smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)C[C@@](C)(OCC23CC4CC(CC(C4)C2)C3)OO1 95574048 GEKQWIRZGCPIEX-AIWVUANBSA-N 280.408 4.066 50 1 CIGF CC1=C(C#N)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 19760979 VQDBGJLACRHULV-MRXNPFEDSA-N 293.370 4.049 50 1 CIGF Cc1ccc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)cc1 103288131 MHQOIEWKBNOIDG-VSGCLNPGSA-N 293.838 4.163 50 1 CIGF Cc1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cc1F 587189051 XXGLDUFRTUVSJF-JYRVWZFOSA-N 277.302 4.075 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@H]([C@@H](Br)CC)O1 2356670100 ZVDYTGRFTGJTLL-QLFBSQMISA-N 295.220 4.009 50 1 CIGF O=C(CCCCCCl)c1coc2cc([N+](=O)[O-])ccc12 587279824 CFRNRYFKJZYNHH-UHFFFAOYSA-N 295.722 4.323 50 1 CIGF CC1=C(C#N)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 104072784 OOSJSEWBNNPHED-MRXNPFEDSA-N 264.328 4.018 50 1 CIGF CCCCCc1cccc(NC(=O)NCCCCl)c1 53298101 SBWIHVPEBQHARC-UHFFFAOYSA-N 282.815 4.170 50 1 CIGF C=C(C=O)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@@H]21 2356736000 XXWGUVZXPHHONT-AXUOBQJMSA-N 288.431 4.500 50 1 CIGF CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(N=C=S)cc13 13651056 BNMGAKYFGHEJFA-NJAFHUGGSA-N 298.455 4.109 50 1 CIGF CCCC(CCC)C(=O)N(C)/N=N/c1ccc(C#N)cc1 1857601529 JNGUCWXPDSIYDZ-VHEBQXMUSA-N 286.379 4.232 50 1 CIGF CC[C@H](C)c1ccc2[nH]c(CCl)c(C(=O)OC)c2c1 587639177 OLORQFYHSWJCJU-VIFPVBQESA-N 279.767 4.207 50 1 CIGF N#C/C(=C\c1cncc2cnccc12)c1c[nH]c2ccccc12 1857656775 LZNIFPGWABSPSO-NTUHNPAUSA-N 296.333 4.175 50 1 CIGF C=C1C(C)=C(C#N)C(=O)N1c1ccc(Cl)c2ccccc12 35964277 SDKMBMNVSCRBID-UHFFFAOYSA-N 294.741 4.194 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccc(C)c(N=C=O)c1 587903682 MNTUPADFPSLWJW-UHFFFAOYSA-N 297.741 4.024 50 1 CIGF C[C@H]1CC2(CC[C@H]1C)OOC1(CC[C@@H](C)[C@H](C)C1)OO2 58596991 OGYDLVVSZHHAIO-MSIGHWPWSA-N 284.396 4.201 50 1 CIGF CC1=C[C@@H]2OC(=CC=O)[C@@H](C)[C@@H]2CCC(C)=CCC1 2356416304 PKSXHCDSAQSRBC-ZOBUZTSGSA-N 260.377 4.187 50 1 CIGF CC(C)OP(=O)(CCCCCN=C=S)OC(C)C 1772615961 HSJSCYKBLQQYBY-UHFFFAOYSA-N 293.369 4.303 50 1 CIGF Cn1cccc1-c1nc2cc(N=C=S)cc(Cl)c2o1 28019329 BPXSKYUTVYQOLX-UHFFFAOYSA-N 289.747 4.221 50 1 CIGF Fc1ccc(-c2noc(-c3ccc(N=C=S)cc3)n2)cc1 28236953 WTYGLEGUSXDHFD-UHFFFAOYSA-N 297.314 4.277 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=O)cc1C 587899492 BMSYBNSVXIYIRF-UHFFFAOYSA-N 297.741 4.024 50 1 CIGF C[C@@]1(OCCc2ccccc2)CC2(CCCCC2)OO1 95572684 MKIGJQRLOMFVHX-INIZCTEOSA-N 276.376 4.017 50 1 CIGF CCc1[nH]c2ccc([C@H](C)CC)cc2c1NC(=O)CCl 587638936 KFKMHRUHBUVTFS-SNVBAGLBSA-N 292.810 4.421 50 1 CIGF CCC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497148 HHXBUNTXSIEXPD-KRWDZBQOSA-N 292.806 4.308 50 1 CIGF CCCCC[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356795689 MJEHAEMJSSYWDC-IJEWVQPXSA-N 286.412 4.025 50 1 CIGF N#C/C(=C\c1ccc(Cl)cc1)c1ccccc1C#N 95586907 HAPLHABWOLKWQC-NTEUORMPSA-N 264.715 4.276 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@H](Br)[C@H](CC)O1 2356425371 KQEYHIDELOKBAL-ILXRZTDVSA-N 295.220 4.009 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC/C2=C/C#N 224932379 YZJXWZHAHLUZLG-FWWVCZNFSA-N 299.458 4.450 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=S)cc1 587919263 WSHOKNPTESFVKI-UHFFFAOYSA-N 299.782 4.483 50 1 CIGF COc1cc(OC)cc(/C(C#N)=C/c2ccc(Cl)cc2)c1 1772608580 KFHZCNFDHQDNOJ-VGOFMYFVSA-N 299.757 4.421 50 1 CIGF C#CC=CC[C@H](OC(C)=O)[C@H](Cl)CC=CCC=CCC 2356521861 OIYRZXJDSDRVQP-SJORKVTESA-N 294.822 4.408 50 1 CIGF N[C@H](CCl)c1nc2c3ccccc3c3ccccc3c2[nH]1 587011849 UOBDTBSVVTUYMB-CQSZACIVSA-N 295.773 4.108 50 1 CIGF CCCCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1 653837665 MJEHAEMJSSYWDC-OFQRWUPVSA-N 286.412 4.025 50 1 CIGF C/C=C/c1cc(-c2cc(/C=C/C=O)ccc2O)ccc1O 70454675 PAQFTBSWZQAWQV-ZUVMSYQZSA-N 280.323 4.010 50 1 CIGF biogenic,in-vitro CC(C)=CC/C=C(/C)[C@@H]1CC=C(C=O)[C@@H]1[C@@H]1C(=O)C=C[C@H]1C 155148823 KBIFEWXOEUXJBY-MQPGBJCNSA-N 298.426 4.442 50 1 CIGF O=C(Cl)c1ccc(C(=O)c2coc3ccccc23)cc1 587280373 CALSTPMPHMBAGR-UHFFFAOYSA-N 284.698 4.043 50 1 CIGF C=C1[C@H](O)C[C@@H](Br)C(C)(C)[C@]12CC=C(C)CC2 2356797247 NRWRUUSXBXVUDU-NFAWXSAZSA-N 299.252 4.214 50 1 CIGF C[C@@H](Br)CCCCCCCCCC(=O)O 33822348 YHYSFJBAAMODHY-LLVKDONJSA-N 279.218 4.365 50 1 CIGF O=C1[C@@H](Cl)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 96939296 ODIYXHVCKIEWSA-KBPBESRZSA-N 292.165 4.035 50 1 CIGF CCOc1c(CCl)[nH]c2cc(Cl)c(F)cc12 587628088 HYSWQLKZOSOWRY-UHFFFAOYSA-N 262.111 4.098 50 1 CIGF Cc1ccccc1-c1cccc(NC(=O)C(Cl)Cl)c1 95561797 VWYIKTCDKULEFX-UHFFFAOYSA-N 294.181 4.404 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)CO 2356531953 OPTVCEJJRRFTRJ-SCTDSRPQSA-N 290.447 4.293 50 1 CIGF C[C@H]1CC2(CC[C@H]1C)OOC1(CC[C@@H](C)[C@@H](C)C1)OO2 169371117 OGYDLVVSZHHAIO-FVAZMBRWSA-N 284.396 4.201 50 1 CIGF [C-]#[N+]CCc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906289 YFFGCYWMVHZYEV-UHFFFAOYSA-N 295.769 4.210 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587188516 RXEYCANSGILLDK-POHAHGRESA-N 299.255 4.044 50 1 CIGF C#C/C=C\C[C@H](OC(C)=O)[C@@H](Cl)C/C=C\C/C=C\CC 85599993 OIYRZXJDSDRVQP-VRFREBDJSA-N 294.822 4.408 50 1 CIGF BrC1[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 306120528 FASIAEKQCGNYRR-HUUCEWRRSA-N 289.172 4.263 50 1 CIGF COOC1(OOC)CCCCCCCCCCC1 38158817 BWTFMCVEAMKISX-UHFFFAOYSA-N 260.374 4.143 50 1 CIGF C[C@H]1[C@H](C)CCCC12OOC1(CCC[C@@H](C)[C@H]1C)OO2 169332611 QXZXNDWDTSFLEL-MSIGHWPWSA-N 284.396 4.201 50 1 CIGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@](C)(N=C=S)[C@@H]2CC1=O 2356644644 ODUZQPVIXXXOEL-NHIYQJMISA-N 277.433 4.065 50 1 CIGF C[C@H]1CCCC2(OOC3(CCC[C@@H](C)[C@@H]3C)OO2)[C@H]1C 38155650 QXZXNDWDTSFLEL-NSXQWPTKSA-N 284.396 4.201 50 1 CIGF CCO[C@@H]1CCC(C)=CCCC(C=O)=C[C@@H]2C[C@@]21C 2356413822 BBHMZQWNAKKPBE-ZACQAIPSSA-N 262.393 4.063 50 1 CIGF CCC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497150 HHXBUNTXSIEXPD-QGZVFWFLSA-N 292.806 4.308 50 1 CIGF N#CSCCCOc1ccc(Oc2ccccc2)cc1 29335065 SJEWXDVXCJGANO-UHFFFAOYSA-N 285.368 4.462 50 1 CIGF CCOC(=O)c1c(CCl)[nH]c2c(C)cc(Cl)cc12 587623785 PJOVBARMJCFTBA-UHFFFAOYSA-N 286.158 4.045 50 1 CIGF O=C(O)c1cccc2c(CCl)c(-c3ccccc3)[nH]c12 587638863 RNZQHIBKHHPGRB-UHFFFAOYSA-N 285.730 4.272 50 1 CIGF CCCc1c(O)ccc2c1O[C@@](C)(CCCCl)CC2=O 587460022 KRXVZDOHTDDYGM-INIZCTEOSA-N 296.794 4.088 50 1 CIGF CCOCn1cccc1/C=C(\C#N)c1ccc(Cl)cc1 40587767 JELYEQUFEANMKR-GXDHUFHOSA-N 286.762 4.200 50 1 CIGF S=C=Nc1ccc2nc(-c3ccccn3)sc2c1 28093065 ZYKNUVOZBRMWKM-UHFFFAOYSA-N 269.354 4.093 50 1 CIGF CCCCCCc1ccc(NC(=O)NCCCl)cc1 13558398 JOFBGRJDIVWGIW-UHFFFAOYSA-N 282.815 4.170 50 1 CIGF C#CC=CC[C@@H](Cl)[C@H](CC=CCC=CCC)OC(C)=O 2356605327 BGGIZUWYKLVLGO-SJORKVTESA-N 294.822 4.408 50 1 CIGF Cc1cc(C)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587186954 BJGXWCRDYLBMQE-XNTDXEJSSA-N 273.339 4.244 50 1 CIGF Cc1csc(SSc2ccccc2[N+](=O)[O-])n1 1857637003 HLELKQTUAOTEIC-UHFFFAOYSA-N 284.387 4.159 50 1 CIGF C#CC=CC[C@@H](O)[C@@H](Cl)CC=CCCCCC 2356622176 AOXCWBBZUQCCEG-LSDHHAIUSA-N 254.801 4.061 50 1 CIGF C[C@H](CCC(=O)Cl)CC(=O)c1coc2ccccc12 587280568 JUGQEVSUAGHNGA-SNVBAGLBSA-N 278.735 4.187 50 1 CIGF N#Cc1ccc2c(C(=O)c3ccc(CCl)cc3)coc2c1 587278535 PVPBDDFEQDNDCC-UHFFFAOYSA-N 295.725 4.274 50 1 CIGF CSc1ccc2nc(CCCCBr)[nH]c2c1 586972472 SSLGKYUNXQLKFK-UHFFFAOYSA-N 299.237 4.002 50 1 CIGF CC1(c2ccc(NC(=O)NCCCl)cc2)CCCCC1 40915667 WRBGTPPPNUCFIE-UHFFFAOYSA-N 294.826 4.269 50 1 CIGF CC[C@]1(CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499948 WTQJRMKGPAJANE-KRWDZBQOSA-N 292.806 4.308 50 1 CIGF C=C1C[C@](C)(Cl)[C@@H](Br)C[C@H]1C=CCl 2356480758 PHJVUZPRYAGZPD-UTLUCORTSA-N 284.024 4.466 50 1 CIGF Fc1ccc2c(CCCl)c(CCCCl)[nH]c2c1 587632682 HIKQJFRVOBZZKX-UHFFFAOYSA-N 274.166 4.260 50 1 CIGF C#CC=CC[C@@H](OC)[C@H](Cl)CC=CCC=CCC 2356752808 SXDPOPPCSZAMMI-HZPDHXFCSA-N 266.812 4.491 50 1 CIGF CC(C)N(SSN(C(C)C)C(C)C)C(C)C 1756754 QQNBEFPPTZBSMW-UHFFFAOYSA-N 264.504 4.435 50 1 CIGF CC[C@@H](CCl)NC(=O)Nc1ccc(C(C)(C)C)cc1 27557890 GRCFWNDTKTXPDV-LBPRGKRZSA-N 282.815 4.123 50 1 CIGF C=C1C(C)=C(C#N)C(=O)N1c1c(C)cc(Cl)cc1Cl 64491721 GIYZDRAWFHAXLB-UHFFFAOYSA-N 293.153 4.002 50 1 CIGF Cc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587086472 ADYAZJVMBZKPMR-SNVBAGLBSA-N 285.160 4.055 50 1 CIGF C=C1[C@H](O)C[C@@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 2356797248 NRWRUUSXBXVUDU-UMVBOHGHSA-N 299.252 4.214 50 1 CIGF CC1(C)Oc2c(cccc2-c2ccccc2)C=C1C=O 40894761 NUFISYBFIBOVBL-UHFFFAOYSA-N 264.324 4.107 50 1 CIGF CC1=CC[C@H](C)[C@@]2(C)O[C@@]3(C)CC[C@@]12C[C@H]3Br 2356392917 SYYFCPWJJJHNKJ-XFZHLKPQSA-N 299.252 4.454 50 1 CIGF C#C/C=C\C[C@@H](OC(C)=O)[C@H](Cl)C/C=C\C/C=C\CC 85599991 OIYRZXJDSDRVQP-YKSKLDQVSA-N 294.822 4.408 50 1 CIGF CSC1=C(C#N)[C@@H](CC(C)C)C2=C(O)CCCC2=N1 102447776 JRXWKKBSOUBHNE-SNVBAGLBSA-N 276.405 4.197 50 1 CIGF CCC[C@H](CC)C[C@]1(C)C=C(CC)[C@H](CC(=O)OC)OO1 2356801276 RLEKSPFSMNQBCP-JLJPHGGASA-N 298.423 4.191 50 1 CIGF C[C@@H](Oc1cccc(/C=C/C=O)c1)c1ccccc1 29482367 AQCFVEFOZQQPPY-IZPAUZPXSA-N 252.313 4.039 50 1 CIGF C#CC=CC[C@@H]1OC(CCC)=CC=CC[C@H]1Cl 2356428381 JTLGNRGWXKSSOM-CABCVRRESA-N 250.769 4.202 50 1 CIGF C=CC=CC[C@@H]1O[C@](C)([C@H](C)Br)CC[C@@H]1C 2356497811 ZVQZUFIAWREUOG-XUXIUFHCSA-N 287.241 4.476 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)C=O 2356708898 HFTMAWAUKKDXCR-SCTDSRPQSA-N 288.431 4.500 50 1 CIGF CN1CC[C@@]23CCCC[C@@H]2[C@H]1Cc1ccc(N=C=S)cc13 164492667 BNMGAKYFGHEJFA-NXHRZFHOSA-N 298.455 4.109 50 1 CIGF CC(C)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497174 HKEBCJKKCMGVLM-KRWDZBQOSA-N 292.806 4.164 50 1 CIGF COc1ccc(-n2cc(SC#N)c3ccccc32)cc1 653893477 WDQCUIMTOAPIDK-UHFFFAOYSA-N 280.352 4.212 50 1 CIGF O=C1C[C@@]2(CCC[C@H]2Cl)Oc2c1ccc1c2CCCC1 587503081 WPGWHXFHDHTNOW-NVXWUHKLSA-N 290.790 4.061 50 1 CIGF CCc1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 587188256 QHJHAIFUAZWYQE-MHWRWJLKSA-N 287.366 4.498 50 1 CIGF CCN(CC)C(=S)SSc1ccccc1 1857757206 JAAVBTJKIDQEPN-UHFFFAOYSA-N 257.449 4.054 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC/C2=C\C#N 221235055 YZJXWZHAHLUZLG-VABZVRCCSA-N 299.458 4.450 50 1 CIGF CC=Cc1cc(-c2cc(C=CC=O)ccc2O)ccc1O 2356538026 PAQFTBSWZQAWQV-UHFFFAOYSA-N 280.323 4.010 50 1 CIGF C[C@@H]1CC[C@](C)([C@@H](C)Br)O[C@@H]1CC=CCl 2356766623 RPUPJNLDKRSQRY-DDHJBXDOSA-N 295.648 4.486 50 1 CIGF C#CC=CC[C@H]1OC(CCC)=CC=CC[C@H]1Cl 2356428383 JTLGNRGWXKSSOM-HUUCEWRRSA-N 250.769 4.202 50 1 CIGF C#CC=CC[C@H](Cl)[C@H](CC=CCC=CCC)OC(C)=O 2356605326 BGGIZUWYKLVLGO-IRXDYDNUSA-N 294.822 4.408 50 1 CIGF CCC=C[C@H](CC)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)O)OO1 2356700170 ZCLJFHUIADAYRQ-QBYUYEEZSA-N 298.423 4.349 50 1 CIGF O=C1C[C@]2(CCC[C@H]2Cl)Oc2c1ccc1c2CCCC1 587503087 WPGWHXFHDHTNOW-WBVHZDCISA-N 290.790 4.061 50 1 CIGF CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@H]1CC(C)C 20149664 OBFUYCUGGCWHAH-XGOYLDHDSA-N 294.420 4.027 50 1 CIGF CCC(=O)n1cccc1/C=C(\C#N)c1ccc(Cl)cc1 35804333 MPSSJSGRJBTZPW-JLHYYAGUSA-N 284.746 4.256 50 1 CIGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 13379273 APALGGYWOOAWLG-KCQAQPDRSA-N 299.252 4.214 50 1 CIGF BrCc1nc2cccc3c2c(c1C1CC1)CC3 587208088 LDZQJTNHOUQZAJ-UHFFFAOYSA-N 288.188 4.106 50 1 CIGF Oc1ccc(-c2[nH]c3cccc(F)c3c2CCCl)cc1 587632387 AUOAPYYUKNYNMY-UHFFFAOYSA-N 289.737 4.461 50 1 CIGF CC#Cc1ccc(-c2ccc(C(=O)CCl)s2)s1 59589041 DBUXPPGCYKOVTQ-UHFFFAOYSA-N 280.801 4.270 50 1 CIGF biogenic,in-vitro CC[C@@H]1C[C@](C=CCC(C)C)(CC)OO[C@H]1CC(=O)OC 2356430850 SCTUFRCXFQMBTG-HLLBOEOZSA-N 298.423 4.047 50 1 CIGF N[C@H]1C[C@]1(F)c1cccc(S(F)(F)(F)(F)F)c1 1772604005 WJYCFPMERRQQSG-IUCAKERBSA-N 277.233 4.240 50 1 CIGF C[C@H](Br)CCCCCCCCCC(=O)O 33822347 YHYSFJBAAMODHY-NSHDSACASA-N 279.218 4.365 50 1 CIGF CC(C)(CCl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500134 YNZRFMAURNYYLS-HNNXBMFYSA-N 292.806 4.164 50 1 CIGF CCCc1c(O)ccc2c1O[C@@H](CCCCCl)CC2=O 587462385 YUSKFFJZAOKXDA-NSHDSACASA-N 296.794 4.088 50 1 CIGF C=C1CC=CC(C)(C)[C@H]1C/C=C(\C)[C@H](O)CBr 33940286 PSLQVGUCVAPCDK-NAICIEFVSA-N 299.252 4.237 50 1 CIGF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C(C)C=O 2356549211 VIBIHOWJZCXZNF-MTNOOBJLSA-N 290.447 4.291 50 1 CIGF CCc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1 49881456 FLLUJNPTSSZDJD-UHFFFAOYSA-N 286.327 4.165 50 1 CIGF O=C(CCCCCCl)c1coc2ccccc12 587281110 WBSQPWPZMPFUHA-UHFFFAOYSA-N 250.725 4.415 50 1 CIGF CC[C@H](C)c1ccc2[nH]c(CCl)c(CC(=O)OC)c2c1 587639130 NVLQVISYTCAWGD-JTQLQIEISA-N 293.794 4.136 50 1 CIGF C=CCc1ccc(Oc2ccc(C=CC=O)cc2)c(O)c1 2356742052 OEMPNLUEIYKHQQ-UHFFFAOYSA-N 280.323 4.125 50 1 CIGF Cc1nc(SSc2ccc3ccccc3c2)n[nH]1 103213049 GNWVOBZXCYGAIZ-UHFFFAOYSA-N 273.386 4.066 50 1 CIGF N#C/C(=C1/Nc2ccccc2S1)c1cccc(Cl)n1 13647675 WWGGKARRCRSAKY-NTEUORMPSA-N 285.759 4.145 50 1 CIGF O=C/C=C/c1ccccc1OCc1cccc(Cl)c1 40564273 BNPLKOGFEZEZIE-QPJJXVBHSA-N 272.731 4.131 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3cc(F)cc(F)c3[nH]2)cc1 587187350 FIETUEMSIIDLHH-SDQBBNPISA-N 295.292 4.214 50 1 CIGF C#C/C=C\C[C@@H](Cl)[C@H](C/C=C\C/C=C/CC)OC(C)=O 59151559 BGGIZUWYKLVLGO-GTMBHDOHSA-N 294.822 4.408 50 1 CIGF CCOC(=O)c1[nH]c2cccc(F)c2c1CCCCCl 587633275 XLFCOLIECXWVFJ-UHFFFAOYSA-N 297.757 4.045 50 1 CIGF CCCC[C@@]1(C)C[C@](C)(OCCc2ccccc2)OO1 95577028 DLVXBBXGLMUYIT-DLBZAZTESA-N 278.392 4.263 50 1 CIGF C=C(c1ccccc1)[C@@H]1CCOC2(CCCCC2)OO1 43620395 UTAGZIXEUBRYKH-INIZCTEOSA-N 274.360 4.097 50 1 CIGF CC(=C(C#N)C#N)c1ccc2cc(N(C)CCF)ccc2c1 5832738 IAVCEBMLYVGBLA-UHFFFAOYSA-N 293.345 4.066 50 1 CIGF CCO[C@@H]1CCC(C)=CCCC(C=O)=C[C@H]2C[C@]21C 2356413819 BBHMZQWNAKKPBE-GVDBMIGSSA-N 262.393 4.063 50 1 CIGF C[C@H]1CCC2(OOC3(CC[C@@H](C)C[C@H]3C)OO2)[C@H](C)C1 299812281 OXRKVZOFEOJFMN-ABSAPSEKSA-N 284.396 4.201 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@@H](Br)[C@H](CC)O1 2356425372 KQEYHIDELOKBAL-KFWWJZLASA-N 295.220 4.009 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3cccc(F)c3[nH]2)cc1 587188381 QYRNZTLMXCMVFT-LCYFTJDESA-N 277.302 4.075 50 1 CIGF O=C(Cl)c1ccccc1C(=O)c1coc2ccccc12 587280638 ONJNRMKMEOHECH-UHFFFAOYSA-N 284.698 4.043 50 1 CIGF C[C@H](Br)c1nc2cccc(C(C)(C)C)c2[nH]1 587008163 ISKYVFFUQSEFQV-QMMMGPOBSA-N 281.197 4.316 50 1 CIGF C[C@H](Br)c1nc2cccc(C(F)(F)F)c2[nH]1 587009217 XOKOABXNQMYDSS-YFKPBYRVSA-N 293.086 4.038 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=C(C=O)CO 2356531949 OPTVCEJJRRFTRJ-LMMKCTJWSA-N 290.447 4.293 50 1 CIGF C=C1CCCC(C)(C)[C@H]1CC=C(C=O)C=C(C)OC(C)=O 2356741409 JLVLVOITZSLHPU-KRWDZBQOSA-N 290.403 4.351 50 1 CIGF Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCl 1772646167 PJZWOKQWQOELMY-UHFFFAOYSA-N 299.801 4.400 50 1 CIGF C#CC=CC[C@@H]1CCCC=C[C@@H](Br)[C@H](CC)O1 2356538694 NDQADFJKKHDIGT-KFWWJZLASA-N 297.236 4.233 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@H]([C@H](Br)CC)O1 2356670101 ZVDYTGRFTGJTLL-RBSFLKMASA-N 295.220 4.009 50 1 CIGF CSC1=C(C#N)[C@H](CC(C)C)C2=C(O)CCCC2=N1 102447781 JRXWKKBSOUBHNE-JTQLQIEISA-N 276.405 4.197 50 1 CIGF CC(C)/C=C/[C@@H]1O[C@@]1(C)[C@H]1CC[C@](C)(N=C=S)CC1 238740326 KDUAXUPCJBAPHQ-YAELTDKSSA-N 279.449 4.408 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3ccc(F)c(C)c3[nH]2)cc1 587187004 AKXJBIGXGYUFET-ZROIWOOFSA-N 291.329 4.383 50 1 CIGF Cc1c(F)ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587187707 JXXNRYQKWMKQAN-UKTHLTGXSA-N 277.302 4.075 50 1 CIGF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1C(Cl)Cl 963228177 KXTSCDQPKGHUEJ-GXFFZTMASA-N 272.219 4.188 50 1 CIGF CC1(C)C[C@H](c2ccc(CO)cc2)CC[C@@H]1Br 14585344 QXMMKIPNKJNGPB-KGLIPLIRSA-N 297.236 4.236 50 1 CIGF Cc1[nH]c2cc(Cl)c(F)cc2c1CCCCl 587627788 AUHRJKNWFSXWBW-UHFFFAOYSA-N 260.139 4.440 50 1 CIGF S=C=Nc1ccc(-c2nc(-c3cccs3)no2)cc1 28242494 OFRCSWGCWRBKSU-UHFFFAOYSA-N 285.353 4.199 50 1 CIGF C[C@H](Br)[C@@]1(C)CC[C@@H](C)[C@H](CC=CCl)O1 2356766624 RPUPJNLDKRSQRY-NOOOWODRSA-N 295.648 4.486 50 1 CIGF O=C(c1ccc(-c2ccc(O)cc2)cc1)C(Cl)Cl 1857771972 WFYSSVTXBUWCMB-UHFFFAOYSA-N 281.138 4.046 50 1 CIGF C=C1CC[C@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 2356805209 ZPXZRBRFEQGHLR-AEGPPILISA-N 299.252 4.214 50 1 CIGF S=C=Nc1ccc2nc(-c3cccs3)oc2c1 28012901 UOACKPRNMXWDBR-UHFFFAOYSA-N 258.327 4.291 50 1 CIGF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(CCl)c12 587645076 UNDPQABTBUCJOQ-UHFFFAOYSA-N 286.718 4.482 50 1 CIGF S=C=Nc1ccc(-c2noc(-c3ccccc3)n2)cc1 28242440 ILQWWYUXTCSFHE-UHFFFAOYSA-N 279.324 4.138 50 1 CIGF CC[C@H]1C[C@@](/C=C/CC(C)C)(CC)OO[C@H]1CC(=O)OC 137139274 SCTUFRCXFQMBTG-XHULPDOYSA-N 298.423 4.047 50 1 CIGF ClC[C@@H](Cl)c1nc2cc3ccccc3cc2[nH]1 587007093 BFFFVABVWOMUOA-SNVBAGLBSA-N 265.143 4.235 50 1 CIGF C=C1CC[C@H](Br)C(C)(C)[C@@]12C=C[C@@](C)(O)CC2 2356805213 ZPXZRBRFEQGHLR-NWANDNLSSA-N 299.252 4.214 50 1 CIGF CCO/C(O)=C1/C(C)=NC(SC)=C(C#N)[C@@H]1CC(C)C 20149663 OBFUYCUGGCWHAH-YLCNQMKUSA-N 294.420 4.027 50 1 CIGF CC[C@@H](CCl)NC(=O)Nc1ccc([C@H](C)CC)cc1 27557363 RJABMAHTTGBEHI-YPMHNXCESA-N 282.815 4.339 50 1 CIGF CC1=CC[C@H](C)[C@]2(C)O[C@@]3(C)CC[C@@]12C[C@@H]3Br 2356392915 SYYFCPWJJJHNKJ-MFGQWXODSA-N 299.252 4.454 50 1 CIGF O=C(CCCCl)c1coc2ccc(Cl)cc12 587278203 ITSJPTBOKVENQN-UHFFFAOYSA-N 257.116 4.288 50 1 CIGF C[C@]1(CCOCc2ccccc2)CC2(CCCCC2)OO1 44418493 SDGIFGLGJBTZFY-KRWDZBQOSA-N 290.403 4.407 50 1 CIGF C=CCc1c(CCl)[nH]c2ccc(F)c(Cl)c12 587628083 HYGASGFLEYNIJT-UHFFFAOYSA-N 258.123 4.428 50 1 CIGF C1CCCCCC2(CCCCC1)OOCCCOO2 8692 GDASXAAUCLPIRP-UHFFFAOYSA-N 272.385 4.288 50 1 CIGF C[C@]1(c2ccccc2)CC(c2ccccc2)=CC(N)=C1C#N 40614164 XTKUEBWEMYTCKL-HXUWFJFHSA-N 286.378 4.168 50 1 CIGF Cc1[nH]c2c(C)cc(Cl)cc2c1NC(=O)[C@@H](C)Cl 587623713 MHMHMMNQFFGEIQ-SSDOTTSWSA-N 285.174 4.004 50 1 CIGF CCC(CC)=C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1 103181049 GOVFQCDSTVKPLC-LLVKDONJSA-N 290.794 4.157 50 1 CIGF S=C=Nc1cc2nc(-c3ccccn3)[nH]c2cc1Cl 169321303 IABNOSVSKKIGQU-UHFFFAOYSA-N 286.747 4.013 50 1 CIGF CCCc1c(O)ccc2c1O[C@@](CC)(CCCl)CC2=O 587460197 LHBCYBNRYHHJPC-INIZCTEOSA-N 296.794 4.088 50 1 CIGF CSc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188921 WSEBCYVBWYLNQA-LCYFTJDESA-N 291.379 4.349 50 1 CIGF Fc1cc2c(CCl)c(CCCl)[nH]c2cc1Cl 587628624 OVKYYKNADXHDDZ-UHFFFAOYSA-N 280.557 4.481 50 1 CIGF CC1=CC[C@H](C)[C@@]2(C)O[C@@]3(C)CC[C@@]12C[C@@H]3Br 2356392914 SYYFCPWJJJHNKJ-HWKXDMQWSA-N 299.252 4.454 50 1 CIGF CC1=CC[C@H](C)[C@]2(C)O[C@@]3(C)CC[C@@]12C[C@H]3Br 2356392916 SYYFCPWJJJHNKJ-WCDYYPSBSA-N 299.252 4.454 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCCC2)OO1 44146081 WDVITSAYHXCNPO-OAHLLOKOSA-N 294.778 4.361 50 1 CIGF N[C@H]1C[C@@]1(F)c1cccc(S(F)(F)(F)(F)F)c1 1772604388 WJYCFPMERRQQSG-DTWKUNHWSA-N 277.233 4.240 50 1 CIGF CC(=O)OC(=O)C1=CCCC(C)=CCC(C)(C)C=CC1 2356695000 PVYIMWADUMUGNG-UHFFFAOYSA-N 276.376 4.105 50 1 CIGF Fc1c(Cl)cc2nc([C@H](Cl)CCl)[nH]c2c1F 587007540 FMKDBLZKXMUHEK-SCSAIBSYSA-N 285.508 4.013 50 1 CIGF C=C1C(CC)=C(C#N)C(=O)N1c1cccc(Cl)c1Cl 64600101 KMLIODBJUFRTIS-UHFFFAOYSA-N 293.153 4.084 50 1 CIGF O=C(NCCCl)Nc1cccc(C2CCCCC2)c1 40918905 RFEAQFXPUIFSSX-UHFFFAOYSA-N 280.799 4.095 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587188521 RXEYCANSGILLDK-UXBLZVDNSA-N 299.255 4.044 50 1 CIGF C[C@H](Br)c1nc2cc(Cl)cc(Cl)c2[nH]1 587008964 PQYQXBUPZSVBLF-BYPYZUCNSA-N 293.979 4.326 50 1 CIGF Cc1[nH]c2c(C)cc(Cl)cc2c1CCBr 587623357 FWCZSMOYXKYXTH-UHFFFAOYSA-N 286.600 4.376 50 1 CIGF CO[C@]1(c2ccc(Cl)cc2)C=CC2(CCCCC2)OO1 38158553 FDLDTSGRMHABKW-MRXNPFEDSA-N 294.778 4.360 50 1 CIGF Cc1ccc([C@]2(C)CC[C@H](Cl)[C@H](C)C2)c(O)c1 13385962 KRDAIFYYHXUHSK-OSAQELSMSA-N 252.785 4.386 50 1 CIGF CCc1[nH]c2c(C)cc(Cl)cc2c1CCCl 587623698 LYEOAFRKSHQPOC-UHFFFAOYSA-N 256.176 4.473 50 1 CIGF CC1(C)CCC[C@]2(C)[C@@H]([C@@H](O)CCl)[C@H]3CC[C@@H]2[C@H]31 28645654 VSLAWTPHXJMTFI-CJLROXEISA-N 270.844 4.075 50 1 CIGF C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N(C(C)C)C(C)C 40827878 LAXVRCZIWYRAKL-GDIAMCNSSA-N 291.435 4.060 50 1 CIGF Cc1cccc2nc([C@H](Br)C(C)(C)F)[nH]c12 587086527 CJZZJAFPCPYPHL-JTQLQIEISA-N 285.160 4.055 50 1 CIGF CC1=CC[C@H](Br)C(C)(C)[C@@]12C=C[C@](C)(O)CC2 2356405386 RUOAEAYZGJNGQV-AEGPPILISA-N 299.252 4.214 50 1 CIGF C=CC=CC[C@@H]1O[C@](C)([C@H](C)Br)CC[C@H]1C 2356497810 ZVQZUFIAWREUOG-RFGFWPKPSA-N 287.241 4.476 50 1 CIGF C#C/C=C\C[C@@H]1OC(CCC)=CC=CC[C@@H]1Cl 140441091 JTLGNRGWXKSSOM-VUONCFPPSA-N 250.769 4.202 50 1 CIGF C#C/C=C\C[C@@H]1CCC/C=C\[C@H](Br)[C@H](CC)O1 238744694 NDQADFJKKHDIGT-JVYLDAMYSA-N 297.236 4.233 50 1 CIGF Cc1[nH]c2cc(Cl)c(F)cc2c1CCBr 587628178 OZRGKSCLACZLMJ-UHFFFAOYSA-N 290.563 4.206 50 1 CIGF CCCc1ccc(C(=O)NNc2c(C)cccc2C)cc1 653729358 YKXJBSLLDOWNQQ-UHFFFAOYSA-N 282.387 4.013 50 1 CIGF C#C/C=C\C[C@H](Cl)[C@@H](C/C=C\C=C\CC)OC(C)=O 42920649 GJNIZHUDNBTUTM-NFLGKABNSA-N 280.795 4.018 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccccc1N=C=S 587919185 IMSOMSPSCYOOFT-UHFFFAOYSA-N 299.782 4.483 50 1 CIGF C=C(c1ccco1)N(C(=O)CCl)c1c(C)cccc1C 103198453 WQVDXDBIYRLUSZ-UHFFFAOYSA-N 289.762 4.139 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3cc(C)cc(F)c3[nH]2)cc1 587188147 OWXDOUGBSWZMKW-ZROIWOOFSA-N 291.329 4.383 50 1 CIGF C=C1[C@H](C)CC=C(C)[C@]12CC[C@](C)(O)[C@H](Br)C2 2356792504 JUGPSBMRDAHGGH-QPKOPYBWSA-N 299.252 4.214 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 587189136 YLWXNACOYYOYSU-WDZFZDKYSA-N 297.720 4.420 50 1 CIGF C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C/C=C(\C)C=O 39174205 WGXJWFWMLXWYDD-VGXMYUJSSA-N 290.447 4.293 50 1 CIGF C=C(C)[C@@H]1OO[C@]2(O[C@H]1CCC)[C@H]1CC3C[C@@H](C1)C[C@H]2C3 1857742805 MMWYGSOBGHMOPP-WMWUUPLNSA-N 292.419 4.231 50 1 CIGF N#C/C(=C\c1ccc[nH]1)c1ccccc1C(F)(F)F 35994484 BIMJGXAYJRCJAM-CSKARUKUSA-N 262.234 4.098 50 1 CIGF N#CSCCNc1ccc(Oc2ccccc2)cc1 29485648 OUYOOXHSOCIAIB-UHFFFAOYSA-N 270.357 4.105 50 1 CIGF Fc1ccc2[nH]c(CCl)c(CCCl)c2c1Cl 587628950 WHQMWLKBQFJKFA-UHFFFAOYSA-N 280.557 4.481 50 1 CIGF S=C=Nc1ccc2nc(-c3cccnc3)sc2c1 28012973 KQXMZBHJYBIQCX-UHFFFAOYSA-N 269.354 4.093 50 1 CIGF CC(C)Cc1c(CCl)nc2cccc3c2c1CC3 587209627 VBMFDUUFDMIHLU-UHFFFAOYSA-N 259.780 4.271 50 1 CIGF CC1(C)CCC[C@]2(C)[C@@H]([C@H](O)CCl)[C@H]3CC[C@@H]2[C@H]31 28645651 VSLAWTPHXJMTFI-OTJBPAGCSA-N 270.844 4.075 50 1 CIGF C[C@@H](Cl)CCCC(=O)c1coc2cc(C#N)ccc12 587278640 URLOAHBMCMXZBB-SNVBAGLBSA-N 275.735 4.285 50 1 CIGF CC[C@H](C)c1ccc2[nH]c(CCl)c(OC(C)=O)c2c1 587639439 WEVFBAJVRHVBOP-VIFPVBQESA-N 279.767 4.346 50 1 CIGF C=C1C[C@](C)(Cl)[C@H](Br)C[C@@H]1C=CCl 2356480755 PHJVUZPRYAGZPD-AEJSXWLSSA-N 284.024 4.466 50 1 CIGF Cc1ccc(C2=CC=C(C=O)[C@](C)(c3ccc(C)o3)C2)o1 35077271 IVWMGEWXEJWQAC-GOSISDBHSA-N 282.339 4.360 50 1 CIGF O=C1C[C@H](Br)c2c(Cl)sc(Cl)c21 1864372 QXJHUKYIQBIUGT-REOHCLBHSA-N 285.977 4.077 50 1 CIGF O=C(/C(=C/c1ccccc1)CCl)c1ccccc1 103275424 RWEPYSAULGRTEW-RVDMUPIBSA-N 256.732 4.192 50 1 CIGF ClCCCc1nc2cccc3c2c(c1CCCl)CC3 587209345 NZQWVVGBGAGNFU-UHFFFAOYSA-N 294.225 4.286 50 1 CIGF CCCCCSSC(=S)N(CC)CC 1857642818 FIQUHOCUNHYYDB-UHFFFAOYSA-N 251.486 4.185 50 1 CIGF Fc1ccc2[nH]c(CCCl)c(CCl)c2c1Cl 587628947 WDZPGXCOIVTZSD-UHFFFAOYSA-N 280.557 4.481 50 1 CIGF C#CC=CC[C@@H](OC(C)=O)[C@@H](Cl)CC=CCC=CCC 2356521858 OIYRZXJDSDRVQP-DLBZAZTESA-N 294.822 4.408 50 1 CIGF C[C@H]1CC[C@@H](C)CC12OOC1(C[C@H](C)CC[C@H]1C)OO2 38155672 BJKXJNIWMOLFCT-MSIGHWPWSA-N 284.396 4.201 50 1 CIGF CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1CCl 13600318 PTDAOITUGCBUGD-GOSISDBHSA-N 298.817 4.033 50 1 CIGF Cc1c(CBr)[nH]c2ccc(F)c(Cl)c12 587627606 FHNQKJHBJMGETF-UHFFFAOYSA-N 276.536 4.164 50 1 CIGF C=C[C@@]1(C)CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C 195997928 KNEYSXWFSPTECK-ZFWWWQNUSA-N 268.473 4.322 50 1 CIGF C#CC=CC[C@H](Cl)[C@@H](CC=CC=CCC)OC(C)=O 2356616766 GJNIZHUDNBTUTM-JKSUJKDBSA-N 280.795 4.018 50 1 CIGF CC1=CC[C@@H](Br)C(C)(C)[C@@]12C=C[C@@](C)(O)CC2 238786588 RUOAEAYZGJNGQV-BPLDGKMQSA-N 299.252 4.214 50 1 CIGF C[C@]1(C(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587498816 OTWWNWUXXYDWNE-OAHLLOKOSA-N 299.197 4.093 50 1 CIGF CC1=CC[C@H](Br)C(C)(C)[C@]12C=C[C@](C)(O)CC2 2356405389 RUOAEAYZGJNGQV-QEJZJMRPSA-N 299.252 4.214 50 1 CIGF CC1=C(C#N)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 19760982 VQDBGJLACRHULV-INIZCTEOSA-N 293.370 4.049 50 1 CIGF C[C@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496879 GQWBTCVZWLMWEF-KRWDZBQOSA-N 292.806 4.308 50 1 CIGF Cc1cc(C)c2c(=O)c3ccccc3n(CCCCl)c2c1 103275047 NCQOQPVCRVMPIF-UHFFFAOYSA-N 299.801 4.400 50 1 CIGF O=C/C=C/c1ccccc1OCc1ccc(Cl)cc1 40764099 FDYDTBQLNHRZQT-HWKANZROSA-N 272.731 4.131 50 1 CIGF Cc1cc(C)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587186953 BJGXWCRDYLBMQE-GDNBJRDFSA-N 273.339 4.244 50 1 CIGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC=C(C)CC2 5964459 APALGGYWOOAWLG-YDHLFZDLSA-N 299.252 4.214 50 1 CIGF biogenic C[C@H]1C[C@H](C)CCC12OOC1(CC[C@@H](C)C[C@@H]1C)OO2 169358545 OXRKVZOFEOJFMN-FVAZMBRWSA-N 284.396 4.201 50 1 CIGF Cc1c([C@H](C)Br)[nH]c2cc(F)ccc12 587632274 IQCIRISJOMBZGE-ZETCQYMHSA-N 256.118 4.071 50 1 CIGF O=CC1=CC=C(c2cccs2)C[C@@H]1c1ccccc1 40980699 DLAHKJYQPUZKGR-MRXNPFEDSA-N 266.365 4.444 50 1 CIGF Cc1[nH]c2ccc(F)c(Cl)c2c1CCCCl 587628656 QHURUGGYPVEEKE-UHFFFAOYSA-N 260.139 4.440 50 1 CIGF C[C@H](Cl)C(=O)N1c2ccccc2Oc2ccccc21 653699939 SSHOFOONPCLYHU-JTQLQIEISA-N 273.719 4.084 50 1 CIGF N#CC(C#N)=Cc1cccc(Cc2cc(F)c(F)cc2F)c1 1857608993 QHKCPTYMKVRRKN-UHFFFAOYSA-N 298.267 4.125 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@H](Br)C[C@@H]1Cl 2356601017 GVMODESZHUSDQY-AEJSXWLSSA-N 284.024 4.466 50 1 CIGF CCCc1c(O)ccc2c1O[C@H](CCCCCl)CC2=O 587462383 YUSKFFJZAOKXDA-LLVKDONJSA-N 296.794 4.088 50 1 CIGF CCO/C(C)=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 587922678 SASKDLADOXDYSJ-JLHYYAGUSA-N 288.347 4.240 50 1 CIGF C[C@H](N)Cc1cccc(S(F)(F)(F)(F)F)c1 43574857 YGBSUVPUXAMOTQ-ZETCQYMHSA-N 261.259 4.234 50 1 CIGF in-vivo C=C1C[C@@](c2ccccc2)([C@H](Cl)c2ccccc2)OC1=O 1911576358 OYOTZSLGJBBROB-SJLPKXTDSA-N 298.769 4.365 50 1 CIGF C=CCc1ccc(Oc2ccc(/C=C/C=O)cc2)c(O)c1 95601862 OEMPNLUEIYKHQQ-HWKANZROSA-N 280.323 4.125 50 1 CIGF C/C(O)=C(/C#N)c1nc2ccccc2c2ccccc12 103523338 IDGFWBAENCZBKF-RVDMUPIBSA-N 260.296 4.201 50 1 CIGF C[C@@]1(c2ccccc2)CC(c2ccccc2)=CC(N)=C1C#N 40614166 XTKUEBWEMYTCKL-FQEVSTJZSA-N 286.378 4.168 50 1 CIGF Cc1ccc(Oc2cccc(C=C(C#N)C#N)c2)cc1 1857592263 HMSQGYMYWCPQMD-UHFFFAOYSA-N 260.296 4.218 50 1 CIGF C=C1C(C)=C(C#N)C(=O)N1c1c(CC)cccc1C(C)(C)C 64491834 YBRNCACFZOVFMF-UHFFFAOYSA-N 294.398 4.247 50 1 CIGF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1NC(=O)CCl 587638935 KFKMHRUHBUVTFS-JTQLQIEISA-N 292.810 4.421 50 1 CIGF CC[C@H](C)c1ccc2[nH]c(CCl)c(OC)c2c1 587638684 IPEUAGGXHBAPFP-VIFPVBQESA-N 251.757 4.429 50 1 CIGF CCCC[C@H](C)C[C@]1(CC)C=C(CC)[C@H](CC(=O)O)OO1 85644948 ADLQEKVIRPQEBH-JLJPHGGASA-N 298.423 4.493 50 1 CIGF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1CC=C(C)C=O 2356549210 VIBIHOWJZCXZNF-FAJBIJEISA-N 290.447 4.291 50 1 CIGF Cc1ccc(C2=CC=C(C=O)[C@@](C)(c3ccc(C)o3)C2)o1 35077270 IVWMGEWXEJWQAC-SFHVURJKSA-N 282.339 4.360 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(C(=O)OC)c2c1 587639167 OLORQFYHSWJCJU-SECBINFHSA-N 279.767 4.207 50 1 CIGF N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ncccc12 1857655896 ZOOFQSYHVXNMLA-OQLLNIDSSA-N 296.333 4.175 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccccc1SC#N 587919617 REBMZXHAZKQRSO-UHFFFAOYSA-N 299.782 4.322 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@@H](Br)C[C@H]1Cl 2356601020 GVMODESZHUSDQY-UTLUCORTSA-N 284.024 4.466 50 1 CIGF O=C(O)c1cccc2c(CCCl)c(-c3ccccc3)[nH]c12 587639095 VMLMTLKBFJKCCC-UHFFFAOYSA-N 299.757 4.314 50 1 CIGF ClCCN(CCCl)c1ccc(CC2C=CC=C2)cc1 38143009 HUMJKTOUYMXBEO-UHFFFAOYSA-N 296.241 4.255 50 1 CIGF N#Cc1ccc2c(C(=O)[C@H](Cl)c3ccccc3)coc2c1 587277939 IMQKDOXAKXOOEK-MRXNPFEDSA-N 295.725 4.467 50 1 CIGF C[C@@H](COc1ccc(Oc2ccccc2)cc1)SC#N 29547197 MFILCKDDGTZXBS-ZDUSSCGKSA-N 285.368 4.460 50 1 CIGF C=C(c1cccc2ccccc12)[C@H]1CCOC(C)(C)OO1 44145917 ITWPLPQBNKTBNL-QGZVFWFLSA-N 284.355 4.326 50 1 CIGF O=C(Cl)Nc1cccc(-c2cnc3ccccc3n2)c1 96177995 TTXMXPHTIWQSFU-UHFFFAOYSA-N 283.718 4.068 50 1 CIGF CCCn1c(SC)nc2c(CBr)cccc21 5839277 SFTSCCWZRVVIDY-UHFFFAOYSA-N 299.237 4.063 50 1 CIGF C#C/C=C\C[C@@H](Cl)[C@H](C/C=C\C=C\CC)OC(C)=O 42920644 GJNIZHUDNBTUTM-NWTNFLKBSA-N 280.795 4.018 50 1 CIGF c1ccc(OSSOc2ccccc2)cc1 59280497 FXIPKYIPAFDKIL-UHFFFAOYSA-N 250.344 4.356 50 1 CIGF C=C1C(CC(C)C)=C(C#N)C(=O)N1c1c(C)cc(C)cc1C 64428962 OITFROHSZHTQCD-UHFFFAOYSA-N 294.398 4.338 50 1 CIGF CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/C(=O)O)cc1 195834911 MYGJZPUJVGFYDK-DHZHZOJOSA-N 278.424 4.168 50 1 CIGF ClC[C@H](Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587007225 BMKSZWDVAMNKGG-LURJTMIESA-N 283.973 4.388 50 1 CIGF Cc1c(CCCCl)[nH]c2ccc(F)c(Cl)c12 587628395 NWMPRLMEBYJLOJ-UHFFFAOYSA-N 260.139 4.440 50 1 CIGF O=C(CCCl)N1c2ccccc2Oc2ccccc21 216663423 UAZVMKQSSWBCHR-UHFFFAOYSA-N 273.719 4.086 50 1 CIGF C=CCc1cccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 587188368 QWZVBXFBHPGUAI-FOWTUZBSSA-N 285.350 4.356 50 1 CIGF C#CC=CC[C@H](Cl)[C@H]1CC=C(Cl)C=C[C@@H](CC)O1 2356755750 QJPVCDSENWMPQB-QLFBSQMISA-N 285.214 4.420 50 1 CIGF C=CCSS/C=C\C[S@](=O)Cc1ccccc1 84541549 NZWIGPOPFHIAFK-XBMZPMPPSA-N 284.471 4.016 50 1 CIGF O=C(CCCCBr)c1coc2ccccc12 587280652 PSAJIMBQGVUQTG-UHFFFAOYSA-N 281.149 4.181 50 1 CIGF CC(C)C=C[C@@H]1O[C@@]1(C)C1CCC(C)(N=C=S)CC1 2356480622 KDUAXUPCJBAPHQ-GRAKBVBRSA-N 279.449 4.408 50 1 CIGF CC(C)C=C[C@H]1O[C@@]1(C)C1CCC(C)(N=C=S)CC1 2356480624 KDUAXUPCJBAPHQ-KNIAUWFNSA-N 279.449 4.408 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(CCCl)c2c1 587638663 HRPDLBXGUKTXLC-SNVBAGLBSA-N 293.794 4.249 50 1 CIGF N#C/C(=C\c1c[nH]c2cc(F)ccc12)c1ccccc1 72108091 LGADBOQXTUFTLP-MDWZMJQESA-N 262.287 4.371 50 1 CIGF O=C1C[C@H](CCCCCl)Oc2c1ccc1c2CCCC1 587497938 LMUYPKHTGFVJPR-ZDUSSCGKSA-N 292.806 4.308 50 1 CIGF CC[C@@H]1C[C@](C=CCC(C)C)(CC)OO[C@@H]1CC(=O)OC 2356430849 SCTUFRCXFQMBTG-BFYDXBDKSA-N 298.423 4.047 50 1 CIGF N#C/C(=C\c1ccc[nH]1)c1cccc(C(F)(F)F)c1 35963391 AWDDLGPISNTYQN-DHZHZOJOSA-N 262.234 4.098 50 1 CIGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 96939287 KQILSYUJKWFMGU-UONOGXRCSA-N 292.165 4.035 50 1 CIGF CCCCSSc1nnc(-c2ccc(OC)cc2)o1 1857562381 RIOHQPGCDYVMQA-UHFFFAOYSA-N 296.417 4.286 50 1 CIGF C=C1CC[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC=C(C)C=O 2356380946 WGXJWFWMLXWYDD-ZSYWTGECSA-N 290.447 4.293 50 1 CIGF C=C1CC=CC(C)(C)[C@@H]1CC=C(C)[C@@H](O)CBr 2356425621 PSLQVGUCVAPCDK-KGLIPLIRSA-N 299.252 4.237 50 1 CIGF CC1(C)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43990203 PAEYJDHUPWOBGU-UHFFFAOYSA-N 292.419 4.414 50 1 CIGF C=C(C=O)CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)CC[C@H]1C 2356736001 XXWGUVZXPHHONT-FDPIWHGQSA-N 288.431 4.500 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@@H](Br)[C@@H](CC)O1 2356425374 KQEYHIDELOKBAL-RBSFLKMASA-N 295.220 4.009 50 1 CIGF CCc1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 587188260 QHJHAIFUAZWYQE-YBEGLDIGSA-N 287.366 4.498 50 1 CIGF C#C/C=C\[C@@H]1/C=C\C/C=C\C[C@H]([C@@H](Br)CC)O1 14860943 ZVDYTGRFTGJTLL-QMRJKOCLSA-N 295.220 4.009 50 1 CIGF C=C(c1ccccc1)[C@@]1(C)COC2(CCCCC2)OO1 43226394 UKAVYKXYZARYFC-MRXNPFEDSA-N 274.360 4.097 50 1 CIGF CC1=C(C#N)[C@H](c2ccccc2F)C2=C(O)CCCC2=N1 103523656 BBQHZKFFSHWZMC-INIZCTEOSA-N 282.318 4.157 50 1 CIGF CC[C@H]1CCCCC12OOC1(CCCC[C@H]1CC)OO2 38155668 IZMNUSICCAKPJW-PJPHBNEVSA-N 284.396 4.489 50 1 CIGF C=CCSS/C=C\C[S@@](=O)Cc1ccccc1 84541547 NZWIGPOPFHIAFK-IVEQORNPSA-N 284.471 4.016 50 1 CIGF Cc1c([C@@H](C)Br)nc2cccc3c2c1CC3 587208035 KCVLXIZAPCNNKR-SECBINFHSA-N 276.177 4.098 50 1 CIGF CC(C)=C(c1ccccc1)N(CC(C)C)C(=O)CCl 103188255 REAYWBSLPSDTPH-UHFFFAOYSA-N 279.811 4.161 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3cccc(F)c3[nH]2)cc1 587188382 QYRNZTLMXCMVFT-UKTHLTGXSA-N 277.302 4.075 50 1 CIGF O=C(Nc1cccc(-c2ccccc2)c1)C(Cl)Cl 79599370 FTGRGSZWBSAVQD-UHFFFAOYSA-N 280.154 4.096 50 1 CIGF N#CC1=CN(Cc2ccccc2)C=C(C#N)C1c1ccccc1 1857546807 JWIPCWPNPDLSPK-UHFFFAOYSA-N 297.361 4.101 50 1 CIGF CO[C@]1(c2ccccc2)C=CC2(CCCCCC2)OO1 38158555 PICBSKIARMMKNB-QGZVFWFLSA-N 274.360 4.097 50 1 CIGF CC(=O)OC(=O)/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1 238781776 PVYIMWADUMUGNG-OATDVAMBSA-N 276.376 4.105 50 1 CIGF CCOC(=O)c1[nH]c2cc(F)ccc2c1CCCCCl 587632467 CYMNITWYOZMDEO-UHFFFAOYSA-N 297.757 4.045 50 1 CIGF CC[C@H](CCl)NC(=O)Nc1ccc([C@H](C)CC)cc1 27556394 RJABMAHTTGBEHI-DGCLKSJQSA-N 282.815 4.339 50 1 CIGF C=C[C@@](C)(/C=C/c1ccc(O)cc1)CC/C=C/C#N 653738207 SACHPHPMLXZAHC-GMSHOPEDSA-N 253.345 4.458 50 1 CIGF N#CC(C#N)=Cc1cccc(Oc2ccc(F)cc2)c1 1857566291 HAXVVGBAEAIVNK-UHFFFAOYSA-N 264.259 4.049 50 1 CIGF C[Si](C)(C)O[C@@H](C#N)C1CCCCCCCC1 169975274 HIDIISNAMDOLDX-AWEZNQCLSA-N 253.462 4.481 50 1 CIGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(/C=C/C#N)[C@@H]2C=O 473144391 ASONWNPDQQGSLI-QQYQFBHESA-N 257.377 4.044 50 1 CIGF O=C(Cl)CCCC(=O)c1coc2ccc(Cl)cc12 587275655 DBPXWRALRYYGNO-UHFFFAOYSA-N 285.126 4.205 50 1 CIGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=C\C=O 29399029 FNCYOVTUSHHEOS-UKJHMZDRSA-N 296.410 4.374 50 1 CIGF CO[C@@]1(c2ccc(F)cc2)C=CC2(CCCCCC2)OO1 38158526 KUZCFGXLRXKCCD-KRWDZBQOSA-N 292.350 4.236 50 1 CIGF C#CC=CC[C@H](Cl)[C@H]1CC=C(Cl)C=C[C@H](CC)O1 2356755751 QJPVCDSENWMPQB-SOUVJXGZSA-N 285.214 4.420 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)CO 2356531954 OPTVCEJJRRFTRJ-YQVWRLOYSA-N 290.447 4.293 50 1 CIGF C[C@H]1CCC[C@H](C)C12OOC1(OO2)[C@H](C)CCC[C@H]1C 44280414 QNLUHHKOKLCMNG-KJGYPYNMSA-N 284.396 4.201 50 1 CIGF CCC(CC)(C(=O)Cl)C(=O)c1coc2ccccc12 587280816 ZOXWJRWFWDSWEG-UHFFFAOYSA-N 278.735 4.187 50 1 CIGF COc1cc(C)c2c(c1)C=C[C@](C)(CCC=C(C)C=O)O2 2356306169 GFYQESKZMOLXKQ-SFHVURJKSA-N 286.371 4.093 50 1 CIGF S=C=Nc1ccc2[nH]c(-c3cc(Cl)ccn3)nc2c1 169321328 YJNZJHZIJBQWRY-UHFFFAOYSA-N 286.747 4.013 50 1 CIGF CCCCCc1cccc(NC(=O)CCCCl)c1 53293797 ACKWJEKBUYMVKL-UHFFFAOYSA-N 267.800 4.377 50 1 CIGF C[C@H](Oc1cccc(/C=C/C=O)c1)c1ccccc1 29482370 AQCFVEFOZQQPPY-OWNNVSBGSA-N 252.313 4.039 50 1 CIGF CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103523933 FHBATFPQIWMZNE-INIZCTEOSA-N 282.318 4.157 50 1 CIGF C#C/C=C\C[C@H](OC)[C@@H](Cl)C/C=C\C/C=C\CC 238746076 SXDPOPPCSZAMMI-VACXRINWSA-N 266.812 4.491 50 1 CIGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CC[C@@]1(C)O[C@H]1C2 238786297 VPLRWHUXYUWXPS-OSRDXIQISA-N 299.252 4.454 50 1 CIGF Cc1cc2nc(/C(C#N)=C/c3ccccc3)[nH]c2cc1F 587189053 XXGLDUFRTUVSJF-MDWZMJQESA-N 277.302 4.075 50 1 CIGF C[Si](C)(C)O[C@H](C#N)C1CCCCCCCC1 169975278 HIDIISNAMDOLDX-CQSZACIVSA-N 253.462 4.481 50 1 CIGF Fc1cc2c(CCl)c(CCl)[nH]c2cc1Cl 587628067 GXZRYYBVBMZLHY-UHFFFAOYSA-N 266.530 4.438 50 1 CIGF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@@H]1CC=C(C)C=O 2356380945 WGXJWFWMLXWYDD-YRXWBPOGSA-N 290.447 4.293 50 1 CIGF N#C/C(=C\c1ccc[nH]1)c1ccc(C(F)(F)F)cc1 40587802 IEXGZTIECUSXSC-DHZHZOJOSA-N 262.234 4.098 50 1 CIGF CSc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188924 WSEBCYVBWYLNQA-UKTHLTGXSA-N 291.379 4.349 50 1 CIGF Cc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1C 587086641 FUPHJWRLUHTVOE-LLVKDONJSA-N 299.187 4.364 50 1 CIGF COc1cc(OC)cc(/C(C#N)=C/c2ccc(C)cc2)c1 1772653592 YCPOQNRVYLPOJA-LZYBPNLTSA-N 279.339 4.076 50 1 CIGF CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1CCl 13600320 PTDAOITUGCBUGD-SFHVURJKSA-N 298.817 4.033 50 1 CIGF CC(C)(C)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587007534 FIGSANXQDQIHKA-VIFPVBQESA-N 271.191 4.379 50 1 CIGF CC(C)=CCC=C(C)[C@@H]1CC=C(C=O)[C@@H]1[C@H]1C(=O)C=C[C@@H]1C 2356578236 KBIFEWXOEUXJBY-UUXHPUJUSA-N 298.426 4.442 50 1 CIGF CCCCCCc1cccc(NC(=O)NCCCl)c1 28646712 XIOHTXKGDVYNRS-UHFFFAOYSA-N 282.815 4.170 50 1 CIGF FC(F)(F)c1cccc2nc([C@H](Cl)CCl)[nH]c12 587008659 QBLORWNBJNJKJL-ZCFIWIBFSA-N 283.080 4.100 50 1 CIGF Cc1ccc(-c2csc(/C(C#N)=C(\O)CCl)n2)cc1 101921090 IUEGFYOXWKIPLD-QBFSEMIESA-N 290.775 4.150 50 1 CIGF CCc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1 149716584 MMIICRQLVCLGQO-XDHOZWIPSA-N 295.386 4.021 50 1 CIGF C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C(/C)C=O 216169504 VIBIHOWJZCXZNF-DEUHPCISSA-N 290.447 4.291 50 1 CIGF CCOC(=O)[C@@H](Cl)c1[nH]c2cc(F)ccc2c1C(C)C 587632648 NZVCOHZEPMLNDQ-ZDUSSCGKSA-N 297.757 4.273 50 1 CIGF C=C1C[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)OC1=O 1911576360 OYOTZSLGJBBROB-WMZOPIPTSA-N 298.769 4.365 50 1 CIGF C=CC=CC[C@@H]1O[C@](C)([C@@H](C)Br)CC[C@@H]1C 2356497808 ZVQZUFIAWREUOG-CRWXNKLISA-N 287.241 4.476 50 1 CIGF CCCC[C@@]1(C)C[C@@](C)(OCCc2ccccc2)OO1 95577026 DLVXBBXGLMUYIT-IRXDYDNUSA-N 278.392 4.263 50 1 CIGF CC(C)C=C[C@@H]1O[C@]1(C)C1CCC(C)(N=C=S)CC1 2356480621 KDUAXUPCJBAPHQ-BHDPWAOGSA-N 279.449 4.408 50 1 CIGF S=C=Nc1ccc2sc(-c3ccccn3)nc2c1 28093070 IPZLCYGSEOWMSL-UHFFFAOYSA-N 269.354 4.093 50 1 CIGF Cc1cccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587086528 CJZZJAFPCPYPHL-SNVBAGLBSA-N 285.160 4.055 50 1 CIGF Cc1c([C@H](C)Br)nc2cccc3c2c1CC3 587208037 KCVLXIZAPCNNKR-VIFPVBQESA-N 276.177 4.098 50 1 CIGF COc1ccc(-c2nnc(SSCC(C)C)o2)cc1 1857545104 RVALEBMQMCSHGM-UHFFFAOYSA-N 296.417 4.142 50 1 CIGF C#CC=CC[C@@H](OC)[C@@H](Cl)CC=CCC=CCC 2356752809 SXDPOPPCSZAMMI-JKSUJKDBSA-N 266.812 4.491 50 1 CIGF C=C1CC=CC(C)(C)[C@H]1CC=C(C)[C@H](O)CBr 2356425622 PSLQVGUCVAPCDK-UONOGXRCSA-N 299.252 4.237 50 1 CIGF C=C(c1ccc(C)cc1)[C@@H]1COC2(CCCCC2)OO1 43099866 VFVVAOMPQYIZPW-INIZCTEOSA-N 274.360 4.016 50 1 CIGF N#Cc1ccc2c(C(=O)[C@@H](Cl)c3ccccc3)coc2c1 587277938 IMQKDOXAKXOOEK-INIZCTEOSA-N 295.725 4.467 50 1 CIGF C=CCSSC=CC[S@](=O)Cc1ccccc1 1857623324 NZWIGPOPFHIAFK-KRWDZBQOSA-N 284.471 4.016 50 1 CIGF C[C@]1(c2cccs2)CC(c2cccs2)=CC(N)=C1C#N 40789663 ZXJFDBYCVDRSHI-INIZCTEOSA-N 298.436 4.291 50 1 CIGF CCOC(=O)[C@H](Cl)c1[nH]c2cccc(F)c2c1C(C)C 587632299 JBEODXBGRVJCPK-CYBMUJFWSA-N 297.757 4.273 50 1 CIGF O=[N+]([O-])c1ccc2c(CCl)c(-c3ccccc3)[nH]c2c1 587644633 IYEMHZDINMUVPO-UHFFFAOYSA-N 286.718 4.482 50 1 CIGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 96939289 KQILSYUJKWFMGU-ZIAGYGMSSA-N 292.165 4.035 50 1 CIGF CCOP(=O)(OCC)/C(C#N)=C/c1cccn1C(C)C 1857409 GBPJAYHBHIOMPT-GXDHUFHOSA-N 296.307 4.200 50 1 CIGF N#CC(C#N)=Cc1cccc(Cc2cccc(Cl)c2)c1 1857564842 DZHHPYNMRYPDFZ-UHFFFAOYSA-N 278.742 4.361 50 1 CIGF CCCC[C@@H](OC)c1cccc(NC(=O)CCCl)c1 53314034 NUOKKIIXQNFYOH-CQSZACIVSA-N 283.799 4.132 50 1 CIGF N#CSCCOc1ccc(Sc2ccccc2)cc1 225301260 SHJCVDDFCOJUTA-UHFFFAOYSA-N 287.409 4.431 50 1 CIGF Cc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587086471 ADYAZJVMBZKPMR-JTQLQIEISA-N 285.160 4.055 50 1 CIGF C[C@H](COc1ccc(Oc2ccccc2)cc1)SC#N 29489514 MFILCKDDGTZXBS-CYBMUJFWSA-N 285.368 4.460 50 1 CIGF Br[C@H]1CCCc2c1nc1cccc3c1c2CC3 587209405 OYAUANVQVVMSBH-LBPRGKRZSA-N 288.188 4.106 50 1 CIGF CCc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587187965 MTIXIHFYUKWEOL-XNTDXEJSSA-N 273.339 4.189 50 1 CIGF C#CC=CC[C@@H]1CCCC=C[C@H](Br)[C@@H](CC)O1 2356538695 NDQADFJKKHDIGT-QLFBSQMISA-N 297.236 4.233 50 1 CIGF CN1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(N=C=S)cc13 34836431 BNMGAKYFGHEJFA-SZMVWBNQSA-N 298.455 4.109 50 1 CIGF O=C(Nc1cccc(-c2ccccc2F)c1)C(Cl)Cl 95562851 VAAUQTTWAGHYHD-UHFFFAOYSA-N 298.144 4.235 50 1 CIGF C=CCc1ccc(O)c(-c2ccc(OC)c(/C=C/C=O)c2)c1 96085660 PDSJHKVGVLTIBI-GQCTYLIASA-N 294.350 4.008 50 1 CIGF in-vitro COc1ccc(C(C#N)=Cc2cccc(Cl)c2)cc1 2356315480 CQJMTOOEWQBWPO-UHFFFAOYSA-N 269.731 4.413 50 1 CIGF CCCC[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OCC)OO1 85775825 BIBCGTFDNIZHFK-IJEWVQPXSA-N 286.412 4.025 50 1 CIGF C#C/C=C\C[C@@H]1CCC/C=C/[C@H](Br)[C@H](CC)O1 238787748 NDQADFJKKHDIGT-DWSOPYGJSA-N 297.236 4.233 50 1 CIGF C[C@@]1(c2cccs2)CC(c2cccs2)=CC(N)=C1C#N 40789665 ZXJFDBYCVDRSHI-MRXNPFEDSA-N 298.436 4.291 50 1 CIGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 104072780 OOSJSEWBNNPHED-INIZCTEOSA-N 264.328 4.018 50 1 CIGF Cc1ccc(-c2cccc(NC(=O)C(Cl)Cl)c2)cc1 95558930 HOYZVEZZEQUFMZ-UHFFFAOYSA-N 294.181 4.404 50 1 CIGF Cc1ccc([S@@](=O)[C@@H](C)[C@@H](Cl)c2ccccc2)cc1 105352493 GJQTXBIGYCOOQE-URKNILKWSA-N 292.831 4.471 50 1 CIGF C[C@@H](Cl)CCCC(=O)c1coc2ccccc12 587281113 WLTQWYZGFILYQE-SNVBAGLBSA-N 250.725 4.413 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@]1(C)COC2(CCCC2)OO1 43099887 YYCWWYFXIGMSSG-HNNXBMFYSA-N 294.778 4.361 50 1 CIGF C#CC=CC[C@H]1OC(CCC)=CC=CC[C@@H]1Cl 2356428384 JTLGNRGWXKSSOM-LSDHHAIUSA-N 250.769 4.202 50 1 CIGF BrC/C=C/c1nc2cc3ccccc3cc2[nH]1 586974178 RZSIPZIFBLZRMA-ZZXKWVIFSA-N 287.160 4.124 50 1 CIGF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC=C(C)C=O 2356549209 VIBIHOWJZCXZNF-DODZYUBVSA-N 290.447 4.291 50 1 CIGF C=C1CC=CC(C)(C)[C@@H]1C/C=C(\C)[C@@H](O)CBr 31457772 PSLQVGUCVAPCDK-NMEJBFKPSA-N 299.252 4.237 50 1 CIGF O=C(CCl)c1c[nH]c(C/N=N/c2ccccc2Cl)c1 169688196 MFKIWDPGRJYVRY-ISLYRVAYSA-N 296.157 4.374 50 1 CIGF CC(C)(CCl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500136 YNZRFMAURNYYLS-OAHLLOKOSA-N 292.806 4.164 50 1 CIGF C=C/C=C/C[C@H]1O[C@](C)([C@H](C)Br)CC[C@H]1C 14860945 ZVQZUFIAWREUOG-VEWCADAXSA-N 287.241 4.476 50 1 CIGF CCCCSSc1nnc(-c2ccc(F)cc2)o1 1857550808 YBYLWUGHQZSACO-UHFFFAOYSA-N 284.381 4.416 50 1 CIGF N#CSCCOc1ccc(Oc2cccc(F)c2)cc1 28824641 OACHIQATVCITPG-UHFFFAOYSA-N 289.331 4.211 50 1 CIGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 96939288 KQILSYUJKWFMGU-KBPBESRZSA-N 292.165 4.035 50 1 CIGF CN(C(=O)CCl)c1ccc(Sc2ccccc2)cc1 28001182 UVALIPGPOBRBSM-UHFFFAOYSA-N 291.803 4.039 50 1 CIGF CC[C@@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103188251 NTECLXIGIZKDNN-CYBMUJFWSA-N 279.811 4.303 50 1 CIGF CC(C)(C(=O)Cl)C(=O)c1coc2ccc(Cl)cc12 587276485 QSPJLECTXMAXDD-UHFFFAOYSA-N 285.126 4.061 50 1 CIGF CC1(C)C[C@@H](c2ccc(CO)cc2)CC[C@@H]1Br 14585342 QXMMKIPNKJNGPB-KBPBESRZSA-N 297.236 4.236 50 1 CIGF N#C/C(=C\c1ccc(O)cc1)c1nc2cc(Cl)ccc2o1 103290815 ITLLJEAXZOFVJN-YRNVUSSQSA-N 296.713 4.251 50 1 CIGF C[C@H](Cl)CCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280248 PMYMGGQVAVWTQM-VIFPVBQESA-N 295.722 4.321 50 1 CIGF FC(F)(F)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008342 NWUNFWIWUACHBE-ZCFIWIBFSA-N 283.080 4.100 50 1 CIGF C=C1CCCC(C)(C)[C@@H]1CC=C(C=O)C=C(C)OC(C)=O 2356741410 JLVLVOITZSLHPU-QGZVFWFLSA-N 290.403 4.351 50 1 CIGF O=C(CCl)N1c2ccccc2Oc2ccc(Cl)cc21 139011884 BJLIPVCCUCPBHM-UHFFFAOYSA-N 294.137 4.349 50 1 CIGF CCCC[C@@]1(C)C[C@H](COC)[C@@](CCCC)(OC)OO1 103287419 PXQBCBXJYIYONW-PMPSAXMXSA-N 288.428 4.083 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@@H]([C@@H](Br)CC)O1 2356670098 ZVDYTGRFTGJTLL-ILXRZTDVSA-N 295.220 4.009 50 1 CIGF O=C(CCC1CCCCC1)N/N=C\c1ccc(Cl)cc1 103168392 FUKUYCPYDZVWPF-PDGQHHTCSA-N 292.810 4.151 50 1 CIGF CCC(C)(C)[C@]1(CCl)NCCc2c1sc(C)c2C 963016868 CPMFTRYIFMEJOZ-OAHLLOKOSA-N 285.884 4.381 50 1 CIGF C[C@H]1CC[C@H](C)C2(C1)OOC1(C[C@H](C)CC[C@H]1C)OO2 58677908 BJKXJNIWMOLFCT-WYUYUUCSSA-N 284.396 4.201 50 1 CIGF CC(C)N(C(C)C)[P@@](=O)(Cl)Oc1ccco1 103294066 WLPXTRYBZDTJME-MRXNPFEDSA-N 265.677 4.124 50 1 CIGF O=C(Cl)CCCCCC(=O)c1coc2ccccc12 587280804 YYDYHXJBNGYRJJ-UHFFFAOYSA-N 278.735 4.331 50 1 CIGF CC[C@@H](CCl)NC(=O)Nc1ccc([C@@H](C)CC)cc1 27557365 RJABMAHTTGBEHI-AAEUAGOBSA-N 282.815 4.339 50 1 CIGF Cc1ccc(C2=CC=C(C=O)[C@@H](c3ccccc3)C2)o1 40975848 ZJJVGOQASSMFIB-QGZVFWFLSA-N 264.324 4.284 50 1 CIGF C=C(C=O)CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@@]2(C)CC[C@H]1C 2356736003 XXWGUVZXPHHONT-ZWQIFLOQSA-N 288.431 4.500 50 1 CIGF O=C/C=C/c1ccccc1OCc1ccccc1Cl 40822814 FSZUBILUMMWEML-VMPITWQZSA-N 272.731 4.131 50 1 CIGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 14860800 APALGGYWOOAWLG-GZBFAFLISA-N 299.252 4.214 50 1 CIGF C=C(C=O)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CC(=O)C[C@@H]21 2356736002 XXWGUVZXPHHONT-UTRMSSBJSA-N 288.431 4.500 50 1 CIGF CCCCOC(C)(OCCCC)C(Cl)Cl 103201651 PIIQOGKAUBBZSS-UHFFFAOYSA-N 257.201 4.140 50 1 CIGF C[C@H]1C[C@H](C)CC2(C1)OOC1(C[C@@H](C)C[C@@H](C)C1)OO2 38155660 MGKNQXFITJESCW-XDQVBPFNSA-N 284.396 4.201 50 1 CIGF CCCC[C@H](OC)c1cccc(NC(=O)CCCl)c1 53314032 NUOKKIIXQNFYOH-AWEZNQCLSA-N 283.799 4.132 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc1 587188155 PAHZPIMVTLAPQQ-MDWZMJQESA-N 277.302 4.075 50 1 CIGF Cc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1C 587087860 XFBKWNOIRWPDSI-NSHDSACASA-N 299.187 4.364 50 1 CIGF O=C1c2ccccc2-c2cc(CCl)nc3cccc1c23 587101543 HRMDFSCPSIQYRK-UHFFFAOYSA-N 279.726 4.185 50 1 CIGF O=C(C(Cl)Cl)N1c2ccccc2Oc2ccccc21 653712800 OMJFZRRQGLAWEF-UHFFFAOYSA-N 294.137 4.261 50 1 CIGF C#CC=CC[C@H](Cl)[C@@H](CC=CCC=CCC)OC(C)=O 2356605324 BGGIZUWYKLVLGO-DLBZAZTESA-N 294.822 4.408 50 1 CIGF O=C(Nc1cccc(-c2ccc(F)cc2)c1)C(Cl)Cl 95558582 MOOZULZUWUCAFO-UHFFFAOYSA-N 298.144 4.235 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@H]1CC=C2C#N 224917335 DCGBFOCVEQAFKH-OUUSSWKSSA-N 299.458 4.450 50 1 CIGF ClC[C@H](Cl)c1nc2cc3ccccc3cc2[nH]1 587007086 BFFFVABVWOMUOA-JTQLQIEISA-N 265.143 4.235 50 1 CIGF CCCCC(CCCC)NNC(=O)c1ccc(Cl)cc1 40939887 OSJHGKOIBHPMGG-UHFFFAOYSA-N 296.842 4.323 50 1 CIGF CC1=C(C#N)[C@@H](c2ccccc2)C2=C(O)c3ccccc3C2=N1 20432261 HETPKUBINNOGBZ-QGZVFWFLSA-N 298.345 4.353 50 1 CIGF N#CSCCOc1cccc(Oc2ccccc2)c1 96935377 WQYCDVRRXFMVBC-UHFFFAOYSA-N 271.341 4.072 50 1 CIGF C#CC=CC[C@@H]1OC(CCC)=CC=CC[C@@H]1Cl 2356428382 JTLGNRGWXKSSOM-GJZGRUSLSA-N 250.769 4.202 50 1 CIGF C[C@H](Br)c1nc2cc(Cl)c(Cl)cc2[nH]1 587007555 AIRVSCUOGVLIMH-BYPYZUCNSA-N 293.979 4.326 50 1 CIGF O=C1[C@H](Cl)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 96939297 ODIYXHVCKIEWSA-ZIAGYGMSSA-N 292.165 4.035 50 1 CIGF Cc1ccc(-c2nnc(SSCC(C)C)o2)cc1 1857545481 CYIAMMMKZKCIRO-UHFFFAOYSA-N 280.418 4.441 50 1 CIGF C=C(C)COOC(CCCC)(CCCC)OOC 38158815 TWMITALYEICBHJ-UHFFFAOYSA-N 260.374 4.165 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3C[C@@H]1CC=C2C#N 1772636825 DCGBFOCVEQAFKH-KGUMHCDKSA-N 299.458 4.450 50 1 CIGF O=C(c1coc2ccc(Cl)cc12)C(Cl)Cl 587277851 GBPYXKSDJNODHF-UHFFFAOYSA-N 263.507 4.073 50 1 CIGF COc1ccc(-c2c(SC#N)c3ccccc3n2C)cc1 653861162 QAIQWDCGWIRMPM-UHFFFAOYSA-N 294.379 4.427 50 1 CIGF CC(C)C[C@H]1C[C@@H](Cl)C[C@@H](c2ccc([N+](=O)[O-])cc2)O1 40764039 IKMNAQKCLMVEBF-SNPRPXQTSA-N 297.782 4.468 50 1 CIGF Cc1c([C@@H](C)Br)[nH]c2cc(F)ccc12 587632273 IQCIRISJOMBZGE-SSDOTTSWSA-N 256.118 4.071 50 1 CIGF C=C1C(CCCC)=C(C#N)C(=O)N1c1c(C)cccc1CC 64436345 GNUFAYHGAKQQQF-UHFFFAOYSA-N 294.398 4.428 50 1 CIGF N#CC(=C1CCCC1)c1nc2cc(Cl)ccc2o1 95557655 TZSQHOVOHOLIRR-UHFFFAOYSA-N 258.708 4.332 50 1 CIGF C[C@@H](Cl)CCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280247 PMYMGGQVAVWTQM-SECBINFHSA-N 295.722 4.321 50 1 CIGF C[C@]1(OCCc2ccccc2)CC2(CCCCC2)OO1 95572683 MKIGJQRLOMFVHX-MRXNPFEDSA-N 276.376 4.017 50 1 CIGF C=C(C)[C@@H]1OOC2(O[C@H]1CCC)C1CC3CC(C1)CC2C3 135925476 MMWYGSOBGHMOPP-NNBWVPJWSA-N 292.419 4.231 50 1 CIGF C=CCc1cccc2nc(CCCCBr)[nH]c12 586972486 UDGMPQGEDRLXIO-UHFFFAOYSA-N 293.208 4.009 50 1 CIGF C=C1CC=CC(C)(C)[C@@H]1CC=C(C)[C@H](O)CBr 2356425623 PSLQVGUCVAPCDK-ZIAGYGMSSA-N 299.252 4.237 50 1 CIGF C[C@@H](CCC(=O)Cl)CC(=O)c1coc2ccccc12 587280567 JUGQEVSUAGHNGA-JTQLQIEISA-N 278.735 4.187 50 1 CIGF C[C@H]1CC[C@H](C)C2(C1)OOC1(C[C@@H](C)CC[C@@H]1C)OO2 169334050 BJKXJNIWMOLFCT-WDIQJBNESA-N 284.396 4.201 50 1 CIGF ClCC/C=C/c1ccc(OCCCc2c[nH]cn2)cc1 26471186 UIBUTAKMZYHOEU-DAFODLJHSA-N 290.794 4.063 50 1 CIGF CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C12 40848037 RDQPBBPUCUTPAG-XZDPQHSOSA-N 279.449 4.001 50 1 CIGF S=C=NCCCCSSCCCCN=C=S 85853205 WRUFJWLVOQYPJF-UHFFFAOYSA-N 292.520 4.134 50 1 CIGF endogenous,in-man C#CC=CC[C@H](Cl)[C@H](CC=CC=CCC)OC(C)=O 2356616764 GJNIZHUDNBTUTM-HOTGVXAUSA-N 280.795 4.018 50 1 CIGF CCC=C[C@H](CC)C[C@]1(C)C[C@@H](CC)[C@H](CC(=O)O)OO1 2356700171 ZCLJFHUIADAYRQ-QSJFSLAZSA-N 298.423 4.349 50 1 CIGF C=CC(=C)CC[C@@H](Br)C(C)(C)Cl 73417911 GVQPIFWKCUAHDM-SECBINFHSA-N 251.595 4.290 50 1 CIGF CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1 170152897 QWMIJMAYGIBZKZ-UHFFFAOYSA-N 276.408 4.177 50 1 CIGF C=C[C@@](C)(Cl)[C@H](Cl)C=CC(=CCl)COC(C)=O 2356444405 USCOTGOOWDDFDU-VXGBXAGGSA-N 297.609 4.019 50 1 CIGF Cn1c(-c2ccccc2)c(SC#N)c2ccccc21 653884597 DUMGZFPNMPCJIC-UHFFFAOYSA-N 264.353 4.418 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@H](Cl)C[C@@H]1Br 2356677612 GIKUYJNVOHPPPU-AEJSXWLSSA-N 284.024 4.466 50 1 CIGF Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1C 587187946 MNEUTQQGFIHFPK-XNTDXEJSSA-N 273.339 4.244 50 1 CIGF CCCN1[C@H](C(Cl)Cl)c2ccccc2C[C@H]1C 963228178 KXTSCDQPKGHUEJ-MFKMUULPSA-N 272.219 4.188 50 1 CIGF CC(C)CSSc1nnc(-c2ccccc2)o1 1857566776 NJMOECQNAPAMGM-UHFFFAOYSA-N 266.391 4.133 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccc(N=C=O)c(C)c1 587902055 HCLBROPUEHEEDP-UHFFFAOYSA-N 297.741 4.024 50 1 CIGF Cc1ccccc1Oc1ccc(OCCSC#N)cc1 29544313 HNSOXOOKLDJBRT-UHFFFAOYSA-N 285.368 4.380 50 1 CIGF Fc1ccc2c(C3CC3)c(CBr)[nH]c2c1 587632650 OAPIJYALXHVUIJ-UHFFFAOYSA-N 268.129 4.079 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCCC2)OO1 44146078 WDVITSAYHXCNPO-HNNXBMFYSA-N 294.778 4.361 50 1 CIGF Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)sc1C 73240051 ZWJKMJNCLYQSLQ-XYOKQWHBSA-N 279.368 4.305 50 1 CIGF C/C=C/c1cc(-c2cc(/C=C/C=O)ccc2O)ccc1OC 70454676 BEHBGDLNZRWOEX-GGWOSOGESA-N 294.350 4.313 50 1 CIGF biogenic,in-vitro Fc1ccc2[nH]c(CCl)c(CCl)c2c1Cl 587628970 WXGUYTQKKQWGOM-UHFFFAOYSA-N 266.530 4.438 50 1 CIGF N#C/C(=C\c1ccc[nH]1)c1ccc(Cl)cc1Cl 40587777 WHKRNRXFKVCYHK-RMKNXTFCSA-N 263.127 4.386 50 1 CIGF N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccc[nH]1 95588021 OFAJTPMTMWPUOV-UXBLZVDNSA-N 291.137 4.111 50 1 CIGF COc1cc(C)c2c(c1)C=C[C@@](C)(CCC=C(C)C=O)O2 2356306168 GFYQESKZMOLXKQ-GOSISDBHSA-N 286.371 4.093 50 1 CIGF CCC[C@H](CC)C[C@@]1(C)C=C(CC)[C@H](CC(=O)OC)OO1 2356801278 RLEKSPFSMNQBCP-QRTARXTBSA-N 298.423 4.191 50 1 CIGF CC1=CC[C@@]2(CC1)C(C)=C[C@H](O)[C@@H](Br)C2(C)C 14860792 GBUVGHSRKIJUDI-GZBFAFLISA-N 299.252 4.214 50 1 CIGF CCN(CC)C(=S)SSCc1ccccc1 80232475 LOJROUTWDSGAIU-UHFFFAOYSA-N 271.476 4.195 50 1 CIGF C[C@H](Cl)CCCC(=O)c1coc2ccccc12 587281112 WLTQWYZGFILYQE-JTQLQIEISA-N 250.725 4.413 50 1 CIGF C[C@H]1CC[C@@H](C)CC12OOC1(C[C@H](C)CC[C@@H]1C)OO2 38155670 BJKXJNIWMOLFCT-FVAZMBRWSA-N 284.396 4.201 50 1 CIGF CO[C@]1(c2ccc(F)cc2)C=CC2(CCCCCC2)OO1 38158525 KUZCFGXLRXKCCD-QGZVFWFLSA-N 292.350 4.236 50 1 CIGF O=C(c1cccc(CCl)c1)c1coc2ccccc12 587281172 ZUCUUMDNMRMYOD-UHFFFAOYSA-N 270.715 4.403 50 1 CIGF Cc1cc(Cl)cc2nc([C@H](Cl)CCl)[nH]c12 587008181 LNGCFVPDLLTLMX-SSDOTTSWSA-N 263.555 4.043 50 1 CIGF CCCCCCCCCC/C=N/NC(=O)c1ccncc1 59700793 ZZMDIYFSLOQMAP-CPNJWEJPSA-N 289.423 4.328 50 1 CIGF CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103523935 FHBATFPQIWMZNE-MRXNPFEDSA-N 282.318 4.157 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H]1CC=C2C#N 221263732 DCGBFOCVEQAFKH-SPNSKPFCSA-N 299.458 4.450 50 1 CIGF FC(F)(F)c1cccc2nc([C@@H](Cl)CCl)[nH]c12 587008658 QBLORWNBJNJKJL-LURJTMIESA-N 283.080 4.100 50 1 CIGF C#CC=CC[C@H](OC(C)=O)[C@@H](Cl)CC=CCC=CCC 2356521860 OIYRZXJDSDRVQP-IRXDYDNUSA-N 294.822 4.408 50 1 CIGF CCCCCCCCCOO/C=C/C(C)=C\C(=O)O 238742606 ANGHISRCAOBISZ-FJDRKQEFSA-N 270.369 4.230 50 1 CIGF Cl[C@H]1CCCCc2c1nc1cccc3c1c2CC3 587209784 XLMNWMSJGAXRLS-ZDUSSCGKSA-N 257.764 4.340 50 1 CIGF CC(C)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497175 HKEBCJKKCMGVLM-QGZVFWFLSA-N 292.806 4.164 50 1 CIGF O=[N+]([O-])c1cccc2[nH]c(CCl)c(-c3ccccc3)c12 587644295 SXRHXKPLPVPSDU-UHFFFAOYSA-N 286.718 4.482 50 1 CIGF C=C(C=O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(O)CCC[C@]12C 1911579974 QWFVSVXRYUNUEX-BSDSXHPESA-N 276.420 4.045 50 1 CIGF Cc1oc(=O)c(Cc2cccc3ccccc23)cc1CCl 29310001 KVZLCUZSWARLES-UHFFFAOYSA-N 298.769 4.431 50 1 CIGF C=C(c1ccccc1)[C@]1(C)COC2(CCCCC2)OO1 43226396 UKAVYKXYZARYFC-INIZCTEOSA-N 274.360 4.097 50 1 CIGF CCC[C@@]1(CCl)c2c(F)cccc2C[C@H]2CCCN21 963115427 WSGZTQXHHPGGKO-CZUORRHYSA-N 281.802 4.080 50 1 CIGF C#C/C=C\C[C@@H](Cl)[C@H]1CC=C(Cl)C=C[C@@H](CC)O1 145398164 QJPVCDSENWMPQB-FADBMSBDSA-N 285.214 4.420 50 1 CIGF CCO/C(C)=C(/C#N)c1nc(-c2ccc(F)cc2)cs1 587922682 SASKDLADOXDYSJ-RAXLEYEMSA-N 288.347 4.240 50 1 CIGF CC(/C=C/C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=O 95635575 NZCSCAGBYIYATR-UXBHNABYSA-N 282.383 4.448 50 1 CIGF in-vitro C#CC=CC[C@@H]1CCCC=C[C@@H](Br)[C@@H](CC)O1 2356538696 NDQADFJKKHDIGT-RBSFLKMASA-N 297.236 4.233 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(CC(=O)OC)c2c1 587639131 NVLQVISYTCAWGD-SNVBAGLBSA-N 293.794 4.136 50 1 CIGF C#CC=CC[C@H](OC)[C@H](Cl)CC=CCC=CCC 2356752806 SXDPOPPCSZAMMI-CVEARBPZSA-N 266.812 4.491 50 1 CIGF C=C(c1cccc2ccccc12)[C@@H]1COC2(CCCC2)OO1 43511387 YYNWYOCJEMEDOV-SFHVURJKSA-N 296.366 4.470 50 1 CIGF CC(C)Cc1ccccc1[C@H]1C[C@]2(C)CCO[C@@H]2OO1 72114409 OTKLDQFHUCWEJA-ZACQAIPSSA-N 276.376 4.031 50 1 CIGF CSC(SC)=C(C#N)/C(O)=N/c1ccc(Cl)cc1 1858360 AXYGHGGSYOXSPF-UHFFFAOYSA-N 298.820 4.389 50 1 CIGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 96939290 KQILSYUJKWFMGU-KGLIPLIRSA-N 292.165 4.035 50 1 CIGF C=C1[C@H](O)C[C@H](Br)C(C)(C)[C@]12CC=C(C)CC2 2356797246 NRWRUUSXBXVUDU-IPYPFGDCSA-N 299.252 4.214 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587188695 VVPGHAGPYSDKEM-XYOKQWHBSA-N 279.730 4.280 50 1 CIGF O=CC1=CC=C(c2cccs2)C[C@H]1c1ccccc1 40980697 DLAHKJYQPUZKGR-INIZCTEOSA-N 266.365 4.444 50 1 CIGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C[C@H]2CCCC[C@H]21 195355484 KYPONAADTFFCCW-YRGRVCCFSA-N 268.473 4.156 50 1 CIGF C=C1C[C@@H](O)[C@H](Br)C(C)(C)[C@]12CC=C(C)CC2 13379275 APALGGYWOOAWLG-IPYPFGDCSA-N 299.252 4.214 50 1 CIGF CCc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587087127 MBHTWAQTFGWTJW-LLVKDONJSA-N 299.187 4.309 50 1 CIGF N#C/C=C/C12c3ccccc3C(C[C@H]1C#N)c1ccccc12 103229333 CKEQHIRKMMPUIF-FILQKMMMSA-N 282.346 4.041 50 1 CIGF CC(=O)Nc1ccc(C=C(C#N)c2ccc(C)cc2)cc1 1857626324 JCUOFOOLBKWBKD-UHFFFAOYSA-N 276.339 4.018 50 1 CIGF C/C1=C\[C@@H]2O/C(=C/C=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1 238741454 PKSXHCDSAQSRBC-UKSLFWOESA-N 260.377 4.187 50 1 CIGF C=CCCCCCCC=CCC#CC#CC=CC=O 2356492260 YYLRGBUNZYXRJR-UHFFFAOYSA-N 254.373 4.221 50 1 CIGF ClCCc1ccccc1CC1=NCCc2ccccc21 5836282 VQWVEPMEROOCED-UHFFFAOYSA-N 283.802 4.056 50 1 CIGF CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1 170152904 ZRNFFKTXFYQLAV-UHFFFAOYSA-N 276.408 4.177 50 1 CIGF O=Cc1ccc2c(c1)c1ccccc1n2CCCCl 1857606045 QASROVIOVBXEOR-UHFFFAOYSA-N 271.747 4.236 50 1 CIGF CC=Cc1cc(-c2cc(C=CC=O)ccc2O)ccc1OC 2356597266 BEHBGDLNZRWOEX-UHFFFAOYSA-N 294.350 4.313 50 1 CIGF C#CC=CC[C@@H](O)[C@H](Cl)CC=CCCCCC 2356622175 AOXCWBBZUQCCEG-HUUCEWRRSA-N 254.801 4.061 50 1 CIGF C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@](C)(N=C=S)[C@@H]2C1 2356448642 KKOPPOVHLGSDFF-UGUYLWEFSA-N 279.449 4.145 50 1 CIGF C=C[C@](C)(Cl)[C@@H](Cl)/C=C/C(=C\Cl)COC(C)=O 13451380 USCOTGOOWDDFDU-LYVADHDKSA-N 297.609 4.019 50 1 CIGF CCC[C@H](CC)C[C@@]1(C)C=C(CC)[C@@H](CC(=O)OC)OO1 2356801277 RLEKSPFSMNQBCP-LXZKKBNFSA-N 298.423 4.191 50 1 CIGF C[C@@H]1C[C@@H](C)CC2(C1)OOC1(C[C@H](C)C[C@@H](C)C1)OO2 299804863 MGKNQXFITJESCW-AAVRWANBSA-N 284.396 4.201 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 587187749 KPQABBRWHQQLAU-UVTDQMKNSA-N 296.333 4.175 50 1 CIGF O=C1[C@H](Cl)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 96939298 ODIYXHVCKIEWSA-KGLIPLIRSA-N 292.165 4.035 50 1 CIGF COc1cc(OC)cc(/C(C#N)=C/c2ccccc2Cl)c1 1772608447 WGOHBFHUJIHFGK-VGOFMYFVSA-N 299.757 4.421 50 1 CIGF COc1cccc2c1-c1c(OC)cccc1SS2 1865021 SQTYIYFPTCTKIO-UHFFFAOYSA-N 276.382 4.484 50 1 CIGF c1ccc(SSc2n[nH]c(-c3ccccc3)n2)cc1 103213052 PDXQUAIVDMLLSC-UHFFFAOYSA-N 285.397 4.271 50 1 CIGF CC1(C)CCC2(CC1)OOC1(CCC(C)(C)CC1)OO2 38155674 RDJICQBJWSYNGD-UHFFFAOYSA-N 284.396 4.489 50 1 CIGF Cc1cc(C)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1 587086615 FJQMYJQKLYICQF-NSHDSACASA-N 299.187 4.364 50 1 CIGF C[C@@]1(CCCCl)c2ccc(F)cc2C[C@@H]2CCCN21 963102442 KEOSLSVQVTUSTO-GOEBONIOSA-N 281.802 4.080 50 1 CIGF C=C(C)[C@]1(O)CC[C@@]2(C)CCC[C@@](C)(N=C=S)[C@@H]2C1 40392596 KKOPPOVHLGSDFF-FPCVCCKLSA-N 279.449 4.145 50 1 CIGF C=CCSS/C=C/C[S@@](=O)Cc1ccccc1 40975784 NZWIGPOPFHIAFK-BHMZLHOFSA-N 284.471 4.016 50 1 CIGF CCCCC1(CCCC)C[C@H](COC)[C@@](C)(OC)OO1 103287411 AUBGIBJFMXUAES-CABCVRRESA-N 288.428 4.083 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3cc(C)c(F)cc3[nH]2)cc1 587188813 XBUHOLMXDMYOSI-ZSOIEALJSA-N 291.329 4.383 50 1 CIGF CC/C=C/[C@H](CC)C[C@@]1(C)C[C@H](CC)[C@H](CC(=O)O)OO1 56874367 ZCLJFHUIADAYRQ-FHRVQPQHSA-N 298.423 4.349 50 1 CIGF in-vitro C[C@H](Cl)CCCC(=O)c1coc2cc(C#N)ccc12 587278635 URLOAHBMCMXZBB-JTQLQIEISA-N 275.735 4.285 50 1 CIGF O=[N+]([O-])c1ccc2c(-c3ccccc3)c(CCl)[nH]c2c1 587643655 IHAZCCMMVDHQFU-UHFFFAOYSA-N 286.718 4.482 50 1 CIGF FC(F)(F)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008339 NWUNFWIWUACHBE-LURJTMIESA-N 283.080 4.100 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@H](Br)[C@@H](CC)O1 2356425373 KQEYHIDELOKBAL-QLFBSQMISA-N 295.220 4.009 50 1 CIGF CC1=CC[C@H]2C[C@@H]1OO[C@@]2(C)CSc1ccccc1 38148279 LZJLQLVYXVPNDB-BPUTZDHNSA-N 276.401 4.224 50 1 CIGF C[C@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H](C)CC[C@@H]1C)OO2 38155673 BJKXJNIWMOLFCT-GZROQKPMSA-N 284.396 4.201 50 1 CIGF C=C[C@](C)(Cl)[C@@H](Cl)C=CC(=CCl)COC(C)=O 2356444404 USCOTGOOWDDFDU-RYUDHWBXSA-N 297.609 4.019 50 1 CIGF CO[C@@]1(c2ccc(Cl)cc2)C=CC2(CCCCC2)OO1 38158554 FDLDTSGRMHABKW-INIZCTEOSA-N 294.778 4.360 50 1 CIGF C#CC=CC[C@@H](Cl)[C@@H](CC=CCC=CCC)OC(C)=O 2356605325 BGGIZUWYKLVLGO-IAGOWNOFSA-N 294.822 4.408 50 1 CIGF Fc1cccc2[nH]c(CCCCl)c(CCCl)c12 587632392 BARZYVWYBHGBLY-UHFFFAOYSA-N 274.166 4.260 50 1 CIGF CC1=CC[C@@]2(C)C(=C(C)C(=O)[C@@H](Cl)[C@@H]2C)CC1 85772407 JLPKHJCHSNYJEA-CORIIIEPSA-N 252.785 4.266 50 1 CIGF CCCc1c(O)ccc2c1O[C@@](CCl)(CCC)CC2=O 587459308 ODMHRXHKITVBAZ-INIZCTEOSA-N 296.794 4.088 50 1 CIGF CCC[C@@]1(CCl)c2c(F)cccc2C[C@@H]2CCCN21 963115431 WSGZTQXHHPGGKO-XJKSGUPXSA-N 281.802 4.080 50 1 CIGF CCCc1c(O)ccc2c1O[C@](C)(CCCCl)CC2=O 587460023 KRXVZDOHTDDYGM-MRXNPFEDSA-N 296.794 4.088 50 1 CIGF C=C1C[C@@](C)(/C=C/Cl)[C@@H](Cl)C[C@H]1Br 85776381 GIKUYJNVOHPPPU-DXQGWMINSA-N 284.024 4.466 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587188694 VVPGHAGPYSDKEM-WQLSENKSSA-N 279.730 4.280 50 1 CIGF C[C@H]1CCC2(OOC3(CC[C@@H](C)C[C@H]3C)OO2)[C@@H](C)C1 38158038 OXRKVZOFEOJFMN-WYUYUUCSSA-N 284.396 4.201 50 1 CIGF C/C1=C\[C@@H]2O/C(=C\C=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1 238749678 PKSXHCDSAQSRBC-OSBPMVPCSA-N 260.377 4.187 50 1 CIGF CCCN1[C@H](C)Cc2ccccc2[C@@H]1C(Cl)Cl 963228180 KXTSCDQPKGHUEJ-ZWNOBZJWSA-N 272.219 4.188 50 1 CIGF CC(=O)O[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C 195467876 VJMCHCTZFDFTKS-NQBHXWOUSA-N 286.488 4.478 50 1 CIGF Cc1ccc(C)c2[nH]c([C@H](Br)C(C)(C)F)nc12 587087512 QZFQAXPKMLPNQS-NSHDSACASA-N 299.187 4.364 50 1 CIGF N#CC(=C1C=CC(=NO)C(Cl)=C1)c1ccc(Cl)cc1 1857623250 KASFVGQOBYGUEY-UHFFFAOYSA-N 291.137 4.140 50 1 CIGF C1=C[C@@H](C2CCCCC2)OO[C@H]1C1CCCCC1 38158606 FHZKJEALBYTFSV-IYBDPMFKSA-N 250.382 4.402 50 1 CIGF CC(=O)N(/N=N/c1cccc(F)c1)c1cccc(F)c1 72179389 SCMQGSLDPPZFHC-ISLYRVAYSA-N 275.258 4.017 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(OC)c2c1 587638683 IPEUAGGXHBAPFP-SECBINFHSA-N 251.757 4.429 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 587187432 GTDCNUVYTPDCAC-WDZFZDKYSA-N 297.720 4.420 50 1 CIGF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@H]1CC=C(C)C=O 2356380944 WGXJWFWMLXWYDD-RDGPPVDQSA-N 290.447 4.293 50 1 CIGF C1CCC2(CC1)CC1(OO2)C2CC3CC(C2)CC1C3 43587323 OABPPMUZQJEDOU-UHFFFAOYSA-N 262.393 4.236 50 1 CIGF C=C1CC[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC=C(C)C=O 2356380943 WGXJWFWMLXWYDD-AKHDSKFASA-N 290.447 4.293 50 1 CIGF CCCCC[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356795690 MJEHAEMJSSYWDC-SQWLQELKSA-N 286.412 4.025 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2cccc(Cl)c2[nH]1 587188171 PIGAGIRJPHZRHJ-FMIVXFBMSA-N 279.730 4.280 50 1 CIGF CCCCC(CCCC)NNC(=O)c1ccccc1Cl 40938750 ZCRVIYULMASNDU-UHFFFAOYSA-N 296.842 4.323 50 1 CIGF Cc1cc(Cl)cc2nc([C@@H](Cl)CCl)[nH]c12 587008184 LNGCFVPDLLTLMX-ZETCQYMHSA-N 263.555 4.043 50 1 CIGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(O)c3ccccc3C2=N1 20432263 HETPKUBINNOGBZ-KRWDZBQOSA-N 298.345 4.353 50 1 CIGF C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C(\C)C=O 84668992 VIBIHOWJZCXZNF-WUWWUOSASA-N 290.447 4.291 50 1 CIGF CC/C=C/[C@@H](CC)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)O)OO1 56874362 ZCLJFHUIADAYRQ-BBSYFARCSA-N 298.423 4.349 50 1 CIGF in-vitro C[C@H]1C[C@@H](C)CC2(C1)OOC1(C[C@H](C)C[C@@H](C)C1)OO2 38155661 MGKNQXFITJESCW-SYQHCUMBSA-N 284.396 4.201 50 1 CIGF CCC(CC)=C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 103181047 GOVFQCDSTVKPLC-NSHDSACASA-N 290.794 4.157 50 1 CIGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC=C(C)[C@@H](O)C2 199705696 RYEOAMGBDUNXFU-YDHLFZDLSA-N 299.252 4.214 50 1 CIGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@@](C)(N=C=S)[C@H]2CC1=O 2356644643 ODUZQPVIXXXOEL-KNCOVGOOSA-N 277.433 4.065 50 1 CIGF CC(C)=CCC=C(C)[C@@H]1CC=C(C=O)[C@@H]1[C@@H]1C(=O)C=C[C@H]1C 2356578234 KBIFEWXOEUXJBY-LQJIQPLVSA-N 298.426 4.442 50 1 CIGF C[C@H](Br)C(=O)c1coc2ccc(Cl)cc12 587276139 KIYVBCBPTQHWOU-LURJTMIESA-N 287.540 4.052 50 1 CIGF CCC=C(C)C=Cc1cc(=O)cc(C(Cl)Cl)o1 2356714906 AEFPQCAIXWXPSX-UHFFFAOYSA-N 273.159 4.486 50 1 CIGF S=C=Nc1ccc2oc(-c3ccc(Cl)nc3)nc2c1 28090821 CQWITTYWQBRBQE-UHFFFAOYSA-N 287.731 4.278 50 1 CIGF CC[C@H](C)N(C(=O)CCl)C(=C(C)C)c1ccccc1 103188252 NTECLXIGIZKDNN-ZDUSSCGKSA-N 279.811 4.303 50 1 CIGF C=C/C=C/C[C@H]1O[C@](C)([C@@H](C)Br)CC[C@H]1C 13379515 ZVQZUFIAWREUOG-BPVHDBKBSA-N 287.241 4.476 50 1 CIGF CC(C)(C)c1ccc2nc(/C=C/CBr)[nH]c2c1 586972885 CKIJIROUEYAURQ-SNAWJCMRSA-N 293.208 4.269 50 1 CIGF S=C=Nc1ccc2oc(-c3cccs3)nc2c1 28012525 BWXDQXUHRQAXFG-UHFFFAOYSA-N 258.327 4.291 50 1 CIGF O=C1c2ccccc2-c2cc(CCCl)nc3cccc1c23 587103429 HLUYKKMQCYDXSN-UHFFFAOYSA-N 293.753 4.228 50 1 CIGF C[C@H]1CCCC2(OOC3(CCC[C@@H](C)[C@@H]3C)OO2)[C@@H]1C 58677891 QXZXNDWDTSFLEL-GZROQKPMSA-N 284.396 4.201 50 1 CIGF O=C(CCBr)c1coc2ccc(Cl)cc12 587275640 CSOREJXXTRQOKT-UHFFFAOYSA-N 287.540 4.054 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@@H](Cl)C[C@@H]1Br 2356677614 GIKUYJNVOHPPPU-GUBZILKMSA-N 284.024 4.466 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c([C@H](Cl)C(=O)OC)c(C)c2c1 587638975 LPXVBZLYLMKOCT-OTYXRUKQSA-N 293.794 4.443 50 1 CIGF C=C1C[C@](c2ccccc2)([C@H](Cl)c2ccccc2)OC1=O 1911576353 OYOTZSLGJBBROB-AEFFLSMTSA-N 298.769 4.365 50 1 CIGF S=C=Nc1ccc2oc(-c3ccccc3)nc2c1 28014415 XADRRABEMVOCFL-UHFFFAOYSA-N 252.298 4.229 50 1 CIGF C=C[C@@](C)(Cl)[C@@H](Cl)C=CC(=CCl)COC(C)=O 2356444403 USCOTGOOWDDFDU-NWDGAFQWSA-N 297.609 4.019 50 1 CIGF C=CCc1cc(-c2cc(C=CC=O)ccc2O)ccc1OC 2356739516 GZEHOGWVYRVLOJ-UHFFFAOYSA-N 294.350 4.008 50 1 CIGF C=C1CC=CC(C)(C)[C@H]1C/C=C(\C)[C@@H](O)CBr 31457779 PSLQVGUCVAPCDK-DUYRLRNSSA-N 299.252 4.237 50 1 CIGF N#C/C(=C\c1ccc(F)cc1)c1nc2cc(Cl)ccc2[nH]1 53295565 OGYQLQAFRKTYGL-YRNVUSSQSA-N 297.720 4.420 50 1 CIGF O=C=Nc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278486 OPJOPVRHFXJPJW-UHFFFAOYSA-N 297.697 4.285 50 1 CIGF C[C@]12CC[C@@H]3[C@H]4CCC(C#N)=CC4=CC[C@H]3[C@@H]1CCC2=O 95553858 SHRXYKPUPSZJSM-ATIFRJIPSA-N 281.399 4.188 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c([C@@H](Cl)C(=O)OC)c(C)c2c1 587638977 LPXVBZLYLMKOCT-YMTOWFKASA-N 293.794 4.443 50 1 CIGF C/C=C/CCCCCCC/C=N/NC(=O)c1ccncc1 5833088 PDGIAJUWZYAWQT-QXHFRNOBSA-N 287.407 4.104 50 1 CIGF c1ccc2[nH]c(SSC3CCCC3)nc2c1 95596858 XSOKDCYWAQPFME-UHFFFAOYSA-N 250.392 4.246 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3cc(C)cc(F)c3[nH]2)cc1 587188146 OWXDOUGBSWZMKW-NTEUORMPSA-N 291.329 4.383 50 1 CIGF COc1ccc(Cl)cc1C#Cc1cccc(N=C=S)c1 587919243 WADCXLGOUICOAM-UHFFFAOYSA-N 299.782 4.483 50 1 CIGF N#Cc1ccc2c(C(=O)c3cccc(CCl)c3)coc2c1 587278913 WRWNBYVYVOQGBG-UHFFFAOYSA-N 295.725 4.274 50 1 CIGF N#CSCCOc1ccccc1Oc1ccccc1 1857592445 KAKQHCOIVHFXCI-UHFFFAOYSA-N 271.341 4.072 50 1 CIGF CC1=C(C#N)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N1 103523662 BBQHZKFFSHWZMC-MRXNPFEDSA-N 282.318 4.157 50 1 CIGF C=C1C[C@](C)(/C=C/Cl)[C@@H](Br)C[C@H]1Cl 85855715 GVMODESZHUSDQY-GVQKYEPPSA-N 284.024 4.466 50 1 CIGF C=C1C[C@](C)(Cl)[C@H](Br)C[C@H]1C=CCl 2356480756 PHJVUZPRYAGZPD-BBBLOLIVSA-N 284.024 4.466 50 1 CIGF C[C@@H]1CC[C@](C)([C@@H](C)Br)O[C@H]1CC=CCl 2356766625 RPUPJNLDKRSQRY-WISYIIOYSA-N 295.648 4.486 50 1 CIGF COC(C)(C)OOCCCC1=CC[C@H]2C[C@@H]1C2(C)C 38158516 KTUFXCGXXJPFFZ-KBPBESRZSA-N 268.397 4.090 50 1 CIGF BrC/C=C\c1nc2cc3ccccc3cc2[nH]1 586974177 RZSIPZIFBLZRMA-UTCJRWHESA-N 287.160 4.124 50 1 CIGF CC[C@@H]1C[C@@](C=CCC(C)C)(CC)OO[C@@H]1CC(=O)OC 2356430851 SCTUFRCXFQMBTG-INMHGKMJSA-N 298.423 4.047 50 1 CIGF CCCC[C@]1(OC)OO[C@](C)(CCCC)C[C@@H]1COC 103287416 PXQBCBXJYIYONW-OAGGEKHMSA-N 288.428 4.083 50 1 CIGF CC(=C(C#N)C#N)c1ccc2cc(N(C)CC[18F])ccc2c1 101928943 IAVCEBMLYVGBLA-AWDFDDCISA-N 292.348 4.066 50 1 CIGF Cc1c(Cl)ccc2nc([C@H](Cl)CCl)[nH]c12 587008304 NJBMOSWELSVUFH-SSDOTTSWSA-N 263.555 4.043 50 1 CIGF C=CC(=C)CC[C@H](Br)C(C)(C)Br 1637276 UKGJPTUUIZABLR-VIFPVBQESA-N 296.046 4.446 50 1 CIGF O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 96939295 ODIYXHVCKIEWSA-UONOGXRCSA-N 292.165 4.035 50 1 CIGF C=C1CC[C@H](Br)C(C)(C)[C@]12C=C[C@](C)(O)CC2 2356805215 ZPXZRBRFEQGHLR-QEJZJMRPSA-N 299.252 4.214 50 1 CIGF CC(C)=CC/C=C(/C)[C@@H]1CC=C(C=O)[C@@H]1[C@H]1C(=O)C=C[C@H]1C 140488473 KBIFEWXOEUXJBY-XIZOXFOKSA-N 298.426 4.442 50 1 CIGF Cc1ccc2c3c(cc(CCl)nc13)-c1ccccc1C2=O 586993039 HLKGYARBHMMLAZ-UHFFFAOYSA-N 293.753 4.493 50 1 CIGF C[C@@]1(C(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587498815 OTWWNWUXXYDWNE-HNNXBMFYSA-N 299.197 4.093 50 1 CIGF CC1=C[C@@H]2OC(=CC=O)[C@H](C)[C@H]2CCC(C)=CCC1 2356416301 PKSXHCDSAQSRBC-INMHGKMJSA-N 260.377 4.187 50 1 CIGF Cc1c(CBr)[nH]c2cc(Cl)c(F)cc12 587628433 SQKSDBBBFIPIJA-UHFFFAOYSA-N 276.536 4.164 50 1 CIGF CC1=C[C@@H]2[C@H](C(C)C)CC[C@](C)(N=C=S)[C@H]2CC1=O 2356644642 ODUZQPVIXXXOEL-FQLMCAECSA-N 277.433 4.065 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3cc(F)c(F)cc3[nH]2)cc1 587186988 AFGAPJLJVHFFJM-SDQBBNPISA-N 295.292 4.214 50 1 CIGF C=C(c1ccccc1)[C@H]1CCOC2(CCCCC2)OO1 43620396 UTAGZIXEUBRYKH-MRXNPFEDSA-N 274.360 4.097 50 1 CIGF CN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1ccc(N=C=S)cc13 100642644 BNMGAKYFGHEJFA-RYQLBKOJSA-N 298.455 4.109 50 1 CIGF Fc1c(Cl)cc2nc([C@@H](Cl)CCl)[nH]c2c1F 587007537 FMKDBLZKXMUHEK-BYPYZUCNSA-N 285.508 4.013 50 1 CIGF C[C@@H](CCC(=O)c1coc2ccccc12)CC(=O)Cl 587280755 XQWQZUOCNZDWSH-JTQLQIEISA-N 278.735 4.187 50 1 CIGF Cc1c(CCCCl)[nH]c2cc(Cl)c(F)cc12 587628672 RNOMLNVHOGMYBO-UHFFFAOYSA-N 260.139 4.440 50 1 CIGF N#C/C(=C\c1ccc2[nH]ccc2c1)c1nc2ccccc2[nH]1 299869381 UPBSONJEOIZRER-GXDHUFHOSA-N 284.322 4.108 50 1 CIGF CC(C)N(C(C)C)[P@](=O)(Cl)Oc1ccco1 103294064 WLPXTRYBZDTJME-INIZCTEOSA-N 265.677 4.124 50 1 CIGF CN1CC[C@@]23CCCC[C@H]2[C@H]1Cc1ccc(N=C=S)cc13 164492788 BNMGAKYFGHEJFA-JQHSSLGASA-N 298.455 4.109 50 1 CIGF CC(C)=CCC=C(C)[C@@H]1CC=C(C=O)[C@@H]1[C@@H]1C(=O)C=C[C@@H]1C 2356578235 KBIFEWXOEUXJBY-UHMOLFJZSA-N 298.426 4.442 50 1 CIGF C#C/C=C\C[C@@H](Cl)[C@@H](C/C=C\C=C\CC)OC(C)=O 42920646 GJNIZHUDNBTUTM-KQKJQOFJSA-N 280.795 4.018 50 1 CIGF C=C1CC=CC(C)(C)[C@H]1C/C=C(/C)[C@H](O)CBr 5132225 PSLQVGUCVAPCDK-LPEQCFEDSA-N 299.252 4.237 50 1 CIGF CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(N=C=S)[C@@H]2CC1=O 40379768 ODUZQPVIXXXOEL-IXYNUQLISA-N 277.433 4.065 50 1 CIGF N#C/C(=C\c1ccncc1)c1ccc(Cl)c(Cl)c1 169323264 MQXBLXGEFSQNSR-KPKJPENVSA-N 275.138 4.453 50 1 CIGF N#CSCCOc1cccc(Sc2ccccc2)c1 1857645201 UTXJDMVQDSBJEQ-UHFFFAOYSA-N 287.409 4.431 50 1 CIGF CC1=CC[C@H](Br)C(C)(C)[C@@]12C=C[C@@](C)(O)CC2 2356405388 RUOAEAYZGJNGQV-NWANDNLSSA-N 299.252 4.214 50 1 CIGF CC(C)(C)c1ccc(/C(C#N)=C/c2ccc[nH]2)cc1 34633210 VIXUSGAOCLPRMQ-SDNWHVSQSA-N 250.345 4.376 50 1 CIGF C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@@](C)(N=C=S)[C@H]2C1 2356448641 KKOPPOVHLGSDFF-JONQDZQNSA-N 279.449 4.145 50 1 CIGF ClCCN(CCCl)c1ccc(C=C2C=CC=C2)cc1 1736153 BLSSIVQTQFZSGZ-UHFFFAOYSA-N 294.225 4.480 50 1 CIGF C=C1C[C@@](C)(/C=C/Cl)[C@H](Br)C[C@@H]1Cl 238743308 GVMODESZHUSDQY-RPYIUOHFSA-N 284.024 4.466 50 1 CIGF C=C1[C@H](C)CC=C(C)[C@]12CC[C@](C)(O)[C@@H](Br)C2 2356792505 JUGPSBMRDAHGGH-SDJAHQOYSA-N 299.252 4.214 50 1 CIGF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC=C(C)C=O 2356549212 VIBIHOWJZCXZNF-YWTNHNAXSA-N 290.447 4.291 50 1 CIGF C=CC(=C)CC[C@H](Br)C(C)(C)Cl 1637277 GVQPIFWKCUAHDM-VIFPVBQESA-N 251.595 4.290 50 1 CIGF Cc1ccc2c(c1)O[C@@]1(CBr)CC[C@]2(C)[C@H]1C 197288299 LDXBZFDDINOBEE-KCPJHIHWSA-N 295.220 4.209 50 1 CIGF C=CCc1cc(-c2cc(/C=C/C=O)ccc2O)ccc1OC 28971122 GZEHOGWVYRVLOJ-GQCTYLIASA-N 294.350 4.008 50 1 CIGF C[C@H]1CCCC2(OOC3(CCC[C@@H](C)[C@H]3C)OO2)[C@H]1C 38155648 QXZXNDWDTSFLEL-WYUYUUCSSA-N 284.396 4.201 50 1 CIGF C[C@H](Br)[C@]1(C)CC[C@@H](C)[C@@H](C/C=C/Cl)O1 238774475 RPUPJNLDKRSQRY-QJBXBYQYSA-N 295.648 4.486 50 1 CIGF C[C@H]1CCCC2(OOC3(CCC[C@@H](C)[C@H]3C)OO2)[C@@H]1C 299804925 QXZXNDWDTSFLEL-ABSAPSEKSA-N 284.396 4.201 50 1 CIGF Cc1cc(C)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 587086614 FJQMYJQKLYICQF-LLVKDONJSA-N 299.187 4.364 50 1 CIGF Cc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1C 587086642 FUPHJWRLUHTVOE-NSHDSACASA-N 299.187 4.364 50 1 CIGF CCC[C@H](CC)C[C@]1(C)C=C(CC)[C@@H](CC(=O)OC)OO1 2356801279 RLEKSPFSMNQBCP-YSVLISHTSA-N 298.423 4.191 50 1 CIGF C/C=C/C#CC#CC/C=C\CCCCC/C=C/C=O 238780055 NOWARHAZBDFDNT-MATCRPGMSA-N 254.373 4.221 50 1 CIGF O=C(c1ccccc1CCl)c1coc2ccccc12 587281108 VZYHBDGXZHNWRH-UHFFFAOYSA-N 270.715 4.403 50 1 CIGF C[C@H]1CCC2(OOC3(CC[C@@H](C)C[C@@H]3C)OO2)[C@@H](C)C1 38158040 OXRKVZOFEOJFMN-NSXQWPTKSA-N 284.396 4.201 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 587187745 KPQABBRWHQQLAU-GXDHUFHOSA-N 296.333 4.175 50 1 CIGF CC=CC#CC#CCC=CCCCCCC=CC=O 2356625466 NOWARHAZBDFDNT-UHFFFAOYSA-N 254.373 4.221 50 1 CIGF S=C=Nc1cc(Cl)c2oc(-c3cccnc3)nc2c1 28022436 GNEKOTPLYIRSQQ-UHFFFAOYSA-N 287.731 4.278 50 1 CIGF C=C1CCCC(C)(C)[C@H]1C/C=C(C=O)\C=C(/C)OC(C)=O 238760944 JLVLVOITZSLHPU-TWYJLFGSSA-N 290.403 4.351 50 1 CIGF Cl[C@@H]1CCCCc2c1nc1cccc3c1c2CC3 587209783 XLMNWMSJGAXRLS-CYBMUJFWSA-N 257.764 4.340 50 1 CIGF CC[C@H](C)c1ccc2[nH]c([C@H](Cl)C(=O)OC)c(C)c2c1 587638976 LPXVBZLYLMKOCT-XPTSAGLGSA-N 293.794 4.443 50 1 CIGF CC[C@H](CCl)NC(=O)Nc1ccc(C(C)(C)C)cc1 27559306 GRCFWNDTKTXPDV-GFCCVEGCSA-N 282.815 4.123 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3cc(F)cc(F)c3[nH]2)cc1 587187351 FIETUEMSIIDLHH-WUXMJOGZSA-N 295.292 4.214 50 1 CIGF N#CC1=C(Cl)c2ccc(-c3cccs3)nc2CC1 1857563208 ARPFRHBFSVPTGK-UHFFFAOYSA-N 272.760 4.230 50 1 CIGF C=C1C(C)=C(C#N)C(=O)N1c1ccccc1-c1ccccc1 64426430 APKRGMYGCWDVRH-UHFFFAOYSA-N 286.334 4.054 50 1 CIGF CSc1cnc2ccccc2c1SCC#CCCl 103277435 IBADPBRNVCZFED-UHFFFAOYSA-N 293.844 4.291 50 1 CIGF CCc1ccc(C2OOC(c3cccc(C)c3)OO2)cc1 43024947 CHUNWIVYYNFJGE-UHFFFAOYSA-N 286.327 4.165 50 1 CIGF O=C(c1ccc(CCl)cc1)c1coc2ccccc12 587280895 HDGXIVQZNMSDDV-UHFFFAOYSA-N 270.715 4.403 50 1 CIGF COc1ccc(-c2[nH]c3ccccc3c2SC#N)cc1 653861160 PTOSOBNLSMTVQC-UHFFFAOYSA-N 280.352 4.417 50 1 CIGF N[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1 1772623621 KMZXDKFYIFLKNO-IUCAKERBSA-N 277.233 4.240 50 1 CIGF C#CC=CC[C@H](O)[C@@H](Cl)CC=CCCCCC 2356622174 AOXCWBBZUQCCEG-GJZGRUSLSA-N 254.801 4.061 50 1 CIGF O=C1C[C@@]2(CCC[C@@H]2Cl)Oc2c1ccc1c2CCCC1 587503072 WPGWHXFHDHTNOW-DOTOQJQBSA-N 290.790 4.061 50 1 CIGF CC1=CC[C@H]2C[C@H]1OO[C@@]2(C)CSc1ccccc1 101478868 LZJLQLVYXVPNDB-IMJJTQAJSA-N 276.401 4.224 50 1 CIGF C=C1[C@H](O)C[C@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 2356797249 NRWRUUSXBXVUDU-VNHYZAJKSA-N 299.252 4.214 50 1 CIGF CCc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1 1772611248 MGSJITSDFDBFSX-RQZCQDPDSA-N 293.366 4.330 50 1 CIGF COc1ccc(Cl)cc1C#Cc1ccc(CCl)cc1 587906201 UTAHKKUDZOBLKL-UHFFFAOYSA-N 291.177 4.487 50 1 CIGF C[C@H](Br)c1nc2ccc(C(C)(C)C)cc2[nH]1 587009322 ZXQXKFYVHNCJCF-QMMMGPOBSA-N 281.197 4.316 50 1 CIGF Cc1ccc(C)c2[nH]c(/C(C#N)=C\c3ccccc3)nc12 587186951 BIWXNPXEJGJGGW-GDNBJRDFSA-N 273.339 4.244 50 1 CIGF O=C(Nc1cccc(-c2cccc(F)c2)c1)C(Cl)Cl 95561694 PZCQEYMAZHBQLG-UHFFFAOYSA-N 298.144 4.235 50 1 CIGF S=C=Nc1ccc(-c2noc(-c3cccs3)n2)cc1 28244132 NKXPWXLMDJZDCD-UHFFFAOYSA-N 285.353 4.199 50 1 CIGF O=CC1=CC=C(c2ccccc2)C[C@H]1c1ccccc1 40424940 VDWGQJBPYJTETH-IBGZPJMESA-N 260.336 4.383 50 1 CIGF Cc1ccc(C)c2[nH]c(/C(C#N)=C/c3ccccc3)nc12 587186952 BIWXNPXEJGJGGW-XNTDXEJSSA-N 273.339 4.244 50 1 CIGF C[C@@H](Cl)C(=O)N1c2ccccc2Oc2ccccc21 653699940 SSHOFOONPCLYHU-SNVBAGLBSA-N 273.719 4.084 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 587188530 SDZXMPJCHMOUOK-SDNWHVSQSA-N 296.333 4.175 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCCCC2)OO1 43099856 IOZSFHGACKDNAU-OAHLLOKOSA-N 294.778 4.361 50 1 CIGF CC1(C)CCCCC12OOC1(CCCCC1(C)C)OO2 43676581 NNAKZGYDRMLWTN-UHFFFAOYSA-N 284.396 4.489 50 1 CIGF COc1ccc(SSC(=S)N2CCCCC2)cc1 1857633605 XYEMWADILFXKJP-UHFFFAOYSA-N 299.486 4.206 50 1 CIGF CCC=C[C@H](CC)C[C@]1(C)C[C@@H](CC)[C@@H](CC(=O)O)OO1 2356700168 ZCLJFHUIADAYRQ-KLZNWCGWSA-N 298.423 4.349 50 1 CIGF Cc1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1C 587087859 XFBKWNOIRWPDSI-LLVKDONJSA-N 299.187 4.364 50 1 CIGF Cc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1C 587187945 MNEUTQQGFIHFPK-GDNBJRDFSA-N 273.339 4.244 50 1 CIGF CCC=C[C@H](CC)C[C@]1(C)C[C@H](CC)[C@@H](CC(=O)O)OO1 2356700169 ZCLJFHUIADAYRQ-LJIGWXMPSA-N 298.423 4.349 50 1 CIGF CCOc1c(CCl)[nH]c2c(C)cc(Cl)cc12 587623829 QWLILUCRUKKZSI-UHFFFAOYSA-N 258.148 4.267 50 1 CIGF CCCCC[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356795688 MJEHAEMJSSYWDC-IIAWOOMASA-N 286.412 4.025 50 1 CIGF ClC[C@@H](Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587007241 BMKSZWDVAMNKGG-ZCFIWIBFSA-N 283.973 4.388 50 1 CIGF Cc1ccc(/C=C(/C#N)c2nc3ccc(F)c(F)c3[nH]2)cc1 587188948 YXQUPTWZCPANBZ-WQLSENKSSA-N 295.292 4.214 50 1 CIGF CCC[C@H](Br)c1cc2ccccc2c(=O)o1 40892241 BNDFUMBCPAVEHN-NSHDSACASA-N 281.149 4.029 50 1 CIGF C=CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl 103284910 CLSMTCBMTXFTGF-OXFRDRNISA-N 298.213 4.038 50 1 CIGF Cc1ccc([S@@](=O)[C@H](C)[C@@H](Cl)c2ccccc2)cc1 105352490 GJQTXBIGYCOOQE-VVFCZOMOSA-N 292.831 4.471 50 1 CIGF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(CCCl)c2c1 587638662 HRPDLBXGUKTXLC-JTQLQIEISA-N 293.794 4.249 50 1 CIGF CC(C)(C)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587007532 FIGSANXQDQIHKA-SECBINFHSA-N 271.191 4.379 50 1 CIGF CC(C)(C)c1cccc2nc([C@@H](Cl)CCl)[nH]c12 587008433 OSCDZKJZQHPOCS-VIFPVBQESA-N 271.191 4.379 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)CO 2356531957 OPTVCEJJRRFTRJ-ZHALLVOQSA-N 290.447 4.293 50 1 CIGF CCC[C@@H](Br)c1cc2ccccc2c(=O)o1 40892242 BNDFUMBCPAVEHN-LLVKDONJSA-N 281.149 4.029 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 587188528 SDZXMPJCHMOUOK-KAMYIIQDSA-N 296.333 4.175 50 1 CIGF O=C1C[C@@H](CCCCCl)Oc2c1ccc1c2CCCC1 587497935 LMUYPKHTGFVJPR-CYBMUJFWSA-N 292.806 4.308 50 1 CIGF Cc1ccc(-c2nc3cc(N=C=S)ccc3o2)o1 28086897 JVXYRLHUONKFHQ-UHFFFAOYSA-N 256.286 4.131 50 1 CIGF CC1(C)C[C@](C)(OCC23CC4CC(CC(C4)C2)C3)OO1 95574049 GEKQWIRZGCPIEX-QUZGTJOHSA-N 280.408 4.066 50 1 CIGF Cc1c([C@@H](C)Br)[nH]c2cccc(F)c12 587632243 HTDPDLJNYXGXOP-SSDOTTSWSA-N 256.118 4.071 50 1 CIGF N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccc[nH]1 169329420 OFAJTPMTMWPUOV-POHAHGRESA-N 291.137 4.111 50 1 CIGF CC1=CC[C@@H]2C[C@@H]1OO[C@@]2(C)CSc1ccccc1 101478864 LZJLQLVYXVPNDB-KBMXLJTQSA-N 276.401 4.224 50 1 CIGF CC(C)COP(=O)(CCCN=C=S)OCC(C)C 1857744010 ZBJWYTODUJUZGP-UHFFFAOYSA-N 293.369 4.018 50 1 CIGF C=C[C@]1(O)C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)CC1 621431347 OMJXLADRJJBNKH-UKRRQHHQSA-N 268.473 4.034 50 1 CIGF C[C@H]1CC[C@H](C)C2(C1)OOC1(C[C@H](C)CC[C@@H]1C)OO2 38155671 BJKXJNIWMOLFCT-NSXQWPTKSA-N 284.396 4.201 50 1 CIGF CC[C@@H]1C[C@@](C=CCC(C)C)(CC)OO[C@H]1CC(=O)OC 2356430852 SCTUFRCXFQMBTG-VYDXJSESSA-N 298.423 4.047 50 1 CIGF N#C/C(=C\c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 587189134 YLWXNACOYYOYSU-IZZDOVSWSA-N 297.720 4.420 50 1 CIGF CCCN1[C@@H](C)Cc2ccccc2[C@H]1C(Cl)Cl 963228169 KXTSCDQPKGHUEJ-GWCFXTLKSA-N 272.219 4.188 50 1 CIGF Cc1c(F)ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587187706 JXXNRYQKWMKQAN-LCYFTJDESA-N 277.302 4.075 50 1 CIGF COc1ccc(Cl)cc1C#Cc1cccc(CCl)c1 587904282 HKHSKGBTGILSFB-UHFFFAOYSA-N 291.177 4.487 50 1 CIGF C=C(c1ccc2ccccc2c1)[C@H]1COC2(CCCC2)OO1 44018076 JIYMLTSPQJWRKD-GOSISDBHSA-N 296.366 4.470 50 1 CIGF C[C@H](Br)c1nc2ccc(C(F)(F)F)cc2[nH]1 587009316 ZVBXOTJYPXAQHP-YFKPBYRVSA-N 293.086 4.038 50 1 CIGF ClCCN(CCCl)c1cccc2ccccc12 1769229 DVESMTJIFHRQLJ-UHFFFAOYSA-N 268.187 4.124 50 1 CIGF O=C(Nc1cccc(-c2cccs2)c1)C(Cl)Cl 95563068 SEOUXGOZDLBEOE-UHFFFAOYSA-N 286.183 4.157 50 1 CIGF CC1=CC[C@]2(CC1)C(C)=C[C@@H](O)[C@H](Br)C2(C)C 13379268 GBUVGHSRKIJUDI-IPYPFGDCSA-N 299.252 4.214 50 1 CIGF C[C@H]1CCC2(C[C@@H]1C)OOC1(CC[C@@H](C)[C@@H](C)C1)OO2 169371118 OGYDLVVSZHHAIO-NSXQWPTKSA-N 284.396 4.201 50 1 CIGF CCO[C@@H]1CCC(C)=CCCC(C=O)=C[C@@H]2C[C@]21C 2356413816 BBHMZQWNAKKPBE-BRWVUGGUSA-N 262.393 4.063 50 1 CIGF CCCc1c(O)ccc2c1O[C@](CC)(CCCl)CC2=O 587460198 LHBCYBNRYHHJPC-MRXNPFEDSA-N 296.794 4.088 50 1 CIGF N#CSCCOc1ccc(Oc2ccc(F)cc2)cc1 28824642 ZAMMCFGUIHLIEJ-UHFFFAOYSA-N 289.331 4.211 50 1 CIGF Cc1cccc(-c2cccc(NC(=O)C(Cl)Cl)c2)c1 95559867 BHPNRUQRAODSCW-UHFFFAOYSA-N 294.181 4.404 50 1 CIGF N#CSCc1c2ccccc2nc2ccccc12 1772609796 KRDKMXVEXNLZAU-UHFFFAOYSA-N 250.326 4.102 50 1 CIGF CCCC[C@@]1(C)C[C@H](COC)[C@](CCCC)(OC)OO1 103287415 PXQBCBXJYIYONW-OWCLPIDISA-N 288.428 4.083 50 1 CIGF C#C/C=C/C[C@H](O)[C@@H](Cl)C/C=C\CCCCC 85600000 AOXCWBBZUQCCEG-IOJBQIIYSA-N 254.801 4.061 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@@H](Cl)C[C@H]1Br 2356677615 GIKUYJNVOHPPPU-UTLUCORTSA-N 284.024 4.466 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCCCC2)OO1 43099852 IOZSFHGACKDNAU-HNNXBMFYSA-N 294.778 4.361 50 1 CIGF CC(C)CSSc1nnc(-c2ccc(F)cc2)o1 1857595783 UGIVOYGOQJOQQT-UHFFFAOYSA-N 284.381 4.272 50 1 CIGF O=CC1=CC=C(c2ccccc2)C[C@@H]1c1ccccc1 40424942 VDWGQJBPYJTETH-LJQANCHMSA-N 260.336 4.383 50 1 CIGF N#C/C(=C1/C=C[C@H](N=O)C(Cl)=C1)c1ccc(Cl)cc1 169691926 IGCJVLRGGAHXDY-WONIAPNHSA-N 291.137 4.445 50 1 CIGF CC1=CC[C@H](Br)C(C)(C)[C@]12C=C[C@@](C)(O)CC2 2356405387 RUOAEAYZGJNGQV-CFVMTHIKSA-N 299.252 4.214 50 1 CIGF C=C1C[C@@](c2ccccc2)([C@@H](Cl)c2ccccc2)OC1=O 1911576354 OYOTZSLGJBBROB-FUHWJXTLSA-N 298.769 4.365 50 1 CIGF CCCC[C@]1(C)C[C@@](C)(OCCc2ccccc2)OO1 95577025 DLVXBBXGLMUYIT-SJORKVTESA-N 278.392 4.263 50 1 CIGF C[C@H]1CC[C@H](C)C2(C1)OOC1(C[C@@H](C)CC[C@H]1C)OO2 169334048 BJKXJNIWMOLFCT-KJKRZNOVSA-N 284.396 4.201 50 1 CIGF N#Cc1ccc2c(C(=O)c3ccccc3CCl)coc2c1 587278973 YDEGLYOAVIQINB-UHFFFAOYSA-N 295.725 4.274 50 1 CIGF C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3C[C@H]1CC=C2C#N 1772636824 DCGBFOCVEQAFKH-KGENQRSRSA-N 299.458 4.450 50 1 CIGF CC(=O)Nc1cnc(SSc2ccc(C)cc2)s1 1857636740 HEEYMMQJUOBXFN-UHFFFAOYSA-N 296.442 4.209 50 1 CIGF CC(C)C=CC=CC=CC(O)=CC(=O)C(Cl)Cl 2356626049 IOXKLGKZTBEEEP-UHFFFAOYSA-N 275.175 4.126 50 1 CIGF CC[C@H](C)c1ccc(NC(=O)N[C@H](CC)CCl)cc1 27556396 RJABMAHTTGBEHI-WCQYABFASA-N 282.815 4.339 50 1 CIGF CC[C@H](C)SSc1nc2ccc([N+](=O)[O-])cc2[nH]1 95595275 GKOFVQMAKBQPDS-ZETCQYMHSA-N 283.378 4.010 50 1 CIGF CCOc1c(CCl)[nH]c2ccc(F)c(Cl)c12 587628692 SHCHYUUBMAWHLK-UHFFFAOYSA-N 262.111 4.098 50 1 CIGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CO 14493480 OPTVCEJJRRFTRJ-PSMDKKMZSA-N 290.447 4.293 50 1 CIGF C=C(c1ccccc1)N(C(=O)CCl)c1ccccc1C 103197228 CAUNHBNCFRJIOM-UHFFFAOYSA-N 285.774 4.238 50 1 CIGF N#Cc1ccc2c(C(=O)CCCCCCl)coc2c1 587279081 ZIGXTONEXFYVFY-UHFFFAOYSA-N 275.735 4.286 50 1 CIGF C[C@H]1C[C@@H](C)CC2(C1)OOC1(C[C@@H](C)C[C@@H](C)C1)OO2 38155659 MGKNQXFITJESCW-WYUYUUCSSA-N 284.396 4.201 50 1 CIGF Cc1ccc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)cc1 103288128 MHQOIEWKBNOIDG-JOZWUWCOSA-N 293.838 4.163 50 1 CIGF O=C(c1coc2ccc(Cl)cc12)[C@@H](Cl)CCl 587279221 YYHAMRHSNXVHPB-VIFPVBQESA-N 277.534 4.115 50 1 CIGF COC(C)(C)OOCCCCC1=CC[C@H]2C[C@@H]1C2(C)C 38158519 SWYOVYAZXHTMGA-GJZGRUSLSA-N 282.424 4.480 50 1 CIGF CCCCCC[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1 653821004 GYVWYFYXKHKTRG-OFQRWUPVSA-N 286.412 4.327 50 1 CIGF N#CSCCOc1ccc(Nc2ccccc2)cc1 27311242 FOVWJBFTCCUKRC-UHFFFAOYSA-N 270.357 4.023 50 1 CIGF C=C1CC[C@H](Br)C(C)(C)[C@]12C=C[C@@](C)(O)CC2 2356805211 ZPXZRBRFEQGHLR-CFVMTHIKSA-N 299.252 4.214 50 1 CIGF C=C1C[C@](C)(/C=C/Cl)[C@H](Cl)C[C@@H]1Br 145905750 GIKUYJNVOHPPPU-FPSIUDEGSA-N 284.024 4.466 50 1 CIGF C=C1C[C@](C)(Cl)[C@@H](Br)C[C@@H]1C=CCl 2356480757 PHJVUZPRYAGZPD-GUBZILKMSA-N 284.024 4.466 50 1 CIGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12CC=C(C)CC2 14860798 APALGGYWOOAWLG-UMVBOHGHSA-N 299.252 4.214 50 1 CIGF biogenic,in-vitro O=C(Nc1cccc(-c2ccsc2)c1)C(Cl)Cl 95560935 LNQVXXUDHPRDBF-UHFFFAOYSA-N 286.183 4.157 50 1 CIGF C[C@H]1CC2(CC[C@H]1C)OOC1(CC[C@H](C)[C@H](C)C1)OO2 38155663 OGYDLVVSZHHAIO-GZROQKPMSA-N 284.396 4.201 50 1 CIGF C1CCC2(CC1)CCOC1(OO2)C2CC3CC(C2)CC1C3 42965520 ZTLMSFSAKIEXGW-UHFFFAOYSA-N 292.419 4.210 50 1 CIGF C[C@@H](Br)C(=O)c1coc2ccc(Cl)cc12 587276140 KIYVBCBPTQHWOU-ZCFIWIBFSA-N 287.540 4.052 50 1 CIGF C=CCSSc1nc2ccc(Cl)cc2o1 1772618719 VMPUEIAYIXVZTG-UHFFFAOYSA-N 257.767 4.408 50 1 CIGF CC1=CC[C@@H]2C[C@H]1OO[C@@]2(C)CSc1ccccc1 38148280 LZJLQLVYXVPNDB-BMFZPTHFSA-N 276.401 4.224 50 1 CIGF O=C(NCCCl)Nc1ccc(C2CCCCC2)cc1 27754573 VMDXHKXFGPEXDL-UHFFFAOYSA-N 280.799 4.095 50 1 CIGF Cc1cc(F)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587188583 UBAAHUOESRXVOA-LCYFTJDESA-N 277.302 4.075 50 1 CIGF CN1CC[C@]23CCCC[C@@H]2[C@@H]1Cc1ccc(N=C=S)cc13 100642640 BNMGAKYFGHEJFA-BPQIPLTHSA-N 298.455 4.109 50 1 CIGF CCc1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587087129 MBHTWAQTFGWTJW-NSHDSACASA-N 299.187 4.309 50 1 CIGF CSSc1cccc2cccc(COC(C)=O)c12 27703659 PRXJKNLUFIJNDJ-UHFFFAOYSA-N 278.398 4.273 50 1 CIGF CCCCCC1(CCCCC)OOCCCOO1 43278535 GRYYYGMONPWJFB-UHFFFAOYSA-N 260.374 4.143 50 1 CIGF Fc1cc2c(CCCl)c(CCl)[nH]c2cc1Cl 587629084 ZTODGZJFLDAZLB-UHFFFAOYSA-N 280.557 4.481 50 1 CIGF C#C/C=C\[C@@H]1/C=C\C/C=C\C[C@H](Br)[C@@H](CC)O1 238772377 KQEYHIDELOKBAL-QMRJKOCLSA-N 295.220 4.009 50 1 CIGF ClCC#CCSc1cnc2ccccc2c1Cl 103277434 VFJKPWHYABYECZ-UHFFFAOYSA-N 282.195 4.223 50 1 CIGF Cc1cccc(C)c1NNC(=O)c1ccc(C(C)(C)C)cc1 653737384 KXNXKSGWQARISF-UHFFFAOYSA-N 296.414 4.358 50 1 CIGF C=C(c1ccc(Cl)cc1)[C@@]1(C)COC2(CCCC2)OO1 43099880 YYCWWYFXIGMSSG-OAHLLOKOSA-N 294.778 4.361 50 1 CIGF Br[C@@H]1CCCc2c1nc1cccc3c1c2CC3 587209402 OYAUANVQVVMSBH-GFCCVEGCSA-N 288.188 4.106 50 1 CIGF C=CCc1c(CCl)[nH]c2cc(Cl)c(F)cc12 587628622 OUPMHKFFZCDQAS-UHFFFAOYSA-N 258.123 4.428 50 1 CIGF Cc1ccc2c(c1)O[C@@]1(CBr)[C@@H](C)CC[C@@]21C 13370982 YQQJZGHNUOBYEG-CQDKDKBSSA-N 295.220 4.209 50 1 CIGF C#CC=CC[C@@H](Cl)[C@H](CC=CC=CCC)OC(C)=O 2356616763 GJNIZHUDNBTUTM-CVEARBPZSA-N 280.795 4.018 50 1 CIGF C#CC=CC[C@H](OC)[C@@H](Cl)CC=CCC=CCC 2356752807 SXDPOPPCSZAMMI-HOTGVXAUSA-N 266.812 4.491 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C=O 2356708899 HFTMAWAUKKDXCR-ZHALLVOQSA-N 288.431 4.500 50 1 CIGF C=CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@H](C)Cl 103284908 CLSMTCBMTXFTGF-KFRNIWOLSA-N 298.213 4.038 50 1 CIGF C[C@]1(CCCCl)c2ccc(F)cc2C[C@H]2CCCN21 963102445 KEOSLSVQVTUSTO-ZBFHGGJFSA-N 281.802 4.080 50 1 CIGF C#CC=C[C@@H]1C=CCC=CC[C@@H]([C@H](Br)CC)O1 2356670099 ZVDYTGRFTGJTLL-KFWWJZLASA-N 295.220 4.009 50 1 CIGF N#CSc1c(-c2ccccc2)[nH]c2ccccc12 138586447 TWIJTEGZJPYJLY-UHFFFAOYSA-N 250.326 4.408 50 1 CIGF C=C(c1cccc2ccccc12)[C@@H]1CCOC(C)(C)OO1 44145919 ITWPLPQBNKTBNL-KRWDZBQOSA-N 284.355 4.326 50 1 CIGF O=C(CCl)Nc1ccc(/N=N\c2ccccc2)cc1 102721231 GZRJHDPHDCWZFA-ZCXUNETKSA-N 273.723 4.279 50 1 CIGF O=C(Cl)c1ccc(C(=O)c2coc3ccccc23)s1 587280918 IKMTXNLBMYRSMR-UHFFFAOYSA-N 290.727 4.104 50 1 CIGF C[C@@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587496884 GQWBTCVZWLMWEF-QGZVFWFLSA-N 292.806 4.308 50 1 CIGF CC1=C[C@@H]2OC(=CC=O)[C@@H](C)[C@H]2CCC(C)=CCC1 2356416302 PKSXHCDSAQSRBC-UXLLHSPISA-N 260.377 4.187 50 1 CIGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(OC(C)=O)c2c1 587639438 WEVFBAJVRHVBOP-SECBINFHSA-N 279.767 4.346 50 1 CIGF CCC[C@]1(CCl)c2c(F)cccc2C[C@@H]2CCCN21 963115424 WSGZTQXHHPGGKO-BBRMVZONSA-N 281.802 4.080 50 1 CIGF CC/C=C/[C@H](CC)C[C@@]1(C)C[C@@H](CC)[C@@H](CCO)OO1 44053424 WUWNQYAMHUWBKI-JKVRWEBCSA-N 284.440 4.257 50 1 CIGF O=c1occ(CCl)cc1Cc1cccc2ccccc12 29250940 PQTSRBJNDRDDRF-UHFFFAOYSA-N 284.742 4.123 50 1 CIGF COc1ccc(-c2[nH]c3ccccc3c2C=C(C#N)C#N)cc1 35088786 KGKWNULLCCJCPE-UHFFFAOYSA-N 299.333 4.274 50 1 CIGF N#C/C(=C\c1cccc2cnccc12)c1n[nH]c2ccccc12 1857764726 JQQYYDGDIXFXOZ-XNTDXEJSSA-N 296.333 4.175 50 1 CIGF C=C1C(CCCC)=C(C#N)C(=O)N1c1c(C)cccc1C 64417003 IBJMLJTYEXNUGL-UHFFFAOYSA-N 280.371 4.174 50 1 CIGF CC1=CC(=O)[C@H](C)[C@]23CC[C@@]2(C)[C@@H](Br)C[C@]13C 166770081 YTKSDNZBVKIQLM-HWKXDMQWSA-N 297.236 4.112 50 1 CIGF C=C1CC=CC(C)(C)[C@H]1CC=C(C)[C@@H](O)CBr 2356425620 PSLQVGUCVAPCDK-KBPBESRZSA-N 299.252 4.237 50 1 CIGF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CCl 587208778 APWZKRJPVZPWBK-UHFFFAOYSA-N 295.769 4.445 50 1 CIGF CC(C)(C)c1ccc2nc(/C=C\CBr)[nH]c2c1 586972884 CKIJIROUEYAURQ-PLNGDYQASA-N 293.208 4.269 50 1 CIGF Oc1ccc(-c2[nH]c3cc(F)ccc3c2CCCl)cc1 587633197 UMZZPDSWFNZZCJ-UHFFFAOYSA-N 289.737 4.461 50 1 CIGF C=C1C(C(C)C)=C(C#N)C(=O)N1c1c(C)cccc1C(C)C 35941110 RXMWKPAWKIZVAO-UHFFFAOYSA-N 294.398 4.455 50 1 CIGF CC(C)(C)c1cccc2nc(/C=C\CBr)[nH]c12 586972742 ASPHTKFLFNIKKK-YVMONPNESA-N 293.208 4.269 50 1 CIGF CC(C)(C)c1cccc2nc([C@H](Cl)CCl)[nH]c12 587008431 OSCDZKJZQHPOCS-SECBINFHSA-N 271.191 4.379 50 1 CIGF CCC(C)(C)[C@@]1(CCl)NCCc2c1sc(C)c2C 963016856 CPMFTRYIFMEJOZ-HNNXBMFYSA-N 285.884 4.381 50 1 CIGF CCCC[C@]1(C)C[C@](C)(OCCc2ccccc2)OO1 95577027 DLVXBBXGLMUYIT-IAGOWNOFSA-N 278.392 4.263 50 1 CIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C(Cl)C=C[C@@H](CC)O1 2356755748 QJPVCDSENWMPQB-ILXRZTDVSA-N 285.214 4.420 50 1 CIGF Cc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Cl 587008352 NZBRKNWVLZYOOT-SSDOTTSWSA-N 263.555 4.043 50 1 CIGF CCO[C@@H]1CCC(C)=CCCC(C=O)=C[C@H]2C[C@@]21C 2356413815 BBHMZQWNAKKPBE-BBWFWOEESA-N 262.393 4.063 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3ccc(F)c(F)c3[nH]2)cc1 587188950 YXQUPTWZCPANBZ-XYOKQWHBSA-N 295.292 4.214 50 1 CIGF C[C@H]1CCC2(OOC3(CC[C@H](C)C[C@@H]3C)OO2)[C@@H](C)C1 38158041 OXRKVZOFEOJFMN-WDIQJBNESA-N 284.396 4.201 50 1 CIGF C=C1C(CC)=C(C#N)C(=O)N1c1ccccc1C(C)(C)C 64245810 OTPWMYBSUGRNAV-UHFFFAOYSA-N 280.371 4.075 50 1 CIGF CC[C@@H](C)SSc1nc2ccc([N+](=O)[O-])cc2[nH]1 95595274 GKOFVQMAKBQPDS-SSDOTTSWSA-N 283.378 4.010 50 1 CIGF C[C@@]1(CCCCl)c2ccc(F)cc2C[C@H]2CCCN21 963102437 KEOSLSVQVTUSTO-GDBMZVCRSA-N 281.802 4.080 50 1 CIGF CC(=O)OC=CC(C=O)=CCC=C(C)CCC=C(C)C 2356585160 FIOIRGMGQAVDRU-UHFFFAOYSA-N 276.376 4.271 50 1 CIGF Clc1ccc(C2OOC3(CCCCCC3)OO2)cc1 43606410 HXOJHZBFJAUBES-UHFFFAOYSA-N 284.739 4.299 50 1 CIGF COc1ccc(/C(Cl)=C(\C=O)c2ccc(F)cc2)cc1 1617202 DADGKXVUMYDSAA-NXVVXOECSA-N 290.721 4.140 50 1 CIGF COc1cc2sc(-c3cccnc3)nc2cc1N=C=S 28107901 YMNQQVHITFNVGP-UHFFFAOYSA-N 299.380 4.101 50 1 CIGF C=C(c1ccc(C)cc1)[C@H]1COC2(CCCCC2)OO1 43099872 VFVVAOMPQYIZPW-MRXNPFEDSA-N 274.360 4.016 50 1 CIGF C[C@H]1CCC2(OOC3(CC[C@@H](C)C[C@@H]3C)OO2)[C@H](C)C1 299812282 OXRKVZOFEOJFMN-GZROQKPMSA-N 284.396 4.201 50 1 CIGF CCOP(=O)(OCC)[C@@H](N=C=S)c1ccccc1 72106436 KVCRANKXJNIDIQ-GFCCVEGCSA-N 285.305 4.054 50 1 CIGF N#C/C(=C/c1ccccc1)c1nc2cccc(Cl)c2[nH]1 587188172 PIGAGIRJPHZRHJ-XFXZXTDPSA-N 279.730 4.280 50 1 CIGF O=C=Nc1cccc(C(=O)c2coc3ccc(Cl)cc23)c1 587277841 FXSFLVBCUSJFSX-UHFFFAOYSA-N 297.697 4.285 50 1 CIGF CO[C@@]1(c2ccccc2)C=CC2(CCCCCC2)OO1 38158556 PICBSKIARMMKNB-KRWDZBQOSA-N 274.360 4.097 50 1 CIGF CCCCCCCC[Si](COC)(OCC)OCC 238809142 KOBDZVDJBCNOED-UHFFFAOYSA-N 276.493 4.048 50 1 CIGF CCOP(=O)(OCC)[C@H](N=C=S)c1ccccc1 72106435 KVCRANKXJNIDIQ-LBPRGKRZSA-N 285.305 4.054 50 1 CIGF Cc1c(CBr)[nH]c2c(C)cc(Cl)cc12 587623452 HOQYXYNYKJNJNZ-UHFFFAOYSA-N 272.573 4.333 50 1 CIGF C=C1[C@H](C)CC=C(C)[C@]12CC[C@@](C)(O)[C@H](Br)C2 2356792503 JUGPSBMRDAHGGH-JUDXGUMMSA-N 299.252 4.214 50 1 CIGF N#C/C(=C\c1ccc(CO)o1)c1ccc(Cl)c(Cl)c1 84742558 FJGDSOMSQFMYBQ-BJMVGYQFSA-N 294.137 4.143 50 1 CIGF C=C[C@@]1(O)C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)CC1 621431346 OMJXLADRJJBNKH-HIFRSBDPSA-N 268.473 4.034 50 1 CIGF C=C1C(CCC)=C(C#N)C(=O)N1c1c(C)cccc1CC 64491772 UOXJBGDBTAAMNC-UHFFFAOYSA-N 280.371 4.038 50 1 CIGF C=CCSSC=CC[S@@](=O)Cc1ccccc1 1857623325 NZWIGPOPFHIAFK-QGZVFWFLSA-N 284.471 4.016 50 1 CIGF C=CCc1cccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 587188369 QWZVBXFBHPGUAI-VBKFSLOCSA-N 285.350 4.356 50 1 CIGF C#CC=CC[C@@H](OC(C)=O)[C@H](Cl)CC=CCC=CCC 2356521859 OIYRZXJDSDRVQP-IAGOWNOFSA-N 294.822 4.408 50 1 CIGF Cc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Cl 587008354 NZBRKNWVLZYOOT-ZETCQYMHSA-N 263.555 4.043 50 1 CIGF Cc1c(Cl)ccc2nc([C@@H](Cl)CCl)[nH]c12 587008305 NJBMOSWELSVUFH-ZETCQYMHSA-N 263.555 4.043 50 1 CIGF C=C1C(C)=C(C#N)C(=O)N1c1ccc(-c2ccccc2)cc1 64510595 BOKKCWNBHMYQFN-UHFFFAOYSA-N 286.334 4.054 50 1 CIGF CC(C)C=C[C@H]1O[C@]1(C)C1CCC(C)(N=C=S)CC1 2356480623 KDUAXUPCJBAPHQ-GYTBAZASSA-N 279.449 4.408 50 1 CIGF CCc1[nH]c2ccc(F)c(Cl)c2c1CCCl 587627950 CRRHIOWCRCAICQ-UHFFFAOYSA-N 260.139 4.304 50 1 CIGF Cc1ccc(-n2nc(-c3ccccc3)cc2C(=O)Cl)cc1 958517086 WKXCNEJOOCWWSA-UHFFFAOYSA-N 296.757 4.227 50 1 CIGF N#C/C(=C1/C=C[C@@H](N=O)C(Cl)=C1)c1ccc(Cl)cc1 169691925 IGCJVLRGGAHXDY-IEZBTEQYSA-N 291.137 4.445 50 1 CIGF C#CC=CC[C@H](Cl)[C@@H]1CC=C(Cl)C=C[C@H](CC)O1 2356755749 QJPVCDSENWMPQB-KKUMJFAQSA-N 285.214 4.420 50 1 CIGF CC(OCCc1ccccc1)=C(C#N)c1ccccc1 2356333741 VTPOEKGEWKZBSQ-UHFFFAOYSA-N 263.340 4.200 50 1 CIGF CC1=CC[C@@]2(C)C(=C(C)[C@@H](O)[C@H](Br)[C@@H]2C)CC1 13379778 IQWBLQKYJOBMDF-ZGKBOVNRSA-N 299.252 4.214 50 1 CIGF O=C(Cl)c1cccc(C(=O)c2coc3ccccc23)c1 587280622 NIPPHVMTRQBIJB-UHFFFAOYSA-N 284.698 4.043 50 1 CIGF C=C1CC=CC(C)(C)[C@@H]1C/C=C(\C)[C@H](O)CBr 33940285 PSLQVGUCVAPCDK-XCEACWERSA-N 299.252 4.237 50 1 CIGF Cc1ccc(C2=CC=C(C=O)[C@H](c3ccccc3)C2)o1 40975846 ZJJVGOQASSMFIB-KRWDZBQOSA-N 264.324 4.284 50 1 CIGF Cc1cc(F)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587188584 UBAAHUOESRXVOA-UKTHLTGXSA-N 277.302 4.075 50 1 CIGF CCC[C@]1(CCl)c2c(F)cccc2C[C@H]2CCCN21 963115426 WSGZTQXHHPGGKO-CJNGLKHVSA-N 281.802 4.080 50 1 CIGF O=C1C[C@@H](Br)c2c(Cl)sc(Cl)c21 5851549 QXJHUKYIQBIUGT-UWTATZPHSA-N 285.977 4.077 50 1 CIGF C[C@@H](Oc1ccccc1/C=C/C=O)c1ccccc1 29483628 ZROTWZLCSDZTAC-DPQIITEBSA-N 252.313 4.039 50 1 CIGF C=C1C(CC)=C(C#N)C(=O)N1c1c(C)cccc1C(C)C 64409156 CWZBZJWQFMMRNH-UHFFFAOYSA-N 280.371 4.209 50 1 CIGF C=C(C=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12 238766676 XXWGUVZXPHHONT-OAOYMFHYSA-N 288.431 4.500 50 1 CIGF O=C(O)c1cccc2c(-c3ccccc3)c(CCl)[nH]c12 587637554 CNFVNYRLCYFCPA-UHFFFAOYSA-N 285.730 4.272 50 1 CIGF C#CC=CC[C@@H](Cl)[C@@H](CC=CC=CCC)OC(C)=O 2356616765 GJNIZHUDNBTUTM-HZPDHXFCSA-N 280.795 4.018 50 1 CIGF N#CC(C(=O)c1ccc(Cl)cc1)=C1SCCCS1 40670028 RXIRCNCJRZITLD-UHFFFAOYSA-N 295.816 4.128 50 1 CIGF CC1=C[C@@H]2OC(=CC=O)[C@H](C)[C@@H]2CCC(C)=CCC1 2356416303 PKSXHCDSAQSRBC-VYDXJSESSA-N 260.377 4.187 50 1 CIGF C=CC(=C)CC[C@@H](Br)C(C)(C)Br 73353057 UKGJPTUUIZABLR-SECBINFHSA-N 296.046 4.446 50 1 CIGF C=C1C(CCCC)=C(C#N)C(=O)N1c1c(C)cc(C)cc1C 64380899 PVKVLGCFVNJJEY-UHFFFAOYSA-N 294.398 4.483 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@@H](Br)C[C@@H]1Cl 2356601019 GVMODESZHUSDQY-GUBZILKMSA-N 284.024 4.466 50 1 CIGF C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@](C)(N=C=S)[C@H]2C1 2356448643 KKOPPOVHLGSDFF-VGWMRTNUSA-N 279.449 4.145 50 1 CIGF C#C/C=C\C[C@H](O)[C@@H](Cl)C/C=C\CCCCC 13386433 AOXCWBBZUQCCEG-UBWXKAQDSA-N 254.801 4.061 50 1 CIGF CC(C)=CCC=C(C)[C@@H]1CC=C(C=O)[C@@H]1[C@H]1C(=O)C=C[C@H]1C 2356578237 KBIFEWXOEUXJBY-VUBSUSDNSA-N 298.426 4.442 50 1 CIGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CC[C@]1(C)O[C@@H]1C2 5665185 VPLRWHUXYUWXPS-UXOAXIEHSA-N 299.252 4.454 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@H](Br)C[C@H]1Cl 2356601018 GVMODESZHUSDQY-BBBLOLIVSA-N 284.024 4.466 50 1 CIGF CC/C=C/[C@@H](CC)C[C@@]1(C)C[C@H](CC)[C@H](CC(=O)O)OO1 56874364 ZCLJFHUIADAYRQ-JMUJDXFESA-N 298.423 4.349 50 1 CIGF in-vitro N#C/C(=C\c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 587187431 GTDCNUVYTPDCAC-IZZDOVSWSA-N 297.720 4.420 50 1 CIGF C[C@]1(CCCCl)c2ccc(F)cc2C[C@@H]2CCCN21 963102444 KEOSLSVQVTUSTO-HOCLYGCPSA-N 281.802 4.080 50 1 CIGF C=CC=CC[C@@H]1O[C@](C)([C@@H](C)Br)CC[C@H]1C 2356497809 ZVQZUFIAWREUOG-MQYQWHSLSA-N 287.241 4.476 50 1 CIGF ClCCCc1ccccc1C1=NCCc2ccccc21 1650699 IKNFTZBABLMERQ-UHFFFAOYSA-N 283.802 4.252 50 1 CIGF C=CCCCCCC/C=C\CC#CC#C/C=C/C=O 205837904 YYLRGBUNZYXRJR-WXYFSRDHSA-N 254.373 4.221 50 1 CIGF C=C(c1ccc2ccccc2c1)[C@@H]1COC2(CCCC2)OO1 44018074 JIYMLTSPQJWRKD-SFHVURJKSA-N 296.366 4.470 50 1 CIGF Fc1ccc(-c2nc(-c3ccc(N=C=S)cc3)no2)cc1 28241674 HSCIGAQIYNKHMR-UHFFFAOYSA-N 297.314 4.277 50 1 CIGF C=C[C@](C)(Cl)[C@H](Cl)C=CC(=CCl)COC(C)=O 2356444402 USCOTGOOWDDFDU-NEPJUHHUSA-N 297.609 4.019 50 1 CIGF C[C@H](CCC(=O)c1coc2ccccc12)CC(=O)Cl 587280756 XQWQZUOCNZDWSH-SNVBAGLBSA-N 278.735 4.187 50 1 CIGF N[C@H]1C[C@@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1 1772596755 KMZXDKFYIFLKNO-DTWKUNHWSA-N 277.233 4.240 50 1 CIGF CCCCCC[C@@]1(CC)C=C(CC)[C@@H](CC(=O)OC)OO1 44352190 DVGHMGSERXEMNQ-WBVHZDCISA-N 298.423 4.336 50 1 CIGF ClCc1nn(-c2ccccc2)c(CCl)c1CCl 1857151 IMCHSGFXKKIIGS-UHFFFAOYSA-N 289.593 4.089 50 1 CIGF CCO[C@H]1CC/C(C)=C/CC/C(C=O)=C\[C@H]2C[C@]12C 205291384 BBHMZQWNAKKPBE-BCABADQDSA-N 262.393 4.063 50 1 CIGF C=C1C(C(C)C)=C(C#N)C(=O)N1c1ccccc1C(C)(C)C 64252002 DJIGJZGNPGAHPK-UHFFFAOYSA-N 294.398 4.321 50 1 CIGF CCc1[nH]c2cc(Cl)c(F)cc2c1CCCl 587628667 QYRLLPULLKPHIW-UHFFFAOYSA-N 260.139 4.304 50 1 CIGF O=C(c1coc2ccc(Cl)cc12)[C@H](Cl)CCl 587279220 YYHAMRHSNXVHPB-SECBINFHSA-N 277.534 4.115 50 1 CIGF C[C@H](Oc1ccccc1/C=C/C=O)c1ccccc1 29483631 ZROTWZLCSDZTAC-OIOXUXFSSA-N 252.313 4.039 50 1 CIGF CC(C)Cc1c(CCl)[nH]c2cc([N+](=O)[O-])ccc12 587644290 SVACWFOXAPKHKK-UHFFFAOYSA-N 266.728 4.013 50 1 CIGF C=C(c1cccc2ccccc12)[C@H]1COC2(CCCC2)OO1 43511389 YYNWYOCJEMEDOV-GOSISDBHSA-N 296.366 4.470 50 1 CIGF C#C/C=C/C[C@H](OC(C)=O)[C@@H](Cl)C/C=C\C/C=C\CC 13386429 OIYRZXJDSDRVQP-UWNKEDOMSA-N 294.822 4.408 50 1 CIGF ClC[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587007953 JKKJXDFGWNBBOC-ZCFIWIBFSA-N 283.973 4.388 50 1 CIGF C#C/C=C\C[C@H](Cl)[C@H](C/C=C\C=C\CC)OC(C)=O 42920647 GJNIZHUDNBTUTM-WMGZHFMKSA-N 280.795 4.018 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3ccc(F)c(C)c3[nH]2)cc1 587187003 AKXJBIGXGYUFET-NTEUORMPSA-N 291.329 4.383 50 1 CIGF C[C@@]1(CCOCc2ccccc2)CC2(CCCCC2)OO1 44418499 SDGIFGLGJBTZFY-QGZVFWFLSA-N 290.403 4.407 50 1 CIGF CCOC(=O)[C@@H](Cl)c1[nH]c2cccc(F)c2c1C(C)C 587632300 JBEODXBGRVJCPK-ZDUSSCGKSA-N 297.757 4.273 50 1 CIGF CC[C@H](C)c1ccc2[nH]c([C@@H](Cl)C(=O)OC)c(C)c2c1 587638974 LPXVBZLYLMKOCT-LKFCYVNXSA-N 293.794 4.443 50 1 CIGF C[C@H](Br)c1nc2cc3ccccc3cc2[nH]1 587009206 XETIVKYSCUMETR-QMMMGPOBSA-N 275.149 4.172 50 1 CIGF C[C@H]1CCCC2(OOC3(CCC[C@H](C)[C@H]3C)OO2)[C@H]1C 38155649 QXZXNDWDTSFLEL-KJKRZNOVSA-N 284.396 4.201 50 1 CIGF Cc1c(CCl)nc2cccc3c2c1-c1ccccc1C3=O 587101438 GWADIOYICYMGGN-UHFFFAOYSA-N 293.753 4.493 50 1 CIGF N#C/C(=C(/O)Oc1ccccc1)c1ccc2ccccc2n1 101832939 RZCSIJNJNIHYGW-OBGWFSINSA-N 288.306 4.064 50 1 CIGF Fc1cccc2[nH]c(CBr)c(C3CC3)c12 587632584 KUNHGFSEPOOAQN-UHFFFAOYSA-N 268.129 4.079 50 1 CIGF C#CC=CC[C@@H]1CCCC=C[C@H](Br)[C@H](CC)O1 2356538693 NDQADFJKKHDIGT-ILXRZTDVSA-N 297.236 4.233 50 1 CIGF CCCCCCCCCOOC=CC(C)=CC(=O)O 2356674963 ANGHISRCAOBISZ-UHFFFAOYSA-N 270.369 4.230 50 1 CIGF CC(C)Cc1c(CCl)[nH]c2cccc([N+](=O)[O-])c12 587643292 CSRWAVBAYBEFOS-UHFFFAOYSA-N 266.728 4.013 50 1 CIGF CCCC[C@]1(C)C[C@H](COC)[C@](CCCC)(OC)OO1 103287413 PXQBCBXJYIYONW-BZUAXINKSA-N 288.428 4.083 50 1 CIGF O=C1C[C@]2(CCC[C@@H]2Cl)Oc2c1ccc1c2CCCC1 587503084 WPGWHXFHDHTNOW-RDJZCZTQSA-N 290.790 4.061 50 1 CIGF C=C1[C@H](C)CC=C(C)[C@]12CC[C@@](C)(O)[C@@H](Br)C2 2356792502 JUGPSBMRDAHGGH-AQNFWKISSA-N 299.252 4.214 50 1 CIGF ClC[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587007952 JKKJXDFGWNBBOC-LURJTMIESA-N 283.973 4.388 50 1 CIGF Cc1[nH]c2ccc(F)c(Cl)c2c1CCBr 587627547 BQSJSGYTLVALJD-UHFFFAOYSA-N 290.563 4.206 50 1 CIGF C=C(CBr)CC#Cc1cc(Cl)ccc1OC 587898264 HOLBQXOPXLEWBQ-UHFFFAOYSA-N 299.595 4.041 50 1 CIGF C=CCSS/C=C/C[S@](=O)Cc1ccccc1 40975786 NZWIGPOPFHIAFK-DKISHCGFSA-N 284.471 4.016 50 1 CIGF N#C/C=C/C12c3ccccc3C(C[C@@H]1C#N)c1ccccc12 103229331 CKEQHIRKMMPUIF-HCWVSKFUSA-N 282.346 4.041 50 1 CIGF CC(=O)O/C=C/C(C=O)=C\C/C=C(\C)CCC=C(C)C 143516773 FIOIRGMGQAVDRU-KWYYFRASSA-N 276.376 4.271 50 1 CIGF CCOC(=O)[C@H](Cl)c1[nH]c2cc(F)ccc2c1C(C)C 587632646 NZVCOHZEPMLNDQ-CYBMUJFWSA-N 297.757 4.273 50 1 CIGF CSC(SC)=C(C#N)/C(O)=N/c1cccc(Cl)c1 1650982 ASDQIARSXUCZAT-UHFFFAOYSA-N 298.820 4.389 50 1 CIGF Cc1c([C@H](C)Br)[nH]c2cccc(F)c12 587632244 HTDPDLJNYXGXOP-ZETCQYMHSA-N 256.118 4.071 50 1 CIGF O=C(CCCCl)c1csc(Cl)c1Cl 45351231 FCNAOJXSMDJGML-UHFFFAOYSA-N 257.569 4.257 50 1 CIGF [C-]#[N+]Cc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906295 YTHYCOYKDQPFGP-UHFFFAOYSA-N 281.742 4.168 50 1 CIGF C=C1C[C@](C)(C=CCl)[C@H](Cl)C[C@H]1Br 2356677613 GIKUYJNVOHPPPU-BBBLOLIVSA-N 284.024 4.466 50 1 CIGF CCCCC1(CCCC)C[C@H](COC)[C@](C)(OC)OO1 103287409 AUBGIBJFMXUAES-HUUCEWRRSA-N 288.428 4.083 50 1 CIGF Cc1ccc(/C=C(\C#N)c2nc3cc(C)c(F)cc3[nH]2)cc1 587188812 XBUHOLMXDMYOSI-RIYZIHGNSA-N 291.329 4.383 50 1 CIGF CC[C@@]1(CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499950 WTQJRMKGPAJANE-QGZVFWFLSA-N 292.806 4.308 50 1 CIGF C=CCc1ccc(O)c(-c2ccc(OC)c(C=CC=O)c2)c1 2356346349 PDSJHKVGVLTIBI-UHFFFAOYSA-N 294.350 4.008 50 1 CIGF Cc1ccc(C)c2[nH]c([C@@H](Br)C(C)(C)F)nc12 587087506 QZFQAXPKMLPNQS-LLVKDONJSA-N 299.187 4.364 50 1 CIGF C[C@@H](N)Cc1cccc(S(F)(F)(F)(F)F)c1 43574859 YGBSUVPUXAMOTQ-SSDOTTSWSA-N 261.259 4.234 50 1 CIGF in-vivo CC(C)(C)c1cccc2nc(/C=C/CBr)[nH]c12 586972741 ASPHTKFLFNIKKK-VMPITWQZSA-N 293.208 4.269 50 1 CIGF CCc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587187962 MTIXIHFYUKWEOL-GDNBJRDFSA-N 273.339 4.189 50 1 CIGF N#CSc1cn(-c2ccccc2)c2ccccc12 653893403 CAEPCJWWUNAAFH-UHFFFAOYSA-N 250.326 4.204 50 1 CIGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=C(C=O)C=O 95486154 HFTMAWAUKKDXCR-YQVWRLOYSA-N 288.431 4.500 50 1 CIGF biogenic,in-vitro Cc1[nH]c2c(C)cc(Cl)cc2c1NC(=O)[C@H](C)Cl 587623714 MHMHMMNQFFGEIQ-ZETCQYMHSA-N 285.174 4.004 50 1 CIGF C#CC=CC[C@H](O)[C@H](Cl)CC=CCCCCC 2356622173 AOXCWBBZUQCCEG-CABCVRRESA-N 254.801 4.061 50 1 CIGF CCCc1c(O)ccc2c1O[C@](CCl)(CCC)CC2=O 587459310 ODMHRXHKITVBAZ-MRXNPFEDSA-N 296.794 4.088 50 1 CIGF CCCCSSc1nnc(-c2ccccc2)o1 1857542478 HXFJPSLQNHNZNA-UHFFFAOYSA-N 266.391 4.277 50 1 CIGF C[C@H](Br)[C@@]1(C)CC[C@@H](C)[C@@H](CC=CCl)O1 2356766626 RPUPJNLDKRSQRY-WRWGMCAJSA-N 295.648 4.486 50 1 CIGF