSQNWTBWCMMODK-MSXFZWOLSA-N 370.855 4.879 50 1 FJGF COC(=O)[C@H](Cl)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586992588 DNUNJZKAFGGJJN-QGZVFWFLSA-N 365.816 4.516 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(F)cc(Br)c2[nH]1 587086470 ACVOVTIBWFUQKV-VIFPVBQESA-N 368.019 4.649 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1cccc3ccccc13)O2 587410044 POYCULXIJQEMAN-QFIPXVFZSA-N 374.465 4.805 50 1 FJGF CC(C)COc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008561 PKEANJVYXFGYOL-VIFPVBQESA-N 366.086 4.879 50 1 FJGF CCCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587374501 YNBIBYQWEQMWKB-HXUWFJFHSA-N 360.885 4.505 50 1 FJGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419588 FHUTURNIAPFYQW-HNAYVOBHSA-N 363.240 4.620 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CCCl)c1)CC2=O 587458361 ATAKTVWWCGDBGN-NRFANRHFSA-N 374.864 4.712 50 1 FJGF COc1ccccc1[C@@]1(CCCCCCl)NCCc2c(C)ccnc21 963078122 WUOGHZVPKRUCFU-OAQYLSRUSA-N 358.913 4.587 50 1 FJGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCCC2)OO1 43356573 VRSQYSDBDVDNGJ-QZTJIDSGSA-N 352.858 4.717 50 1 FJGF Cc1c([C@@H](C)Br)[nH]c2c1c(Br)cc1n[nH]cc12 587620781 GXVYSKKYFXRXGO-ZCFIWIBFSA-N 357.049 4.571 50 1 FJGF O=C(N/N=C\c1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1CC2 33574994 DMVZMSOAKWAAIL-UUYOSTAYSA-N 366.873 4.931 50 1 FJGF CCO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cnccc1-c1ccccc1 34802509 UOHSWXNXFRBKKH-JBCNATCCSA-N 359.429 4.910 50 1 FJGF O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C\C1CCCCC1 13154857 ZSUHDPZJKHLRFQ-NDENLUEZSA-N 357.281 4.835 50 3 FJGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccc2)n1 13647751 PICOXIVBYMHUQB-CAPFRKAQSA-N 371.469 4.541 50 1 FJGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 103167927 PZKLFRQNBZRSAX-JKSUJKDBSA-N 361.203 4.723 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1csc4ccccc14)[C@@H](C2)C3=O 587454028 ULNCPXRTSIUXAY-VBKZILBWSA-N 370.857 4.792 50 1 FJGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1ccc(NC(C)=O)cc1 963221356 AHXVWZVFSHDPIJ-OPAMFIHVSA-N 370.924 4.784 50 1 FJGF CCCCS[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857583824 OAZZGWIDFNLQFG-NQWKWHCYSA-N 356.528 4.728 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H](C=C3C(O)=CC(=O)[C@H]3Cl)[C@@](C)(O)CC[C@H]12 2356621236 SQHLFXFQWCHRBG-QQBOBMDFSA-N 352.902 4.538 50 1 FJGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)cc1 103176491 VWERXUGUJPKHKJ-DLBZAZTESA-N 357.240 4.892 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195244061 JEYREVQJWDNMSE-DEENEOIWSA-N 372.505 4.871 50 1 FJGF FC(F)(F)c1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008416 OPRMKELUHNMUMM-ZCFIWIBFSA-N 361.976 4.863 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(O)c(C)c1)CC2=O 587460520 NJLBSMMBDPNKRS-NRFANRHFSA-N 374.864 4.767 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1 587086714 HBQXARQCZUPRQI-VIFPVBQESA-N 355.129 4.646 50 1 FJGF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(C=O)=COc1cc(Cl)ccc12 963243313 RPPNQDXUURVZRU-OYHNWAKOSA-N 367.876 4.715 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Cl)nc2[nH]1 586974367 VOGPFFQFMXCQOG-VIFPVBQESA-N 350.647 4.658 50 1 FJGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCCl)C[C@H]12 61946588 QVNXSMZFEJEFHR-ZSNHLWMUSA-N 368.989 4.996 50 3 FJGF CC1=CC=C[C@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@@H]4S3)S[C@@H]12 40617170 VWFYYOQGNYFXME-NDBYEHHHSA-N 350.559 4.690 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@]2(C)CCl)N1 587683611 HRVAQHJINPAPOV-HPEXNQPKSA-N 360.698 4.747 50 1 FJGF CC[C@@H]1OC(=O)CCCC=CCC=CCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@@H]12 2356633415 XSVVTBMSEOBKQC-STEXWYFWSA-N 352.902 4.545 50 1 FJGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2c(Cl)cccc12 1857765306 GMCBPYFYWNHASP-UHFFFAOYSA-N 367.324 4.618 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCCCCC1)O2 587376653 XUENLPMLNUXKAX-SFHVURJKSA-N 366.299 4.647 50 1 FJGF O=C1C[C@](CCl)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1 587496395 CQHVBBBZTOSARF-NRFANRHFSA-N 366.848 4.541 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CCl)c1)CC2=O 587462500 ZZVSOYTVBPFVPY-FQEVSTJZSA-N 360.837 4.670 50 1 FJGF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C#N)CC[C@@]43C)[C@@H]1CCC(=O)N2CCC#N 95554875 GMXADLUSGIQPCN-ZVLHEHLASA-N 363.505 4.504 50 1 FJGF C=C[C@@]1(C)[C@@H](N=C)C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@H]2C[C@H]1Cl 2356391534 RJTCNPYHVCTUNM-OVQDYUAZSA-N 354.881 4.572 50 1 FJGF Cc1cc(C)c(NC(=O)N/N=C/c2ccc(Br)cc2)c(C)c1 149715147 XRXAXUGEDLCJKJ-VXLYETTFSA-N 360.255 4.530 50 1 FJGF C/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(/C)CCCC1=CC(=O)OC1=O 44405837 ULSWZKPKBXRFOP-XBCBCFQOSA-N 362.466 4.730 50 1 FJGF FC(F)(F)Oc1cc2nc(/C=C/CBr)[nH]c2cc1Cl 586972827 CHYUJTHCRWFLNF-OWOJBTEDSA-N 355.541 4.523 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(Cl)cc1)O2 587371488 FVIXYLHWCFGQKG-GOSISDBHSA-N 350.245 4.720 50 1 FJGF C[C@]1(CCl)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587541489 BYWHYUSPZDBVHE-DBVUQKKJSA-N 358.821 4.522 50 1 FJGF C=C(CC[C@@H](O)c1ccccc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176242 MKOUBZJMSGWTPI-PYLVQQMBSA-N 370.489 4.556 50 1 FJGF CC1(C)[C@@H](Cl)C([C@@H](Cl)CBr)=CC[C@H]1Br 2356860344 UEECDOMJRAGCEE-YIZRAAEISA-N 364.936 4.716 50 1 FJGF N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N1CCCCC1 200029972 BOHOYYSEEQLNNR-OBGWFSINSA-N 355.441 4.754 50 1 FJGF O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645202 ZAHBNYGYYTYBGR-UHFFFAOYSA-N 364.188 4.574 50 1 FJGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl 49872335 CJJGOHKZGMAAPQ-CEWYYZTQSA-N 371.116 4.555 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N=C=S)c1)CC2=O 587493103 QRMMZYKGOWXMRH-FQEVSTJZSA-N 353.443 4.960 50 1 FJGF O=C1C[C@@](CCl)(c2nc3ccccc3[nH]2)Oc2c1ccc1c2CCCC1 587497111 HCZBINNINFNYCU-OAQYLSRUSA-N 366.848 4.541 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(F)cc1Cl)O2 587382151 OTTMHFNJPQSZBV-GOSISDBHSA-N 368.235 4.778 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2ccc(Br)c(F)c2[nH]1 587086940 JQMDXZFSXJQCHB-SECBINFHSA-N 368.019 4.649 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OCC)cc1)CC2=O 587461822 UKVVOUPNYLONFI-OAQYLSRUSA-N 374.864 4.843 50 1 FJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CCCCC[C@@H]1Cl 962720811 WYNYXSYFWHIQAN-MDASCCDHSA-N 353.934 4.956 50 1 FJGF CCC(CC)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543193 JWCMCFFYEQOSJM-PXNSSMCTSA-N 360.837 4.768 50 1 FJGF CCCCC[C@@H]1O[C@H]1CC=CC=C[C@@H](CC=CCCCC(=O)O)OO 2356764486 LUBTVGBPYONJJZ-QYZOEREBSA-N 352.471 4.896 50 1 FJGF CC(=O)/C=C/c1cccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73156609 UQFIDJVNIUMYPV-DGSRBQDKSA-N 366.420 4.660 50 1 FJGF Cc1cccc([C@@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)c1 587371783 GFNDQQSNJDUOOC-YJYMSZOUSA-N 374.278 4.530 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C 2356391533 RJTCNPYHVCTUNM-NAUADQJPSA-N 354.881 4.572 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1cccc(C#N)c1 1857536173 QUAIHKMCMJQGKQ-LJQANCHMSA-N 357.800 4.583 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587417376 MBOYPCQPNYBNDZ-HTAPYJJXSA-N 370.876 4.874 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(CCl)o2)cc1 587906877 XHZUECHOBPLYQR-UHFFFAOYSA-N 359.212 4.537 50 1 FJGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCCC2)OO1 43356570 VRSQYSDBDVDNGJ-ROUUACIJSA-N 352.858 4.717 50 1 FJGF O=C1C[C@@](CCl)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587509120 XDEMFXUDNSDAAK-HXUWFJFHSA-N 362.803 4.943 50 1 FJGF COc1ccc(-c2nc(C(=O)NN=C(C)C)cc3c2[nH]c2ccccc23)cc1 73196626 WOXBIBPCPNZEOY-UHFFFAOYSA-N 372.428 4.517 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1Br)CC2=O 587458151 GVNWEJXKVJTWDS-SJLPKXTDSA-N 367.283 4.776 50 1 FJGF C#C/C=C\C[C@H](O)[C@H](Cl)C/C=C\C[C@H](Cl)[C@@H](Br)CC 195401816 GGOGTQISOAHDFM-WVZXMNBZSA-N 368.142 4.652 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(C(C)(C)C)cc1)O2 587374376 XKWPINUMJLHTDV-NRFANRHFSA-N 357.881 4.974 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)cc(C)cc1C)[C@@H](C2)C3=O 587416516 ARMQCNICKPAAGE-KKSFZXQISA-N 356.849 4.502 50 1 FJGF O=C1C[C@](CCl)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587498889 QDSWJCCEPRZRDP-QFIPXVFZSA-N 368.860 4.600 50 1 FJGF CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 103293407 VMVFRSFCWUVWNY-VLCRHTCISA-N 369.892 4.781 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@H]1Cl 587463370 YBFWHSUTQHSWSA-TZIWHRDSSA-N 356.849 4.759 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@@H](C)Cl)O2 587371134 DEPQJDNTKAVROL-ODXCJYRJSA-N 354.837 4.547 50 1 FJGF Cc1ccc([C@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100625 KJVXSNWVKWKGRE-YLJYHZDGSA-N 374.297 4.793 50 1 FJGF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587274290 IKOWEFHYNCBTPI-UHFFFAOYSA-N 369.275 4.529 50 1 FJGF CN(CCCl)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587499944 WRZDVOPEHJAREB-NRFANRHFSA-N 369.892 4.947 50 1 FJGF C[C@]1(CCl)CCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962716757 VWSQEQOUUOBCPB-NIKGAXFTSA-N 353.934 4.814 50 1 FJGF Cc1c([C@@H](C)Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985695 ZWRLBYFLQHJOOJ-SNVBAGLBSA-N 368.230 4.916 50 1 FJGF CCCCCCCCCSC(=S)NNC(=O)c1ccc(OC)cc1 43411509 BIBRFMOYMGWQHD-UHFFFAOYSA-N 368.568 4.698 50 1 FJGF CC1(C)[C@H]2CC[C@@H]3[C@H](CCCO)CSSCCC4=C(C2)[C@]31CC4=O 2356353810 SWIZQCAKOIUUQD-KGZPDETFSA-N 366.592 4.872 50 1 FJGF CC(=O)OCC1=C(C=O)[C@H]([C@H](C=O)CCC=C(C)CCC=C(C)C)CC1 2356624364 WASCKIDXJIYGSY-FPOVZHCZSA-N 360.494 4.743 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(OC)cc1)CC2=O 587460015 KNZOBFPCYVDQIY-OAQYLSRUSA-N 374.864 4.843 50 1 FJGF CCC[C@]1(CCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645816 YIGWVKPBFJHHCH-UNMCSNQZSA-N 354.925 4.668 50 1 FJGF CCCCC[C@H](C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2)OO 2356459602 SGUKUZOVHSFKPH-ICBNADEASA-N 368.470 4.517 50 1 FJGF ClCCN(CCCl)CCOc1cccc2cc3ccccc3nc12 44032030 BAPJBNWKORCPKF-UHFFFAOYSA-N 363.288 4.546 50 1 FJGF C=C([C@@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C)[C@@H](CC)OO 166456657 KCVANSMZNKFAEW-FGSXEWAUSA-N 374.477 4.870 50 1 FJGF CC1=C[C@@H]2[C@H](CC1)[C@](C)(NC=O)CC[C@H]2[C@]1(C)CC[C@H](Cl)C(C)(C)O1 39054288 CFIKBMDDAXJTEV-OVDOOKCHSA-N 367.961 4.829 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2ccc(F)c(Br)c2[nH]1 587087694 SSUBKUGWBXJWLV-SECBINFHSA-N 368.019 4.649 50 1 FJGF Nc1ncccc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587253464 JGYMRQVUOVYQCO-UHFFFAOYSA-N 350.316 4.788 50 1 FJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(C)c(C)c2C)C(C)(C)C)c1 653880662 JTMVJCYHEGXYBB-UHFFFAOYSA-N 366.505 4.814 50 1 FJGF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@H](CCl)c2c1ccc1[nH]ccc21 96913712 AAYVYSQBZXEGNI-GFCCVEGCSA-N 367.811 4.771 50 1 FJGF CCCCOP(=O)(OCCCC)[C@H]1C(C#N)=C(N)Oc2ccccc21 103249353 FDASNWGXGPIHPI-QGZVFWFLSA-N 364.382 4.640 50 1 FJGF COc1cc2c3c(c1)O[C@](C1CC1)([C@H](Cl)c1ccccc1F)[C@@H](C2)C3=O 587425654 GDKLUMZVPCSDKK-RVHYNSKXSA-N 372.823 4.711 50 1 FJGF CC[C@@H]1OC(=O)CCCC=CCC=CCC=C[C@H]2[C@@H]1C[C@@H](Cl)[C@H]2O 2356633414 XSVVTBMSEOBKQC-JNIAIEOXSA-N 352.902 4.545 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(CCl)n2)s1 587920281 BVQINMUBNKYEQY-UHFFFAOYSA-N 365.241 4.599 50 1 FJGF Cc1cccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1C 103200386 JTHVQDOREUEMBU-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CCl)c1)CC2=O 587462512 ZZVSOYTVBPFVPY-HXUWFJFHSA-N 360.837 4.670 50 1 FJGF COC(=O)[C@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626772 WKQFKKDALJFQMJ-SNVBAGLBSA-N 373.680 4.967 50 1 FJGF C=C(c1ccc(C2CCCCC2)cc1)[C@@H]1COC2(CCC(=O)CC2)OO1 43524127 AZGZNWDOKLVPBF-NRFANRHFSA-N 356.462 4.934 50 1 FJGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587187375 GEVXTRUEDDIWPG-POHAHGRESA-N 360.161 4.668 50 1 FJGF N#Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497271 IKYPIYZWLMYFEN-OAQYLSRUSA-N 351.833 4.537 50 1 FJGF O=C(c1ccccc1)c1ccc2nc(CCCCBr)[nH]c2c1 586972401 PQCZGASSGKECPV-UHFFFAOYSA-N 357.251 4.512 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCCN=[N+]=[N-])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43443450 LJVANEURAPQDGD-LBYBGDIDSA-N 365.474 4.718 50 1 FJGF COc1ccccc1[C@@H](Cc1ccccc1)N(CCCl)CCCl 169317934 NSRFDOKMIHUGSY-GOSISDBHSA-N 352.305 4.759 50 1 FJGF Fc1ccc(F)c([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c1 963110410 PMDYAEBQHFSCQS-MRXNPFEDSA-N 362.634 4.900 50 1 FJGF CS(=O)(=O)/C(C#N)=C/c1cc(-c2ccc(Cl)c(Cl)c2)ccc1F 1857603002 OSMHYLJEAJUINY-NTUHNPAUSA-N 370.232 4.709 50 1 FJGF C[C@H]1C[C@@H]2C[C@@H](C)C[C@](CNC(=O)c3cccc4nc(CCl)cn34)(C1)C2 2356456195 UVZUVBBPMRATBX-LRWSGUAYSA-N 373.928 4.655 50 1 FJGF C/C=C/[C@H](C/C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OO)OO 102183016 UITLMMCUHHCJIE-TXFSUSHRSA-N 356.459 4.685 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cccc3cc[nH]c13)CC2=O 587459187 GRZDSZHWYKZOID-OAQYLSRUSA-N 369.848 4.926 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2nccc(CCl)n2)cc1 587906565 LFNVLUNADKUZAD-UHFFFAOYSA-N 369.251 4.944 50 1 FJGF O=C(N/N=C/c1ccc(F)cc1)Nc1nc2c(ccc3ccccc32)s1 40408013 ZFPMHOCSBYABNX-SRZZPIQSSA-N 364.405 4.744 50 1 FJGF N#C/C(=C/c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587187020 CGYQXSCZLNDUTA-WDZFZDKYSA-N 364.277 4.676 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@H](C)Cl)O2 587371292 FGBZDEIFTZETRN-ZSEKCTLFSA-N 355.865 4.554 50 1 FJGF CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl 34332013 QEIZHWRVSXPSIZ-UHFFFAOYSA-N 365.260 4.579 50 1 FJGF FC(F)(F)c1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1 587008146 KUNBTQUVEYMYLC-LURJTMIESA-N 361.976 4.863 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Br)CC3 587101812 MYSSQMZJVJSPET-AWEZNQCLSA-N 350.215 4.828 50 1 FJGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587187378 GEVXTRUEDDIWPG-UXBLZVDNSA-N 360.161 4.668 50 1 FJGF C/C(Nc1ccc(F)cc1)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 40828099 PJCUZTWZZCHJMH-LFIBNONCSA-N 363.314 4.693 50 1 FJGF CC1=C[C@H]2[C@H](CC1)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 238769634 CFIKBMDDAXJTEV-ZOCXKQACSA-N 367.961 4.829 50 1 FJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1 103214161 SBQGINRWYSHEKN-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(-c2noc(CCl)n2)c1 587905083 KIVNHCCXFGBCAB-UHFFFAOYSA-N 359.212 4.537 50 1 FJGF O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2c(s1)CCCC2 1911581570 KFAROEDAIDJVQW-DJKKODMXSA-N 353.274 4.698 50 1 FJGF N#C/C(C(=O)c1ccccc1F)=C1\Nc2cc(C(F)(F)F)ccc2S1 104001353 ADSAWNIUJSVHMT-WJDWOHSUSA-N 364.323 4.980 50 3 FJGF C[C@@H](C[C@@]12C=C[C@]3(OO1)C(C)(C)CCC[C@@]3(C)O2)OC(=O)c1ccccc1 43426948 WYUKKHOCOCLVBS-ZJQURUERSA-N 372.461 4.574 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccccc2)N1 587683823 ICYBJYMBPLXTOH-DIFFPNOSSA-N 368.677 4.605 50 1 FJGF C#CC=CC[C@H](O)[C@H](Cl)CC=CC[C@@H](Cl)[C@H](Br)CC 2356524481 GGOGTQISOAHDFM-TUVASFSCSA-N 368.142 4.652 50 1 FJGF C=C[C@]1(C)CC[C@@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 13360539 NQEQFUOQGBHGNH-XMLVGPMBSA-N 350.487 4.757 50 1 FJGF biogenic N#Cc1ccc2c(C(=O)/C=C/c3ccc(/C=C\C(=O)Cl)cc3)coc2c1 587279635 YPCGYOOWCZIDMN-FPXDHTHPSA-N 361.784 4.979 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCl)c2)N1 587681748 ALAUWOQKBJNEJP-BMLIUANNSA-N 368.677 4.951 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=O)c(C(F)(F)F)c1 587914081 WOGZMDNCJPBEQY-UHFFFAOYSA-N 351.711 4.735 50 1 FJGF O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(CCl)c1 1292068558 LJJVZZRSWHEAHS-UHFFFAOYSA-N 364.257 4.850 50 1 FJGF CCc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417699 OPZUPBZTMIHIDM-ZXNZOMRRSA-N 356.849 4.528 50 1 FJGF C/C(=N/Nc1cccc(C(=O)N/N=C(\C)c2ccccc2)c1)c1ccccc1 13147001 NLZPQJKGVNXTCV-KGOJTIBSSA-N 370.456 4.677 50 1 FJGF CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195241229 VVUDNAVGLAULSR-DNWZOHJTSA-N 366.498 4.736 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2Cl)N1 587708566 YYTGGIXARUMEBC-CKUKBARFSA-N 360.698 4.889 50 1 FJGF CC[C@@H]1OC(=O)CCCC=CCC=CCC=C[C@@H]2[C@H](O)[C@H](Cl)C[C@@H]12 2356633413 XSVVTBMSEOBKQC-JAYZULETSA-N 352.902 4.545 50 1 FJGF CC(=O)/C=C/c1cccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73156606 UQFIDJVNIUMYPV-CZQLGGELSA-N 366.420 4.660 50 1 FJGF FC(F)(F)c1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 587009234 YMNMNRPZRCVMKK-LURJTMIESA-N 361.976 4.863 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CCl)c1 587545337 OVXZGCBYVCBDJI-GHTZIAJQSA-N 366.800 4.834 50 1 FJGF C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238055 RHTFNIQPTZTZKJ-XQNSMLJCSA-N 365.864 4.902 50 1 FJGF FC(F)(F)c1cc(Br)cc2nc([C@H](Cl)CCl)[nH]c12 587009235 YMNMNRPZRCVMKK-ZCFIWIBFSA-N 361.976 4.863 50 1 FJGF C=C[C@@]1(C)[C@H](N=C)[C@@]2(O)c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@H]1Cl 2356578737 CZZUVXKBVZAPLB-FESPYFOJSA-N 356.897 4.536 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586973749 NUJHHIKQPSABRO-MRVPVSSYSA-N 368.637 4.797 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]3C(C#N)=C4C=C(O)C(=O)C=C4O[C@]3(C)CC[C@H]12 14683883 QUGUMGCXHOUAOZ-UGESXGAOSA-N 353.462 4.747 50 1 FJGF biogenic Cl[C@H]1[C@H](Cl)[C@@H](Cl)C(Cl)(Cl)C(Cl)(Cl)[C@@H]1Cl 141350775 BYCVNFIIFYYLRN-ORZLYADOSA-N 359.722 4.777 50 1 FJGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@@H]2Cl 587502159 UEBHUPKJLXGZAU-RBBKRZOGSA-N 352.861 4.980 50 1 FJGF COc1ccc(C#Cc2cc(Cl)ccc2OC)c(CBr)c1 587898298 ILDTWTXFGFPWRA-UHFFFAOYSA-N 365.654 4.652 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169340757 JEYREVQJWDNMSE-UOLHPZNYSA-N 372.505 4.871 50 1 FJGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(F)c(Cl)c1 40460539 ZWCPQLKGMWGQTK-SFHVURJKSA-N 350.780 4.850 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)cs1 587613933 QFWXGPMKKQEFMS-APWZRJJASA-N 372.829 4.895 50 1 FJGF O=C1C(=O)N(CCCCCCCCCCBr)c2ccccc21 98083896 LMIFSVWXMWRTJR-UHFFFAOYSA-N 366.299 4.732 50 1 FJGF CCOc1ccc([C@@H](Nc2ccccc2)P2(=S)OCCCO2)cc1 3651848 WQYKWMJCRBDVBA-SFHVURJKSA-N 363.419 4.942 50 1 FJGF Oc1nc(=S)[nH]c2c(-c3ccc(S(F)(F)(F)(F)F)cc3)cnn12 96922746 SDZVGQYBGTZZIB-UHFFFAOYSA-N 370.328 4.817 50 1 FJGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@H](Cl)C[C@H]1Cl 195120688 CJJGOHKZGMAAPQ-JRKPZEMJSA-N 371.116 4.555 50 1 FJGF COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501458 BQXLQQGMAUTRGR-NRFANRHFSA-N 374.839 4.813 50 1 FJGF CC[C@H](C=CC(C)=O)CCC[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356313266 VIKYMDHMJZRUGH-HLNWXESRSA-N 354.487 4.698 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100864012 JEYREVQJWDNMSE-IUAAJVRMSA-N 372.505 4.871 50 1 FJGF Cc1cc(Br)cc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587087000 KUSYETJNESMSLA-SNVBAGLBSA-N 364.056 4.818 50 1 FJGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCCl)C[C@@H]12 28655077 QVNXSMZFEJEFHR-GZNZXPAWSA-N 368.989 4.996 50 3 FJGF N#CC1=C(N)NC(SCc2ccc(Cl)cc2)=C(C#N)C12CCCCC2 4102503 XVGJAWUKNIHRPR-UHFFFAOYSA-N 370.909 4.556 50 3 FJGF aggregator CC1=CC=C[C@@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@@H]4S3)S[C@H]12 27193293 VWFYYOQGNYFXME-MROQNXINSA-N 350.559 4.690 50 1 FJGF CC[C@@H](Br)[C@@H](Br)C1=Cc2ccccc2C(=O)C1 44406464 MWNSYRNFWVETQB-OCCSQVGLSA-N 358.073 4.593 50 1 FJGF CC(C)(C)C(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)Nc1ccccc1 95554706 VZKRMBINRKIUGR-UVQLTDSSSA-N 365.433 4.652 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(F)cc1)CC2=O 587465526 FIWHGBYSPANUFB-FQEVSTJZSA-N 362.828 4.973 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCCC2)N1 587685914 SBVAAVKRGGROKS-MGPLVRAMSA-N 360.698 4.747 50 1 FJGF C#CC=CC[C@H](O)[C@H](Cl)CC=CC[C@H](Cl)[C@@H](Br)CC 2356524482 GGOGTQISOAHDFM-XQLPTFJDSA-N 368.142 4.652 50 1 FJGF O=C(CCCCCc1ccccc1)NNc1c(Cl)cncc1Cl 84654751 KMDYSYPBWCIQPS-UHFFFAOYSA-N 352.265 4.635 50 1 FJGF CC(C)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544969 PULOQINRIFGUFB-PXNSSMCTSA-N 360.837 4.768 50 1 FJGF CC(=O)O[C@@H]1O[C@H]2CC(C)=CCCC(C=O)=C1[C@H]2[C@@H](C)CCC=C(C)C 2356424101 JOLKTAMDRUAINZ-RAWXMELESA-N 360.494 4.899 50 1 FJGF CC(C)[C@]1(CBr)c2ccsc2CCN1Cc1ccco1 962718955 XBRLLLAQHIEJFH-MRXNPFEDSA-N 354.313 4.646 50 1 FJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCl)c1ccccc1C 963030993 GQDYREDPSNRWLA-QFIPXVFZSA-N 366.892 4.570 50 1 FJGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2C=C1C(O)=CC(=O)[C@@H]1Cl 2356621235 SQHLFXFQWCHRBG-GNVJSZRZSA-N 352.902 4.538 50 1 FJGF CC/C=C\C=C\[C@@H](/C=C/[C@@H](CCCCCCCC(=O)OC)OO)OO 102182916 GIYLADJCFNKDBC-ZZLCRMQWSA-N 356.459 4.685 50 1 FJGF CC(C)CN(Cc1ccc(Br)cc1)C(=O)/C=C/[C@@H](C)Cl 103272756 AHCVUOQRVMQJRN-QGQQYVBWSA-N 358.707 4.617 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(OC)c1 587898650 ODWGTNVUXGBIGK-UHFFFAOYSA-N 365.654 4.652 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(O)CC2)OO1 43617613 JQLGGBVIFUGHKS-KOENEWCDSA-N 366.457 4.735 50 1 FJGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@H]1c1cc2ccccc2nc1Cl 103176477 ZWQCORRBMBPTPJ-IAGOWNOFSA-N 357.240 4.892 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H](C=C3C(O)=CC(=O)[C@@H]3Cl)[C@@](C)(O)CC[C@H]12 2356621234 SQHLFXFQWCHRBG-DSJDWBEOSA-N 352.902 4.538 50 1 FJGF CC(C)(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587502010 ZRRIZUCRFNUMMW-GOSISDBHSA-N 351.284 4.710 50 1 FJGF CO[C@@H]1O[C@]2(c3ccc(C(F)(F)F)cc3)CC[C@H]3CCCC[C@@]31OO2 38153528 YVIOVDGWBXSESO-BASLNEPJSA-N 358.356 4.532 50 1 FJGF CC(=O)O[C@H]1C/C(C)=C/C/C=C(/C=O)[C@H](C=O)[C@H]1[C@@H](C)CCC=C(C)C 238770803 BRAYWWGCSCTEOS-ZWLOZJGOSA-N 360.494 4.597 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@]2(C)CCl)N1 587683705 HRVAQHJINPAPOV-UHNFBRDESA-N 360.698 4.747 50 1 FJGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3C[C@H](O)C(C=O)=C[C@]3(C)[C@H](O)C[C@@H]12 15105531 DYYUCJSMROWEPH-LYAWOHKCSA-N 374.565 4.512 50 1 FJGF biogenic N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl 58581437 ONKZDCQXCSLGRS-LJQANCHMSA-N 372.815 4.564 50 1 FJGF O=C1c2ccccc2-c2cc(CCCBr)nc3cccc1c23 587102452 TYPIJSSQLLZKHP-UHFFFAOYSA-N 352.231 4.774 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(C)cc(C)c(C)c1C)O2 587371959 IPQCHMANFASZAJ-NRFANRHFSA-N 357.881 4.910 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C\C/C=C/C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169370287 XSVVTBMSEOBKQC-NYVBJOGLSA-N 352.902 4.545 50 1 FJGF Cc1ccc(-c2cc(C(=O)NN=Cc3cccc4ccccc34)[nH]n2)cc1C 263590423 CMMKSTYURHJVNM-UHFFFAOYSA-N 368.440 4.611 50 3 FJGF C=CCO/C(O)=C1\C(C)=NC(SC)=C(C#N)[C@@H]1c1ccc(OCC)cc1 102337014 PZHJDDXCVZCLLY-ONZPZFSWSA-N 370.474 4.714 50 1 FJGF O=C1C[C@@](CCl)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587508344 UYDZOHWPSVLDGT-HXUWFJFHSA-N 362.803 4.943 50 1 FJGF COc1ccc2c(C(=O)/C(C#N)=C/c3c[nH]c4cc(F)ccc34)c[nH]c2c1 299819881 BZFGLZSQVIDGLN-WUXMJOGZSA-N 359.360 4.587 50 1 FJGF CC1([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587325171 CMSPNSSIRSTSOI-FXAWDEMLSA-N 360.812 4.668 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(C)cc1)CC2=O 587489921 FSUXAMPNMZDCAQ-OAQYLSRUSA-N 367.470 4.728 50 1 FJGF C[C@@]1(c2cc(F)cc(CCl)c2O)c2ccc(F)cc2C[C@@H]2CCCN21 963113211 SJXXJBBRXYBHJL-JXFKEZNVSA-N 363.835 4.693 50 1 FJGF Cc1ccc2c3c(c4c(nc13)C[C@H]4CBr)-c1ccccc1C2=O 586993072 HTTVKQMUYCOMNU-NSHDSACASA-N 364.242 4.789 50 1 FJGF CC(=O)OCC1=C(C=O)[C@H]([C@H](C=O)CC/C=C(\C)CCC=C(C)C)CC1 34235883 WASCKIDXJIYGSY-BTNQWYKVSA-N 360.494 4.743 50 1 FJGF Cc1[nH]c2c(c1C(C)C)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 40818609 KSHMWGVTWRNJAE-XQNSMLJCSA-N 358.873 4.962 50 1 FJGF Cc1ccc2c(c1)O[C@@]1(C(Br)Br)CC[C@]2(C)[C@H]1C 140217699 GTPKNDAYUXHRNR-KMUNFCNLSA-N 374.116 4.930 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 587188750 WEHGPQMXVYZJCC-NSIKDUERSA-N 352.319 4.826 50 1 FJGF Cc1ccc([C@@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100623 KJVXSNWVKWKGRE-XLIONFOSSA-N 374.297 4.793 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587188393 RDVWVOVZONGBST-WUXMJOGZSA-N 356.198 4.837 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCC3)O2 587371592 GZZJFEFKIUVWRI-NRFANRHFSA-N 355.865 4.556 50 1 FJGF C=CCc1ccc(OCCCCCCI)c(OC)c1 2178319886 GRQUXRKJCKXQET-UHFFFAOYSA-N 374.262 4.798 50 1 FJGF CCCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 168349397 JNCAMYPVMLYALF-UHFFFAOYSA-N 366.505 4.842 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(COc1ccc(C(C)C)cc1)O2 587371217 DYZDEXLUJRAOBD-OAQYLSRUSA-N 373.880 4.722 50 1 FJGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](C)Cl)CC2=O 587465722 GFPHFTFJSMCKRH-YUNKPMOVSA-N 362.828 4.972 50 1 FJGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 1857544428 DTMOVDKRYMJNHN-SFHVURJKSA-N 350.780 4.850 50 1 FJGF O[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCOCC1 586913822 PWLPITFXAQNNPV-LBPRGKRZSA-N 358.332 4.680 50 1 FJGF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCBr)c12 587646201 WSJCRCGJBFVNLN-UHFFFAOYSA-N 363.186 4.820 50 1 FJGF CN[C@H](c1cccnc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587222430 KUYFQEDVFATEHA-CYBMUJFWSA-N 364.343 4.924 50 1 FJGF N#C/C(=C\c1ccc(-c2ccc(F)cc2C(=O)O)o1)c1nc2ccccc2[nH]1 40776194 KKIWMIZAWGYINJ-FMIVXFBMSA-N 373.343 4.724 50 1 FJGF O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)(F)F)n(CCCCCl)c2c1 103197627 HJXMXUQXBHZVJV-UHFFFAOYSA-N 371.693 4.618 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](C)Cl)O2 587372160 JWGFBMKVWNVRNN-VOJFVSQTSA-N 350.245 4.719 50 1 FJGF O=C(C(Cl)Cl)n1cc(-c2ocnc2Br)c2ccccc21 103292278 MIGWZFYBKGQQBC-UHFFFAOYSA-N 374.021 4.503 50 1 FJGF CCc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417697 OPZUPBZTMIHIDM-LKNMKHRSSA-N 356.849 4.528 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(CBr)ccc1F 587916800 VCTKKPKDZTYJDV-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O 102621737 GPKKLPRWCJJAQL-MRXNPFEDSA-N 364.857 4.733 50 3 FJGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 58519434 OTPGJESZYIJRBI-YDZHTSKRSA-N 374.831 4.647 50 1 FJGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Br 103280896 QVWCBMOTDJRONN-FAFAAHBOSA-N 358.707 4.664 50 1 FJGF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCl 587625842 NEAOQEULYUUPFB-UHFFFAOYSA-N 373.680 4.773 50 1 FJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CSC#N)(c2ccc(F)cc2)N1 962946357 LUQFTWYRPBOWRF-HRAATJIYSA-N 365.477 4.689 50 1 FJGF C=C[C@@]1(C)C(N=C)=C2[C@H](C[C@H]1Cl)C(C)(C)[C@@]21C(=O)Nc2ccccc21 238770394 AHJXWWIWKRQSNL-OKKVMHGVSA-N 354.881 4.691 50 1 FJGF CCOC(=O)[C@@H](Cl)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587101708 LFGFNACWIGUGQP-SFHVURJKSA-N 365.816 4.598 50 1 FJGF C=N[C@@H]1[C@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)[C@H]1CO1 238781615 QZDVELJTPJLQCK-BDCACUGSSA-N 356.897 4.644 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccccc2)N1 587685776 RQJADNSFJXXBCB-GTNSWQLSSA-N 368.677 4.605 50 1 FJGF CC(=N\NC(=O)c1oc2ccccc2c1C)/C(Cl)=N/Nc1ccccc1 49771739 DENOOTZRAFLIKX-KDIKSSQUSA-N 368.824 4.511 50 1 FJGF CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cccc3cnccc23)cc1 95579105 HOFPVFVFOSSUCE-GSZSHORJSA-N 371.484 4.786 50 1 FJGF CCC[C@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2cnco2)n1 195358089 OYTLZULTHWIRLP-DZGCQCFKSA-N 352.507 4.607 50 1 FJGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 253678108 RVWXMIWQPXTIQD-NRDMVMEKSA-N 356.487 4.556 50 1 FJGF O=C=Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988765 QDMOFQXTVORLNX-UHFFFAOYSA-N 364.360 4.786 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CCBr)CC2=O 587455390 BIQBJIZYICEPSE-KZULUSFZSA-N 367.283 4.634 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@@H](C)Cl)O2 587371132 DEPQJDNTKAVROL-MPBGBICISA-N 354.837 4.547 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cccc(C(F)(F)F)c1)O2 587381731 KLVNAQCEERJLJB-QGZVFWFLSA-N 369.770 4.696 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCl)cc2)N1 587683412 GWSWOGYEQXEWAA-DYZYQPBXSA-N 368.677 4.951 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(C)cc1C)[C@@H](C2)C3=O 587416647 BVGNSXUZZOFUDX-UWJYYQICSA-N 356.849 4.502 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCCC2)N1 587685918 SBVAAVKRGGROKS-QLJPJBMISA-N 360.698 4.747 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)CCCl)c(F)c1 587916436 LKPIRYRISZOMFT-UHFFFAOYSA-N 351.204 4.699 50 1 FJGF CC1(C)[C@H](Br)CC=C([C@H](Cl)CBr)[C@H]1Cl 2356860343 UEECDOMJRAGCEE-IWSPIJDZSA-N 364.936 4.716 50 1 FJGF O=C1C[C@](CCl)(c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587509119 XDEMFXUDNSDAAK-FQEVSTJZSA-N 362.803 4.943 50 1 FJGF CC(=O)O[C@@H]1CC(C)=CCC=C(C=O)[C@H](C=O)[C@H]1[C@@H](C)CCC=C(C)C 2356389651 BRAYWWGCSCTEOS-GUGJDKNPSA-N 360.494 4.597 50 1 FJGF N#C/C(=C/c1ccc(Cl)c(Cl)c1)CNC(=S)Nc1ccccc1 40566927 YZENWPLQCPPRBT-JYRVWZFOSA-N 362.285 4.887 50 1 FJGF CCC(CC)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685877 BOPXCRLJZKVQMI-MGPLVRAMSA-N 362.714 4.993 50 1 FJGF CC(=O)O[C@@H]1C/C(C)=C\C/C=C(/C=O)[C@H](C=O)[C@H]1[C@@H](C)CCC=C(C)C 85641449 BRAYWWGCSCTEOS-SIWFUPKRSA-N 360.494 4.597 50 1 FJGF N#C/C(=C(/N)Sc1ccc(N)cc1)c1cccc(Cc2ccccc2)c1 38145391 DDSARZDJTFCEAH-QURGRASLSA-N 357.482 4.803 50 1 FJGF N#C/C(=C(/O)CSc1ccccc1C(=O)O)c1nc2ccccc2s1 101831812 CLMNLZSEODQMAR-OWBHPGMISA-N 368.439 4.579 50 1 FJGF CCCOc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586971929 AQEMBUKGDYZOAZ-ONEGZZNKSA-N 374.076 4.522 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587087124 MBHPTZMLKUZUMD-JTQLQIEISA-N 364.140 4.637 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CCBr)CC2=O 587455391 BIQBJIZYICEPSE-SGTLLEGYSA-N 367.283 4.634 50 1 FJGF O=C1C[C@](CCl)(c2c[nH]c3ccncc23)Oc2c1ccc1c2CCCC1 587498373 NMZUKPURPRTGKZ-NRFANRHFSA-N 366.848 4.541 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2C(CCCl)(CCCl)N1 587683920 IJRQHBULMCQIHJ-SECBINFHSA-N 369.105 4.576 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(CCl)cc(OC)c1OC 587899290 AOJSEQQRRYZIMC-UHFFFAOYSA-N 351.229 4.504 50 1 FJGF CO[P@](=O)(c1ccccc1)c1ccc2nc(-c3ccc(F)cc3)oc2c1 1911580610 SLWMYOKBIAIKJN-AREMUKBSSA-N 367.316 4.509 50 1 FJGF COC(=O)c1cc(-c2cc3ccccc3s2)sc1NC(=O)CCl 2382227329 MMIACLWPMRZLEL-UHFFFAOYSA-N 365.863 4.594 50 1 FJGF Cc1c(Br)ccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587087272 NMYPLMPCHVEXAC-SNVBAGLBSA-N 364.056 4.818 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCCC1)CC2=O 587456260 LQYXBSWCMVRSIU-GOSISDBHSA-N 367.283 4.634 50 1 FJGF NCc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 137672581 DJNNHFAADYPTCD-UHFFFAOYSA-N 369.505 4.630 50 1 FJGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](C)Cl)CC2=O 587465721 GFPHFTFJSMCKRH-ODXCJYRJSA-N 362.828 4.972 50 1 FJGF Cc1cc(C)c(Cl)c(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)c1 103197579 SHJGYGDSHYNHFN-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587187571 ISWPTFCMDLUYBN-WQLSENKSSA-N 356.198 4.837 50 1 FJGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@H]2Cl 587502149 UEBHUPKJLXGZAU-IFMALSPDSA-N 352.861 4.980 50 1 FJGF Cc1cc(Cl)cc2c(NC(=O)CBr)c(C(C)(C)C)[nH]c12 587624173 ZCXCHEQBYULRQK-UHFFFAOYSA-N 357.679 4.761 50 1 FJGF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)CC[C@@H](Cl)[C@H]1C2=O 2356624385 WFMXNCWOAAUPCM-KDEZKHTHSA-N 352.858 4.684 50 1 FJGF CN1CCCC[C@H]1COC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40655727 SVLZLTILAVSOHW-AMRJIULGSA-N 357.457 4.534 50 1 FJGF CCCC[C@@H](Cl)C(=O)/C(Br)=C(/Cl)Br 166210654 NMDPPOUMKSWJMM-JVMJCINISA-N 352.881 4.551 50 1 FJGF O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@@H]2CCl)c(C(F)(F)F)c1 1772621963 BYOBIGMVQKPTSM-CQSZACIVSA-N 370.758 4.784 50 1 FJGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCl)c1cccc(Cl)c1 963097225 FQWRBRKAXZAHPE-HKUYNNGSSA-N 350.264 4.982 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(=O)CC2)OO1 43393951 KMTGCLWODBXVPJ-OAQYLSRUSA-N 350.414 4.553 50 1 FJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1CC(=O)OCc1ccccc1 195155589 CWOLRSIGXRAZKQ-QZTJIDSGSA-N 364.558 4.689 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCl)c2)N1 587686374 UPEFXNMMWSAGBP-BMLIUANNSA-N 368.677 4.951 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(Cl)cc1)O2 587371490 FVIXYLHWCFGQKG-SFHVURJKSA-N 350.245 4.720 50 1 FJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCl)c2c1 587648856 IJFUCNPSPSGISQ-UHFFFAOYSA-N 354.258 4.631 50 1 FJGF COc1cccc2c3c(cnc12)CCN[C@]3(CCCl)c1ccccc1C 963030981 GQDYREDPSNRWLA-JOCHJYFZSA-N 366.892 4.570 50 1 FJGF CCOc1ccc([C@@]2(CCl)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962958703 UUAIHSDCKAZYBZ-KSFYIVLOSA-N 368.908 4.973 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)c(Cl)c1 587902031 GAVWJBDZXULOKD-UHFFFAOYSA-N 368.647 4.579 50 1 FJGF N#CC(=C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1 73274474 PXRGLUQLGPUMNE-UHFFFAOYSA-N 362.448 4.862 50 1 FJGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(Cl)c2[nH]1 586971794 XTCOBVQVCPYRGO-SNVBAGLBSA-N 352.059 4.731 50 1 FJGF Cc1c([C@H](C)Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985694 ZWRLBYFLQHJOOJ-JTQLQIEISA-N 368.230 4.916 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H](C3)[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587333111 VBFPIMULVQGEEB-AWSDCZNWSA-N 372.823 4.666 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(CCl)cc2)c1 587908791 BUXNWSSOJUFJCJ-UHFFFAOYSA-N 357.240 4.673 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 101581211 XSVVTBMSEOBKQC-UFMICMNASA-N 352.902 4.545 50 1 FJGF C[C@]1(CCl)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587541490 BYWHYUSPZDBVHE-NSISKUIASA-N 358.821 4.522 50 1 FJGF CC(C)(C)N(NC(=O)c1cccc(Cl)c1)C(=O)c1ccccc1Cl 34332004 YVAIPWQNMHDDIV-UHFFFAOYSA-N 365.260 4.579 50 1 FJGF O=C(NNc1cccc2nc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2 40429554 ROUFTXDQIIVIBB-UHFFFAOYSA-N 355.869 4.548 50 1 FJGF C[C@]1(c2cc(F)cc(CCl)c2O)c2ccc(F)cc2C[C@@H]2CCCN21 963113212 SJXXJBBRXYBHJL-OXJNMPFZSA-N 363.835 4.693 50 1 FJGF C[C@]1(CCl)CCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962716755 VWSQEQOUUOBCPB-KYNGSXCRSA-N 353.934 4.814 50 1 FJGF C=C(CCC=C(C)CC[C@@H](O)C(C)(C)O)[C@@H](Cl)CN=C(Cl)Cl 2356486693 AMNDLZKBOCYTMP-UONOGXRCSA-N 370.748 4.622 50 1 FJGF COC(=O)C[C@@H]1OO[C@@](C)(C/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C 136563965 UCBLCZYWNMERCT-ZCOPPUPHSA-N 358.478 4.800 50 1 FJGF O=c1c2ccc(OCCCCl)cc2[nH]c2cc(Cl)c(Cl)cc12 1857564550 DHNCUNLCPHWDCS-UHFFFAOYSA-N 356.636 4.996 50 1 FJGF O=c1c2ccc(OCCCCl)cc2[nH]c2cc(Cl)cc(Cl)c12 1857578760 SRHHOPBXKDUNFN-UHFFFAOYSA-N 356.636 4.996 50 1 FJGF CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO 201092121 AZHSPOPOMNJPFD-BVHTXILBSA-N 352.471 4.656 50 1 FJGF in-vitro C/C(N)=C(\C#N)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922662 RWETXYIMGANREQ-QINSGFPZSA-N 352.438 4.570 50 1 FJGF N#C/C(=C\c1ccc(-c2ccc3c(c2)C(=O)OC3)o1)c1nc2ccccc2[nH]1 95552031 HQNBEKANKBTGRQ-OQLLNIDSSA-N 367.364 4.557 50 1 FJGF O=[S@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)CC1CC1 586957918 AUOAKWJGGJUBKZ-NRFANRHFSA-N 360.373 4.879 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CCBr)CC2=O 587455389 BIQBJIZYICEPSE-KPZWWZAWSA-N 367.283 4.634 50 1 FJGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(F)c(Cl)c1 40460538 ZWCPQLKGMWGQTK-GOSISDBHSA-N 350.780 4.850 50 1 FJGF CC1=C(C#N)[C@@H](c2ccc(F)cc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 49116493 MPFVEJCVRPLSQN-QGZVFWFLSA-N 362.832 4.579 50 1 FJGF C[C@@]1(c2cccc(/C=C/C=O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504930 OUJKSGPUSHKNRJ-GPVJQRHHSA-N 364.416 4.797 50 1 FJGF C#CCOC(=O)C/C(C=O)=C\C[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C 1857643786 NUNLEKGRODVYKH-RYHBWOKFSA-N 356.506 4.867 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587087126 MBHPTZMLKUZUMD-SNVBAGLBSA-N 364.140 4.637 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1cccc3ccccc13)O2 587410043 POYCULXIJQEMAN-JOCHJYFZSA-N 374.465 4.805 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CCl)cc1 587545879 PWMPHTWYTIJFRL-GHTZIAJQSA-N 366.800 4.834 50 1 FJGF COc1ccc([C@@]2(CCCCCCl)NCCc3ccc(O)cc32)cc1 963354257 VOVUZMIFJMOSJH-OAQYLSRUSA-N 359.897 4.589 50 1 FJGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCl)c1cccc(Cl)c1 963097229 FQWRBRKAXZAHPE-PKOBYXMFSA-N 350.264 4.982 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1ccccc1F)CC2=O 587466046 JGSLIEVGMOTGGV-FQEVSTJZSA-N 362.828 4.669 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)cs1 587613937 QFWXGPMKKQEFMS-QFBILLFUSA-N 372.829 4.895 50 1 FJGF CC(=O)OC[C@H](CCC=C(C)C)[C@H]1CCC(C)=CCC=C(C=O)[C@H]1C=O 2356358250 YQUKFUMDEVAPHO-BHDDXSALSA-N 360.494 4.599 50 1 FJGF Cc1ccc2c(c1)O[C@]1(C(Br)Br)CC[C@]2(C)[C@H]1C 140217548 GTPKNDAYUXHRNR-VCTAVGKDSA-N 374.116 4.930 50 1 FJGF CC1(C)[C@H](Br)C[C@@H](Cl)/C(=C\CBr)[C@H]1Cl 238754722 WBDRSOKGNBUNSZ-DHNCZSJJSA-N 364.936 4.716 50 1 FJGF CO[P@](=O)(c1ccccc1)c1ccc2oc(-c3ccc(F)cc3)nc2c1 1911571471 DNZPRQQJTBYAPJ-AREMUKBSSA-N 367.316 4.509 50 1 FJGF C=C(CC[C@@H](O)c1cccc2ccccc12)[C@H]1COC2(CCCC2)OO1 43356602 JXXGGXSRIARBKK-NHCUHLMSSA-N 354.446 4.827 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCCl)N1 587686882 XWKWFKARIRFHTH-XPTSAGLGSA-N 369.105 4.576 50 1 FJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(C=O)=COc1cc(Cl)ccc12 963243311 RPPNQDXUURVZRU-IVZQSRNASA-N 367.876 4.715 50 1 FJGF CCCCC[C@H](C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O)OO 2356347903 QXCRWNZYEVOQMB-FVVUREQNSA-N 370.486 4.741 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66105215 OHOPOTPGDPXDPG-YBVSZUDCSA-N 362.441 4.749 50 1 FJGF O=C(CSc1nnc(-c2ccc(N=C=S)cc2)o1)c1ccc(F)cc1 73168449 HJZDKHBIXOVPRC-UHFFFAOYSA-N 371.418 4.585 50 1 FJGF CCc1ccc(CC)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587374823 ZNGHDWMSMHQACH-OAQYLSRUSA-N 357.881 4.802 50 1 FJGF O=C1C[C@]2(CCCCC[C@H]2Br)Oc2c1ccc1c2CCCC1 587499857 VOQCUAUJXROSFS-MJGOQNOKSA-N 363.295 4.997 50 1 FJGF C/C=C/[C@H](C[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182983 KHLRSDSKUCXNKZ-PQBYRBMKSA-N 356.459 4.685 50 1 FJGF C/C(=N\NC(=O)c1cccc(/N=N/[C@H](C)c2ccco2)c1)c1ccco1 169688590 QSRPCFCMKJTJMU-MAHBEPKVSA-N 350.378 4.872 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2Cl)N1 587707725 WSBYYKJKQKBGHS-VFVAKGGASA-N 360.698 4.889 50 1 FJGF CC[C@H](C=CC(C)=O)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356688632 HFHDSLLYEQXICI-PPVISPMTSA-N 368.514 4.944 50 1 FJGF CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@H](Cl)CO)CC[C@@]21C 2356730820 JFQFGRCANCUAGD-WLEBWSEFSA-N 354.918 4.620 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(OC)c(CCl)cc1OC 587899569 AFDAUDHCIFELOX-UHFFFAOYSA-N 351.229 4.504 50 1 FJGF C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 44052585 RVWXMIWQPXTIQD-WJMWBRGCSA-N 356.487 4.556 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(F)c(F)cc2[nH]1 586974540 XRBODUQALAJVCO-VIFPVBQESA-N 351.194 4.888 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@H](C)Cl)O2 587371289 FGBZDEIFTZETRN-YEJXKQKISA-N 355.865 4.554 50 1 FJGF O=C1C[C@@](CCl)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587502225 CXMSLSIIJJLLJJ-HXUWFJFHSA-N 362.803 4.943 50 1 FJGF Cc1cccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2S)c1 103189183 NXZHYXHOYXKVHQ-IRXDYDNUSA-N 354.862 4.527 50 1 FJGF CCCOc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587008483 LPEIIPJAZFUZDW-ZETCQYMHSA-N 362.065 4.570 50 1 FJGF C[C@@H](Br)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985374 VIFICULETXAQFO-SECBINFHSA-N 354.203 4.608 50 1 FJGF CCc1cccc2c([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587372355 KRGNWQXRPYFVKA-OAQYLSRUSA-N 368.864 4.720 50 1 FJGF CO[C@H]1O[C@]2(c3ccc(C(F)(F)F)cc3)CC[C@H]3CCCC[C@@]13OO2 101385471 YVIOVDGWBXSESO-ISWURRPUSA-N 358.356 4.532 50 1 FJGF FC(F)(F)c1cc(Cl)c2[nH]c(CCCCBr)nc2c1 586972382 OUCJHMZBHVHROJ-UHFFFAOYSA-N 355.585 4.953 50 1 FJGF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C)Cl)CC2=O 587461125 XFAHFEYRNDPMKF-QKKBWIMNSA-N 358.865 4.919 50 1 FJGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCC2)[C@@H]1c1ccc(F)cc1 587327866 RZJIKGRRGDFJJK-UYAOXDASSA-N 360.812 4.668 50 1 FJGF CC[C@@H](C)[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963123025 OUCILARYVOBUIT-OTYXRUKQSA-N 351.115 4.775 50 1 FJGF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)CO[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195244051 JEYREVQJWDNMSE-FNECRPNWSA-N 372.505 4.871 50 1 FJGF COc1ccccc1[C@]1(CCCCCCl)NCCc2c(C)ccnc21 963078120 WUOGHZVPKRUCFU-NRFANRHFSA-N 358.913 4.587 50 1 FJGF C=N[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@@]1(C)[C@@H]1CO1 2356456083 QZDVELJTPJLQCK-FHRUOEJVSA-N 356.897 4.644 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]cc(c34)[C@]2(O)[C@@H]1N=C 2356578736 CZZUVXKBVZAPLB-BQLRMLCTSA-N 356.897 4.536 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCC(F)(F)F)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197490 JWBYTRZSRINDCD-IFBKASPQSA-N 364.404 4.581 50 1 FJGF CCCCC[C@H](C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O)OO 2356459604 SGUKUZOVHSFKPH-UJWQCDCRSA-N 368.470 4.517 50 1 FJGF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)[C@H]1C=C(C=O)C[C@H](OC(C)=O)O1 15162120 XHEVPZPCTQRZSR-VRILMYIFSA-N 360.494 4.589 50 1 FJGF biogenic CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO 71756303 SGUKUZOVHSFKPH-WTKFZEAQSA-N 368.470 4.517 50 1 FJGF CN1CCc2c(Br)cccc2[C@@]1(CCl)c1ccc(F)cc1 963270759 RALGRLDEMZGQDS-QGZVFWFLSA-N 368.677 4.559 50 1 FJGF ClC[C@H](Cl)c1nc2cc(Br)c(Br)cc2[nH]1 587007395 CZFZYCDKFFHEJT-LURJTMIESA-N 372.875 4.607 50 1 FJGF O=C1C[C@](CBr)(c2ccccc2)Oc2c1ccc1c2CCCC1 587500571 SNIOHPQGUOIFQC-FQEVSTJZSA-N 371.274 4.821 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(F)ccc1F)CC2=O 587466669 NHXBRPZCXCWPCA-LJQANCHMSA-N 366.791 4.722 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2Cl)N1 587708568 YYTGGIXARUMEBC-HICWGWBUSA-N 360.698 4.889 50 1 FJGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(NC(C)=O)cc1 963221351 AHXVWZVFSHDPIJ-AOMKIAJQSA-N 370.924 4.784 50 1 FJGF C[C@H](C[C@@]12CC[C@]3(OO1)C(C)(C)CCC[C@@]3(C)O2)OC(=O)c1ccccc1 43427080 MQZUEILZXBIANH-DHWLSRIRSA-N 374.477 4.798 50 1 FJGF Oc1ccc2c(c1)[C@@](CCCCCl)(c1cccc(Cl)c1)NCC2 963341100 KFHJNQQIQDHHIF-LJQANCHMSA-N 350.289 4.844 50 1 FJGF CCc1[nH]c2c(c1CC)/C(=N/NC(=O)Nc1ccc(Cl)cc1)CCC2 40575883 JBDBSTWCDKBMGT-HAVVHWLPSA-N 358.873 4.655 50 1 FJGF COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496739 FBBLVZBXWHXXEL-OAQYLSRUSA-N 356.849 4.674 50 1 FJGF CC(C)Oc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972110 GPLWISSJMXTXAQ-ARJAWSKDSA-N 374.076 4.521 50 1 FJGF O=C(Nc1ccccc1Cl)c1ccc(N(CCCl)CCCl)cc1 49756516 IEYXXRSUGCKRPU-UHFFFAOYSA-N 371.695 4.876 50 1 FJGF C[C@H](C(=O)N/N=C/c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 103200187 DZKRCUUTTMWKSW-CAUYNWHBSA-N 364.395 4.886 50 1 FJGF Cc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375843 VJECRSBVOMZNBK-YJYMSZOUSA-N 374.278 4.530 50 1 FJGF C=N[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@@]1(C)[C@H]1CO1 2356456086 QZDVELJTPJLQCK-YFVFERPVSA-N 356.897 4.644 50 1 FJGF CN(C)CCNCc1ccc(CBr)c2cc3ccccc3cc12 27201803 IOENVJONXUEJNL-UHFFFAOYSA-N 371.322 4.539 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(O)cc1)CC2=O 587460302 LQZZJIKHLDQKGB-OAQYLSRUSA-N 374.864 4.930 50 1 FJGF Cc1ccnc2c1CCN[C@@]2(CCCCl)c1ccccc1C(F)(F)F 963066328 GQVOFOJMGOIRSM-SFHVURJKSA-N 368.830 4.817 50 1 FJGF CC=CC=CCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356472348 UGLSVZMADGXVFK-ICSRJNTNSA-N 352.471 4.642 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587189105 ZWRWOJFFOMXJKF-WDZFZDKYSA-N 374.188 4.976 50 1 FJGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H](Br)c1ccccc1 587279935 VHLQGPDGMMLIHS-OAHLLOKOSA-N 360.163 4.660 50 1 FJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCCCC[C@H]1Cl 962720816 WYNYXSYFWHIQAN-ZMYBRWDISA-N 353.934 4.956 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]2(C)CCl)N1 587683609 HRVAQHJINPAPOV-GTTSAUCSSA-N 360.698 4.747 50 1 FJGF COc1cc2c3c(c1)O[C@](c1cc(C)ccc1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587419095 WUYSEDCZWUPZEO-JRQSSSKMSA-N 356.849 4.582 50 1 FJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CCl)cs1 587897881 YXSSFIMEARLFLD-UHFFFAOYSA-N 372.704 4.504 50 1 FJGF O=P(Nc1ccc(Br)cc1)(c1ccccc1)c1ccccc1 68592553 GCSUDOQBYLHDGE-UHFFFAOYSA-N 372.202 4.790 50 1 FJGF biogenic O=C(N/N=C/[C@H]1CCCS1)N1c2ccccc2Sc2ccccc21 73222910 NJDPGWFLAUZKLK-KZKLBEMASA-N 355.488 4.880 50 1 FJGF C=C(C)[C@@H]1Cc2cc(OOc3ccc4cc3OC/C(=C\C)C4)ccc2O1 238775529 QUKHSOVXCSBPGT-QWPNKFHKSA-N 350.414 4.820 50 1 FJGF O=C1C[C@@]2(CCCCC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587499859 VOQCUAUJXROSFS-PKOBYXMFSA-N 363.295 4.997 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]2(C)CCl)N1 587683707 HRVAQHJINPAPOV-VFVAKGGASA-N 360.698 4.747 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H](C)Cl)CC2=O 587465714 GFPHFTFJSMCKRH-FKIZINRSSA-N 362.828 4.972 50 1 FJGF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(/C=C/C=O)c1F)CC2=O 587466140 KAXGXFMBLLKIHT-PABBZOGXSA-N 368.404 4.577 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Cl 587542766 BBQZFFMNUHETJY-UWVAXJGDSA-N 358.821 4.664 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)cc(C)c(C)c1C)[C@@H](C2)C3=O 587419027 WDVHWOUAFHBDQM-HTAPYJJXSA-N 370.876 4.811 50 1 FJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCCl)cc1)CC2=O 587458423 BICNPOZWLGPZCV-HXUWFJFHSA-N 373.880 4.726 50 1 FJGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@H]1COC2(CCCC2)OO1 43356601 JXXGGXSRIARBKK-LEWJYISDSA-N 354.446 4.827 50 1 FJGF CC(=O)OC[C@H](CCC=C(C)C)[C@@H]1CCC(C)=CCC=C(C=O)[C@@H]1C=O 2356358256 YQUKFUMDEVAPHO-FKBYEOEOSA-N 360.494 4.599 50 1 FJGF CC1(C)[C@H](Br)C(=CCBr)[C@@H](Cl)C[C@H]1Cl 2356426152 XOVLIHYBBINBFV-DJLDLDEBSA-N 364.936 4.716 50 1 FJGF CC/C=C\C=C\[C@H](/C=C/[C@@H](CCCCCCCC(=O)OC)OO)OO 102182920 GIYLADJCFNKDBC-IIYCRSHZSA-N 356.459 4.685 50 1 FJGF O=C1C[C@@](CCl)(c2c[nH]c3ccncc23)Oc2c1ccc1c2CCCC1 587498374 NMZUKPURPRTGKZ-OAQYLSRUSA-N 366.848 4.541 50 1 FJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCCCC[C@@H]1Cl 962720810 WYNYXSYFWHIQAN-CCKFTAQKSA-N 353.934 4.956 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587328604 JRDVANFJHXNINE-NSHGMRRFSA-N 360.812 4.810 50 1 FJGF O=C1C[C@@](CCl)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1 587496396 CQHVBBBZTOSARF-OAQYLSRUSA-N 366.848 4.541 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccccc2)N1 587683790 ICYBJYMBPLXTOH-APPDUMDISA-N 368.677 4.605 50 1 FJGF O=C(N/N=C/C1=Cc2ccccc2O[C@@H]1c1ccccc1)c1ccc(F)cc1 1772621489 ARZTZDZQEYIFGJ-BHSKHCGUSA-N 372.399 4.759 50 1 FJGF C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3ccccc3)CC2)OO1 43382190 JMISZWFNVWHJFS-ORFBVSJDSA-N 351.446 4.798 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O 587416725 DBARGNICLGNHPT-UWJYYQICSA-N 373.880 4.576 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCCC2)N1 587681719 ADMCVJCJYNHZJF-QLJPJBMISA-N 360.698 4.747 50 1 FJGF N#C/C(=C1/Nc2cc(C(F)(F)F)ccc2S1)c1ccnc(Cl)n1 13647678 DDJSHENQAINBKH-XYOKQWHBSA-N 354.744 4.559 50 1 FJGF N#C/C(=C/c1ccccc1OCCN1CCCCC1)c1noc2ccccc12 34778379 IWUZCKYZKUGJOZ-MNDPQUGUSA-N 373.456 4.757 50 1 FJGF Cc1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 587087715 TVSVZBICTTZGBJ-SNVBAGLBSA-N 364.056 4.818 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccs2)N1 587848668 PCXBSZMVRJJATQ-RFAUZJTJSA-N 374.706 4.666 50 1 FJGF CC[C@H](C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329484 XYSYANBRQJFYBX-GCKAQTDUSA-N 362.828 4.914 50 1 FJGF O=C(N/N=C\c1ccc(Oc2ccc3ccccc3c2)cc1)c1ccncc1 66074448 KDAZYFJQIWSADS-XYGWBWBKSA-N 367.408 4.791 50 1 FJGF COC(=O)CCCCCCC(=O)N/N=C/CC1=C(C)CCCC1(C)C 95808924 JUSREQIWHAPVII-RCCKNPSSSA-N 350.503 4.519 50 1 FJGF Cc1ccc2c3c(c4c(nc13)C[C@@H]4CBr)-c1ccccc1C2=O 586993070 HTTVKQMUYCOMNU-LLVKDONJSA-N 364.242 4.789 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CC)(CCCBr)CC2=O 587456561 QZSXZJCDOJCJGR-QGZVFWFLSA-N 355.272 4.634 50 1 FJGF CC(=O)OC[C@H](CCC=C(C)C)[C@@H]1CCC(C)=CCC=C(C=O)[C@H]1C=O 2356358254 YQUKFUMDEVAPHO-FDFHNCONSA-N 360.494 4.599 50 1 FJGF N#Cc1ccc(Nc2nccc([C@@H](Br)c3ccccc3)n2)cc1 169349014 CBEQILQBYNQYEU-KRWDZBQOSA-N 365.234 4.576 50 1 FJGF N#C/C(=C1\N=NC(N)=C(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 210453620 OHXFGLRDDWZHFA-JQIJEIRASA-N 369.211 4.590 50 1 FJGF FC(F)(F)c1cc(Cl)c(-n2cc(CCCCl)nn2)c(Cl)c1 28825631 CVZWKJSPJYNXCC-UHFFFAOYSA-N 358.578 4.764 50 1 FJGF Fc1cccc(Nc2ncnc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 96272517 GXIBVDBBEJEVPC-QGZVFWFLSA-N 367.815 4.689 50 1 FJGF C[C@]1(CC(=O)NCc2ccc(Cl)cc2Cl)CC2(CCCCC2)OO1 49695571 LGUYBEAVWZPOML-KRWDZBQOSA-N 372.292 4.813 50 1 FJGF C=CCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326917 NLLQGBSIYFPWIL-QUCCMNQESA-N 360.812 4.834 50 1 FJGF Cc1cc2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2cc1[N+](=O)[O-] 586973723 NFBBBOUEJAUKON-LLVKDONJSA-N 374.238 4.826 50 1 FJGF CCCOc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008872 RFWQNIIFRIYAOY-QMMMGPOBSA-N 352.059 4.633 50 1 FJGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2cc(Cl)ccc12 1857654984 OEKBYWLJMSERDL-UHFFFAOYSA-N 367.324 4.618 50 1 FJGF CC(C)CN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Br 103280895 QVWCBMOTDJRONN-QGQQYVBWSA-N 358.707 4.664 50 1 FJGF CCOC(=O)c1ccccc1SSc1n[nH]c(-c2ccc(C)cc2)n1 103213188 PBTSDVPJBWUYMB-UHFFFAOYSA-N 371.487 4.756 50 1 FJGF CC(C)=CCC/C(C)=C\C=N/NC(=O)Nc1nnc(-c2ccc(C)cc2)o1 103216362 SNVATBDECSBSNQ-LLRIMJKVSA-N 367.453 4.845 50 1 FJGF CC1(C)C[C@H](Cl)CN(CCCCCN2C[C@@H](Cl)CC(C)(C)C2)C1 299858532 DRKCEWHIFWNTET-IRXDYDNUSA-N 363.417 4.835 50 1 FJGF COC(=O)C[C@@H]1OO[C@](C)(CC(C)=CC=CCc2ccccc2)C[C@@H]1C 2356500435 UCBLCZYWNMERCT-RCZSKKKRSA-N 358.478 4.800 50 1 FJGF CC[C@H](/C=C/C=C/C=C/[C@H](CCCCCCCC(=O)OC)OO)OO 102182948 UCGDFIITNRZSQM-XHCBAHKHSA-N 356.459 4.685 50 1 FJGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)CC(C)(C)C1CC1 963032383 ILNSKXOVBLUHNV-NRFANRHFSA-N 358.913 4.650 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c(F)c1 587916890 XMXNDJRSIQGBSV-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCl)c2)N1 587681751 ALAUWOQKBJNEJP-QGHHPUGFSA-N 368.677 4.951 50 1 FJGF C/C=C/C=C/CCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 42875909 UGLSVZMADGXVFK-BQNQRPFHSA-N 352.471 4.642 50 1 FJGF C#CCOC(=O)C/C(C=O)=C\C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C 1857643784 NUNLEKGRODVYKH-QSMLAEDLSA-N 356.506 4.867 50 1 FJGF BrCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C1CC1 587620930 JHNSIGLLAXSQIE-UHFFFAOYSA-N 369.060 4.579 50 1 FJGF CC=CC=CCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356472349 UGLSVZMADGXVFK-QUCCMNQESA-N 352.471 4.642 50 1 FJGF CC1(C)[C@@H](Cl)CC=C([C@H](Cl)CBr)[C@@H]1Br 85951856 KLDHSFADDPCRTJ-VGMNWLOBSA-N 364.936 4.716 50 1 FJGF C/C(=N\NC(=O)c1cc(-c2ccccc2)ccc1O)c1cc2ccccc2[nH]1 95563140 IRNCLMIVXMRWLM-MFKUBSTISA-N 369.424 4.695 50 1 FJGF CC(C)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544973 PULOQINRIFGUFB-YLJYHZDGSA-N 360.837 4.768 50 1 FJGF CC/C=C\C=C\[C@H](/C=C/[C@H](CCCCCCCC(=O)OC)OO)OO 102182927 GIYLADJCFNKDBC-RJGVKUCXSA-N 356.459 4.685 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCl)c2)N1 587686375 UPEFXNMMWSAGBP-BTDLBPIBSA-N 368.677 4.951 50 1 FJGF CC(=O)O[C@H]1O[C@@H]2C/C(C)=C/CC/C(C=O)=C\1[C@@H]2[C@H](C)CCC=C(C)C 238775381 JOLKTAMDRUAINZ-PPBXUEQFSA-N 360.494 4.899 50 1 FJGF CC[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372283 IDPVEPYJXWHMRJ-IEBWSBKVSA-N 374.278 4.611 50 1 FJGF COc1cc2c3c(c1)O[C@](c1cc(C)ccc1C)([C@H](C)Cl)[C@@H](C2)C3=O 587419089 WUYSEDCZWUPZEO-GTXQTCRKSA-N 356.849 4.582 50 1 FJGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2cccc(Cl)c2)cs1 587920269 GSNFUHPDEPNLBZ-MLPAPPSSSA-N 354.818 4.939 50 1 FJGF C=C[C@]1(C)C(N=C)=C2[C@H](C[C@@H]1Cl)C(C)(C)[C@]21C(=O)Nc2ccccc21 2356672866 AHJXWWIWKRQSNL-UWUZAJPRSA-N 354.881 4.691 50 1 FJGF CCCCc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419682 XRXXCFDYDFYJBZ-XMSQKQJNSA-N 370.876 4.920 50 1 FJGF C=CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C#N)CC[C@]4(C)[C@H]3CC[C@@]21C 95553031 RBRQILNPIWMDAD-ZVLHEHLASA-N 350.506 4.776 50 1 FJGF CCCCCC[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587375174 RNLRTMWRSZLACW-QGZVFWFLSA-N 354.288 4.647 50 1 FJGF c1ccc2[nH]c(CCSSCCc3nc4ccccc4[nH]3)nc2c1 28712995 KAMYWDMWOFMSDX-UHFFFAOYSA-N 354.504 4.606 50 1 FJGF O=C1C[C@@](CBr)(c2ccccc2)Oc2c1ccc1c2CCCC1 587500574 SNIOHPQGUOIFQC-HXUWFJFHSA-N 371.274 4.821 50 1 FJGF COC(=O)C[C@@H]1OO[C@](C)(CC(C)=CC=CCc2ccccc2)C[C@H]1C 2356500433 UCBLCZYWNMERCT-KAGYGMCKSA-N 358.478 4.800 50 1 FJGF C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 101406934 RVWXMIWQPXTIQD-BVOGOJNSSA-N 356.487 4.556 50 1 FJGF BrC[C@@]1(CC2CC2)NCCc2cc(-c3ccccc3)ccc21 962667627 MIOVKMJCWAOGEU-HXUWFJFHSA-N 356.307 4.890 50 1 FJGF COc1ccc2c(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)c[nH]c2c1 299827943 QLBMBVRKCLHCCM-WUXMJOGZSA-N 359.360 4.587 50 1 FJGF CC(=O)O[C@@H]1CC(C)=CCC=C(C=O)[C@H](C=O)[C@@H]1[C@H](C)CCC=C(C)C 2356389654 BRAYWWGCSCTEOS-YCZSINBZSA-N 360.494 4.597 50 1 FJGF Cl[C@H](Cn1ncc2c(NC3CCCCC3)ncnc21)c1ccccc1 34505050 KJPOARVYBQHNEV-QGZVFWFLSA-N 355.873 4.551 50 1 FJGF CC1(C)[C@@H](Br)C[C@H](Cl)/C(=C/CBr)[C@@H]1Cl 86050640 WBDRSOKGNBUNSZ-BNJOCTFVSA-N 364.936 4.716 50 1 FJGF CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)([C@H](Cl)CO)CC[C@@]12C 238780358 JFQFGRCANCUAGD-WVGHKPTNSA-N 354.918 4.620 50 1 FJGF Nc1ccc(Oc2ccc3nc(CCCCBr)[nH]c3c2)cc1 586972352 NJBBWPPHPVHEON-UHFFFAOYSA-N 360.255 4.655 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587187574 IVRJKQCGLSTMEV-XYOKQWHBSA-N 356.198 4.837 50 1 FJGF C[C@]1(CCl)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587541491 BYWHYUSPZDBVHE-PWIZWCRZSA-N 358.821 4.522 50 1 FJGF C#CC=CC[C@H](O)[C@H](Cl)CC=CC[C@@H](Cl)[C@@H](Br)CC 2356524483 GGOGTQISOAHDFM-YJNKXOJESA-N 368.142 4.652 50 1 FJGF C#C/C=C\C[C@H](O)[C@H](Cl)C/C=C\C[C@H](Cl)[C@H](Br)CC 195401812 GGOGTQISOAHDFM-GNEXRTQCSA-N 368.142 4.652 50 1 FJGF O=c1ccc2ccc(OCCCCCCCCBr)cc2o1 1857771355 ULELWDOBJIEPTI-UHFFFAOYSA-N 353.256 4.907 50 1 FJGF C[C@@]1(CC(=O)NCc2cccc(C(F)(F)F)c2)CC2(CCCCC2)OO1 49694442 NFWQSVLWPXHOHS-QGZVFWFLSA-N 371.399 4.525 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cccc(Br)c2[nH]1 587086840 HTHMUNBVXIPKHL-SECBINFHSA-N 350.029 4.510 50 1 FJGF CCC(CC)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543194 JWCMCFFYEQOSJM-XLIONFOSSA-N 360.837 4.768 50 1 FJGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3ccccc3Cl)c2c1 587649195 LGZYHKZEJMUKSN-UHFFFAOYSA-N 354.258 4.631 50 1 FJGF CC(=O)c1csc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531001 HVBDFJADLMVDMM-FQEVSTJZSA-N 374.889 4.929 50 1 FJGF CCCCC(CCCC)N(NC(=O)c1ccc(CC)cc1)C(=O)CCl 43021493 NTSPUPKCBCICNB-UHFFFAOYSA-N 366.933 4.710 50 1 FJGF CC(C)Oc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008720 QXIYYKYJIRICDQ-MRVPVSSYSA-N 352.059 4.631 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)O2 587373618 RTUCXKXALPUOCP-VFNWGFHPSA-N 357.881 4.990 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCl)cc2)N1 587684586 LFLMXEZGEYCEMV-DYZYQPBXSA-N 368.677 4.951 50 1 FJGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](Cl)CC[C@]21C 1772632924 SSJWIHWUTIUKFO-XVDOCLBUSA-N 368.989 4.994 50 1 FJGF CCCCN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103200372 UAEUUVDILAMTKD-UHFFFAOYSA-N 352.478 4.785 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587187573 IVRJKQCGLSTMEV-WQLSENKSSA-N 356.198 4.837 50 1 FJGF N#C/C(=C/c1ccc(O)c(O)c1)c1nc(-c2cc(F)ccc2F)cs1 587921732 VRPILFGJSVFSCK-WZUFQYTHSA-N 356.353 4.564 50 1 FJGF FC(F)(F)[C@]1(C(Cl)Cl)c2ccsc2CCN1Cc1ccco1 962714906 RQSNTRGAYAQLAM-CYBMUJFWSA-N 370.223 4.961 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccccc1F)CC2=O 587467875 UCGUGTBDENQMTR-FQEVSTJZSA-N 371.433 4.559 50 1 FJGF O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1Cc2ccccc2C[C@H]1CCl 1772580763 BOSVZWMQMBAQFG-AWEZNQCLSA-N 370.758 4.784 50 1 FJGF COc1ccc([C@@H]2SCc3ccccc3S2)cc1OC(=O)CCl 2356330516 LCQLKJFIDNEHKT-QGZVFWFLSA-N 366.891 4.877 50 1 FJGF COc1ccc(OC)c([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)c1 103523792 AZSNGOHZIXQXQR-IBGZPJMESA-N 352.434 4.672 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2C(CCCl)(CCCl)N1 587683922 IJRQHBULMCQIHJ-VIFPVBQESA-N 369.105 4.576 50 1 FJGF CCOc1ccc([C@]2(CCl)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962958708 UUAIHSDCKAZYBZ-ZHRRBRCNSA-N 368.908 4.973 50 1 FJGF Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1 1857632523 CDOUAHOHBZILPN-YDZHTSKRSA-N 363.848 4.783 50 1 FJGF O=C1C[C@@]2(CCC[C@H]2CCBr)Oc2c1ccc1c2CCCC1 587498989 KYBLPCGULCVADV-IFXJQAMLSA-N 363.295 4.855 50 1 FJGF COc1ccccc1[C@@]1(CCCCCl)NCCc2ccc(F)c(C)c21 962144442 KYHDKIWSSRLFOI-OAQYLSRUSA-N 361.888 4.941 50 1 FJGF CC(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586972944 CYEZPJQEUILHRY-NSHDSACASA-N 357.251 4.812 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@@H](C)Cl)O2 587371281 FGBZDEIFTZETRN-ASSNKEHSSA-N 355.865 4.554 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCCl)N1 587686111 SPIUOINRYRVVCB-OTYXRUKQSA-N 369.105 4.576 50 1 FJGF C[C@@]12CC3CC(C(=O)NNc4c(Cl)cncc4Cl)(C1)C[C@@](C)(C3)C2 101511500 NOCHVNGRKPLDQR-QGDGABGRSA-N 368.308 4.828 50 1 FJGF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CCl 587377775 ZCVNBPKXGFUZCF-HXUWFJFHSA-N 359.853 4.595 50 1 FJGF C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3ccccc3)CC2)OO1 43382191 JMISZWFNVWHJFS-ATKRNPRHSA-N 351.446 4.798 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccccc1F)CC2=O 587466332 LAGKXRANGIEHRW-HXUWFJFHSA-N 362.828 4.973 50 1 FJGF CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12 5573359 UDGUHFJPKKDFDV-UHFFFAOYSA-N 371.912 4.759 50 1 FJGF Cc1ccc(O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 43426916 ONMOKNITOLPIIM-KUNJXQGOSA-N 374.477 4.582 50 1 FJGF CCOCC1=C(c2ccc3c(c2)OCO3)Nc2cc(OC)ccc2[C@H]1Cl 102009302 ZLHWMBMZRFDQIN-LJQANCHMSA-N 373.836 4.577 50 1 FJGF CCC(CC)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685878 BOPXCRLJZKVQMI-QFYYESIMSA-N 362.714 4.993 50 1 FJGF C[C@H](Br)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587009303 ZGMYXYZJUMNAQH-BYPYZUCNSA-N 371.982 4.800 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(F)c(CBr)c1 587914954 GIWJXJLJKCYDAL-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF CC(C)[C@@]1(CBr)c2ccsc2CCN1Cc1ccco1 962718953 XBRLLLAQHIEJFH-INIZCTEOSA-N 354.313 4.646 50 1 FJGF CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C[C@](C)([C@@H](Cl)CO)CC[C@@]21C 2356730817 JFQFGRCANCUAGD-OZDUQECXSA-N 354.918 4.620 50 1 FJGF C=C(CC[C@H](O)c1ccc(Cl)cc1)[C@H]1COC2(CCCCC2)OO1 43356572 VRSQYSDBDVDNGJ-ZWKOTPCHSA-N 352.858 4.717 50 1 FJGF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 225206271 VMVFRSFCWUVWNY-QIJUGHKUSA-N 369.892 4.781 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2Cl)N1 587708565 YYTGGIXARUMEBC-AKWBHNSASA-N 360.698 4.889 50 1 FJGF CC(C)CC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688753 NUAXMHDPLTZRNB-MEDUHNTESA-N 362.714 4.993 50 1 FJGF O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(-n2cccc2)cc1 40394225 SUMSQSNJQSJXKQ-UHFFFAOYSA-N 365.436 4.660 50 1 FJGF COC(C/C(C=O)=C\C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)OC 238776848 JYPIJSGQSCUHBF-ZOPWVILXSA-N 364.526 4.522 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc3ccccc3c1)O2 587408885 JIYWBKHIGVYJJM-QFIPXVFZSA-N 374.465 4.805 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccs2)N1 587849623 UTLLNXDRHUAEKW-PSLIRLAXSA-N 374.706 4.666 50 1 FJGF CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(CF)c2)C(C)(C)C)cc1 103184653 DYCPENZHWPGWMJ-UHFFFAOYSA-N 370.468 4.613 50 1 FJGF COc1cncc(N)c1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 587254696 VFZDUUDHZNKCKK-UHFFFAOYSA-N 366.315 4.873 50 1 FJGF CC(C)CC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688241 JXWGWUFYLIFDMO-BDJLRTHQSA-N 362.714 4.993 50 1 FJGF CC(=O)O[C@@H]1O[C@H]2CC(C)=CCCC(C=O)=C1[C@@H]2[C@@H](C)CCC=C(C)C 2356424102 JOLKTAMDRUAINZ-VRBBWPEWSA-N 360.494 4.899 50 1 FJGF C=C[C@@]1(C)[C@@H](N=C)C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@@H]2C[C@H]1Cl 2356391463 RJTCNPYHVCTUNM-GXNLFKTRSA-N 354.881 4.572 50 1 FJGF CC=CCCCCCCCCC[C@@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356386500 KSKGQTBFDMXQNE-QUCCMNQESA-N 354.487 4.866 50 1 FJGF CCOc1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(=N)[C@@H]2C#N)cc1 169693235 JURKBYHAYQLFQN-BEFAXECRSA-N 372.453 4.647 50 1 FJGF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1ccnc(CCl)n1 587941906 YQFPXMDPHDGGOJ-UHFFFAOYSA-N 357.841 4.556 50 1 FJGF CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccc(C)cc2)o1 95583269 CXBLXPPUIRHCIR-RKCQPDCJSA-N 367.453 4.845 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=C=S)cc1)CC2=O 587491803 NHPDCMIOJYNLQP-HXUWFJFHSA-N 353.443 4.960 50 1 FJGF O=C1C[C@@](CCl)(Cc2ccccc2F)Oc2c1ccc1c2CCCC1 587508061 YDTVGUNVSLUYMC-OAQYLSRUSA-N 358.840 4.890 50 1 FJGF CC1(C)[C@@H](Cl)C[C@H](Cl)/C(=C/CBr)[C@H]1Br 138879905 XOVLIHYBBINBFV-OCSFYXMYSA-N 364.936 4.716 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCCC2)N1 587685913 SBVAAVKRGGROKS-HWPZZCPQSA-N 360.698 4.747 50 1 FJGF COc1ccc(C2Sc3ccccc3S2)cc1OC(=O)CCl 2356313222 VKKVTTYHRXJAOC-UHFFFAOYSA-N 352.864 4.736 50 1 FJGF N#C/C=C/c1ccc2c(c1)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2 13532057 MVWNPTRDUDXOPY-OWOJBTEDSA-N 367.330 4.885 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccccc1F)CC2=O 587467877 UCGUGTBDENQMTR-HXUWFJFHSA-N 371.433 4.559 50 1 FJGF O=C(N/N=C\c1ccc(Cl)cc1)C1=C(Cl)c2ccccc2CCC1 299827916 QGXJJYQNCXFYBO-UUYOSTAYSA-N 359.256 4.777 50 1 FJGF CC[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372270 IDPVEPYJXWHMRJ-HKUYNNGSSA-N 374.278 4.611 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CCl)cc1 587545880 PWMPHTWYTIJFRL-NQIIRXRSSA-N 366.800 4.834 50 1 FJGF CCCCC[C@H](O)C=CC=CCC=CC=C[C@H](CCCC(=O)O)OO 2356342597 AZHSPOPOMNJPFD-RBUKOAKNSA-N 352.471 4.656 50 1 FJGF CCOSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103213025 JHJNUYPKYXPSRJ-UHFFFAOYSA-N 372.490 4.584 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(Br)cc(F)c2[nH]1 587087700 SUVPVAGXLUMXFK-VIFPVBQESA-N 368.019 4.649 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(C(C)C)c1C)O2 587370625 APJYMEOAIKEYLR-HXUWFJFHSA-N 360.885 4.676 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587417377 MBOYPCQPNYBNDZ-JTSKRJEESA-N 370.876 4.874 50 1 FJGF CCCCC[C@@H]1O[C@H]1C[C@H](C=CC=CCC=CCCCC(=O)O)OO 2356342912 FRAUAYJDJWCREF-FHWLQOOXSA-N 352.471 4.896 50 1 FJGF C=C1CCC[C@@H]2[C@@](C)([C@@H]3C=C(C=O)C[C@H](OC(C)=O)O3)[C@H](C)CC[C@@]12C 85692879 XHEVPZPCTQRZSR-CHODJLMASA-N 360.494 4.589 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(F)c1OCCCl 587915550 UBWYMNFWWLTHOC-UHFFFAOYSA-N 357.183 4.644 50 1 FJGF CCOc1cc(C(=CC#N)c2ccc(OC)c(-n3cccc3)c2)ccc1OC 1857623311 ZWNFGCDZTYYBMZ-UHFFFAOYSA-N 374.440 4.848 50 1 FJGF CCC=C(C)C=Cc1cc(=O)cc(C(Br)Br)o1 2356715542 KMUBLDIZFBTKTA-UHFFFAOYSA-N 362.061 4.798 50 1 FJGF C[C@@H](C(=O)N/N=C/c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 103200190 DZKRCUUTTMWKSW-PVLQNKMRSA-N 364.395 4.886 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ccccc13)CC2=O 587460028 KXKBBICDXWNQOY-NRFANRHFSA-N 369.848 4.926 50 1 FJGF O=C(CCl)Nc1c(-c2cc3c4c(cccc4n2)CC3)oc2ccccc12 587209007 FFLMYRICDFRPCG-UHFFFAOYSA-N 362.816 4.924 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@H]1Cl 587463369 YBFWHSUTQHSWSA-PZJWPPBQSA-N 356.849 4.759 50 1 FJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc(Cl)cc1 64361664 XKVKYOMFXQPRHL-IBGZPJMESA-N 372.815 4.564 50 1 FJGF CC/C=C\C=C\[C@@H](C[C@H](/C=C/CCCCCCC(=O)OC)OO)OO 102182974 BGOZUGHQDFEPNG-YAKYUCMSSA-N 356.459 4.685 50 1 FJGF C=C[C@](C)(Cl)[C@H](Br)C=C[C@](C)(Cl)CBr 2356467824 GMRISVPDHRWESB-UTLUCORTSA-N 364.936 4.882 50 1 FJGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@@H]1c1cc2ccccc2nc1S 103189176 URQIQESVWAFLKK-SJORKVTESA-N 354.862 4.527 50 1 FJGF Cl[C@@H](Cn1ncc2c(NC3CCCCC3)ncnc21)c1ccccc1 34505053 KJPOARVYBQHNEV-KRWDZBQOSA-N 355.873 4.551 50 1 FJGF CC[C@@H](/C=C/C(C)=O)C[C@H](C)C[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1 49802277 HFHDSLLYEQXICI-LXDRHXSASA-N 368.514 4.944 50 1 FJGF C=C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(OO)[C@H]3CC[C@@]21C 255220582 IZHVRQHEQOOTTN-NOJXKPIPSA-N 360.494 4.905 50 1 FJGF CCCc1c(O)ccc2c1OC1(CCC(CBr)CC1)CC2=O 587455804 GGYSSNSOKUIHOD-UHFFFAOYSA-N 367.283 4.634 50 1 FJGF CC=CCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356386498 KSKGQTBFDMXQNE-AZUAARDMSA-N 354.487 4.866 50 1 FJGF CC[C@H](C=CC(C)=O)C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356688629 HFHDSLLYEQXICI-HACFZNPLSA-N 368.514 4.944 50 1 FJGF CN1CCCC[C@@H]1COC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40655725 SVLZLTILAVSOHW-HNMKQIAWSA-N 357.457 4.534 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66105213 OHOPOTPGDPXDPG-SZMJOESGSA-N 362.441 4.749 50 1 FJGF C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H](Br)[C@@H](CC)C1 2356571325 ODYCAZSSUVCHNU-MHORFTMASA-N 353.300 4.644 50 1 FJGF COc1ccc([C@H]2SCc3ccccc3S2)cc1OC(=O)CCl 2356330514 LCQLKJFIDNEHKT-KRWDZBQOSA-N 366.891 4.877 50 1 FJGF C=C(CC[C@H](O)c1cccc2ccccc12)[C@@H]1COC2(CCCC2)OO1 43356599 JXXGGXSRIARBKK-SFTDATJTSA-N 354.446 4.827 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586973772 OIDLLJHTTWQWIE-SNVBAGLBSA-N 360.211 4.518 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@H](Cl)c1ccccc1F)O2 587384480 FCRMGURVCHTFLM-WOJBJXKFSA-N 359.828 4.810 50 1 FJGF Cc1c(CBr)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993335 KLNNNJUCIZPZAG-UHFFFAOYSA-N 352.231 4.958 50 1 FJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CCCCC[C@H]1Cl 962720814 WYNYXSYFWHIQAN-NIKGAXFTSA-N 353.934 4.956 50 1 FJGF Cc1cccc(NC(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1 201472043 AVPVGUAKYNAYAK-UHFFFAOYSA-N 359.857 4.626 50 3 FJGF CO[C@@H]1O[C@]2(c3ccc(C(F)(F)F)cc3)CC[C@H]3CCCC[C@]31OO2 101376961 YVIOVDGWBXSESO-VDNDLQMASA-N 358.356 4.532 50 1 FJGF C/C(=N\NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1O 103283274 OHVIPHSSMUNNLT-HZHRSRAPSA-N 361.401 4.730 50 1 FJGF Cc1cc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc(C)c1O 963103576 FVPABWJPBXCDQQ-SFHVURJKSA-N 370.707 4.944 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@@H](Cl)c1ccccc1F)O2 587384479 FCRMGURVCHTFLM-VQTJNVASSA-N 359.828 4.810 50 1 FJGF C=C([C@H](CC)OO)[C@@H]1C(C)=C[C@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356792120 JIRQMGICGBYTAW-MLMVQYQQSA-N 374.477 4.560 50 1 FJGF CC[C@H](Br)[C@H](Br)C1=Cc2ccccc2C(=O)C1 44406452 MWNSYRNFWVETQB-GXTWGEPZSA-N 358.073 4.593 50 1 FJGF O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@H]2CCl)cc1C(F)(F)F 1772647102 XJYTTYMDYVCQIK-AWEZNQCLSA-N 370.758 4.784 50 1 FJGF C=C(C)[C@H]1Cc2cc(OOc3ccc4cc3OCC(=CC)C4)ccc2O1 2356414188 QUKHSOVXCSBPGT-OAQYLSRUSA-N 350.414 4.820 50 1 FJGF CC(=O)O[C@@H]1O[C@H]2CC(C)=CCCC(C=O)=C1[C@@H]2[C@H](C)CCC=C(C)C 2356424099 JOLKTAMDRUAINZ-CJXUKZFBSA-N 360.494 4.899 50 1 FJGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@@H](O)c2cnco2)n1 195358067 OYTLZULTHWIRLP-HIFRSBDPSA-N 352.507 4.607 50 1 FJGF COC(CC(C=O)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]12CO2)OC 2356618815 JYPIJSGQSCUHBF-GPHNJDIKSA-N 364.526 4.522 50 1 FJGF CCCCC[C@@H]1O[C@H]1CC=CC=C[C@H](CC=CCCCC(=O)O)OO 2356764484 LUBTVGBPYONJJZ-FHWLQOOXSA-N 352.471 4.896 50 1 FJGF C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CSc1ccccc1)c1ccccc1 101413259 RVWXMIWQPXTIQD-PMXSJFBMSA-N 356.487 4.556 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587188794 WUISMURTGRXEDT-SDQBBNPISA-N 356.198 4.837 50 1 FJGF N#C/C(=C(/O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1 101647064 RFKLKXQDKRLNJG-PYCFMQQDSA-N 365.392 4.744 50 1 FJGF CC[C@H](/C=C/[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182958 VLSAMZWSXZHGGX-SDNXNTPUSA-N 356.459 4.685 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccccc1F)CC2=O 587466330 LAGKXRANGIEHRW-FQEVSTJZSA-N 362.828 4.973 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(F)ccc1F)CC2=O 587466668 NHXBRPZCXCWPCA-IBGZPJMESA-N 366.791 4.722 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2Cl)N1 587707722 WSBYYKJKQKBGHS-GTTSAUCSSA-N 360.698 4.889 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(C#N)c1CBr 587898824 RNFCTSVQQHZTTM-UHFFFAOYSA-N 360.638 4.515 50 1 FJGF C[C@H](Br)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587008224 KIQCEJAGCBGRFZ-BYPYZUCNSA-N 371.982 4.800 50 1 FJGF CCC[C@@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645806 YIGWVKPBFJHHCH-IFMALSPDSA-N 354.925 4.668 50 1 FJGF CC=CC=CCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356472347 UGLSVZMADGXVFK-AZUAARDMSA-N 352.471 4.642 50 1 FJGF [C-]#[N+][C@@H]1C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C 84687280 ZHHYANZIARLNFJ-FWKFCYAVSA-N 352.865 4.791 50 3 FJGF CCc1cccc(CC)c1NC(=O)N/N=C/c1ccc(Br)cc1 149715403 MALSPTHTGYUNJG-UDWIEESQSA-N 374.282 4.730 50 1 FJGF COc1ccc2c(c1)[C@]1(C[C@H](Br)c3ccccc31)N[C@@H]1CC[C@H]21 962996299 OXRVIWKCDZWLGH-ZVEHZALQSA-N 370.290 4.628 50 1 FJGF CCCCCC[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587375173 RNLRTMWRSZLACW-KRWDZBQOSA-N 354.288 4.647 50 1 FJGF C[C@]1(c2cc(F)cc(CCl)c2O)c2ccc(F)cc2C[C@H]2CCCN21 963113213 SJXXJBBRXYBHJL-OXQOHEQNSA-N 363.835 4.693 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587417689 OMWFPBXXKFOLNJ-RSXSOOJNSA-N 363.240 4.619 50 1 FJGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccccc1 1857650288 KZBNKEWYSUNYSG-GJPUVDBCSA-N 371.440 4.505 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1C#N 2356633336 URIXGBACTIPRIZ-IFWPWEHJSA-N 352.865 4.643 50 1 FJGF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl 253664599 CJJGOHKZGMAAPQ-ZFWZSOMGSA-N 371.116 4.555 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCCC2)N1 587685916 SBVAAVKRGGROKS-QFYYESIMSA-N 360.698 4.747 50 1 FJGF Cc1ccccc1/C=N/NC(=O)c1ccc(-c2nc3cccc(C)c3[nH]2)cc1 299830956 ZWBNMZOEGIUBGS-ZVHZXABRSA-N 368.440 4.611 50 1 FJGF C[C@]1(CC(=O)NCc2cccc(C(F)(F)F)c2)CC2(CCCCC2)OO1 49694441 NFWQSVLWPXHOHS-KRWDZBQOSA-N 371.399 4.525 50 1 FJGF Cc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c(C)c1 103198970 RGVVLCHDQQUBHQ-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF N#CSc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660433 FIQWBNOLKFHRSB-UHFFFAOYSA-N 373.412 4.765 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C\C/C=C/C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169370288 XSVVTBMSEOBKQC-BCOKKRJZSA-N 352.902 4.545 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(CCl)n2)cc1 587906849 VSGTVONXOHLFHA-UHFFFAOYSA-N 359.212 4.537 50 1 FJGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 103167931 PZKLFRQNBZRSAX-HZPDHXFCSA-N 361.203 4.723 50 1 FJGF COC(=O)c1ccc(Oc2ccc3nc([C@H](Cl)CCl)[nH]c3c2)cc1 587007300 BVLXCJYTIQOFCZ-CYBMUJFWSA-N 365.216 4.661 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cc1ccc(F)cc1)CC2=O 587466297 KGCOBQWHCHUFFG-FQEVSTJZSA-N 362.828 4.669 50 1 FJGF C=C(CCC=C(C)CC[C@@H](O)C(C)(C)O)[C@H](Cl)CN=C(Cl)Cl 2356486694 AMNDLZKBOCYTMP-ZIAGYGMSSA-N 370.748 4.622 50 1 FJGF O=C(N/N=C/Cc1ccccc1)c1cc2ccccc2n1Cc1ccccc1 1857606422 LICPZMCCAPPKPC-PCLIKHOPSA-N 367.452 4.648 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(C)[nH]c3ccccc13)([C@H](C)Cl)O2 587370567 AGLMTSJGNPKEOE-YEJXKQKISA-N 368.864 4.855 50 1 FJGF Oc1ccc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 621478344 PFGSZIJWXQACGE-FXXNNWJWSA-N 356.462 4.877 50 1 FJGF COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C(C)(C)C)cc1 34917766 YHONUWNAKKJDIE-IWIPYMOSSA-N 360.457 4.910 50 1 FJGF COc1ccc2[nH]cc(/C=C(\C#N)C(=O)c3c[nH]c4cc(F)ccc34)c2c1 299827124 OXEOMQRJJOZOLY-WUXMJOGZSA-N 359.360 4.587 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccs2)N1 587849622 UTLLNXDRHUAEKW-BJOHPYRUSA-N 374.706 4.666 50 1 FJGF CCOc1ccc(-c2cccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2)cc1 2382252618 MUJRZFAMWNQLHJ-UHFFFAOYSA-N 363.369 4.880 50 1 FJGF CCCCOP(=O)(OCCCC)[C@@H]1C(C#N)=C(N)Oc2ccccc21 103249357 FDASNWGXGPIHPI-KRWDZBQOSA-N 364.382 4.640 50 1 FJGF COc1ccc(OC)c([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)c1 103523794 AZSNGOHZIXQXQR-LJQANCHMSA-N 352.434 4.672 50 1 FJGF C=C[C@](C)(Cl)[C@@H](Br)C=C[C@](C)(Cl)CBr 2356467823 GMRISVPDHRWESB-GUBZILKMSA-N 364.936 4.882 50 1 FJGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(CBr)O2 13370944 SPETWVBGYJPJER-LKTVYLICSA-N 374.116 4.971 50 1 FJGF biogenic C[C@@]1(CC(=O)NCc2cccc(Cl)c2Cl)CC2(CCCCC2)OO1 49679392 NAEVDFICEGHZLG-QGZVFWFLSA-N 372.292 4.813 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cncc(Cl)c2[nH]1 586973386 JKFILXCMVAPPIK-VIFPVBQESA-N 350.647 4.658 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CC)(CCCBr)CC2=O 587456560 QZSXZJCDOJCJGR-KRWDZBQOSA-N 355.272 4.634 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(OO)[C@H]3CC[C@]12C 2356792921 GYWWPFYRAUPILD-IMWGDMARSA-N 362.510 4.985 50 1 FJGF CCCCC[C@H]1O[C@H]1C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)OO 535385350 LUBTVGBPYONJJZ-ZYWZSPIWSA-N 352.471 4.896 50 1 FJGF in-vitro COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1F 587916208 FFXIJWYENOKXQY-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF CC(=O)OC/C(=C\CC/C(C)=C/C=O)CC/C=C(\C)[C@H](O)CC=C(C)C 238733775 ZOXDAANNUDSSLU-ORMYALOKSA-N 362.510 4.845 50 1 FJGF C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 253884030 RVWXMIWQPXTIQD-OYNPSCLESA-N 356.487 4.556 50 1 FJGF O=C=Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988758 PWTXNAGXQUEZGL-UHFFFAOYSA-N 364.360 4.786 50 1 FJGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Br)Cc1ccccc1 587279386 INAFDEYIZNSTRC-HNNXBMFYSA-N 374.190 4.530 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)cc1Cl)O2 587374611 YZAKUCPPDDLPRK-KRWDZBQOSA-N 370.663 4.984 50 1 FJGF CC(=O)OCC(=CCCC(C)=CC=O)CCC=C(C)[C@@H](O)CC=C(C)C 2356528470 ZOXDAANNUDSSLU-QFIPXVFZSA-N 362.510 4.845 50 1 FJGF CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccc(SC)cc1)CCC2 40575393 HAFCXDQCBYSZEB-PTGBLXJZSA-N 370.522 4.812 50 1 FJGF FC(F)(F)Oc1cc2nc(/C=C\CBr)[nH]c2cc1Cl 586972830 CHYUJTHCRWFLNF-UPHRSURJSA-N 355.541 4.523 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2ccc(Br)cc2[nH]1 587086948 JUSIKFIQBPZLFM-VIFPVBQESA-N 350.029 4.510 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCCC2)N1 587681717 ADMCVJCJYNHZJF-MGPLVRAMSA-N 360.698 4.747 50 1 FJGF CC1=C/C(=C/c2oc3ccccc3[n+]2C)C(C#N)=C2Sc3ccccc3N12 45389917 BHCCCDHKUVMHII-UHFFFAOYSA-N 370.457 4.906 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(OC)c(CBr)c1 587899071 YVGBICMQBJTESR-UHFFFAOYSA-N 365.654 4.652 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@@H](Cl)c1ccccc1F)O2 587384477 FCRMGURVCHTFLM-PMACEKPBSA-N 359.828 4.810 50 1 FJGF O=c1c2ccc(OCCCCl)cc2[nH]c2ccc(Cl)c(Cl)c12 1857552414 URTREXISXVITRL-UHFFFAOYSA-N 356.636 4.996 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccs2)N1 587849625 UTLLNXDRHUAEKW-VFZGTOFNSA-N 374.706 4.666 50 1 FJGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@@H]1c1cc2ccccc2nc1Cl 103176475 ZWQCORRBMBPTPJ-IRXDYDNUSA-N 357.240 4.892 50 1 FJGF Cc1cccc(C)c1NC(=O)N(C)/N=C/c1ccc(Br)cc1 149724123 PIRGRUNPNALKPR-YBFXNURJSA-N 360.255 4.564 50 1 FJGF CCCCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419677 XRXXCFDYDFYJBZ-GCJKJVERSA-N 370.876 4.920 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(O)c(C)c1)CC2=O 587460580 NJLBSMMBDPNKRS-OAQYLSRUSA-N 374.864 4.767 50 1 FJGF C=C(C)[C@@H]1Cc2cc(OOc3ccc4cc3OCC(=CC)C4)ccc2O1 2356414186 QUKHSOVXCSBPGT-NRFANRHFSA-N 350.414 4.820 50 1 FJGF C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@H](Br)[C@H](CC)C1 2356571324 ODYCAZSSUVCHNU-BDXSIMOUSA-N 353.300 4.644 50 1 FJGF O=C1c2ccccc2-c2c(CCCl)c(CCl)nc3ccc(O)c1c23 586986691 RJPYEPUJCUVXRV-UHFFFAOYSA-N 358.224 4.672 50 1 FJGF COc1ccccc1[C@H](Cc1ccccc1)N(CCCl)CCCl 169317935 NSRFDOKMIHUGSY-SFHVURJKSA-N 352.305 4.759 50 1 FJGF C#C/C=C\C[C@@H](OC(C)=O)[C@H]1C/C=C/C[C@H](Br)[C@@H](CC)C1 238765849 ODYCAZSSUVCHNU-UKRGJOKQSA-N 353.300 4.644 50 1 FJGF CCCN(CCC)c1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 40540364 MWQRUWIILJJTBH-NBVRZTHBSA-N 351.479 4.513 50 1 FJGF CC1(C)[C@@H](Cl)C(=CCBr)[C@@H](Cl)C[C@H]1Br 2356450471 WBDRSOKGNBUNSZ-YIZRAAEISA-N 364.936 4.716 50 1 FJGF C=C[C@]1(C)C(N=C)=C2[C@H](C[C@H]1Cl)C(C)(C)[C@]21C(=O)Nc2ccccc21 2356672863 AHJXWWIWKRQSNL-GEOUXAIOSA-N 354.881 4.691 50 1 FJGF CCc1nc2cccc3c2c(c1CCBr)-c1ccccc1C3=O 587102077 PDKUWAVVASWPLQ-UHFFFAOYSA-N 366.258 4.946 50 1 FJGF Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cn1 1239308 HGENXAQKSVZTSF-LSHDLFTRSA-N 374.227 4.721 50 1 FJGF N#CSCCOc1ccc(Oc2ccccc2)cc1Br 29485645 QPSGEHZTIJHFMK-UHFFFAOYSA-N 350.237 4.834 50 1 FJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc(C)c2C)C(C)(C)C)c1 34743049 RSLMFTSJRXSAOA-UHFFFAOYSA-N 352.478 4.506 50 1 FJGF C=C([C@H](CC)OO)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356792122 JIRQMGICGBYTAW-XTMYYITASA-N 374.477 4.560 50 1 FJGF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@H](CCl)c2c1ccc1[nH]ccc21 96913711 AAYVYSQBZXEGNI-LBPRGKRZSA-N 367.811 4.771 50 1 FJGF Cn1c(/C(C#N)=C(\O)c2cc(Cl)sc2Cl)nc2ccccc21 101794232 AXYRGFAJDDAHNJ-LCYFTJDESA-N 350.230 4.891 50 1 FJGF C=C[C@@]1(C)[C@@H](C#N)C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@H]2C[C@H]1Cl 2356633335 URIXGBACTIPRIZ-GROJBJASSA-N 352.865 4.643 50 1 FJGF CC1(C)[C@H](Br)CC=C([C@@H](Cl)CBr)[C@H]1Cl 2356860341 UEECDOMJRAGCEE-DJLDLDEBSA-N 364.936 4.716 50 1 FJGF CC1(C)[C@@H]2CC[C@H]3[C@@H](CCCO)CSSCCC4=C(C2)[C@]31CC4=O 85549696 SWIZQCAKOIUUQD-IDLUEMFASA-N 366.592 4.872 50 1 FJGF biogenic,in-vitro C[C@H](C(=O)N/N=C/c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 103200192 NLXHFLIFBNJDDH-CAUYNWHBSA-N 364.395 4.886 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1cc(C)c(C)cc1C)([C@H](C)Cl)[C@@H](C2)C3=O 587417011 IDHCTZZZVSTQBI-VELBRHGASA-N 370.876 4.891 50 1 FJGF CCCCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 38153948 DOXNOHMAKYRUIJ-LJQANCHMSA-N 353.853 4.770 50 1 FJGF C=C[C@](C)(Cl)[C@@H](Br)C=C[C@@](C)(Cl)CBr 2356467821 GMRISVPDHRWESB-AEJSXWLSSA-N 364.936 4.882 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(C)[nH]c3ccccc13)([C@H](C)Cl)O2 587370569 AGLMTSJGNPKEOE-ZSEKCTLFSA-N 368.864 4.855 50 1 FJGF CCc1ccc([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)o1 103190895 DTOFAMKXSLBAMO-UUZRGGJQSA-N 362.466 4.765 50 1 FJGF CC(C)CN(Cc1ccc(Br)cc1)C(=O)/C=C/[C@H](C)Cl 103272757 AHCVUOQRVMQJRN-FAFAAHBOSA-N 358.707 4.617 50 1 FJGF Cc1cc2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2cc1[N+](=O)[O-] 586973724 NFBBBOUEJAUKON-NSHDSACASA-N 374.238 4.826 50 1 FJGF O=C1C[C@](CCl)(COc2ccccc2)Oc2c1ccc1c2CCCC1 587496342 CKGDWGBHTHAUGQ-NRFANRHFSA-N 356.849 4.587 50 1 FJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC[C@H]2Cl 587502153 UEBHUPKJLXGZAU-IRLDBZIGSA-N 352.861 4.980 50 1 FJGF CC(=O)OCC1=C(C=O)[C@@H]([C@H](C=O)CCC=C(C)CCC=C(C)C)CC1 2356624367 WASCKIDXJIYGSY-PZJWPPBQSA-N 360.494 4.743 50 1 FJGF Cc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2S)cc1 103189195 PAOITCVSMNJAQZ-IAGOWNOFSA-N 354.862 4.527 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)cc(C)c(C)c1C)O2 587371960 IPQCHMANFASZAJ-OAQYLSRUSA-N 357.881 4.910 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccccc2)N1 587685772 RQJADNSFJXXBCB-APPDUMDISA-N 368.677 4.605 50 1 FJGF CN(C(=O)Oc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 49766505 MEMSOCXJXAIBNT-UHFFFAOYSA-N 362.385 4.815 50 1 FJGF [C-]#[N+][C@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)NC=O)O2)[C@@H]2C=C(C)CC[C@@H]21 59304183 GBTPTPUHMWBISR-NBIPDHRESA-N 358.526 4.509 50 1 FJGF C=C(C)[C@@H]1Cc2cc(OOc3ccc4cc3OC/C(=C/C)C4)ccc2O1 238781482 QUKHSOVXCSBPGT-DPDMALBLSA-N 350.414 4.820 50 1 FJGF CCC(CC)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689010 OQKQJEXWFJWQFR-QLJPJBMISA-N 362.714 4.993 50 1 FJGF CN1CCc2c(Br)cccc2[C@@H]1c1ccccc1CCl 963278478 BJZFVXTULJBHJZ-KRWDZBQOSA-N 350.687 4.765 50 1 FJGF CCc1c(C)[nH]c2c1/C(=N/N(C)C(=O)Nc1ccc(Cl)cc1)CCC2 3948595 UIIAXKLBALVNHM-HAVVHWLPSA-N 358.873 4.743 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416497 AKQZYGQTLSXEEK-GQNMWPQZSA-N 356.849 4.582 50 1 FJGF CCN1C(C)=C(C#N)[C@H](c2ccc(F)cc2F)C(C(=O)OC(C)(C)C)=C1C 58564057 VMIHCUUPZAZFAX-IBGZPJMESA-N 374.431 4.797 50 1 FJGF CCC[C@@H](O[Si](C)(C)C(C)(C)C)c1coc([C@H](O)c2cnco2)n1 195358084 OYTLZULTHWIRLP-UKRRQHHQSA-N 352.507 4.607 50 1 FJGF COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3c[nH]c4cc(F)ccc34)c2c1 299830506 XAJYZGDFMIYEMO-WUXMJOGZSA-N 359.360 4.587 50 1 FJGF CCOC(=O)[C@@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993315 JWTFTFDWGKBOKB-SFHVURJKSA-N 365.816 4.598 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CCCl)c1)CC2=O 587458362 ATAKTVWWCGDBGN-OAQYLSRUSA-N 374.864 4.712 50 1 FJGF CC(C)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544968 PULOQINRIFGUFB-FXAWDEMLSA-N 360.837 4.768 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(F)c1CBr 587914830 HVKQMMNEWDKMJV-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF Cl[C@@H]1[C@H](Cl)C(Cl)(Cl)C(Cl)(Cl)[C@@H](Cl)[C@@H]1Cl 2356535511 BYCVNFIIFYYLRN-YCAKELIYSA-N 359.722 4.777 50 1 FJGF CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)([C@H](O)CCl)CC[C@@]12C 238764429 UEEXTGQAXVJDKR-WVGHKPTNSA-N 354.918 4.620 50 1 FJGF C=Cc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 147649474 QVNHMQXBVVECEM-UHFFFAOYSA-N 350.462 4.532 50 1 FJGF Cc1ccnc2c1CCN[C@@]2(CCCCCCl)c1ccc(Cl)nc1 963083454 CGSOUEXWPMIBQW-IBGZPJMESA-N 364.320 4.627 50 1 FJGF N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1 49070730 FZAPPHMXVLWNFB-OTWHNJEPSA-N 359.878 4.662 50 1 FJGF C=C[C@]1(C)[C@H](N=C)[C@]2(O)c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@H]1Cl 238751665 CZZUVXKBVZAPLB-WDMKGZBDSA-N 356.897 4.536 50 1 FJGF CC=CC=CCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356472350 UGLSVZMADGXVFK-UYAOXDASSA-N 352.471 4.642 50 1 FJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)C(C)=CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 136926883 TZBUDFVBFXJTEH-PGWLQFJSSA-N 365.945 4.973 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCCC2)N1 587681716 ADMCVJCJYNHZJF-HWPZZCPQSA-N 360.698 4.747 50 1 FJGF C#C/C=C\C[C@@H](O)[C@@H](Cl)C/C=C\C[C@@H](Cl)[C@@H](Br)CC 71330339 GGOGTQISOAHDFM-PDXGQBOUSA-N 368.142 4.652 50 1 FJGF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 169318280 VMVFRSFCWUVWNY-STZQEDGTSA-N 369.892 4.781 50 1 FJGF Cc1ccc([C@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100614 KJVXSNWVKWKGRE-FXAWDEMLSA-N 374.297 4.793 50 1 FJGF CC1(C)COC2(CCC3(CC2)OOC2(CC(C)(C)CC(C)(C)C2)O3)OC1 43470161 BDBWXTQYKADENR-UHFFFAOYSA-N 368.514 4.937 50 1 FJGF C#C/C=C/C[C@@H](OC(C)=O)[C@H]1CC=CC[C@H](Br)[C@@H](CC)C1 238731501 ODYCAZSSUVCHNU-HFYKNQQCSA-N 353.300 4.644 50 1 FJGF N#C/C(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)=C(/O)C1CC1 100784989 HEYYCOHMOUDXEF-ZCXUNETKSA-N 354.793 4.816 50 1 FJGF COCCN(C(=O)CCl)C(=C(C)C)c1cccc(Oc2ccccc2)c1 103191748 OLTUSFVFYKMGJH-UHFFFAOYSA-N 373.880 4.944 50 1 FJGF CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)OO 263614155 AZHSPOPOMNJPFD-YGNZZZABSA-N 352.471 4.656 50 1 FJGF in-vitro CC1([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587325186 CMSPNSSIRSTSOI-XLIONFOSSA-N 360.812 4.668 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1ccccc1F)CC2=O 587466055 JGSLIEVGMOTGGV-HXUWFJFHSA-N 362.828 4.669 50 1 FJGF O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@H]2CCl)c(C(F)(F)F)c1 1772621962 BYOBIGMVQKPTSM-AWEZNQCLSA-N 370.758 4.784 50 1 FJGF CCCCC[C@@H]1O[C@@H]1CC=CC=C[C@H](CC=CCCCC(=O)O)OO 2356764485 LUBTVGBPYONJJZ-GBESFXJTSA-N 352.471 4.896 50 1 FJGF O=C(N/N=C/c1ccc2ccccc2c1)c1cc2c(cn1)[nH]c1ccccc12 1857746999 RPJAVFJBNFEEEB-DHRITJCHSA-N 364.408 4.633 50 1 FJGF C=C(CC/C=C(\C)CC[C@H](O)C(C)(C)O)[C@H](Cl)CN=C(Cl)Cl 13375052 AMNDLZKBOCYTMP-BLOBHPOZSA-N 370.748 4.622 50 1 FJGF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@@H](Cl)C[C@@H]1Cl 49872337 CJJGOHKZGMAAPQ-MWODSPESSA-N 371.116 4.555 50 1 FJGF CCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(C)s2)c1 13139681 MTTSOESQIKQVMS-HMAPJEAMSA-N 371.506 4.585 50 3 FJGF N#C/C(=C\c1ccc(OCCN2CCCCC2)cc1)c1noc2ccccc12 40554399 KUFSQRPOEXGGKA-KNTRCKAVSA-N 373.456 4.757 50 1 FJGF O=C(NNc1cccc2ncccc12)C1(c2cccc(F)c2)CCCCC1 40956131 BOWGPHINFXSPHC-UHFFFAOYSA-N 363.436 4.719 50 1 FJGF N=c1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c[nH]1 587253772 DVGUBCGECWLSAX-UHFFFAOYSA-N 350.316 4.619 50 1 FJGF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1Br)CC2=O 587458150 GVNWEJXKVJTWDS-FUHWJXTLSA-N 367.283 4.776 50 1 FJGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)cc1 103176493 VWERXUGUJPKHKJ-IRXDYDNUSA-N 357.240 4.892 50 1 FJGF CCCC[C@@H](Cl)C(=O)C(Br)=C(Cl)Br 2356614259 NMDPPOUMKSWJMM-RXMQYKEDSA-N 352.881 4.551 50 1 FJGF O=C(CSC1c2ccccc2-c2ccccc21)N/N=C\c1ccccc1 33459905 ORBUIKAYGUWJMS-UCQKPKSFSA-N 358.466 4.640 50 1 FJGF C=C[C@@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C 238766798 RJTCNPYHVCTUNM-FWKFCYAVSA-N 354.881 4.572 50 1 FJGF FC(F)(F)c1cc2nc(CCCCBr)[nH]c2cc1Cl 586972172 JLVIBODSDNHBPN-UHFFFAOYSA-N 355.585 4.953 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H](C3)[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587333106 VBFPIMULVQGEEB-AATWJZHMSA-N 372.823 4.666 50 1 FJGF O=C1C[C@](CCl)(Cc2ccccc2F)Oc2c1ccc1c2CCCC1 587508060 YDTVGUNVSLUYMC-NRFANRHFSA-N 358.840 4.890 50 1 FJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@]12NCCc1nc3ccccn3c12 962986362 SXEAJEDUFMWYRW-UTKZUKDTSA-N 371.601 4.640 50 1 FJGF C[C@]12CC3CC(C(=O)NNc4c(Cl)cncc4Cl)(C1)C[C@](C)(C3)C2 101511504 NOCHVNGRKPLDQR-HRTXAKCWSA-N 368.308 4.828 50 1 FJGF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@H](Cl)CCC(C)=CCCC(C)=CC[C@H]12 2356575760 AEKUHSZDYHCQSS-MLYOOKFZSA-N 352.902 4.689 50 1 FJGF CCc1[nH]c2c(c1CC)/C(=N/NC(=O)Nc1ccc(SC)cc1)CCC2 40767204 SBLKQINVDIASRQ-PTGBLXJZSA-N 370.522 4.724 50 1 FJGF Cc1ccc(O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 43422747 ONMOKNITOLPIIM-VXPQEUECSA-N 374.477 4.582 50 1 FJGF CC[C@H](/C=C/C(C)=O)C[C@H](C)C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 238751412 HFHDSLLYEQXICI-FYAHYOCJSA-N 368.514 4.944 50 1 FJGF N#Cc1ccc2c(C(=O)/C=C/c3ccc(/C=C/C(=O)Cl)cc3)coc2c1 587279636 YPCGYOOWCZIDMN-KZZDLZNXSA-N 361.784 4.979 50 1 FJGF Cc1ccc(C2OOC(c3ccc(/C=N\c4cccnc4)cc3)OO2)cc1 72170924 GMJDEFNBKSUZMI-QRVIBDJDSA-N 362.385 4.748 50 1 FJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CCl)c1)CC2=O 587460658 ONPRKAHDGYHNFT-IBGZPJMESA-N 360.837 4.799 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(OO)[C@@H]3CC[C@]12C 2356792922 GYWWPFYRAUPILD-MHGHICSPSA-N 362.510 4.985 50 1 FJGF CC1(C)Oc2c(C=O)cc3c([nH]c4ccccc43)c2C[C@@H]1Br 72113313 GWOJXOIWQKOVEE-HNNXBMFYSA-N 358.235 4.611 50 1 FJGF N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1 95587009 JYVBHYCROLBWTA-NTUHNPAUSA-N 365.647 4.870 50 1 FJGF C#C/C=C\C[C@@H](OC(C)=O)[C@H]1CC=CC[C@H](Br)[C@@H](CC)C1 238765838 ODYCAZSSUVCHNU-XNIIUVPKSA-N 353.300 4.644 50 1 FJGF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1NC(=O)CBr 587628180 PAEIDYBCIGAWJY-UHFFFAOYSA-N 361.642 4.591 50 1 FJGF Cc1ccc([C@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375842 VJECRSBVOMZNBK-ORAYPTAESA-N 374.278 4.530 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Br)CC3 586986808 WEELVVGUPDZNDB-GFCCVEGCSA-N 366.214 4.534 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)c(F)c1)CC2=O 587466098 JRDVAIPLUAWHEM-LJQANCHMSA-N 366.791 4.722 50 1 FJGF Cc1cc(F)c([C@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1F 963098683 JAAZXRHBZFISIM-YWZLYKJASA-N 365.826 4.915 50 1 FJGF CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccc(F)cc2)o1 95585131 FPYUVOHDRTTYOA-DNIUXWFRSA-N 371.416 4.676 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 587086938 JPAYDUGXXRSEOI-HNNXBMFYSA-N 373.229 4.843 50 1 FJGF CCCN1[C@@H](C)Cc2ccccc2[C@]12C(C=O)=COc1cc(Cl)ccc12 963243312 RPPNQDXUURVZRU-NYHFZMIOSA-N 367.876 4.715 50 1 FJGF C/C(=N\NC(=O)c1nc2ccccc2[nH]1)c1ccc(C2CCCCC2)cc1 1857639881 RXZKOASYHWDQJN-MFKUBSTISA-N 360.461 4.765 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(OO)[C@H]3CC[C@]12C 2356401554 IZHVRQHEQOOTTN-DFRGPYRISA-N 360.494 4.905 50 1 FJGF Cc1cc(-c2c(F)cc3c(c2F)N(C2CC2)C=CC3=C(C#N)C#N)cc(C)n1 1484041 NXMGROCXTDJOGD-UHFFFAOYSA-N 374.394 4.941 50 1 FJGF COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1F 586972760 BCEOOPQUVUWHRO-SNVBAGLBSA-N 363.230 4.757 50 1 FJGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1O 587497663 JWMZWDCCPDENQO-JOCHJYFZSA-N 370.876 4.987 50 1 FJGF CCC(CC)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689006 OQKQJEXWFJWQFR-MGPLVRAMSA-N 362.714 4.993 50 1 FJGF CC1(C)[C@H]2CC[C@H]3[C@@H](CCCO)CSSCCC4=C(C2)[C@]31CC4=O 2356353814 SWIZQCAKOIUUQD-XASIKMQRSA-N 366.592 4.872 50 1 FJGF CC/C=C\C=C\[C@@H](/C=C/[C@H](CCCCCCCC(=O)OC)OO)OO 102182923 GIYLADJCFNKDBC-QHTNVDCWSA-N 356.459 4.685 50 1 FJGF O=C(NN(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 84670557 BHFRRLWDWMVEBH-UHFFFAOYSA-N 367.792 4.731 50 1 FJGF Cc1ccc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 169318573 IUCTXIDXIIZNOQ-WVBUVRCRSA-N 369.892 4.762 50 1 FJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCl)cc1)CC2=O 587462263 WXAQDJMFPAGGPE-LJQANCHMSA-N 360.837 4.669 50 1 FJGF CC(=O)O[C@@H]1O[C@H]2CC(C)=CCCC(C=O)=C1[C@H]2[C@H](C)CCC=C(C)C 2356424100 JOLKTAMDRUAINZ-MOFCZTIZSA-N 360.494 4.899 50 1 FJGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCCSC#N)[C@@H]2O 26261502 LWNMNXJSGQWQDZ-VFNOWPHASA-N 371.546 4.830 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(F)c(F)c2[nH]1 586973341 IAFPYOIDDRKBRR-SECBINFHSA-N 351.194 4.888 50 1 FJGF Cc1c(Br)ccc2nc([C@H](Br)C(C)(C)F)[nH]c12 587087271 NMYPLMPCHVEXAC-JTQLQIEISA-N 364.056 4.818 50 1 FJGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1O 587497664 JWMZWDCCPDENQO-QFIPXVFZSA-N 370.876 4.987 50 1 FJGF CC(C)CC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688243 JXWGWUFYLIFDMO-MEDUHNTESA-N 362.714 4.993 50 1 FJGF CC1(C)[C@H](Cl)C[C@@H](Cl)C(=CCBr)[C@@H]1Br 2356426153 XOVLIHYBBINBFV-HLTSFMKQSA-N 364.936 4.716 50 1 FJGF CC1([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587325187 CMSPNSSIRSTSOI-YLJYHZDGSA-N 360.812 4.668 50 1 FJGF N#CC(C#N)=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587505643 MZYNNZQJJOOMEY-DEOSSOPVSA-N 366.420 4.631 50 1 FJGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@@H]1c1cc2ccccc2nc1Cl 103176480 ZWQCORRBMBPTPJ-SJORKVTESA-N 357.240 4.892 50 1 FJGF CCOC(=O)/C=C/c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1 230522541 GLKHKASGUMUKIA-ZRDIBKRKSA-N 352.579 4.690 50 1 FJGF in-vitro CCCC[C@H](O[Si](C)(C)C(C)(C)C)c1csc(S(N)(=O)=O)c1 169983178 RZGPGKVZRUOYFO-ZDUSSCGKSA-N 363.621 4.649 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(F)c(CBr)c1F 587916506 NMWZTDUVSFSNCS-UHFFFAOYSA-N 371.608 4.922 50 1 FJGF CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)CCl 587625207 DUPLPMFUKPUKJA-UHFFFAOYSA-N 372.696 4.945 50 1 FJGF COC(=O)Cc1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625274 FFWSVFLENUDSDV-UHFFFAOYSA-N 373.680 4.660 50 1 FJGF CC1=CC=C[C@@H]2N=C(SSC3=N[C@H]4C=CC=C[C@@H]4S3)S[C@@H]12 169364875 VWFYYOQGNYFXME-CYDGBPFRSA-N 350.559 4.690 50 1 FJGF CCCCC[C@H]1O[C@H]1C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO 535385313 FRAUAYJDJWCREF-FEXRMQIKSA-N 352.471 4.896 50 1 FJGF in-vitro COCCN(C(=O)CCl)C(=C(C)C)c1ccc(Oc2ccccc2)cc1 103191751 NLYRRCJRXBTWJI-UHFFFAOYSA-N 373.880 4.944 50 1 FJGF BrCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 586972113 GPZXLJDXMBIDME-UHFFFAOYSA-N 359.267 4.860 50 1 FJGF N#CSC[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506505 TXIWOFMQRQBXHS-OAQYLSRUSA-N 367.445 4.779 50 1 FJGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2ccc(Cl)cc12 1857764963 CSEXKHQXZVQZBG-UHFFFAOYSA-N 367.324 4.618 50 1 FJGF C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 36143028 MYJOHEAQVGLUIX-NMGFGJDYSA-N 352.453 4.767 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)cc(C)c(C)c1C)[C@@H](C2)C3=O 587419033 WDVHWOUAFHBDQM-JTSKRJEESA-N 370.876 4.811 50 1 FJGF COC(=O)C[C@@H]1OO[C@@](C)(CC(C)=CC=CCc2ccccc2)C[C@@H]1C 2356500438 UCBLCZYWNMERCT-VCOUNFBDSA-N 358.478 4.800 50 1 FJGF C=C1C(=O)O[C@@H]2C[C@](C)(O)[C@H](Cl)CCC(C)=CCCC(C)=CC[C@@H]12 2356575761 AEKUHSZDYHCQSS-XFKSJGNHSA-N 352.902 4.689 50 1 FJGF C/C=C/[C@@H](C[C@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182986 KHLRSDSKUCXNKZ-PGKWSCASSA-N 356.459 4.685 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CCl)c1 587545344 OVXZGCBYVCBDJI-WIYYLYMNSA-N 366.800 4.834 50 1 FJGF C=C(c1ccc(C)cc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 44052647 NZERRMWWKQYZKA-PSDZMVHGSA-N 372.461 4.505 50 1 FJGF C=C1C(=O)O[C@H]2C[C@@](C)(O)[C@@H](Cl)CC/C(C)=C/CC/C(C)=C/C[C@H]12 238760503 AEKUHSZDYHCQSS-VURMTFLWSA-N 352.902 4.689 50 1 FJGF CC[C@@H](Br)[C@H](Br)C1=Cc2ccccc2C(=O)C1 44406456 MWNSYRNFWVETQB-TZMCWYRMSA-N 358.073 4.593 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(O)=CC3=C(C#N)[C@H]12 238734900 QUGUMGCXHOUAOZ-LGGPRVQUSA-N 353.462 4.747 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cnc2[nH]1 586972807 CBRANVJBNLHGHZ-VIFPVBQESA-N 350.647 4.658 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc3ccccc3c1)O2 587408880 JIYWBKHIGVYJJM-JOCHJYFZSA-N 374.465 4.805 50 1 FJGF O=C(CBr)N1c2ccccc2Sc2ccc(Cl)cc21 578194 KBHKWYLKAYSBGW-UHFFFAOYSA-N 354.656 4.864 50 1 FJGF CCN(CC)CCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 40554510 RPIAJXHDXOGRCT-OBGWFSINSA-N 361.445 4.613 50 1 FJGF CC1=C(C#N)[C@H](c2ccc(F)cc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 49088314 MPFVEJCVRPLSQN-KRWDZBQOSA-N 362.832 4.579 50 1 FJGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCC2)[C@H]1c1ccc(F)cc1 587327863 RZJIKGRRGDFJJK-ICSRJNTNSA-N 360.812 4.668 50 1 FJGF CC[C@H](C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329489 XYSYANBRQJFYBX-UOXRKKOCSA-N 362.828 4.914 50 1 FJGF O=[N+]([O-])c1ccc2c(CCBr)c(-c3ccc(F)cc3)[nH]c2c1 587646076 SOMRXSHVDKXNQP-UHFFFAOYSA-N 363.186 4.820 50 1 FJGF C=N[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@]1(C)[C@H]1CO1 2356456085 QZDVELJTPJLQCK-OULVPZJFSA-N 356.897 4.644 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CSC#N)(c2ccc(F)cc2)N1 962946359 LUQFTWYRPBOWRF-IIBYNOLFSA-N 365.477 4.689 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CCCCl)N1 587686114 SPIUOINRYRVVCB-XPTSAGLGSA-N 369.105 4.576 50 1 FJGF O=[S@@](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)CC1CC1 586957920 AUOAKWJGGJUBKZ-OAQYLSRUSA-N 360.373 4.879 50 1 FJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc(Cl)cc1 58590646 XKVKYOMFXQPRHL-LJQANCHMSA-N 372.815 4.564 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@]2(C)CCl)N1 587686442 VJPGXENFNBOKGD-GTTSAUCSSA-N 360.698 4.747 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587188796 WUISMURTGRXEDT-WUXMJOGZSA-N 356.198 4.837 50 1 FJGF O=C1C[C@](CBr)(C2CCCC2)Oc2c1ccc1c2CCCC1 587498592 INGIPQRSABQEGW-IBGZPJMESA-N 363.295 4.855 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)cs1 587613936 QFWXGPMKKQEFMS-LPHOPBHVSA-N 372.829 4.895 50 1 FJGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCCl)C[C@H]12 61946591 QVNXSMZFEJEFHR-SBMVPMKASA-N 368.989 4.996 50 3 FJGF CC(=O)O[C@@H]1CC(C)=CCC=C(C=O)[C@H](C=O)[C@@H]1[C@@H](C)CCC=C(C)C 2356389652 BRAYWWGCSCTEOS-MVWVFHAYSA-N 360.494 4.597 50 1 FJGF Cc1ccnc2c1CCN[C@]2(CCCCCCl)c1ccc(Cl)nc1 963083457 CGSOUEXWPMIBQW-LJQANCHMSA-N 364.320 4.627 50 1 FJGF Cc1cc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)ccc1Cl 26576874 XKKMOEYNCDOGJQ-UHFFFAOYSA-N 363.196 4.713 50 1 FJGF C=C(CC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1COC2(CCCCC2)OO1 43356571 VRSQYSDBDVDNGJ-MSOLQXFVSA-N 352.858 4.717 50 1 FJGF CC=CCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 2356386499 KSKGQTBFDMXQNE-ICSRJNTNSA-N 354.487 4.866 50 1 FJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@]12NCCc1nc3ccccn3c12 962986356 SXEAJEDUFMWYRW-DYESRHJHSA-N 371.601 4.640 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(C)c(C)c1C)O2 587371870 HKNIVIVKLRZAAR-OAQYLSRUSA-N 357.881 4.910 50 1 FJGF N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)c1c[nH]c2ccccc12 2382236798 OYUGXAYQXDOINU-VZUCSPMQSA-N 357.196 4.970 50 1 FJGF Cc1cc(Oc2ccc(/C=N\NC(=O)c3ccncc3)cc2)ccc1Cl 66074152 ZAIPLFKPJRMIFD-QRVIBDJDSA-N 365.820 4.600 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccs2)N1 587848667 PCXBSZMVRJJATQ-PSLIRLAXSA-N 374.706 4.666 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(C)c(C)cc(C)c1C)O2 587374362 XJENSIOLKXCTAH-OAQYLSRUSA-N 357.881 4.910 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CCCCl)N1 587686881 XWKWFKARIRFHTH-OTYXRUKQSA-N 369.105 4.576 50 1 FJGF CC[C@@H](/C=C/C=C\C[C@@H](/C=C/CCCCCCC(=O)OC)OO)OO 102182996 VSFQDXUQTUGXLX-ZQWZTILYSA-N 356.459 4.685 50 1 FJGF C[C@]1(c2csc(C(=O)CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587533903 YMCFEPHHUXIHAH-HXUWFJFHSA-N 374.889 4.929 50 1 FJGF CC(=O)Nc1ccc2[nH]cc(/C(C#N)=C/c3cccc4cnccc34)c2c1 1857772892 YLZVWBPIGCNBLU-RQZCQDPDSA-N 352.397 4.739 50 1 FJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CSC#N)(c2ccc(F)cc2)N1 962946361 LUQFTWYRPBOWRF-KKSFZXQISA-N 365.477 4.689 50 1 FJGF CCc1ccc(/C=N/NC(=O)C2=C(Cl)c3ccc(Cl)cc3C2)s1 1857542632 AOQXJGFKAZTXFC-AWQFTUOYSA-N 365.285 4.620 50 1 FJGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43834349 VVUDNAVGLAULSR-NHGFTMMOSA-N 366.498 4.736 50 1 FJGF O=C1c2ccc(O)cc2O[C@@](CCl)(C2CCC2)[C@@H]1c1ccc(F)cc1 587327865 RZJIKGRRGDFJJK-QUCCMNQESA-N 360.812 4.668 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1cc(F)cc(F)c1 1857596900 LHQFKVDBJUEKBL-SFHVURJKSA-N 368.770 4.990 50 1 FJGF Oc1ccc(-c2cc(CCCCC[C@H]3CCSS3)n[nH]2)cc1O 28823698 MXEIBOQMWHWTMC-AWEZNQCLSA-N 350.509 4.745 50 1 FJGF Cc1[nH]c2c(c1C)/C(=N/NC(=O)Nc1ccc(C(F)(F)F)cc1)CCC2 40575781 OETJATAWCMBCGI-BUVRLJJBSA-N 364.371 4.512 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(N(C)C(=S)Cl)cc1 587919285 KBPKQKMPUWGCKC-UHFFFAOYSA-N 350.270 4.708 50 1 FJGF CCCCC[C@@H]1O[C@@H]1C[C@H](C=CC=CCC=CCCCC(=O)O)OO 2356342913 FRAUAYJDJWCREF-GBESFXJTSA-N 352.471 4.896 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587087420 QCAGKPXKVCEMTQ-SECBINFHSA-N 357.120 4.905 50 1 FJGF CC[C@H](C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329482 XYSYANBRQJFYBX-FOPRYUNUSA-N 362.828 4.914 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@H](C)Cl)O2 587371137 DEPQJDNTKAVROL-YUNKPMOVSA-N 354.837 4.547 50 1 FJGF Oc1ccc2c(c1)[C@](CCCCCl)(c1cccc(Cl)c1)NCC2 963341099 KFHJNQQIQDHHIF-IBGZPJMESA-N 350.289 4.844 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1NC(=O)[C@H](C)Cl 587901356 ZWDJLUCOSCLHJG-ZDUSSCGKSA-N 362.256 4.623 50 1 FJGF C=C(CCC=C(C)CC[C@H](O)C(C)(C)O)[C@@H](Cl)CN=C(Cl)Cl 2356486691 AMNDLZKBOCYTMP-KBPBESRZSA-N 370.748 4.622 50 1 FJGF FC(F)(F)c1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1 587008152 KUNBTQUVEYMYLC-ZCFIWIBFSA-N 361.976 4.863 50 1 FJGF C[C@]12CC[C@H]3[C@@H](CCC4=C(C#N)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCCO1 118934005 VVAKLLJMUSHSSJ-UKDKZDHASA-N 353.506 4.961 50 1 FJGF CC(C)(C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320463 AJNGPBZFSYGMAI-FXAWDEMLSA-N 362.828 4.914 50 1 FJGF CC[C@@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500627 TZIHXZVJLAAGCA-GOSISDBHSA-N 351.284 4.855 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(CBr)c1F 587916533 OCJNXZSYPKDYRN-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cl)ccc1O 84670044 DQNGCPGJQQGUMO-AWEZNQCLSA-N 370.792 4.657 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CCCCl)N1 587686879 XWKWFKARIRFHTH-LKFCYVNXSA-N 369.105 4.576 50 1 FJGF CC(C)(OO[C@]1(c2ccccc2)NC(=O)c2ccccc21)c1ccccc1 95568524 HMFZRRUCECUKJO-QHCPKHFHSA-N 359.425 4.515 50 3 FJGF C[C@]1(CCl)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587541488 BYWHYUSPZDBVHE-AHRSYUTCSA-N 358.821 4.522 50 1 FJGF CCOC(=O)[C@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993314 JWTFTFDWGKBOKB-GOSISDBHSA-N 365.816 4.598 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)c(C)cc1C)([C@H](C)Cl)O2 587373615 RTUCXKXALPUOCP-BTYIYWSLSA-N 357.881 4.990 50 1 FJGF C#C/C=C/C[C@@H](OC(C)=O)[C@H]1C/C=C/C[C@H](Br)[C@@H](CC)C1 238731504 ODYCAZSSUVCHNU-CQKRPIBLSA-N 353.300 4.644 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(CBr)c1 587916730 PVDZZJPWGITOBR-UHFFFAOYSA-N 353.618 4.782 50 1 FJGF CC(C)c1nn(C)c2c1[C@@](CCCCl)(c1ccccc1Cl)NCC2 962912828 ASRKGHGGUCPVQT-LJQANCHMSA-N 366.336 4.605 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1c(F)cccc1Cl)O2 587380490 ACYQIGYNSLGQHI-SFHVURJKSA-N 368.235 4.555 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CCl)c1 587545340 OVXZGCBYVCBDJI-NQIIRXRSSA-N 366.800 4.834 50 1 FJGF CC(C)=CC/C=C(/C)C/C=N/NC(=O)Nc1nnc(-c2ccccc2)o1 95583495 HHCSTKZFTNPGGE-IAQAJHLVSA-N 353.426 4.537 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ccccc13)CC2=O 587460029 KXKBBICDXWNQOY-OAQYLSRUSA-N 369.848 4.926 50 1 FJGF CC1(C)[C@H](Br)C[C@@H](Cl)C(=CCBr)[C@H]1Cl 2356450470 WBDRSOKGNBUNSZ-IWSPIJDZSA-N 364.936 4.716 50 1 FJGF C=C[C@]1(C)C(N=C)=C2[C@H](C[C@@H]1Cl)C(C)(C)[C@@]21C(=O)Nc2ccccc21 2356672864 AHJXWWIWKRQSNL-LUNSWOAPSA-N 354.881 4.691 50 1 FJGF CC(C)c1ccc(OCc2cccc(C(=O)N/N=C\c3cccnc3)c2)cc1 33293628 GNNCLSPMYYSQBW-MYYYXRDXSA-N 373.456 4.548 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)c(C)cc1C)([C@H](C)Cl)O2 587373620 RTUCXKXALPUOCP-YCRPNKLZSA-N 357.881 4.990 50 1 FJGF Cc1cc(Br)cc2nc([C@H](Br)C(C)(C)F)[nH]c12 587086999 KUSYETJNESMSLA-JTQLQIEISA-N 364.056 4.818 50 1 FJGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1cccc(Cl)c1 59034373 BOGUZBMJIZACGY-PFONDFGASA-N 366.726 4.790 50 1 FJGF CCCCC[C@@H](O)C=CC=CCC=CC=C[C@H](CCCC(=O)O)OO 2356342599 AZHSPOPOMNJPFD-RTBURBONSA-N 352.471 4.656 50 1 FJGF O=C(N/N=C/c1ccc(Br)cc1)Nc1cccc2ccccc12 53294944 WDFWHPKSVSRPDT-UDWIEESQSA-N 368.234 4.758 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587416921 GGVKYGCQMSROPV-UWJYYQICSA-N 356.849 4.700 50 1 FJGF CC(=CCC[C@@H](C)CC(=O)O)CCC=C(C)CCCC1=CC(=O)OC1=O 2356705567 ULSWZKPKBXRFOP-QGZVFWFLSA-N 362.466 4.730 50 1 FJGF COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](Cl)c1ccccc1F)[C@@H](C2)C3=O 587425651 GDKLUMZVPCSDKK-JHVJFLLYSA-N 372.823 4.711 50 1 FJGF CCCCC[C@@H](O)C=CC=CCC=CC=C[C@@H](CCCC(=O)O)OO 2356342593 AZHSPOPOMNJPFD-MOPGFXCFSA-N 352.471 4.656 50 1 FJGF COc1cccc(C[C@@H](c2ccccc2)N(CCCl)CCCl)c1 139335562 STROOZZDQANQON-IBGZPJMESA-N 352.305 4.759 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O 587416724 DBARGNICLGNHPT-LAUBAEHRSA-N 373.880 4.576 50 1 FJGF CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cccc3cnccc23)cc1 95579102 HOFPVFVFOSSUCE-BGTIHQIHSA-N 371.484 4.786 50 1 FJGF C/C(=N\NC(=O)Nc1c(C)cccc1C)c1ccc(Br)cc1 149725229 HHIPDIHTXYSZPD-DEDYPNTBSA-N 360.255 4.612 50 1 FJGF COc1ccc(-c2nc(CCl)c(C)o2)c2ccc(C(F)(F)F)nc12 28950170 AJKZDULCTIIISF-UHFFFAOYSA-N 356.731 4.964 50 1 FJGF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1C1[C@@H](Cl)C[C@H]1Cl 49872336 CJJGOHKZGMAAPQ-YKHHBYBVSA-N 371.116 4.555 50 1 FJGF Cn1c2c(c3ccccc31)/C(=N/NC(=O)Nc1ccccc1)c1ccccc1-2 95589431 ZLJMSVXAFAIJBJ-NJNXFGOHSA-N 366.424 4.733 50 1 FJGF COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3o2)cc(OC)c1OC 103290820 CLASEPDGJNKJPR-WUXMJOGZSA-N 370.792 4.571 50 1 FJGF C=C[C@@]1(C)[C@H](O)C[C@H]2[C@H](c3c[nH]c4cccc(c34)C2(C)C)[C@H]1N=C=S 38696163 NUQRVLVXINMDRL-DJNKVENRSA-N 352.503 4.587 50 1 FJGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl 64373501 ONKZDCQXCSLGRS-IBGZPJMESA-N 372.815 4.564 50 1 FJGF O=C(N/N=C/C1=Cc2ccccc2O[C@H]1c1ccccc1)c1cccs1 1772628209 PRSZXDWCDGDLLY-ISXGRJCASA-N 360.438 4.681 50 1 FJGF CC(C)COc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008545 PKEANJVYXFGYOL-SECBINFHSA-N 366.086 4.879 50 1 FJGF Cc1ccc([C@@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530713 DKOWXEJZRRKEFH-QFIPXVFZSA-N 363.482 4.949 50 1 FJGF Cc1ccc2oc(=O)c(-c3cccc(OCCBr)c3)cc2c1 653754299 CJGUGSJGGULCKI-UHFFFAOYSA-N 359.219 4.542 50 1 FJGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 103167930 PZKLFRQNBZRSAX-HOTGVXAUSA-N 361.203 4.723 50 1 FJGF CN1/C(=C(C#N)\C(C#N)=C2\Sc3ccccc3N2C)Sc2ccccc21 40461575 CHVDSOLPNFAJIV-IWGRKNQJSA-N 374.494 4.941 50 1 FJGF CCCOc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586971928 AQEMBUKGDYZOAZ-ARJAWSKDSA-N 374.076 4.522 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1Br)CC2=O 587458149 GVNWEJXKVJTWDS-AEFFLSMTSA-N 367.283 4.776 50 1 FJGF Cc1ccc(C2OOC(c3ccc(CNc4cccnc4)cc3)OO2)cc1 72174355 DLZAVNZQHYZKBQ-UHFFFAOYSA-N 364.401 4.610 50 1 FJGF O=C1CC2(CCC(CBr)CC2)Oc2c1ccc1c2CCCC1 587500180 RNGKAPPOONABEA-UHFFFAOYSA-N 363.295 4.855 50 1 FJGF N#C/C(=C(/O)CN1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 101469302 ZSUCHMLXVVXKKJ-ICFOKQHNSA-N 359.882 4.742 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCl)cc2)N1 587683410 GWSWOGYEQXEWAA-BMLIUANNSA-N 368.677 4.951 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccs2)N1 587848666 PCXBSZMVRJJATQ-BJOHPYRUSA-N 374.706 4.666 50 1 FJGF COc1ccc2c(c1)[C@]1(C[C@H](Br)c3ccccc31)N[C@H]1CC[C@@H]21 962996296 OXRVIWKCDZWLGH-DILOTOHQSA-N 370.290 4.628 50 1 FJGF C=C[C@]1(C)C(N=C)=C2[C@H](C[C@H]1Cl)C(C)(C)[C@@]21C(=O)Nc2ccccc21 2356672865 AHJXWWIWKRQSNL-UTQQSMSJSA-N 354.881 4.691 50 1 FJGF C[C@]1(CC(=O)NCc2cccc(Cl)c2Cl)CC2(CCCCC2)OO1 49679389 NAEVDFICEGHZLG-KRWDZBQOSA-N 372.292 4.813 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1csc3ccccc13)O2 587412440 CJCPENZEQNTUMS-IBGZPJMESA-N 357.862 4.891 50 1 FJGF C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(-n2c(C)ccc2C)cc1 103238059 SHZIJPQTJVNMLI-XQNSMLJCSA-N 365.864 4.902 50 1 FJGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccccc1 1857653376 UUBABRILIFJVIK-DQYQWZCESA-N 355.441 4.799 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(Cc1ccc(F)cc1)CC2=O 587466298 KGCOBQWHCHUFFG-HXUWFJFHSA-N 362.828 4.669 50 1 FJGF O=C1C[C@@](CCl)(c2ccc3c(c2)COC3)Oc2c1ccc1c2CCCC1 587499970 WZNDPROMLHWIJG-JOCHJYFZSA-N 368.860 4.695 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCl)cc2)N1 587684584 LFLMXEZGEYCEMV-BMLIUANNSA-N 368.677 4.951 50 1 FJGF O=C(N/N=C/c1ccccc1)c1ccc(-c2nc3ccccc3s2)cc1 299857831 DCAWMNZOMFIYNG-HYARGMPZSA-N 357.438 4.727 50 1 FJGF Cn1c(/C(C#N)=C/c2ccc(-c3cccs3)s2)[n+](C)c2ccccc21 73273697 YZEZAMSIDOPQDH-WYMLVPIESA-N 362.503 4.857 50 1 FJGF Cc1cccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2Cl)c1 103176489 SOIVMOXXIBUJLJ-SJORKVTESA-N 357.240 4.892 50 1 FJGF O=P(c1ccccc1)(c1ccccc1)N(c1cccnc1)c1cccnc1 95595876 LQVYUDPCNNIYBD-UHFFFAOYSA-N 371.380 4.544 50 1 FJGF C/C(N)=C(/C#N)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922661 RWETXYIMGANREQ-NTCAYCPXSA-N 352.438 4.570 50 1 FJGF CCCCC[C@@H]1O[C@@H]1CC=CCC=CC=C[C@@H](CCCC(=O)O)OO 2356343279 KTJVOVFOUDDZLQ-GBESFXJTSA-N 352.471 4.896 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586973771 OIDLLJHTTWQWIE-JTQLQIEISA-N 360.211 4.518 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(/C=C\C=O)c1F)CC2=O 587466139 KAXGXFMBLLKIHT-HUPBUCHYSA-N 368.404 4.577 50 1 FJGF N#Cc1ccc(-c2cccc(CBr)c2Br)cc1 2382259953 LCEACDQNPQBKCC-UHFFFAOYSA-N 351.041 4.883 50 1 FJGF CC1(C)[C@H](Br)C([C@H](Cl)CBr)=CC[C@H]1Cl 85951857 KLDHSFADDPCRTJ-IWSPIJDZSA-N 364.936 4.716 50 1 FJGF biogenic Cc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)cc1 103176495 VWERXUGUJPKHKJ-IAGOWNOFSA-N 357.240 4.892 50 1 FJGF COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1C 586973828 OZBFOIRCGBSVTK-LBPRGKRZSA-N 359.267 4.927 50 1 FJGF C[C@@]12CC3CC(C(=O)NNc4c(Cl)cncc4Cl)(C1)C[C@](C)(C3)C2 84654092 NOCHVNGRKPLDQR-YVBDQSFBSA-N 368.308 4.828 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(CBr)c1OC 587898269 HSZJNXSOLOSEOE-UHFFFAOYSA-N 365.654 4.652 50 1 FJGF CC(C)c1nn(C)c2c1[C@](CCCCl)(c1ccccc1Cl)NCC2 962912826 ASRKGHGGUCPVQT-IBGZPJMESA-N 366.336 4.605 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Cl)nc2[nH]1 586974365 VOGPFFQFMXCQOG-SECBINFHSA-N 350.647 4.658 50 1 FJGF CC1=CC=C[C@@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@H]4S3)S[C@@H]12 58534525 VWFYYOQGNYFXME-XQHKEYJVSA-N 350.559 4.690 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C2CCC2)([C@@H](C)Br)N1 962943300 GOFOQTQECOPNJL-TVZGQMOCSA-N 361.327 4.871 50 1 FJGF Cc1ccc(C)c(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1 103198972 ZGQJECISIKVETQ-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF CC1([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587325173 CMSPNSSIRSTSOI-PXNSSMCTSA-N 360.812 4.668 50 1 FJGF COc1ccc(-c2noc(CCCC[C@@H]3CCSS3)n2)cc1OC 28823683 UTLPSFFHCKTCTR-CYBMUJFWSA-N 366.508 4.620 50 1 FJGF C[C@]1(CCl)CCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962716759 VWSQEQOUUOBCPB-ZMYBRWDISA-N 353.934 4.814 50 1 FJGF COC(=O)C[C@H](C)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587788047 ZKAQWPQTQOSELD-MRVPVSSYSA-N 358.332 4.962 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C)Cl)CC2=O 587461124 XFAHFEYRNDPMKF-LHSJRXKWSA-N 358.865 4.919 50 1 FJGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3c(F)cccc3Cl)c2c1 587648988 FXSRDTUDRNXHCY-UHFFFAOYSA-N 372.248 4.770 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2ccc(F)c(Br)c2[nH]1 587087695 SSUBKUGWBXJWLV-VIFPVBQESA-N 368.019 4.649 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587419213 XDSPLEXUIXQZTQ-PGRDOPGGSA-N 370.876 4.811 50 1 FJGF O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1Cc2ccccc2C[C@@H]1CCl 1772580764 BOSVZWMQMBAQFG-CQSZACIVSA-N 370.758 4.784 50 1 FJGF CCOC(=O)OCC[C@@]1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C 196926528 BYGLBKKWZOEHIQ-YJBOKZPZSA-N 358.551 4.699 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@H](Cl)c1ccccc1F)O2 587384478 FCRMGURVCHTFLM-UXHICEINSA-N 359.828 4.810 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(F)cc1)CC2=O 587466758 MOQFGFVJSUPMRU-FQEVSTJZSA-N 371.433 4.559 50 1 FJGF O=c1c2ccccc2oc2cccc(OCCCCCBr)c12 1857749483 LIHKUTBKEOFISB-UHFFFAOYSA-N 361.235 4.890 50 1 FJGF CCCCC[C@H](O)C=CC=CCC=CC=C[C@@H](CCCC(=O)O)OO 2356342595 AZHSPOPOMNJPFD-OALUTQOASA-N 352.471 4.656 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCCCC1 587541983 FEMOHRJUNGWXJA-GHTZIAJQSA-N 372.848 4.912 50 1 FJGF Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N(C(C)C)C(C)C)cc1 45388995 WGSSXDZOVDPUPT-ZZEZOPTASA-N 372.962 4.610 50 1 FJGF COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)([C@@H](C)Cl)[C@@H](C2)C3=O 587416502 AKQZYGQTLSXEEK-JRQSSSKMSA-N 356.849 4.582 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C)Cl)CC2=O 587461126 XFAHFEYRNDPMKF-SPLOXXLWSA-N 358.865 4.919 50 1 FJGF CN(CCCN=C=S)CCCN1c2ccccc2CCc2ccccc21 1660208 JKICPVXOEYVMOI-UHFFFAOYSA-N 365.546 4.738 50 1 FJGF CC(C)Oc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587008722 QXIYYKYJIRICDQ-QMMMGPOBSA-N 352.059 4.631 50 1 FJGF O=C(C(Cl)=C(Nc1ccccc1)Nc1ccccc1)C(Cl)Cl 1856742 HVVAPRILWHZUKT-UHFFFAOYSA-N 355.652 4.991 50 1 FJGF COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1F 586972759 BCEOOPQUVUWHRO-JTQLQIEISA-N 363.230 4.757 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCCl)N1 587686108 SPIUOINRYRVVCB-LKFCYVNXSA-N 369.105 4.576 50 1 FJGF CC[C@@H](/C=C/C=C/C=C/[C@@H](CCCCCCCC(=O)OC)OO)OO 102182934 UCGDFIITNRZSQM-KMNYLBFTSA-N 356.459 4.685 50 1 FJGF COC(=O)[C@@H](Cl)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586992583 DNUNJZKAFGGJJN-KRWDZBQOSA-N 365.816 4.516 50 1 FJGF Cc1cc(Cl)cc2c(CN3C(=O)c4ccccc4C3=O)c(CCl)[nH]c12 587623841 RSJFURYFUDGEAK-UHFFFAOYSA-N 373.239 4.665 50 1 FJGF CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)CCCC2 103234586 UZMLCTWNCYGBHT-YYDJUVGSSA-N 372.468 4.968 50 1 FJGF O=C1C[C@](CCl)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587508342 UYDZOHWPSVLDGT-FQEVSTJZSA-N 362.803 4.943 50 1 FJGF Cc1ccc([C@@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100620 KJVXSNWVKWKGRE-PXNSSMCTSA-N 374.297 4.793 50 1 FJGF CC[C@H](C=CC(C)=O)CCC[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356313270 VIKYMDHMJZRUGH-PNYFIKQUSA-N 354.487 4.698 50 1 FJGF O=C(CCCCl)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587209441 PHBCOEPDGBNYSY-UHFFFAOYSA-N 350.849 4.958 50 1 FJGF C/C=C/C=C/CCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 85666233 UGLSVZMADGXVFK-WVPVFDNMSA-N 352.471 4.642 50 1 FJGF COc1ccc([C@@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)cc1OC 103650120 RSOOTTPDCIHHRN-LJQANCHMSA-N 352.434 4.672 50 1 FJGF CCCc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417119 JJPOBNZDZGFEIL-UTKZUKDTSA-N 356.849 4.529 50 1 FJGF COc1ccc2c(c1)[C@]1(C[C@H](Br)c3ccccc31)N[C@H]1CC[C@H]21 962996297 OXRVIWKCDZWLGH-QRKUABHPSA-N 370.290 4.628 50 1 FJGF Cc1cc([C@H](Cl)c2ccc(F)cc2)nc(Nc2ccc(C#N)cc2)n1 169349003 JSCRICQIWDZRGU-GOSISDBHSA-N 352.800 4.868 50 1 FJGF [C-]#[N+]C(C)(C)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)([N+]#[C-])[C@@H]3CCC(C)=C[C@@]32O)O1 238770815 QXZMTPFLKWPTJR-JPKYEYPISA-N 356.510 4.797 50 1 FJGF CCc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417698 OPZUPBZTMIHIDM-VVUGWJFESA-N 356.849 4.528 50 1 FJGF C[C@]1(c2ccc(O)c(CCCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587497888 LKBRBRMWIQRASU-JOCHJYFZSA-N 370.876 4.933 50 1 FJGF Cc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br 587087106 LXTIEMRQRIGDOB-SNVBAGLBSA-N 364.056 4.818 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C(Cl)Cl)O2 587374555 YSOFSMPUMZMEEV-QGZVFWFLSA-N 370.663 4.895 50 1 FJGF Cc1nc(-c2cccc(Cl)c2)ccc1C(=O)N/N=C/c1ccc(F)cc1 1857634967 FVOHMNGYJIVKNN-FSJBWODESA-N 367.811 4.613 50 1 FJGF Cc1ccc(N[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 43693282 KTQTWJHUBHMSIE-VXPQEUECSA-N 373.493 4.615 50 1 FJGF C[C@@H]1CC[C@@H]2[C@@H](CCCc3ccccc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195244039 JEYREVQJWDNMSE-BZTVQMSLSA-N 372.505 4.871 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](Br)C3 587101500 HIACXLUKDKZLHT-LLVKDONJSA-N 364.242 4.698 50 1 FJGF C[C@@]1(c2cc(F)cc(CCl)c2O)c2ccc(F)cc2C[C@H]2CCCN21 963113214 SJXXJBBRXYBHJL-UZLBHIALSA-N 363.835 4.693 50 1 FJGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261183706 WSERQFGVGAQEHG-FQEVSTJZSA-N 369.403 4.783 50 1 FJGF CCOc1ccc([C@H](Nc2ccccc2)P2(=S)OCCCO2)cc1 3651851 WQYKWMJCRBDVBA-GOSISDBHSA-N 363.419 4.942 50 1 FJGF CCCc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1 103183580 ZESHJUIZOWZVPB-UHFFFAOYSA-N 372.896 4.878 50 1 FJGF N#C/C(=C\c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587187019 CGYQXSCZLNDUTA-IZZDOVSWSA-N 364.277 4.676 50 1 FJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccccn1 963195967 PSDBQXKPACATRJ-JTHBVZDNSA-N 373.887 4.687 50 1 FJGF Cc1ccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)cc1C 103198975 DQXWHYDKDDYWRB-UHFFFAOYSA-N 358.869 4.543 50 1 FJGF CCN1C(C)=C(C#N)[C@@H](c2ccc(F)cc2F)C(C(=O)OC(C)(C)C)=C1C 62224650 VMIHCUUPZAZFAX-LJQANCHMSA-N 374.431 4.797 50 1 FJGF C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(OO)[C@@H]3CC[C@@]12C 2356401557 IZHVRQHEQOOTTN-RDBVJRLBSA-N 360.494 4.905 50 1 FJGF CC1(C)[C@@H](Br)C[C@H](Cl)/C(=C\CBr)[C@@H]1Cl 85637043 WBDRSOKGNBUNSZ-AFEQIJMISA-N 364.936 4.716 50 1 FJGF CC(C)(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587502014 ZRRIZUCRFNUMMW-SFHVURJKSA-N 351.284 4.710 50 1 FJGF CCCCCCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 1857629727 SGXLXYKROIZDNE-RCCKNPSSSA-N 371.437 4.855 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(F)cc1F)CC2=O 587465435 DTXVYOJUOIDYNP-LJQANCHMSA-N 366.791 4.722 50 1 FJGF CCOc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(=N)[C@@H]2C#N)cc1 169693236 JURKBYHAYQLFQN-DNVCBOLYSA-N 372.453 4.647 50 1 FJGF O=C1C[C@@](CCl)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587498888 QDSWJCCEPRZRDP-JOCHJYFZSA-N 368.860 4.600 50 1 FJGF Oc1ccc(-c2cc(CCCCC[C@@H]3CCSS3)n[nH]2)cc1O 28823697 MXEIBOQMWHWTMC-CQSZACIVSA-N 350.509 4.745 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccnc(Cl)c2[nH]1 586974757 ZCCJMZIDSQBYHQ-VIFPVBQESA-N 350.647 4.658 50 1 FJGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccccc1 1857627673 MADTVHUKJREECX-DHIUTWEWSA-N 369.468 4.638 50 1 FJGF Cc1cc2cn(-c3cccc(C(=O)N/N=C/c4ccco4)c3)cc2cc1C 584905132 JOUFONRDAYRIBB-FSJBWODESA-N 357.413 4.604 50 1 FJGF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccccc2)N1 587683830 ICYBJYMBPLXTOH-PIGZYNQJSA-N 368.677 4.605 50 1 FJGF CC(C)C1=CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]12C=C[C@](C)(O)CC2 653803299 PQTHMEBRSAXTAA-DZFGPLHGSA-N 364.602 4.877 50 1 FJGF CC[C@H](C)[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963123026 OUCILARYVOBUIT-XPTSAGLGSA-N 351.115 4.775 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3cccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190898 RMJPLSNZORGXDK-CEGFPARRSA-N 350.480 4.671 50 1 FJGF Cc1cnc(Nc2ccc(C#N)cc2)nc1[C@H](Cl)c1ccc(F)cc1 169349009 PFOALFHNBUSGMO-QGZVFWFLSA-N 352.800 4.868 50 1 FJGF Cc1nc2cccc3c2c(c1CCBr)-c1ccccc1C3=O 587102095 PWEQCPVLIIHCLZ-UHFFFAOYSA-N 352.231 4.692 50 1 FJGF C=CCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326914 NLLQGBSIYFPWIL-ICSRJNTNSA-N 360.812 4.834 50 1 FJGF N#C/C(=C\c1cccc(OCCN2CCCCC2)c1)c1noc2ccccc12 40640891 DTUVTKGZUXAXBP-XDJHFCHBSA-N 373.456 4.757 50 1 FJGF CO[C@]1(c2ccc(OC(F)(F)F)cc2)C=CC2(CCCCCC2)OO1 38158541 LHRQLDHDFRVVRV-QGZVFWFLSA-N 358.356 4.995 50 1 FJGF CCN(CC)CCOc1cccc(/C=C(\C#N)c2noc3ccccc23)c1 40554463 JYHDNEUNQXUQPR-NBVRZTHBSA-N 361.445 4.613 50 1 FJGF Cc1ccc(N[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 43693284 KTQTWJHUBHMSIE-KUNJXQGOSA-N 373.493 4.615 50 1 FJGF COC(=O)c1ccc(Oc2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)cc1 587007302 BVLXCJYTIQOFCZ-ZDUSSCGKSA-N 365.216 4.661 50 1 FJGF CCC[C@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645812 YIGWVKPBFJHHCH-IRLDBZIGSA-N 354.925 4.668 50 1 FJGF C[C@]1(CCl)CCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962716751 VWSQEQOUUOBCPB-GDIGMMSISA-N 353.934 4.814 50 1 FJGF Cc1cccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2S)c1 103189189 NXZHYXHOYXKVHQ-SJORKVTESA-N 354.862 4.527 50 1 FJGF CC(C)[Si](Oc1ncc(B2OC(C)(C)C(C)(C)O2)o1)(C(C)C)C(C)C 221638251 DPZVQGAELLGXKG-UHFFFAOYSA-N 367.371 4.528 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(=O)CC2)OO1 43393948 KMTGCLWODBXVPJ-NRFANRHFSA-N 350.414 4.553 50 1 FJGF CC(=O)O[C@@H]1C/C(C)=C/C/C=C(/C=O)[C@H](C=O)[C@H]1[C@H](C)CCC=C(C)C 95909254 BRAYWWGCSCTEOS-BXEWSYJJSA-N 360.494 4.597 50 1 FJGF biogenic,in-vitro C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 44032126 RVWXMIWQPXTIQD-ZIBCJSCZSA-N 356.487 4.556 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C2CCC2)([C@@H](C)Br)N1 962943296 GOFOQTQECOPNJL-BBEGDGIKSA-N 361.327 4.871 50 1 FJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ccccn1 963195953 PSDBQXKPACATRJ-FYYLOGMGSA-N 373.887 4.687 50 1 FJGF COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1 5885633 NFHMOPGSWSLEKZ-UHFFFAOYSA-N 371.912 4.759 50 1 FJGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)c1ccc(Cl)cc1 101275874 RHICTKBBHQRDBK-PFONDFGASA-N 366.726 4.790 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)[C@H](Cl)C3=C[C@@H]12 169721121 VJHRREKAEQBGOA-PIOPFGHZSA-N 362.897 4.587 50 1 FJGF FC(F)(F)c1c(Br)ccc2nc([C@H](Cl)CCl)[nH]c12 587009133 XBFCKHCKBRVYHW-RXMQYKEDSA-N 361.976 4.863 50 1 FJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@H]1Cl 587463367 YBFWHSUTQHSWSA-CTNGQTDRSA-N 356.849 4.759 50 1 FJGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(=O)CC2)OO1 43620333 AGRPLIAIEWBNAS-QFIPXVFZSA-N 364.441 4.943 50 1 FJGF CCCCC[C@H](C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)O)OO 2356459601 SGUKUZOVHSFKPH-FVVUREQNSA-N 368.470 4.517 50 1 FJGF O=C(NN=C(c1ccccc1)c1ccccc1)[C@H](CCl)C1CCCCC1 36387640 QWRCXEXELYGFKN-HXUWFJFHSA-N 368.908 4.991 50 3 FJGF Cc1cc(/C=C/C#N)ccc1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40587801 FHPSDGUUMXPNGR-NSCUHMNNSA-N 352.401 4.681 50 1 FJGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1ccc(NC(C)=O)cc1 963221359 AHXVWZVFSHDPIJ-ZHRRBRCNSA-N 370.924 4.784 50 1 FJGF CCCCC[C@H](C=C[C@@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2)OO 2356347905 QXCRWNZYEVOQMB-RHQZKXFESA-N 370.486 4.741 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(O)=CC3=C(C#N)[C@@H]12 136977922 QUGUMGCXHOUAOZ-MXNKGDRCSA-N 353.462 4.747 50 1 FJGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)c(C)cc(C)c1C)[C@@H](C2)C3=O 587419719 YJQBGUMOAYBZGJ-HTAPYJJXSA-N 370.876 4.811 50 1 FJGF CCCCC[C@@H]1O[C@@H]1C[C@@H](C=CC=CCC=CCCCC(=O)O)OO 2356342911 FRAUAYJDJWCREF-CEXWTWQISA-N 352.471 4.896 50 1 FJGF CCCOc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587008871 RFWQNIIFRIYAOY-MRVPVSSYSA-N 352.059 4.633 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(F)cc1)CC2=O 587465527 FIWHGBYSPANUFB-HXUWFJFHSA-N 362.828 4.973 50 1 FJGF N#CSc1c(-c2ccc(F)cc2)nc2sc(Cc3ccccc3)nn12 71295892 BYQAEITWWZEVRC-UHFFFAOYSA-N 366.446 4.761 50 1 FJGF CC/C=C\C=C\[C@@H](C[C@@H](/C=C/CCCCCCC(=O)OC)OO)OO 102182969 BGOZUGHQDFEPNG-NTWACASZSA-N 356.459 4.685 50 1 FJGF CC[C@]1(CCCBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500631 TZIHXZVJLAAGCA-SFHVURJKSA-N 351.284 4.855 50 1 FJGF O=C(NN/C=C1\C=Nc2ccccc21)c1sc2ccccc2c1Cl 13122723 GMZBZXKGIUWDDP-ZHACJKMWSA-N 353.834 4.546 50 3 FJGF Cc1ccc([C@@H]2CC(=O)[C@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 103294615 IUCTXIDXIIZNOQ-XWFZLUIHSA-N 369.892 4.762 50 1 FJGF Clc1cc(Br)cc2nc(CCCCBr)[nH]c12 586972467 SNZLGQBJJSBIRW-UHFFFAOYSA-N 366.484 4.696 50 1 FJGF COc1ccc(-c2noc(CCCC[C@H]3CCSS3)n2)cc1OC 28823684 UTLPSFFHCKTCTR-ZDUSSCGKSA-N 366.508 4.620 50 1 FJGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(-n3cccc3)c2)ccc1OC 84538228 ZWNFGCDZTYYBMZ-YBFXNURJSA-N 374.440 4.848 50 1 FJGF O=C1C[C@](CCl)(c2ccc3c(c2)COC3)Oc2c1ccc1c2CCCC1 587499971 WZNDPROMLHWIJG-QFIPXVFZSA-N 368.860 4.695 50 1 FJGF O=C1C[C@@](CCl)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587503137 CTQQXXDGDKJDMR-OAQYLSRUSA-N 358.840 4.890 50 1 FJGF CC(=CCC[C@H](C)CC(=O)O)CCC=C(C)CCCC1=CC(=O)OC1=O 2356705566 ULSWZKPKBXRFOP-KRWDZBQOSA-N 362.466 4.730 50 1 FJGF N#C/C(=C\c1ccccc1OCCN1CCCCC1)c1noc2ccccc12 33985430 IWUZCKYZKUGJOZ-KNTRCKAVSA-N 373.456 4.757 50 1 FJGF C=C[C@](C)(Cl)[C@@H](Br)/C=C/[C@](C)(Cl)CBr 137586798 GMRISVPDHRWESB-JKNZDJNPSA-N 364.936 4.882 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cccc(Br)c2[nH]1 587086842 HTHMUNBVXIPKHL-VIFPVBQESA-N 350.029 4.510 50 1 FJGF COc1cc(C#Cc2cc(Cl)ccc2OC)c2oc(CCl)nc2c1 587911955 ZUXZQFIAKFOSHH-UHFFFAOYSA-N 362.212 4.637 50 1 FJGF COc1ccc2cc(NC(=O)N/N=C\c3ccc(Cl)cc3)ccc2c1 31872703 HKDNBRRQHJXWPY-MTJSOVHGSA-N 353.809 4.657 50 1 FJGF CCC(CC)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685876 BOPXCRLJZKVQMI-HWPZZCPQSA-N 362.714 4.993 50 1 FJGF CCCCC[C@@H](/C=C/[C@@H]1[C@@H]2C[C@@H](OO2)[C@H]1CCCCCCC(=O)O)OO 85589381 QXCRWNZYEVOQMB-NDWDMBLISA-N 370.486 4.741 50 1 FJGF endogenous,in-man O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@@H]2CCl)cc1C(F)(F)F 1772647104 XJYTTYMDYVCQIK-CQSZACIVSA-N 370.758 4.784 50 1 FJGF Cc1ccc([C@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375840 VJECRSBVOMZNBK-BFUOFWGJSA-N 374.278 4.530 50 1 FJGF C/C=C/[C@@H](C/C=C\C=C\[C@H](CCCCCCCC(=O)OC)OO)OO 102183020 UITLMMCUHHCJIE-MJGBLYOGSA-N 356.459 4.685 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cccc(OC(F)(F)F)c2[nH]1 587086713 HBQXARQCZUPRQI-SECBINFHSA-N 355.129 4.646 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc(Br)c(F)cc2[nH]1 587086617 FKLISKHTMAYQEG-VIFPVBQESA-N 368.019 4.649 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccc(C#N)cc1 1857603538 FINJHAQGTBPEME-LJQANCHMSA-N 357.800 4.583 50 1 FJGF C[C@@]1(CC(=O)NCc2ccc(Cl)cc2Cl)CC2(CCCCC2)OO1 49695572 LGUYBEAVWZPOML-QGZVFWFLSA-N 372.292 4.813 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(C)[nH]c3ccccc13)([C@@H](C)Cl)O2 587370564 AGLMTSJGNPKEOE-ASSNKEHSSA-N 368.864 4.855 50 1 FJGF C#CC=CC[C@H](O)[C@H](Cl)CC=CC[C@H](Cl)[C@H](Br)CC 2356524480 GGOGTQISOAHDFM-BARDWOONSA-N 368.142 4.652 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Cl)cc1Cl)O2 587374612 YZAKUCPPDDLPRK-QGZVFWFLSA-N 370.663 4.984 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](Br)C3 587101504 HIACXLUKDKZLHT-NSHDSACASA-N 364.242 4.698 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCCCCC1)O2 587376651 XUENLPMLNUXKAX-GOSISDBHSA-N 366.299 4.647 50 1 FJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CCl)c1)CC2=O 587460660 ONPRKAHDGYHNFT-LJQANCHMSA-N 360.837 4.799 50 1 FJGF CC1(C)CCC[C@]2(C)O[C@]3(/C=C/c4ccccc4[N+](=O)[O-])C=C[C@@]12OO3 299837059 PCWJWNYHHZPGEO-RJAXKOLQSA-N 357.406 4.560 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)ncc2[nH]1 586973667 MQJIFRYBHPPDDS-SECBINFHSA-N 350.647 4.658 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](C)Cl)O2 587372155 JWGFBMKVWNVRNN-ADLMAVQZSA-N 350.245 4.719 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587416920 GGVKYGCQMSROPV-LAUBAEHRSA-N 356.849 4.700 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587328596 JRDVANFJHXNINE-BJLQDIEVSA-N 360.812 4.810 50 1 FJGF O=C(N/N=N/c1cccs1)c1nc2ccccc2nc1-c1ccccc1 40406986 GLXAIGSKBQYTTB-UHFFFAOYSA-N 359.414 4.787 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C 2356391532 RJTCNPYHVCTUNM-LHRKNCQUSA-N 354.881 4.572 50 1 FJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1C#N 2356633338 URIXGBACTIPRIZ-XMCAXYEISA-N 352.865 4.643 50 1 FJGF C[C@H](CCl)N(C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40896146 LXNKGVSSFCNCRI-LLVKDONJSA-N 350.245 4.659 50 1 FJGF CC[C@@H](/C=C/C=C/C=C/[C@H](CCCCCCCC(=O)OC)OO)OO 102182945 UCGDFIITNRZSQM-QCZGZCHGSA-N 356.459 4.685 50 1 FJGF ClC[C@@H](Cl)c1nc2cc(Br)c(Br)cc2[nH]1 587007398 CZFZYCDKFFHEJT-ZCFIWIBFSA-N 372.875 4.607 50 1 FJGF C=CCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326911 NLLQGBSIYFPWIL-AZUAARDMSA-N 360.812 4.834 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCCC2)N1 587681718 ADMCVJCJYNHZJF-QFYYESIMSA-N 360.698 4.747 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccc(C#N)cc1CBr 587898508 LRZFMVFUMGILCN-UHFFFAOYSA-N 360.638 4.515 50 1 FJGF C=C(C)[C@@H](O)CCC(C)=CC[C@@H](CCC(C)=CC=O)C(C)(C)OC(C)=O 2356313100 SNGVQSHWDGBVQH-SFTDATJTSA-N 364.526 4.923 50 1 FJGF C/C(=N\NC(=O)Nc1nc2c(ccc3ccccc32)s1)c1ccccc1 40899572 URWCPTFQDMVWEY-YDZHTSKRSA-N 360.442 4.995 50 1 FJGF Cc1ccc([C@@H]2CC(=O)[C@@H](C)[C@H](c3ccc(C)cc3)N2C(=O)CCl)cc1 103294621 IUCTXIDXIIZNOQ-GTCCEBARSA-N 369.892 4.762 50 1 FJGF CC(C)(C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320467 AJNGPBZFSYGMAI-PXNSSMCTSA-N 362.828 4.914 50 1 FJGF COc1ccc([C@H]2C(C#N)=C(C)N=C3CC(C)(C)CC(O)=C32)c(OC)c1 19774590 YSXSBXUKBRXUFU-IBGZPJMESA-N 352.434 4.672 50 1 FJGF OCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586894862 WSGQALSMPPHENN-UHFFFAOYSA-N 367.137 4.518 50 1 FJGF C[C@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CSc1ccccc1)c1ccccc1 253884029 RVWXMIWQPXTIQD-FYZZASKESA-N 356.487 4.556 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 587187631 JQLZRTNACISOCB-NSIKDUERSA-N 363.218 4.570 50 1 FJGF N#CC(C#N)=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587505648 MZYNNZQJJOOMEY-XMMPIXPASA-N 366.420 4.631 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CSC#N)(c2ccc(F)cc2)N1 962946358 LUQFTWYRPBOWRF-IERDGZPVSA-N 365.477 4.689 50 1 FJGF C=C(C)[C@H](O)CCC(C)=CC[C@@H](CCC(C)=CC=O)C(C)(C)OC(C)=O 2356313095 SNGVQSHWDGBVQH-LEWJYISDSA-N 364.526 4.923 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(C(C)C)c1C)O2 587370620 APJYMEOAIKEYLR-FQEVSTJZSA-N 360.885 4.676 50 1 FJGF CCc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587417696 OPZUPBZTMIHIDM-LAECCNGNSA-N 356.849 4.528 50 1 FJGF Cc1cc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)cc(C)c1O 963103558 FVPABWJPBXCDQQ-GOSISDBHSA-N 370.707 4.944 50 1 FJGF C[C@H](C(=O)c1ccc(N=C=S)cc1)N1CCC(Cc2ccccc2)CC1 29046093 QUYYKWJRBQLYTE-QGZVFWFLSA-N 364.514 4.947 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)c(F)cc1Cl)O2 587382152 OTTMHFNJPQSZBV-SFHVURJKSA-N 368.235 4.778 50 1 FJGF C#CC=CC[C@H](OC(C)=O)[C@@H]1CC=CC[C@@H](Br)[C@@H](CC)C1 2356571326 ODYCAZSSUVCHNU-MLHJIOFPSA-N 353.300 4.644 50 1 FJGF COc1ccc2c(c1)[C@]1(C[C@H](Br)c3ccccc31)N[C@@H]1CC[C@@H]21 962996298 OXRVIWKCDZWLGH-VVHHDAOASA-N 370.290 4.628 50 1 FJGF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](C2=O)[C@H](Cl)CC[C@H]1C 2356624382 WFMXNCWOAAUPCM-JRRQFJJDSA-N 352.858 4.684 50 1 FJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)[C@@H](Cl)C3=C[C@@H]12 169721122 VJHRREKAEQBGOA-ZCZMFWIKSA-N 362.897 4.587 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCCCC1 587541990 FEMOHRJUNGWXJA-NQIIRXRSSA-N 372.848 4.912 50 1 FJGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)ccnc2[nH]1 586973278 HELKLEHITUPDMK-VIFPVBQESA-N 350.647 4.658 50 1 FJGF [C-]#[N+]C(C)(C)[C@H]1CC[C@@](C)([C@@H]2CC[C@@](C)(NC=O)[C@H]3CCC(C)=C[C@H]32)O1 59304180 YHDYPQOZJRRORO-NBIPDHRESA-N 358.526 4.509 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587188392 RDVWVOVZONGBST-SDQBBNPISA-N 356.198 4.837 50 1 FJGF Cc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2Cl)C(C)(C)C)cc1 103196134 UDSMHPVMWUPKBV-UHFFFAOYSA-N 372.896 4.851 50 1 FJGF COc1cc2c3c(c1)O[C@](c1cc(C)c(C)cc1C)([C@H](C)Cl)[C@@H](C2)C3=O 587417010 IDHCTZZZVSTQBI-SDYXESRWSA-N 370.876 4.891 50 1 FJGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 49113518 OIYPKHOFHSWJNC-ZVHZXABRSA-N 368.521 4.746 50 1 FJGF C=Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C)c1 103185764 JHZBYVYHQWGNBB-UHFFFAOYSA-N 364.489 4.786 50 1 FJGF C[C@@]1(c2cccc(/C=C\C=O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504940 OUJKSGPUSHKNRJ-VSFNPRRYSA-N 364.416 4.797 50 1 FJGF CC(=O)O[C@H]1CC[C@@]2(CCl)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2356751563 SIBJPHIFXVTUQA-HRFMKDBOSA-N 364.913 4.669 50 1 FJGF Oc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 43152570 CDEJZNXIWREZQX-UHFFFAOYSA-N 356.462 4.877 50 1 FJGF COC(=O)C[C@H]1OO[C@](C)(C/C(C)=C/C=C/Cc2ccccc2)C[C@H]1C 44431287 UCBLCZYWNMERCT-PFRGLRCBSA-N 358.478 4.800 50 1 FJGF C[C@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 103200196 AZDVIHIVCDEJDS-CAUYNWHBSA-N 364.395 4.886 50 1 FJGF [C-]#[N+]C1=C2[C@H](C[C@@H](Cl)[C@@]1(C)C=C)C(C)(C)[C@@]21C(=O)Nc2ccccc21 136755092 XLRFBPJWPHKLJV-OKKVMHGVSA-N 352.865 4.909 50 1 FJGF O=C1c2ccc(O)cc2O[C@](CCl)(C2CCC2)[C@H]1c1ccc(F)cc1 587327860 RZJIKGRRGDFJJK-AZUAARDMSA-N 360.812 4.668 50 1 FJGF Cc1cc2c(cc1Br)[C@]1(C)CC[C@](CBr)(O2)[C@@H]1C 5431914 AWQMSPLOQAUGPT-VCTAVGKDSA-N 374.116 4.971 50 1 FJGF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccccc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 140422501 JEYREVQJWDNMSE-LWSRDEMCSA-N 372.505 4.871 50 1 FJGF Fc1ccc(F)c([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c1 963110390 PMDYAEBQHFSCQS-INIZCTEOSA-N 362.634 4.900 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(C)ccc1NC(=O)[C@@H](C)Cl 587901355 ZWDJLUCOSCLHJG-CYBMUJFWSA-N 362.256 4.623 50 1 FJGF N#C/C(=C\c1ccc(O)c(O)c1)c1nc(-c2cc(F)ccc2F)cs1 587921731 VRPILFGJSVFSCK-VZUCSPMQSA-N 356.353 4.564 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](C)Cl)CC2=O 587460576 UPPYVSRDKNSSMA-LRTDBIEQSA-N 374.864 4.841 50 1 FJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCl)c2)N1 587681749 ALAUWOQKBJNEJP-BTDLBPIBSA-N 368.677 4.951 50 1 FJGF ClCc1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961750074 NZIYWDIXTUSFSA-KRWDZBQOSA-N 362.698 4.956 50 1 FJGF CC1(C)[C@@H](Cl)C(=CCBr)[C@H](Cl)C[C@H]1Br 2356450469 WBDRSOKGNBUNSZ-HLTSFMKQSA-N 364.936 4.716 50 1 FJGF CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O 102621735 GPKKLPRWCJJAQL-INIZCTEOSA-N 364.857 4.733 50 3 FJGF COC(C)(C)[C@@H](Br)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586970861 KYPJERHEKWQDAK-JTQLQIEISA-N 369.156 4.582 50 1 FJGF N[C@H](Cc1cscn1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587028987 CSXVCNNOJBOSCE-SECBINFHSA-N 370.372 4.919 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)cc1F)CC2=O 587465432 DTXVYOJUOIDYNP-IBGZPJMESA-N 366.791 4.722 50 1 FJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2Cl)N1 587708572 YYTGGIXARUMEBC-ZXIHIIQKSA-N 360.698 4.889 50 1 FJGF COC(CC(C=O)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]12CO2)OC 2356618817 JYPIJSGQSCUHBF-KSCDAYEDSA-N 364.526 4.522 50 1 FJGF COc1ccc(-c2noc(CBr)c2-c2ccc(OC)cc2)cc1 217017013 ZGXAXMFPKWHSLB-UHFFFAOYSA-N 374.234 4.921 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H](C3)[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587333115 VBFPIMULVQGEEB-WMKDARNFSA-N 372.823 4.666 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccccc2)N1 587685773 RQJADNSFJXXBCB-DIFFPNOSSA-N 368.677 4.605 50 1 FJGF O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H](CCl)C1CCCCC1 36387639 QWRCXEXELYGFKN-FQEVSTJZSA-N 368.908 4.991 50 3 FJGF C#C/C=C/C[C@@H](O)[C@@H](Cl)C/C=C\C[C@@H](Cl)[C@@H](Br)CC 208368756 GGOGTQISOAHDFM-LOKIIBPUSA-N 368.142 4.652 50 1 FJGF O=C1C[C@](CCl)(c2nc3ccccc3[nH]2)Oc2c1ccc1c2CCCC1 587497110 HCZBINNINFNYCU-NRFANRHFSA-N 366.848 4.541 50 1 FJGF CC(=O)O[C@H]1CC[C@@]2(CCl)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 2356751564 SIBJPHIFXVTUQA-LQPCMESDSA-N 364.913 4.669 50 1 FJGF O=C1C[C@](CCl)(c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587502220 CXMSLSIIJJLLJJ-FQEVSTJZSA-N 362.803 4.943 50 1 FJGF CC1=C(/C=C/C(C)=C/C=C(\C#N)C(C)=C(C(=O)O)C(=O)O)C(C)(C)CCC1 40743039 RPXXRGZSPDIYNW-JBEDFQQBSA-N 369.461 4.951 50 1 FJGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@]12NCCc1nc3ccccn3c12 962986363 SXEAJEDUFMWYRW-UWJYYQICSA-N 371.601 4.640 50 1 FJGF CC[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372288 IDPVEPYJXWHMRJ-PKOBYXMFSA-N 374.278 4.611 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(Cl)c(Cl)c1)O2 587372335 KKUHXKXFUNHEIP-KRWDZBQOSA-N 370.663 4.984 50 1 FJGF O=C1C[C@H](c2ccc(OCCCl)cc2)Oc2c1ccc1c2CCCC1 587498304 MOKFPBAGYPDWOT-HXUWFJFHSA-N 356.849 4.890 50 1 FJGF CC(C)c1c(P(=O)(c2ccccc2)c2ccccc2)n(C)c2ccccc12 73410580 IXKCXOBNLHYIGF-UHFFFAOYSA-N 373.436 4.941 50 1 FJGF COc1cccc(C[C@H](c2ccccc2)N(CCCl)CCCl)c1 139335661 STROOZZDQANQON-LJQANCHMSA-N 352.305 4.759 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587187572 ISWPTFCMDLUYBN-XYOKQWHBSA-N 356.198 4.837 50 1 FJGF CC[C@@H](/C=C/[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182953 VLSAMZWSXZHGGX-AVBKFTGVSA-N 356.459 4.685 50 1 FJGF C[C@@]1(c2ccc(O)c(CCCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587497891 LKBRBRMWIQRASU-QFIPXVFZSA-N 370.876 4.933 50 1 FJGF COc1ccc(Cl)cc1C#Cc1ccccc1OCCBr 587898502 LPEYMEFSCBBDBQ-UHFFFAOYSA-N 365.654 4.522 50 1 FJGF Cc1c(Br)cc2nc(CCCCBr)[nH]c2c1C 586972437 RBNURTREPZLENZ-UHFFFAOYSA-N 360.093 4.660 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(C)[nH]c3ccccc13)([C@@H](C)Cl)O2 587370565 AGLMTSJGNPKEOE-LRTDBIEQSA-N 368.864 4.855 50 1 FJGF O=C(N/N=C/[C@@H]1CCCS1)N1c2ccccc2Sc2ccccc21 73222908 NJDPGWFLAUZKLK-HCZVKUGISA-N 355.488 4.880 50 1 FJGF [C-]#[N+][C@@H]1[C@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)[C@@H]1CO1 85559503 DJVKRIUTCJPFSC-KLOJHULXSA-N 354.881 4.863 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(Br)cc(F)c2[nH]1 587087699 SUVPVAGXLUMXFK-SECBINFHSA-N 368.019 4.649 50 1 FJGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cc(F)c(C)cc1F 963257601 LJMQLHJVHMIZMT-SFHVURJKSA-N 372.242 4.563 50 1 FJGF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 587328602 JRDVANFJHXNINE-HBFSDRIKSA-N 360.812 4.810 50 1 FJGF O=C(OCC1=CC=C(COC(=O)C2CCCC2)SS1)C1CCCC1 5840035 KIJAOPOHBVGBRQ-UHFFFAOYSA-N 368.520 4.616 50 1 FJGF CC1=C[C@@H]2[C@H](CC1)[C@](C)(NC=O)CC[C@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 166255543 CFIKBMDDAXJTEV-GOGWGUGKSA-N 367.961 4.829 50 1 FJGF N#C/C(=C\c1cnc(Nc2ccc(Cl)cc2)nc1)c1nc2ccccc2[nH]1 1857748032 DPCRDZMDBCBNJO-NTEUORMPSA-N 372.819 4.814 50 1 FJGF CN(C)c1ccc2nc(/C=C/c3ccc(C=C(C#N)C#N)cc3)sc2c1 45351742 VZJRHAXQMHTCSW-JXMROGBWSA-N 356.454 4.963 50 1 FJGF CC/C=C\C=C\[C@H](C[C@H](/C=C/CCCCCCC(=O)OC)OO)OO 102182975 BGOZUGHQDFEPNG-TXVAUESPSA-N 356.459 4.685 50 1 FJGF CC1(C)C[C@@H](Cl)CN(CCCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299858531 DRKCEWHIFWNTET-IAGOWNOFSA-N 363.417 4.835 50 1 FJGF N#Cc1ccc2c(C(=O)/C=C\c3ccc(/C=C/C(=O)Cl)cc3)coc2c1 587279638 YPCGYOOWCZIDMN-PCCLLEMOSA-N 361.784 4.979 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc(F)c(F)cc1CBr 587915485 PAFXIFPIZHEXBN-UHFFFAOYSA-N 371.608 4.922 50 1 FJGF C/C=C/[C@@H](C[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182979 KHLRSDSKUCXNKZ-CLNQEENRSA-N 356.459 4.685 50 1 FJGF COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)([C@H](C)Cl)[C@@H](C2)C3=O 587416500 AKQZYGQTLSXEEK-GTXQTCRKSA-N 356.849 4.582 50 1 FJGF C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(C)o1 13143098 PMPLNJWIDXJAFM-NDENLUEZSA-N 369.248 4.594 50 3 FJGF C=C(c1ccc(C)cc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 44052650 NZERRMWWKQYZKA-AIBWNMTMSA-N 372.461 4.505 50 1 FJGF COc1cc2c3c(c1)O[C@@](c1cc(C)c(C)cc1C)([C@@H](C)Cl)[C@@H](C2)C3=O 587417009 IDHCTZZZVSTQBI-JVJLVOBOSA-N 370.876 4.891 50 1 FJGF CC[C@@H](C)[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963123028 OUCILARYVOBUIT-YMTOWFKASA-N 351.115 4.775 50 1 FJGF N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/O)c1ccc(C(F)(F)F)cc1 34493721 MFQWSWSYRAFLJC-PFONDFGASA-N 366.726 4.790 50 1 FJGF C/C=C/[C@H](C[C@H](/C=C/C=C\CCCCCCCC(=O)OC)OO)OO 102182991 KHLRSDSKUCXNKZ-BYPOCESYSA-N 356.459 4.685 50 1 FJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Br)CC3 586986955 WEELVVGUPDZNDB-LBPRGKRZSA-N 366.214 4.534 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587087822 VTSGZPJMSGWNRE-VIFPVBQESA-N 355.129 4.646 50 1 FJGF CC[C@H](C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329487 XYSYANBRQJFYBX-OPURJYLOSA-N 362.828 4.914 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(C(C)(C)C)cc1)O2 587374378 XKWPINUMJLHTDV-OAQYLSRUSA-N 357.881 4.974 50 1 FJGF CC[C@@H]1OC(=O)CCC/C=C/C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 195351873 XSVVTBMSEOBKQC-IPDMTRHESA-N 352.902 4.545 50 1 FJGF O=P(Oc1ccccc1)(Oc1ccccc1)[C@@]1(O)CCC[C@@H]1Cl 103235382 RJRKKRSCWGCEOI-IRXDYDNUSA-N 352.754 4.817 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C(Cl)Cl)O2 587374550 YSOFSMPUMZMEEV-KRWDZBQOSA-N 370.663 4.895 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CCl)cc1 587545882 PWMPHTWYTIJFRL-WIYYLYMNSA-N 366.800 4.834 50 1 FJGF CC(C)(F)[C@@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587087946 ZKFKQSQQORENLO-HNNXBMFYSA-N 373.229 4.843 50 1 FJGF C[C@@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 103200198 AZDVIHIVCDEJDS-PVLQNKMRSA-N 364.395 4.886 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cccc(OCCBr)c1 587899025 XACMHNSXORJDHO-UHFFFAOYSA-N 365.654 4.522 50 1 FJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C2CCC2)([C@H](C)Br)N1 962943298 GOFOQTQECOPNJL-BBEJJTJUSA-N 361.327 4.871 50 1 FJGF [C-]#[N+][C@@H]1[C@@H]2[C@H](CC[C@@]1(C)O)C(=C)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 73276268 WNCZWKCUIVEIGJ-SPLYQCCQSA-N 365.945 4.973 50 1 FJGF Cc1cccc([C@@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)c1 587371778 GFNDQQSNJDUOOC-DJJJIMSYSA-N 374.278 4.530 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 587086939 JPAYDUGXXRSEOI-OAHLLOKOSA-N 373.229 4.843 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CCCC1 587544900 PMDIWEUTVIQBLR-YLJYHZDGSA-N 358.821 4.522 50 1 FJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1cccc(C#N)c1 1857536172 QUAIHKMCMJQGKQ-IBGZPJMESA-N 357.800 4.583 50 1 FJGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@@H]1c1cc2ccccc2nc1S 103189169 URQIQESVWAFLKK-IRXDYDNUSA-N 354.862 4.527 50 1 FJGF COC(C)(C)[C@H](Br)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586970862 KYPJERHEKWQDAK-SNVBAGLBSA-N 369.156 4.582 50 1 FJGF COC(=O)[C@@H](Cl)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587626770 WKQFKKDALJFQMJ-JTQLQIEISA-N 373.680 4.967 50 1 FJGF CC1=CC=C[C@@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@@H]4S3)S[C@@H]12 40617172 VWFYYOQGNYFXME-VOAKCMCISA-N 350.559 4.690 50 1 FJGF [C-]#[N+]C1=C(c2ccc(F)cc2)NC(C)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261183707 WSERQFGVGAQEHG-HXUWFJFHSA-N 369.403 4.783 50 1 FJGF CC(C)Oc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587009306 ZNXOKIPHLHMBAM-ZETCQYMHSA-N 362.065 4.569 50 1 FJGF O=[S@@](/C=C/CCN=C=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857542690 RHGMNEJBFFWLNY-ZGVNINRLSA-N 373.343 4.838 50 1 FJGF CC(C)c1ccc([C@H]2[C@@H]3CSCCC3=C(C#N)C(=N)C2(C#N)C#N)cc1 169690422 RSFRARKQPFKREG-MOPGFXCFSA-N 360.486 4.534 50 1 FJGF N#CSC[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506502 TXIWOFMQRQBXHS-NRFANRHFSA-N 367.445 4.779 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Cl 587542768 BBQZFFMNUHETJY-ZWOKBUDYSA-N 358.821 4.664 50 1 FJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccs1 587613723 PYFIFKFMHLEUPK-VQIMIIECSA-N 372.829 4.550 50 1 FJGF C=C(CCC=C(C)CC[C@H](O)C(C)(C)O)[C@H](Cl)CN=C(Cl)Cl 2356486692 AMNDLZKBOCYTMP-KGLIPLIRSA-N 370.748 4.622 50 1 FJGF CC(C)(C)c1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 49695603 HMUIATLYRCNFSD-NRFANRHFSA-N 359.510 4.804 50 1 FJGF O=C(N/N=C/C1=Cc2ccccc2O[C@@H]1c1ccccc1)c1cccs1 1772628210 PRSZXDWCDGDLLY-YRXLECQKSA-N 360.438 4.681 50 1 FJGF COc1ccc(/C(C)=N/NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 28823187 ZMHOHECUKVBJRS-UFFVCSGVSA-N 374.853 4.504 50 1 FJGF N#CSC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501923 GVJTYFIOBMDYDH-NRFANRHFSA-N 367.445 4.779 50 1 FJGF BrC[C@]1(CC2CC2)NCCc2cc(-c3ccccc3)ccc21 962667625 MIOVKMJCWAOGEU-FQEVSTJZSA-N 356.307 4.890 50 1 FJGF O=C(CSc1nnc(-c2cccc(N=C=S)c2)o1)c1ccc(F)cc1 73196177 VTQRCKMBKLAANR-UHFFFAOYSA-N 371.418 4.585 50 1 FJGF CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cccc3cnccc23)cc1 95579103 HOFPVFVFOSSUCE-YCTNYIMWSA-N 371.484 4.786 50 1 FJGF CC/C=C\C=C\[C@H](C[C@@H](/C=C/CCCCCCC(=O)OC)OO)OO 102182972 BGOZUGHQDFEPNG-LXFPKOJGSA-N 356.459 4.685 50 1 FJGF CCCCOc1ccc([C@@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)cc1 223899331 UGHIXBAYVYGVQM-XMMPIXPASA-N 374.484 4.886 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587189101 ZWRWOJFFOMXJKF-IZZDOVSWSA-N 374.188 4.976 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CCl)cc1 587545881 PWMPHTWYTIJFRL-RXVVDRJESA-N 366.800 4.834 50 1 FJGF C1C2CC3CC1CC([C@@H]1OO[C@H](C45CC6CC(CC(C6)C4)C5)[C@H]4O[C@H]41)(C2)C3 43561999 ZUQRFZRGGNXHAV-HHVRMCCKSA-N 370.533 4.886 50 1 FJGF O=C1C[C@@H](c2ccc(OCCCl)cc2)Oc2c1ccc1c2CCCC1 587498303 MOKFPBAGYPDWOT-FQEVSTJZSA-N 356.849 4.890 50 1 FJGF CCCCCCCc1cc2c(=O)n(CCCBr)cnc2s1 653726466 NBWJWBCYMIVOGY-UHFFFAOYSA-N 371.344 4.756 50 1 FJGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccnc(CCl)n1 587939334 DKYIKUIVPRLWNN-QLFBSQMISA-N 363.889 4.551 50 1 FJGF C/C=C/[C@@H](C/C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OO)OO 102183012 UITLMMCUHHCJIE-PNJBLINHSA-N 356.459 4.685 50 1 FJGF CCCCC[C@H](C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O)OO 2356347906 QXCRWNZYEVOQMB-UJWQCDCRSA-N 370.486 4.741 50 1 FJGF C=C[C@@]1(C)[C@@H](C#N)C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@@H]2C[C@H]1Cl 2356633337 URIXGBACTIPRIZ-KDMSSLPHSA-N 352.865 4.643 50 1 FJGF N#C/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccc(N)cc1 13609248 ISPWDIPEJBTYKY-YHYXMXQVSA-N 372.211 4.819 50 1 FJGF Cc1cccc(N2C(=O)[C@H](Cl)[C@H]2c2cc3ccccc3nc2Cl)c1 103176487 SOIVMOXXIBUJLJ-IAGOWNOFSA-N 357.240 4.892 50 1 FJGF Cc1cc2c(cc1C)C(Cl)=C(/C=N/NC(=O)c1ccccc1N)CCC2 299824090 KOZFWUWJARUJLD-WYMPLXKRSA-N 367.880 4.588 50 1 FJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CCCC1 587544897 PMDIWEUTVIQBLR-PXNSSMCTSA-N 358.821 4.522 50 1 FJGF Cc1cc(=O)oc2cc(OCc3ccc(CBr)cc3)ccc12 66166835 QBGIPCUNEACMAV-UHFFFAOYSA-N 359.219 4.575 50 1 FJGF Clc1cc(Br)c2[nH]c(CCCCBr)nc2c1 586972211 JYAXLJSBNJNJKW-UHFFFAOYSA-N 366.484 4.696 50 1 FJGF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(C#N)=CO2 587504701 KTCVLQWHNHVZHG-HSZRJFAPSA-N 357.409 4.534 50 1 FJGF CC(C)(F)[C@H](Br)c1nc2cc(F)cc(Br)c2[nH]1 587086469 ACVOVTIBWFUQKV-SECBINFHSA-N 368.019 4.649 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(F)c(C)c1)CC2=O 587466624 MQWYBOMUSCPCKV-FQEVSTJZSA-N 362.828 4.892 50 1 FJGF OCC1=CC=C(COc2cc(C(F)(F)F)ccc2Cl)SS1 26577472 KCWPPBDGSAMCQF-UHFFFAOYSA-N 354.802 4.893 50 1 FJGF CO[C@@]1(c2ccc(OC(F)(F)F)cc2)C=CC2(CCCCCC2)OO1 38158542 LHRQLDHDFRVVRV-KRWDZBQOSA-N 358.356 4.995 50 1 FJGF CCCCCCCCC1=NC(=S)N=C1CCCCCCCC(=O)NN 66166126 YJDSBEUXIRXZCY-UHFFFAOYSA-N 366.575 4.638 50 1 FJGF COc1cc2c3c(c1)O[C@](CCl)(c1csc4ccccc14)[C@@H](C2)C3=O 587454044 ULNCPXRTSIUXAY-XOBRGWDASA-N 370.857 4.792 50 1 FJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CCCCl)N1 587686117 SPIUOINRYRVVCB-YMTOWFKASA-N 369.105 4.576 50 1 FJGF CC=CCCCCCCCCC[C@]1(OC)C=C[C@H](CC(=O)OC)OO1 2356386501 KSKGQTBFDMXQNE-UYAOXDASSA-N 354.487 4.866 50 1 FJGF Cc1cccc(N2C(=O)[C@@H](Cl)[C@H]2c2cc3ccccc3nc2S)c1 103189182 NXZHYXHOYXKVHQ-DLBZAZTESA-N 354.862 4.527 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 587188745 WEHGPQMXVYZJCC-MKMNVTDBSA-N 352.319 4.826 50 1 FJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cccc(C(F)(F)F)c1)O2 587381730 KLVNAQCEERJLJB-KRWDZBQOSA-N 369.770 4.696 50 1 FJGF CC[C@@H]1OC(=O)CCCC=CCC=CCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@H]12 2356633416 XSVVTBMSEOBKQC-VKESLTNKSA-N 352.902 4.545 50 1 FJGF C[C@@H](C(=O)c1ccc(N=C=S)cc1)N1CCC(Cc2ccccc2)CC1 29046096 QUYYKWJRBQLYTE-KRWDZBQOSA-N 364.514 4.947 50 1 FJGF C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 36143026 MYJOHEAQVGLUIX-MJEARJAWSA-N 352.453 4.767 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(F)cc(F)c2[nH]1 586974562 XZUABENULGMQRX-SECBINFHSA-N 351.194 4.888 50 1 FJGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587187053 BFNXIFLDWVEBRI-SDQBBNPISA-N 356.198 4.837 50 1 FJGF C=C([C@H](CC)OO)[C@@H]1C(C)=C[C@]2(C)[C@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356792121 JIRQMGICGBYTAW-XQRZMJPBSA-N 374.477 4.560 50 1 FJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](C(=C)C)O1 136937675 VAONNIVTEFSATN-WQAUDIEISA-N 356.510 4.653 50 1 FJGF ClC[C@H](Cl)c1nc2c(Br)ccc(Br)c2[nH]1 587007945 JHRFADWALFNAKX-LURJTMIESA-N 372.875 4.607 50 1 FJGF CCCc1c(O)ccc2c1O[C@](CCCl)(c1cccs1)CC2=O 587494154 JPUMKYCBXBKBAE-SFHVURJKSA-N 350.867 4.896 50 1 FJGF C[C@H]1Cc2cc(Br)c(F)cc2C(CCCl)(CCCl)N1 587682876 DYECRFZPIFMNPB-VIFPVBQESA-N 369.105 4.576 50 1 FJGF BrCCOc1ccccc1-c1cc2c3c(cccc3n1)CC2 587208759 ZBFGVLNEJKIPNE-UHFFFAOYSA-N 354.247 4.774 50 1 FJGF COC(CC(C=O)=CC[C@@H]1[C@]2(CC[C@@H]3C(C)(C)CCC[C@@]13C)CO2)OC 2356618818 JYPIJSGQSCUHBF-OSZJIOELSA-N 364.526 4.522 50 1 FJGF Cc1ccc(/C=C(\C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587188689 VNWVIMRUCTXQEO-IZZDOVSWSA-N 373.641 4.746 50 1 FJGF C=N[C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H](Cl)[C@]1(C)[C@@H]1CO1 2356456084 QZDVELJTPJLQCK-KXDPPZGFSA-N 356.897 4.644 50 1 FJGF C[C@H](Br)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587009189 WGOURALDJLUGGW-BYPYZUCNSA-N 371.982 4.800 50 1 FJGF CC(=O)O[C@H]1CC[C@@]2(CCl)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2356751562 SIBJPHIFXVTUQA-GIADRTNZSA-N 364.913 4.669 50 1 FJGF CC(C)(OO[C@@]1(c2ccccc2)NC(=O)c2ccccc21)c1ccccc1 95568523 HMFZRRUCECUKJO-HSZRJFAPSA-N 359.425 4.515 50 3 FJGF C/C=C/CCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 85666229 KSKGQTBFDMXQNE-LJGXYGFNSA-N 354.487 4.866 50 1 FJGF CC1=CC=C[C@@H]2N=C(SSC3=N[C@@H]4C=CC=C[C@H]4S3)S[C@H]12 299806518 VWFYYOQGNYFXME-YVECIDJPSA-N 350.559 4.690 50 1 FJGF COc1ccc(/C=C/[C@@]23C=C[C@@]4(OO2)C(C)(C)CCC[C@]4(C)O3)cc1OC 299839628 YZXDITLFNCRKOH-KWPRJMQRSA-N 372.461 4.669 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccnc(Cl)c2[nH]1 586974756 ZCCJMZIDSQBYHQ-SECBINFHSA-N 350.647 4.658 50 1 FJGF O=C(Oc1cccc2ccccc12)c1cc2cc(CCl)ccc2oc1=O 13676404 YSAQYSLDUJGIPF-UHFFFAOYSA-N 364.784 4.904 50 1 FJGF CC1(C)C[C@H](Cl)CN(CCCCCN2C[C@H](Cl)CC(C)(C)C2)C1 299858530 DRKCEWHIFWNTET-CALCHBBNSA-N 363.417 4.835 50 1 FJGF CCCCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)OO 263614154 AZHSPOPOMNJPFD-XUSBQHJMSA-N 352.471 4.656 50 1 FJGF in-vitro C[C@H](c1ccc(CBr)cc1)c1nc2cncc(Cl)c2[nH]1 586973385 JKFILXCMVAPPIK-SECBINFHSA-N 350.647 4.658 50 1 FJGF Cc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2cc3ccccc3nc2S)cc1 103189198 PAOITCVSMNJAQZ-SJORKVTESA-N 354.862 4.527 50 1 FJGF O=C1C[C@@](CBr)(C2CCCC2)Oc2c1ccc1c2CCCC1 587498594 INGIPQRSABQEGW-LJQANCHMSA-N 363.295 4.855 50 1 FJGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(C)cc3)(C(F)(F)F)C2)cc1 1772613891 GPDLFGWFXCTNMX-HXUWFJFHSA-N 370.374 4.558 50 1 FJGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)ccnc2[nH]1 586973276 HELKLEHITUPDMK-SECBINFHSA-N 350.647 4.658 50 1 FJGF COc1ccccc1[C@]1(CCCCCl)NCCc2ccc(F)c(C)c21 962144437 KYHDKIWSSRLFOI-NRFANRHFSA-N 361.888 4.941 50 1 FJGF CC[C@H](/C=C/C=C\C[C@@H](/C=C/CCCCCCC(=O)OC)OO)OO 102183000 VSFQDXUQTUGXLX-AVOJFPBDSA-N 356.459 4.685 50 1 FJGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2C=C1C(O)=CC(=O)[C@H]1Cl 2356621237 SQHLFXFQWCHRBG-VROUVPMXSA-N 352.902 4.538 50 1 FJGF O=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1 95594424 POZWXIVIAWFJOK-UHFFFAOYSA-N 370.392 4.580 50 1 FJGF COC(=O)C[C@@H]1OO[C@@](C)(CC(C)=CC=CCc2ccccc2)C[C@H]1C 2356500429 UCBLCZYWNMERCT-CBQOVEMMSA-N 358.478 4.800 50 1 FJGF COC(CC(C=O)=CC[C@@H]1[C@]2(CC[C@H]3C(C)(C)CCC[C@]31C)CO2)OC 2356618816 JYPIJSGQSCUHBF-HXHBTQRASA-N 364.526 4.522 50 1 FJGF FC(F)(F)Oc1cc2nc(CCCCBr)[nH]c2cc1Cl 586972147 IFUKSYNWLCCOHI-UHFFFAOYSA-N 371.584 4.833 50 1 FJGF O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2[nH]1 1911582932 NCYOUYLIUPEHGF-DNTJNYDQSA-N 366.635 4.892 50 1 FJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](C)Cl)CC2=O 587460577 UPPYVSRDKNSSMA-YEJXKQKISA-N 374.864 4.841 50 1 FJGF ClCCCSc1nnc(COc2ccc(Cl)cc2Cl)o1 73386613 MTIUGXNPYLBSFJ-UHFFFAOYSA-N 353.658 4.676 50 1 FJGF O=C(Nc1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1 49746559 RUZLWGNXOCCORA-UHFFFAOYSA-N 371.695 4.876 50 1 FJGF CCCCC[C@H](C=C[C@@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2)OO 2356459603 SGUKUZOVHSFKPH-RHQZKXFESA-N 368.470 4.517 50 1 FJGF Cc1occc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 5921638 DTGOPCDEOSAFEV-AWQFTUOYSA-N 363.200 4.919 50 1 FJGF C/C(=N\NC(=O)c1cccc(/N=N/[C@@H](C)c2ccco2)c1)c1ccco1 169688589 QSRPCFCMKJTJMU-WDYIKKPJSA-N 350.378 4.872 50 1 FJGF CC1(C)CCC[C@]2(C)[C@@H]3C=C4C(=CC(=O)C(=O)[C@@H]4Cl)O[C@@H]3CC[C@@]12C 169721589 OYLYUBNDJBABFP-MLBARHSWSA-N 362.897 4.587 50 1 FJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCl)cc1)CC2=O 587462262 WXAQDJMFPAGGPE-IBGZPJMESA-N 360.837 4.669 50 1 FJGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(Cl)c(F)c1 1857544427 DTMOVDKRYMJNHN-GOSISDBHSA-N 350.780 4.850 50 1 FJGF CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 103293401 VMVFRSFCWUVWNY-BWAGFHJFSA-N 369.892 4.781 50 1 FJGF Nc1ncc(Cl)nc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587086335 GEUHFIUVFDHRMJ-UHFFFAOYSA-N 371.722 4.913 50 1 FJGF S=C=Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 653826066 FPJNUSTYUBHFBH-UHFFFAOYSA-N 357.236 4.870 50 1 FJGF COc1ccc(Cl)cc1C#Cc1cc2c(cc1CCl)OCCCO2 587907369 KPHOFNGFWGVSHN-UHFFFAOYSA-N 363.240 4.649 50 1 FJGF C=C(CC[C@@H](O)c1ccccc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 14176246 MKOUBZJMSGWTPI-BPDBVFAESA-N 370.489 4.556 50 1 FJGF CO[C@H]1O[C@]2(c3ccc(C(F)(F)F)cc3)CC[C@H]3CCCC[C@]13OO2 38153506 YVIOVDGWBXSESO-VJUNAUMWSA-N 358.356 4.532 50 1 FJGF N#CC(=C1C=C(Br)C(=NO)C=C1Cl)c1ccc(Cl)cc1 1857623039 ZLUIJLPDZFBGBE-UHFFFAOYSA-N 370.033 4.862 50 1 FJGF