smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](Cl)C(=O)Nc1ccc(C(F)F)nc1 1875376349 UBRMBZJLSQKHGP-YFKPBYRVSA-N 234.633 2.585 50 50 BFGA CCO/C(C)=C(\C#N)C(=O)Nc1ccccc1C 71773270 TVJUHZAZFIVJLD-VAWYXSNFSA-N 244.294 2.768 50 50 BFGA O=C(Cl)c1c(Cl)ccc(F)c1F 40571870 CHLDUAMDKJNJKC-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA in-vitro Cc1ccc([PH](=O)c2ccc(C)cc2)cc1 100006420 GCUWBTGMXUIKOB-UHFFFAOYSA-N 230.247 2.814 50 50 BFGA in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCl)C2 100866717 PYXCVNYPFHGKLE-AUTRQRHGSA-N 229.751 2.556 50 50 BFGA O=Cc1ccccc1OCCCBr 1736213 XICQIIJKZUOCDK-UHFFFAOYSA-N 243.100 2.663 50 50 BFGA Fc1ccc(OCCBr)cc1 2584612 JXSPKRUNMHMICQ-UHFFFAOYSA-N 219.053 2.599 50 50 BFGA in-vitro CC(=O)[C@H](Br)c1ccccc1 5167004 LHMXBAUNIRFZCP-VIFPVBQESA-N 213.074 2.712 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@@H](C=O)C1CC1 196174878 IWNLNUQRQRSFJO-JTQLQIEISA-N 214.381 2.986 50 50 BFGA O=C1c2ccccc2[C@@]2(OO)[C@H]3CC[C@@H](C3)[C@@H]12 216454853 ZPECVIAPXCOQKT-COPCRZHJSA-N 230.263 2.614 50 50 BFGA FC1(F)Oc2ccc(CCl)cc2O1 79017136 TWIROCHBZRSMEC-UHFFFAOYSA-N 206.575 2.747 50 50 BFGA COC(=O)c1c(F)cccc1CBr 95762107 ZUDNSKMFGSEPFB-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA O=C=Nc1ccccc1OC(F)(F)F 164829 CTMGYQHKKIEXKF-UHFFFAOYSA-N 203.119 2.553 50 50 BFGA O=C(Cc1ccccc1)NN=C1CCCCC1 260185 OIGGPHHTUJDJKR-UHFFFAOYSA-N 230.311 2.665 50 50 BFGA CCCCCC[C@@H](Br)C(=O)OC 2046226 RCMQQTUVWBXJQS-MRVPVSSYSA-N 237.137 2.893 50 50 BFGA CCc1ccccc1NC(=O)C(Cl)Cl 1738571 BOHLNFADLKPIJL-UHFFFAOYSA-N 232.110 2.991 50 50 BFGA CC[C@@H](Br)C(=O)Nc1ccccc1 4739121 LPYHYCASMUNJLQ-SECBINFHSA-N 242.116 2.799 50 50 BFGA CCc1ccc(O[C@@H](C)C(=O)Cl)cc1 33433232 JMYBRJRYSVMXNT-QMMMGPOBSA-N 212.676 2.782 50 50 BFGA Cc1cc(Cl)ccc1NC(=O)CCl 145344 ACXNFUUNASEIHZ-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro Cc1occc1C(=O)NN=C1CCCCC1 525033 HEOJNLONKNWIEG-UHFFFAOYSA-N 220.272 2.638 50 50 BFGA O=C(N=C=S)c1ccc(Br)cc1 1686924 UQIQCOFQWXQZRI-UHFFFAOYSA-N 242.097 2.692 50 50 BFGA CCOc1ccc(NC(=O)C(Cl)Cl)cc1 3195678 ZQAUOAGMUDJFBI-UHFFFAOYSA-N 248.109 2.828 50 50 BFGA COC(=O)c1ccc(CBr)cc1C 113667995 MABHQNNTZZMWCU-UHFFFAOYSA-N 243.100 2.677 50 50 BFGA COc1ccc(Cl)cc1NC(=O)[C@H](C)Cl 3252740 MWBDSENKANTBMF-LURJTMIESA-N 248.109 2.914 50 50 BFGA CCc1cc(C(=O)N/N=C/c2ccco2)cs1 2749653 DCCQBOQVQUQAEQ-NTUHNPAUSA-N 248.307 2.667 50 50 BFGA O=C(N/N=C/C1CCCCC1)c1ccccc1 4759307 ZTJAZWXZJJGQOR-RVDMUPIBSA-N 230.311 2.983 50 50 BFGA CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCl 19094140 IWYOLTOAYPMSIZ-ZJUUUORDSA-N 231.767 2.946 50 50 BFGA in-vitro O=C(Cl)COc1cccc(Br)c1 26470334 QDNSCGJICMXLIZ-UHFFFAOYSA-N 249.491 2.593 50 50 BFGA O=[N+]([O-])c1c(F)cc(CCl)cc1F 263623734 KFXRVAIBASBNGI-UHFFFAOYSA-N 207.563 2.612 50 50 BFGA N#Cc1ccc(CBr)s1 26422793 GOXDYXBTGGZHMD-UHFFFAOYSA-N 202.076 2.515 50 50 BFGA in-vitro CCOC(=O)/C(O)=C(\C#N)c1cc(C)ccc1C 102312882 JORNSLGVKDYAAB-SEYXRHQNSA-N 245.278 2.659 50 50 BFGA Fc1ccc(CCl)c(C(F)(F)F)n1 238630677 QYVNSGIJGGEHMA-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA CCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1 28243 KLUDCHZOLVGLQF-JXMROGBWSA-N 235.670 2.810 50 50 BFGA biogenic,in-vitro O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 134764 GMKZBFFLCONHDE-UHFFFAOYSA-N 243.218 2.814 50 50 BFGA biogenic BrCCCOCc1ccccc1 2504732 PSUXTZLDBVEZTD-UHFFFAOYSA-N 229.117 2.988 50 50 BFGA in-vitro ClCc1cncn1Cc1ccccc1 19090579 GQOQUUCIZBMRMZ-UHFFFAOYSA-N 206.676 2.670 50 50 BFGA in-vitro BrCc1cc(-c2ccco2)on1 87547992 DTRXQDQZNJNOGX-UHFFFAOYSA-N 228.045 2.830 50 50 BFGA in-vitro CC1=C(C)C[C@]23CCCC[C@@]2(C1)C(=O)OC3=O 101045890 GVMGZPGGDWIMGH-OKILXGFUSA-N 234.295 2.747 50 50 BFGA CCOC(=O)/C(O)=C(\C#N)c1ccc(CC)cc1 102312831 KQWKTRHYVYTSQU-SEYXRHQNSA-N 245.278 2.605 50 50 BFGA ClCCOc1ccc(OCCCl)cc1 3129924 DKPKDJGAQOVXJC-UHFFFAOYSA-N 235.110 2.922 50 50 BFGA in-vitro CC[C@H](Br)C(=O)N1CCCC[C@@H]1C 14807082 MDQDUJLBYGNQJO-IUCAKERBSA-N 248.164 2.561 50 50 BFGA O=C(Nc1cc(F)ccc1F)C(Cl)Cl 3080948 WGNFAODOLPFMBC-UHFFFAOYSA-N 240.036 2.707 50 50 BFGA CCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1 4578718 KLUDCHZOLVGLQF-YFHOEESVSA-N 235.670 2.810 50 50 BFGA Fc1cccc(-c2nnc(CCl)o2)c1 9280313 YYEFHXOELYYOTP-UHFFFAOYSA-N 212.611 2.615 50 50 BFGA in-vitro CNC(=O)Oc1ccc(SC#N)c(C)c1C 3639315 SFJIVVKRQQQTSS-UHFFFAOYSA-N 236.296 2.595 50 50 BFGA CC(C)(C)[Si](C)(C)OC/C=C/CO 169836161 PTURWRRIBNABTN-VOTSOKGWSA-N 202.370 2.557 50 50 BFGA O=C(Cl)c1cc(F)c(Cl)cc1F 2560295 DFLRZGOHFNFBQS-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA biogenic,in-vitro O=C(Cl)[C@@H](Br)Cc1ccccc1 8619213 PLTQBSSKEGUDLB-QMMMGPOBSA-N 247.519 2.758 50 50 BFGA BrCC1(CBr)CC1 100043788 GJCHFNVRRQTXHL-UHFFFAOYSA-N 227.927 2.556 50 50 BFGA in-vitro C[C@H](Cl)C(=O)NCc1ccc2ccoc2c1 1875364597 XKGJGVLJQVDPQJ-QMMMGPOBSA-N 237.686 2.676 50 50 BFGA CC1=C(C#N)[C@@H](C)C2=C(CC(C)(C)CC2=O)N1 85397599 RDMDDPNHSPUVQK-MRVPVSSYSA-N 230.311 2.666 50 50 BFGA Fc1ccc(F)c(CBr)c1F 8100948 JPBWEVKHPSNBCE-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro BrCc1nc2ccccc2o1 39278311 VVKQNCHUKOHTDO-UHFFFAOYSA-N 212.046 2.723 50 50 BFGA in-vitro O=[N+]([O-])c1cccc(CBr)c1F 75629445 MIESICVJNXXYKC-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA CC(C)(C)C1=C(C(C)(C)C)[C@@H]2C(=O)OC(=O)[C@@H]12 101050353 YQZDJAJGRHHPBE-HTQZYQBOSA-N 236.311 2.705 50 50 BFGA CCOC(=O)[C@H](Br)C1CCCC1 526056093 STUDWPIFXGYVRW-MRVPVSSYSA-N 235.121 2.503 50 50 BFGA O=[N+]([O-])c1ccc(F)cc1CBr 22215183 ZODQWFPDKBKNTF-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA C[C@H](Cl)C(=O)NCc1coc2ccccc12 1875364504 SZEVMDNNVYPYPK-QMMMGPOBSA-N 237.686 2.676 50 50 BFGA COc1ccc(C(=O)[C@H](C)Br)cc1 4776272 QNCDPGOJVGDTAN-ZETCQYMHSA-N 243.100 2.661 50 50 BFGA Cc1occc1C(=O)N/N=C/C1CCCCC1 6556460 NLSDUPXKRGXQMF-NTEUORMPSA-N 234.299 2.884 50 50 BFGA COC(=O)C(C)(C)c1ccc(CCCl)cc1 221889406 VZPVSMUUBFOTAV-UHFFFAOYSA-N 240.730 2.919 50 50 BFGA Cc1c(CBr)cccc1[N+](=O)[O-] 44138678 KPWVALMTRXELOS-UHFFFAOYSA-N 230.061 2.798 50 50 BFGA in-vitro CCCC(CCC)=C(C#N)C(=O)OCC 2495707 NRDOXUDRDLJJHT-UHFFFAOYSA-N 209.289 2.970 50 50 BFGA Cc1ccc(/C=C2/C(=O)ON=C2CCl)s1 34926757 QEFMHXQCTYIMNC-XBXARRHUSA-N 241.699 2.592 50 50 BFGA CCc1ccccc1NC(=O)CBr 40451223 CGIDOBLJVWWXLQ-UHFFFAOYSA-N 242.116 2.582 50 50 BFGA OCCCCCOCCCCCCCl 1592055961 WDGCCFLLCSWKRM-UHFFFAOYSA-N 222.756 2.965 50 50 BFGA O=C(N/N=C/c1ccco1)c1ccc(Cl)cc1 28159 UNVOTDGPNAVDAJ-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA CCOC(=O)/C(C#N)=C\Nc1ccc(C)cc1C 14796339 CAFDCQQDUNURMM-XFXZXTDPSA-N 244.294 2.686 50 50 BFGA FC(F)(F)c1cccc(CBr)n1 66327896 OQCJTIRYBJPXHK-UHFFFAOYSA-N 240.022 2.995 50 50 BFGA CCCCCC(=O)N/N=C(/C)c1ccccn1 4992113 MOOZFXVMPWELDJ-PTNGSMBKSA-N 233.315 2.502 50 50 BFGA Cc1ccc(/C=N/NC(=O)[C@@H]2CC23CCC3)cc1 271256 XGRDAHYFUBZSKV-RKPNYOAGSA-N 242.322 2.635 50 50 BFGA CCCCC(=O)NNc1ccc(C)cc1 3132189 NEFYFWQTMNZNIZ-UHFFFAOYSA-N 206.289 2.628 50 50 BFGA C[C@@H](NNC(=O)c1ccccc1)c1ccccc1 1999295 BEWNZPMDJIGBED-GFCCVEGCSA-N 240.306 2.682 50 50 BFGA in-man Cc1cc(SC#N)c(Br)cc1N 38537365 LLLTVSFIYBDXRB-UHFFFAOYSA-N 243.129 2.913 50 50 BFGA in-vitro CCCCCC[C@H](Br)C(=O)OC 1589672 RCMQQTUVWBXJQS-QMMMGPOBSA-N 237.137 2.893 50 50 BFGA N#CC(C#N)=C(O)c1ccc(Cl)cc1 114464231 GDRRQYLMIXFBEH-UHFFFAOYSA-N 204.616 2.656 50 50 BFGA O=C(Cl)c1cc([N+](=O)[O-])ccc1Cl 2522758 OGLKKYALUKXVPQ-UHFFFAOYSA-N 220.011 2.627 50 50 BFGA ClCc1cncc(Br)c1 12370811 NLPHAZLCNNDGPS-UHFFFAOYSA-N 206.470 2.583 50 50 BFGA in-vitro CCC[C@@H](N=C=S)C(=O)OC(C)(C)C 757190754 GGNHENVTOKATKJ-MRVPVSSYSA-N 215.318 2.600 50 50 BFGA CC(=O)n1cc(/C=C/C=O)c2ccccc21 1880368 ZISILIDPIRVCTQ-SNAWJCMRSA-N 213.236 2.514 50 50 BFGA N#C[C@H](Br)Cc1ccccc1 4206425 ZCCNNBFUMWEZGE-SECBINFHSA-N 210.074 2.516 50 50 BFGA in-vitro COC(=O)c1cccc(C)c1N=C=S 67800133 BJXZUYJEDFTYIG-UHFFFAOYSA-N 207.254 2.516 50 50 BFGA O=C(N/N=C/c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 101837408 DJWDETGXNBGOHX-IZJFDVHYSA-N 248.351 2.634 50 50 BFGA CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@H]1C(N)=O 601013405 UQTIJMIOAZIGNU-NXEZZACHSA-N 243.423 2.520 50 50 BFGA COc1ccc(OC(C)(C)C(=O)CCl)cc1 675068165 UPHWGDTZNXHDSD-UHFFFAOYSA-N 242.702 2.661 50 50 BFGA O=C(CCl)Nc1ccc(Cl)cc1F 2944822 XTYTUPVHQHMXCF-UHFFFAOYSA-N 222.046 2.656 50 50 BFGA in-vitro CC(=O)[C@@H](Br)c1ccccc1 5167102 LHMXBAUNIRFZCP-SECBINFHSA-N 213.074 2.712 50 50 BFGA O=C=Nc1cc(C(F)(F)F)ccc1F 152313 NAIKHCBDZGSGHH-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA in-vitro C[C@H](Cl)OC(=O)Oc1ccc([N+](=O)[O-])cc1 100031088 DXVQFTPXVZUWIF-ZCFIWIBFSA-N 245.618 2.695 50 50 BFGA in-vitro N#C/C(=C\O)c1ccccc1Br 261493793 JJEBCCJLUKQQNA-VOTSOKGWSA-N 224.057 2.872 50 50 BFGA ClC1C(Cl)(Cl)C1(Cl)Cl 1724826 IACJMSLMMMSESC-UHFFFAOYSA-N 214.306 2.955 50 50 BFGA in-vitro O=Cc1ccc(OCCCBr)cc1 8731601 XQCCNZFHLCQXEP-UHFFFAOYSA-N 243.100 2.663 50 50 BFGA CC(C)c1ccc(NC(=O)CCl)cc1 161035 NBPOAZHKOZEYOV-UHFFFAOYSA-N 211.692 2.987 50 50 BFGA in-vitro CCOC(=O)CCCCCBr 2140801 DXBULVYHTICWKT-UHFFFAOYSA-N 223.110 2.505 50 50 BFGA O=C(CCCl)Nc1cccc(Cl)c1 5568662 PPDCJGYLZPSGAW-UHFFFAOYSA-N 218.083 2.907 50 50 BFGA in-vitro C[C@@H](NC(=O)C(Cl)Cl)c1ccccc1 299624 OKVKOBMHKRIIOW-SSDOTTSWSA-N 232.110 2.668 50 50 BFGA in-vitro O=C=Nc1ccc(F)c(C(F)(F)F)c1 2568131 OPPYFFRLKJUEOS-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA in-vitro BrCc1ccc2snnc2c1 4277254 NFVHCHHMBKMINT-UHFFFAOYSA-N 229.102 2.586 50 50 BFGA ClC[C@@H]1CCN(C2CCCCC2)C1 129856535 BVACPPFRUBKIPK-JTQLQIEISA-N 201.741 2.880 50 50 BFGA in-vitro Cc1ccccc1NC(=O)C(Cl)Cl 1684086 AYWNNBNZROXRBJ-UHFFFAOYSA-N 218.083 2.737 50 50 BFGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)O1 169829906 PUVKTUGKESTBDE-VIFPVBQESA-N 230.380 2.714 50 50 BFGA O=C(N/N=C/c1cccc(F)c1)c1cccs1 232495 NRCXLMIBSXLBKJ-RIYZIHGNSA-N 248.282 2.651 50 50 BFGA CCC(C)(C)C(=O)OC(=O)C(C)(C)CC 100541871 IENNOUHEKVPMRP-UHFFFAOYSA-N 214.305 2.929 50 50 BFGA O=C(CCl)N1Cc2cccc3cccc(c23)C1 2325904020 FOYOBFVCVISCLP-UHFFFAOYSA-N 245.709 2.921 50 50 BFGA COc1ccc(COCC/C=C/C=C/C=O)cc1 43763657 MIHANSHYOYMNFA-ZUVMSYQZSA-N 246.306 2.913 50 50 BFGA C=C(C#N)C(=O)O[C@H](C)CCCCCC 112965540 CQVWXNBVRLKXPE-LLVKDONJSA-N 209.289 2.968 50 50 BFGA investigational Cc1ccc(/C=N/NC(=O)[C@H]2CC23CCC3)cc1 271254 XGRDAHYFUBZSKV-BVTUPMQUSA-N 242.322 2.635 50 50 BFGA COc1ccc(N(C)C(=S)Cl)cc1 2506715 NYHRIAAQDVFFRH-UHFFFAOYSA-N 215.705 2.655 50 50 BFGA COC(=O)c1c(N=C=S)sc(C)c1C 2522235 YYQIQCGIUXTUIR-UHFFFAOYSA-N 227.310 2.886 50 50 BFGA in-vitro CC(C)c1nnc2c(CCl)cccn12 40449850 SRIZOOFJMFVLGF-UHFFFAOYSA-N 209.680 2.592 50 50 BFGA O=C(O)/C=C/c1ccc(CBr)cc1 19721496 WMPJRZQASMKAHC-AATRIKPKSA-N 241.084 2.679 50 50 BFGA C=C(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1 144187190 RAYSDFXTXTZOJU-UHFFFAOYSA-N 223.184 2.644 50 50 BFGA COC(=O)N/N=C/c1cccc(Cl)c1Cl 491911 VCHSODXIKSNGGR-LFYBBSHMSA-N 247.081 2.683 50 50 BFGA O=[N+]([O-])c1ccc(CBr)s1 97758779 BJJAUOARVZAEII-UHFFFAOYSA-N 222.063 2.551 50 50 BFGA in-vitro Cc1ccc(/C=N/NC(=O)Nc2ccccc2)o1 297199 HIUYOTJWHQLEML-NTEUORMPSA-N 243.266 2.744 50 50 BFGA CCc1ccc(NC(=O)[C@H](C)Cl)cc1 3281064 IAYXTUQFAKJQOV-QMMMGPOBSA-N 211.692 2.815 50 50 BFGA in-vitro Cc1ccccc1C(=O)NN=C1CCCC1 284629 DRXSZPXBVYRPCG-UHFFFAOYSA-N 216.284 2.655 50 50 BFGA CCOC(=O)c1cnc(CCl)c(Cl)c1 91692973 CLABREKWZJJKCC-UHFFFAOYSA-N 234.082 2.651 50 50 BFGA CC(C)(C)[Si](C)(C)OCC[C@H]1C[C@@H]1C(N)=O 601013406 UQTIJMIOAZIGNU-UWVGGRQHSA-N 243.423 2.520 50 50 BFGA CSc1ccc(NC(=O)NCCCl)cc1 1643990 WUXUKJIIFCCPFH-UHFFFAOYSA-N 244.747 2.769 50 50 BFGA CC(C)N(C(=O)CCl)c1ccccc1 2039117 MFOUDYKPLGXPGO-UHFFFAOYSA-N 211.692 2.667 50 50 BFGA biogenic,in-vitro Fc1ccc(CBr)cc1F 2539276 JJIFTOPVKWDHJI-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA in-vitro O=C(Cl)[C@@H](Br)c1ccccc1 20286632 UDEJUBDPPQVWEX-ZETCQYMHSA-N 233.492 2.888 50 50 BFGA CCO[Si](CC(C)C)(OCC)OCC 169744737 ALVYUZIFSCKIFP-UHFFFAOYSA-N 220.385 2.691 50 50 BFGA N#CC(C#N)=C(CBr)c1ccccc1 160732 BPAMXRJMUZGKJQ-UHFFFAOYSA-N 247.095 2.882 50 50 BFGA CCC1CCC(=C(C#N)C(=O)NC2CC2)CC1 1459215 HAGKNLWVEJCUTI-UHFFFAOYSA-N 232.327 2.685 50 50 BFGA FC(F)(F)CCCI 2390292 LNDGACQEAYKNOI-UHFFFAOYSA-N 237.990 2.764 50 50 BFGA in-vitro Cc1cncc(Oc2cccc(N=C=O)c2)n1 12370719 LCRVXXVLPQYITG-UHFFFAOYSA-N 227.223 2.545 50 50 BFGA in-vitro O=C(Cl)c1ccc(Br)c(F)c1 16159639 QKNNWDFHKRIYJH-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro O=C(CCCl)NCc1ccccc1Cl 12505118 UDCPSNFIOXHTMT-UHFFFAOYSA-N 232.110 2.585 50 50 BFGA in-vitro C[C@H](C(=O)O)c1ccc(CBr)cc1 2576953 QQXBRVQJMKBAOZ-ZETCQYMHSA-N 243.100 2.770 50 50 BFGA in-vitro ClCc1cc(-c2ccc3c(c2)OCO3)no1 4343501 JBMUOBREOPBFOQ-UHFFFAOYSA-N 237.642 2.809 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Br)C2=O 1857796601 VXQNRSUZDLRDBG-HKPALBBZSA-N 231.133 2.775 50 50 BFGA CC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl 40451386 DFFNKEZSCROFIA-MRVPVSSYSA-N 243.646 2.518 50 50 BFGA CCC[C@H](C)C(=O)OC(=O)[C@@H](C)CCC 100508549 NCYCWNILADFMPI-UWVGGRQHSA-N 214.305 2.929 50 50 BFGA O=c1c2ccccc2nc2n1CCCC[C@@H]2Cl 2172317 NYQPDIJJSBLPPT-JTQLQIEISA-N 248.713 2.860 50 50 BFGA CC(C)C(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 100408466 MTPNBJYFAZSXTH-ZOGGSJMOSA-N 236.359 2.961 50 50 BFGA CN(C(=O)C(Cl)Cl)C1CCCCC1 2143456 LISVUCXARFPONO-UHFFFAOYSA-N 224.131 2.581 50 50 BFGA Cc1cc(OC(=O)c2ccco2)ccc1[N+](=O)[O-] 294681 DSRSTKWYJSNVHU-UHFFFAOYSA-N 247.206 2.715 50 50 BFGA Cc1cc(C)c(OC[C@@H](O)CCl)c(C)c1 2159844 LGSCYMXXUTYLEU-NSHDSACASA-N 228.719 2.590 50 50 BFGA N#CC(C#N)=C(N)CSc1ccc(Cl)cc1 169365 RSAMGADBKNUMFZ-UHFFFAOYSA-N 249.726 2.692 50 50 BFGA COc1ccc2[nH]cc(C=C(C#N)C#N)c2c1 12952770 AXSNFTQSKJJFDZ-UHFFFAOYSA-N 223.235 2.607 50 50 BFGA O=C(CCl)O[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 104311841 PBPMGYJFCCORSG-YOQJGNTNSA-N 228.719 2.593 50 50 BFGA CP(=O)(c1ccccc1)c1ccccc1 161714 PEGCITODQASXKH-UHFFFAOYSA-N 216.220 2.630 50 50 BFGA biogenic,in-vitro Cc1cc(C(=O)N/N=C/c2ccccc2)c(C)o1 228298 LKDFFNWDRZUSIQ-OQLLNIDSSA-N 242.278 2.660 50 50 BFGA COC(=O)c1sc(C)cc1N=C=S 34335058 ODDYRTBEZHYBOA-UHFFFAOYSA-N 213.283 2.577 50 50 BFGA Cc1ccc(Cc2noc(CCl)n2)cc1 51752370 YKYGUUMLRTZCJY-UHFFFAOYSA-N 222.675 2.708 50 50 BFGA CC(=O)c1ccc(CCBr)cc1 2565979 SCBYPRYCSIVASE-UHFFFAOYSA-N 227.101 2.827 50 50 BFGA in-vitro COc1ccc(F)c(F)c1CBr 2528405 SVUCRCMGEHPJGQ-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA Cc1ccc2c(C(=O)CCl)c[nH]c2c1 525492 XVEKDVUZMSRMAJ-UHFFFAOYSA-N 207.660 2.898 50 50 BFGA FC(F)(F)[C@H](Cl)C(Cl)Cl 103253430 UHUGFVKSZJCZEY-PVQJCKRUSA-N 201.402 2.960 50 50 BFGA in-vitro O=[N+]([O-])c1c(F)cccc1CBr 114927818 AVNVXKZYRKFTKK-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA CCN(C(=O)CCCl)c1ccccc1 5979365 UXMLUSLRVFUINU-UHFFFAOYSA-N 211.692 2.668 50 50 BFGA in-vitro N#CC1=C2CCCC[C@H]2C2(CCCCC2)NC1=O 71773658 KDXGNMSARQDQIO-CYBMUJFWSA-N 244.338 2.829 50 50 BFGA CC1(C)[C@@H]2C[C@@H]1C=C[C@H](Br)C2=O 101139982 GYRYTKFGXWIPRO-RNJXMRFFSA-N 229.117 2.551 50 50 BFGA COc1c(C(=O)Cl)csc1Cl 2170094 ZLLVFNBZGFSCKR-UHFFFAOYSA-N 211.069 2.789 50 50 BFGA in-vitro O=C(N/N=C/[C@H]1CC=CCC1)NC1CCCCC1 4690240 ROKMKIKCKFDGJO-YGRGUWMTSA-N 249.358 2.960 50 50 BFGA Cc1cc(C)nc(CBr)c1 21982416 JTBPXUPRFVPPTM-UHFFFAOYSA-N 200.079 2.593 50 50 BFGA in-vitro FC(F)(F)[C@H](Br)CCl 100036712 UBARSPZYKDIADS-UWTATZPHSA-N 211.408 2.551 50 50 BFGA in-vitro Cc1c(C(=O)CCl)c2ccccc2n1C 548921 GCIGNCLGVJKROZ-UHFFFAOYSA-N 221.687 2.908 50 50 BFGA in-vitro CC(=O)NN=C(c1ccccc1)c1ccccc1 1558961 LDPAYVLWDUACGH-UHFFFAOYSA-N 238.290 2.575 50 50 BFGA Cc1cc(SSc2cc(C)[nH]n2)n[nH]1 113233859 BCIIBRJIADPFTQ-UHFFFAOYSA-N 226.330 2.549 50 50 BFGA C[C@@H](Br)C(=O)c1c(F)cccc1F 115368493 QOGKPUDETMYSPA-RXMQYKEDSA-N 249.054 2.931 50 50 BFGA CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br 507383 NJQADTYRAYFBJN-FWWHASMVSA-N 231.133 2.775 50 50 BFGA in-man COc1c(CBr)ccc(F)c1F 145585792 VXTZWULQMAYZQZ-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA C=CCOC(=O)/C=C(\C#N)Sc1ccccc1 71786509 OSIRKWRSXMJASV-FMIVXFBMSA-N 245.303 2.915 50 50 BFGA Cc1cccc(OCCBr)c1 1871242 QWTWDWKIMDVQDF-UHFFFAOYSA-N 215.090 2.769 50 50 BFGA biogenic C[C@H](c1ccccc1)N1C(=O)OC[C@@H]1CCl 139312 RDJVMESMFKYWJT-KOLCDFICSA-N 239.702 2.807 50 50 BFGA Cc1cc(C)c(C#N)c(SC/C=C/C#N)n1 4052392 IIXGUGRSXRLTDN-ONEGZZNKSA-N 229.308 2.742 50 50 BFGA CC1=CC[C@]23CCCCC[C@]2(C1)C(=O)OC3=O 101002642 QIMJAOMIQCZOKP-KBPBESRZSA-N 234.295 2.747 50 50 BFGA Fc1ccc(-c2noc(CCl)n2)cc1 3457165 LMZZSCWNPOUYES-UHFFFAOYSA-N 212.611 2.615 50 50 BFGA in-vitro C[C@H](Br)C[C@@H](C)Br 97998478 KUZOHDYKJXNCSI-SYDPRGILSA-N 229.943 2.943 50 50 BFGA in-vitro C[C@H](Cl)c1cc(=O)oc2cc(O)ccc12 335132 OLKYVWSFQCVSLF-LURJTMIESA-N 224.643 2.798 50 50 BFGA CC[N+](CC)(CC)CCCBr 2545329 LZJJLZXZYBOMOD-UHFFFAOYSA-N 223.178 2.648 50 50 BFGA CCCCCCCC[C@@H]1CC(=O)OC1=O 100016364 OAJCSERLBQROJC-SNVBAGLBSA-N 212.289 2.827 50 50 BFGA CC(C)(C)[Si](C)(C)OCC1CC(=O)C1 199460689 URWSISGQYMLJFS-UHFFFAOYSA-N 214.381 2.987 50 50 BFGA N#CC(C#N)=CNc1ccc(Cl)cc1[N+](=O)[O-] 5511641 RLMQNCQAMOOXCD-UHFFFAOYSA-N 248.629 2.591 50 50 BFGA O=C(CCl)Nc1ccc(C(F)(F)F)cc1 166527 BHXKHTOSJBCCMU-UHFFFAOYSA-N 237.608 2.883 50 50 BFGA biogenic,in-vitro Cc1ccc(S(=O)(=O)/C=C/CCl)cc1 1579504 YTGSPMWGLGNDRI-KRXBUXKQSA-N 230.716 2.521 50 50 BFGA O=C(Cl)c1ccc(Br)s1 6335011 ORIONTBOMZNQIE-UHFFFAOYSA-N 225.494 2.890 50 50 BFGA in-vitro CCOc1ccc(F)c(C(=O)Cl)c1F 71867316 XGDCQLWWBIGNFG-UHFFFAOYSA-N 220.602 2.743 50 50 BFGA COc1c(Cl)cccc1NC(=O)CCl 3080939 NDDXXDYOVHCDDY-UHFFFAOYSA-N 234.082 2.526 50 50 BFGA C/C(C=O)=C/c1ccc(/C=C(/C)C=O)cc1 6021300 AGJMNYLBIZPTKE-OXAWKVHCSA-N 214.264 2.891 50 50 BFGA CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)O1 169829909 PUVKTUGKESTBDE-SECBINFHSA-N 230.380 2.714 50 50 BFGA CC1(C)C2=CCCC[C@@]2(C)CC/C1=N\NC(N)=O 43761556 CWTDMDOUAICQBL-LUYJPIOASA-N 249.358 2.947 50 50 BFGA O=C(Cl)OCCCCOC(=O)Cl 1841398 AUKORMQZRYQYGI-UHFFFAOYSA-N 215.032 2.517 50 50 BFGA CC1=C(C#N)CCC(=O)N1Cc1ccc(F)cc1 169172 BCQCYVGZSYLQHC-UHFFFAOYSA-N 244.269 2.746 50 50 BFGA CSc1cccc(NC(=O)CCl)c1 4289294 MVHJOIYPKBFDCH-UHFFFAOYSA-N 215.705 2.586 50 50 BFGA in-vitro O=C(O)c1cc(N=C=S)ccc1Cl 31829452 XERCHXQQJWIKTK-UHFFFAOYSA-N 213.645 2.773 50 50 BFGA S=C=Nc1cnn(Cc2ccccc2)c1 2536593 YAWATBUXJZFBPI-UHFFFAOYSA-N 215.281 2.666 50 50 BFGA CC(=O)OCC[C@@H](C)CC/C=C(\C)C=O 43763633 HEUSWAZSUJSVCG-OTXQMUPVSA-N 212.289 2.501 50 50 BFGA O=C(CCCl)Nc1cc(Cl)ccc1O 72264965 QGFTUKNWLUVYMO-UHFFFAOYSA-N 234.082 2.613 50 50 BFGA COc1ccc(C(C)=C(C#N)C#N)c(OC)c1 12379167 QPZVDKIERBSMGG-UHFFFAOYSA-N 228.251 2.524 50 50 BFGA CC(C)=CC1=C(C)[C@H](C)[C@@H]2C(=O)OC(=O)[C@H]2C1 242548098 LCMBVMZMOYGTMT-DLOVCJGASA-N 234.295 2.625 50 50 BFGA [C-]#[N+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 95686716 ZAWPEVUURWHHNZ-LBPRGKRZSA-N 231.295 2.859 50 50 BFGA C[Si](C)(C)OC1(C#N)CCSCC1 203417123 VCLYSWMAYORFRR-UHFFFAOYSA-N 215.394 2.627 50 50 BFGA Cc1ccc(NC(=O)CCl)cc1Cl 122431 XHKYKSAIETVAAH-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro BrCC1Cc2ccccc2C1 84199168 STSXTMDDYSZTKX-UHFFFAOYSA-N 211.102 2.796 50 50 BFGA in-vitro Cc1[nH]c2ccccc2c1C(=O)CCl 128098 GEACTTPEMXZJFB-UHFFFAOYSA-N 207.660 2.898 50 50 BFGA in-vitro O=c1cc(CCl)[nH]c2c(Cl)cccc12 8732760 UUWGPBTYHBXUDX-UHFFFAOYSA-N 228.078 2.920 50 50 BFGA in-vitro ClCCN[C@@H](CCl)c1ccccc1 97973055 JGNPHXMBLUOPPV-JTQLQIEISA-N 218.127 2.795 50 50 BFGA Cc1ccc(NNC(=O)Cc2ccccc2)cc1 4947238 ITVVSSUPQNSDDM-UHFFFAOYSA-N 240.306 2.681 50 50 BFGA biogenic C#CCOCCCCCCCBr 137705778 JKXNGBZGOIOKLW-UHFFFAOYSA-N 233.149 2.982 50 50 BFGA CSC(=O)N[C@@H]1CCCC[C@H]1Cl 5676555 RVLOZZJUARUJMI-RNFRBKRXSA-N 207.726 2.609 50 50 BFGA Fc1c(CCl)ccnc1C(F)(F)F 238556987 RKMFWNHAAUYDDS-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA O=C(N/N=C/C=C/c1ccco1)c1cccs1 1798586 YABRUOZHPIBVBK-NYNQDTEKSA-N 246.291 2.770 50 50 BFGA C[C@@H](Cl)C(=O)Nc1ccccc1Cl 9428897 DFYYFDYUOVGYGP-ZCFIWIBFSA-N 218.083 2.906 50 50 BFGA in-vitro O=C(CCl)O[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 257357616 PBPMGYJFCCORSG-DSPMHBFJSA-N 228.719 2.593 50 50 BFGA Cc1ccc(NC(=O)[C@H](C)Cl)cc1C 19479893 JOVJLKOOPAPWOK-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro O=C(CCCl)Nc1ccc(Cl)cc1 4290624 XHQYWNFRAYYHIT-UHFFFAOYSA-N 218.083 2.907 50 50 BFGA in-vitro FC1(F)Oc2ccc(CCCl)cc2O1 259477157 MGMBFGMMPWSYMJ-UHFFFAOYSA-N 220.602 2.789 50 50 BFGA C[C@H](N=C=O)c1ccc(Br)cc1 5227461 AKVAGWOVWQDTAF-ZETCQYMHSA-N 226.073 2.846 50 50 BFGA in-vitro Cc1ccc2nc(CCCl)[nH]c2c1C 19089306 ASXYWWHYKCRPAK-UHFFFAOYSA-N 208.692 2.961 50 50 BFGA C[C@@]12CC[C@@H](CC1=O)[C@@]2(C)CBr 157949 JOXACTPHKLKJNP-FXBDTBDDSA-N 231.133 2.777 50 50 BFGA COC(=O)[C@@H](Cl)Cc1ccc(Cl)cc1 2019171 YJKIALIXRCSISK-VIFPVBQESA-N 233.094 2.663 50 50 BFGA in-vitro O=C(O)[C@H](Br)c1ccc(Cl)cc1 12954376 KKOAAWLOOHBFQP-SSDOTTSWSA-N 249.491 2.861 50 50 BFGA in-vitro CC(C)CCC(=O)OC(=O)CCC(C)C 86051924 URZYJMFUPBREMV-UHFFFAOYSA-N 214.305 2.929 50 50 BFGA O=[N+]([O-])c1ccc(SCCCl)cc1 1736526 XSHHJXAFSBWTJU-UHFFFAOYSA-N 217.677 2.926 50 50 BFGA O=C(Cl)c1ccccc1OC(F)(F)F 2510176 KSHPWYXAJJCUMJ-UHFFFAOYSA-N 224.565 2.964 50 50 BFGA in-vitro CN(C)NC(=O)Nc1ccc(Cl)c(Cl)c1 2147472 SKHKBALGSUUEIY-UHFFFAOYSA-N 248.113 2.592 50 50 BFGA C[C@@H](Cl)C(=O)Nc1cccc(Cl)c1 3289265 RMICMLBMAQRUJI-ZCFIWIBFSA-N 218.083 2.906 50 50 BFGA in-vitro N#CSc1ccc(N)cc1Br 38537411 WPPDBNWAJPCNEU-UHFFFAOYSA-N 229.102 2.604 50 50 BFGA in-vitro N#C[C@H](Br)c1ccc([N+](=O)[O-])cc1 3134256 GLXYIJPBMWDLPX-QMMMGPOBSA-N 241.044 2.554 50 50 BFGA Cc1ccsc1/C=C1/C(=O)ON=C1CCl 34926744 KMPJAKPLLMZBNW-QPJJXVBHSA-N 241.699 2.592 50 50 BFGA C[N@@+]12CCCC[C@@H]1[C@H](CBr)CCC2 253389824 NBHQDJXHWDFYIY-LOWVWBTDSA-N 247.200 2.790 50 50 BFGA biogenic O=C(CBr)c1cccc(F)c1F 16125721 ZXANJKYIJPMTES-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA ClCc1noc(-c2cccs2)n1 165811 YVYZVJRSESVBCM-UHFFFAOYSA-N 200.650 2.537 50 50 BFGA in-vitro COC(=O)N/N=C(\C)c1ccc2ccccc2c1 4579539 WNPXERAJUZOZFV-XNTDXEJSSA-N 242.278 2.920 50 50 BFGA O=[N+]([O-])c1cc(N=C=S)ccc1Cl 164808 ZXGZBHIDSJXKLE-UHFFFAOYSA-N 214.633 2.983 50 50 BFGA in-vitro O=C(CCl)NCc1cccc2ccccc12 32234275 MWYNGSMWFHZTSM-UHFFFAOYSA-N 233.698 2.695 50 50 BFGA N#Cc1ccc(CBr)c(F)c1 3880155 ZESZAIOGACKOMB-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro BrCc1cccc(N2CCCC2)n1 19851014 UFXKRINLXMWRES-UHFFFAOYSA-N 241.132 2.577 50 50 BFGA CN(C)NC(=O)Nc1c(Cl)cccc1Cl 2161799 JZUCBZACFNVCIU-UHFFFAOYSA-N 248.113 2.592 50 50 BFGA N#Cc1ccc(CBr)cc1F 2243227 DJOXAJDFHGJTAP-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA CCO[C@@H]1C[C@@H](c2ccccc2)C(C#N)=C(C)N1 25631255 MEOCPJARYOOBHA-DZGCQCFKSA-N 242.322 2.924 50 50 BFGA O=C1c2ccsc2CC[C@H]1Br 39294010 KBLQDFSWVMPYEM-ZCFIWIBFSA-N 231.114 2.641 50 50 BFGA in-vitro COc1c(F)ccc(F)c1CBr 238408005 BTWUUMHXFOAYEH-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA COc1ccc(C=CC=C(C#N)C#N)cc1 2040751198 ASQQJHPXTIBFRU-UHFFFAOYSA-N 210.236 2.682 50 50 BFGA CCCCC[C@H](Br)C(=O)OCC 1640856 GNCLPIAYAPQPOU-QMMMGPOBSA-N 237.137 2.893 50 50 BFGA F[C@@H](Cl)[C@](F)(Cl)C(F)(F)F 63148526 YGFIGGVCQHKDOL-JCYAYHJZSA-N 202.937 2.988 50 50 BFGA O=C(O)[C@H](Cl)[C@H](Cl)c1ccccc1 1712233 AUOKIBFNYTZTGY-HTQZYQBOSA-N 219.067 2.659 50 50 BFGA C=C[Si](OC(C)C)(OC(C)C)OC(C)C 169747821 MABAWBWRUSBLKQ-UHFFFAOYSA-N 232.396 2.926 50 50 BFGA Fc1ncc(C(F)(F)F)cc1CCl 238594957 NZADYACDNMSTJK-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA Cc1ccc(NC(=O)C(Cl)Cl)cc1 1733668 RPIGRQVPOZXDDV-UHFFFAOYSA-N 218.083 2.737 50 50 BFGA ClCc1ncccc1Br 34263323 FGRPSQGAABFCHF-UHFFFAOYSA-N 206.470 2.583 50 50 BFGA in-vitro O=C(CCCCl)Nc1ccc(Cl)cn1 2567129 GGIORPWZMAUTBG-UHFFFAOYSA-N 233.098 2.693 50 50 BFGA in-vitro Cc1cc(Br)cnc1CCl 90500506 BOZSCICYPVCIGV-UHFFFAOYSA-N 220.497 2.891 50 50 BFGA in-vitro CN(CC(Cl)Cl)C(=O)c1ccccc1 808248123 CMKKCEPDQKOVOP-UHFFFAOYSA-N 232.110 2.562 50 50 BFGA Cc1ccc(C)c2c(=O)cc(CCl)[nH]c12 8703729 CMLVRHPZEYBTMX-UHFFFAOYSA-N 221.687 2.884 50 50 BFGA in-vitro O=C1OC(=O)[C@H]2CCCCCCCCC[C@H]12 101048118 WDICIBNWVAVLLJ-QWRGUYRKSA-N 224.300 2.827 50 50 BFGA C[Si](C)(CCl)N[Si](C)(C)CCl 170154845 SXSNZRHGAMVNJE-UHFFFAOYSA-N 230.287 2.542 50 50 BFGA in-vitro Cc1ccccc1/C=N/NC(=O)c1cccs1 232504 SNDQIQUTJAPHAV-NTEUORMPSA-N 244.319 2.820 50 50 BFGA CC(C)(C)CC(C)(C)NC(=O)CCl 1606598 KGGUTJMABKXMEL-UHFFFAOYSA-N 205.729 2.556 50 50 BFGA O=C1Cc2cc(CCCl)c(Cl)cc2N1 2524898 ZTQQXEPZEYIVDK-UHFFFAOYSA-N 230.094 2.616 50 50 BFGA in-vitro Cc1ccccc1Pc1ccccc1C 2559508 QHRVFPPZMPHYHA-UHFFFAOYSA-N 214.248 2.933 50 50 BFGA C[PH](C)(c1ccccc1)c1ccccc1 100650655 PCFBKGAFAFGNFE-UHFFFAOYSA-N 216.264 2.647 50 50 BFGA O=C(CCl)O[C@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 257357619 PBPMGYJFCCORSG-VGBILLHSSA-N 228.719 2.593 50 50 BFGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccco1 227791 JDOAVVHTJZOKLO-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA COc1ccc(C=C(C#N)C#N)cc1Cl 4089553 FXSBZPPHACAHRH-UHFFFAOYSA-N 218.643 2.779 50 50 BFGA N#Cc1cccc(F)c1CBr 37594113 QCKKUQZIPJBLQF-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro C/C(=N/NC(=O)Nc1ccccc1)C1CC1 12342875 RKPDCNZENJEYDC-ZROIWOOFSA-N 217.272 2.594 50 50 BFGA O=C1CCC=C2[C@H](Br)[C@H]3CC[C@@H]1[C@@H]23 34218395 MTBNVAZHCRNBKS-SEZOGAINSA-N 241.128 2.695 50 50 BFGA Cc1cc(Cl)c(N=C=O)cc1N=C=O 2560429 AULVDVFFHZBVDO-UHFFFAOYSA-N 208.604 2.583 50 50 BFGA O=C(Cl)c1ncoc1-c1ccccc1 2582859 BYLADISDYODORG-UHFFFAOYSA-N 207.616 2.721 50 50 BFGA in-vitro COc1cccc(F)c1CBr 12359151 PVKFBCBTHHTDEX-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro COc1ccc(NC(=O)CCCl)c(C)c1 13322631 RHRZNQDYJFZOBS-UHFFFAOYSA-N 227.691 2.571 50 50 BFGA in-vitro COC(=O)C1(CBr)CCCCC1 238372871 TWFWEWQJXCQERH-UHFFFAOYSA-N 235.121 2.505 50 50 BFGA in-vitro CC(C)(CBr)CBr 1711335 UXAFLFGXSIWWMY-UHFFFAOYSA-N 229.943 2.802 50 50 BFGA in-vitro CCOC(=O)/C(C#N)=C(/C)c1ccccc1 12412129 AJDOTEWSLNGINB-BENRWUELSA-N 215.252 2.547 50 50 BFGA in-vitro COC(=O)c1ccc(C)cc1CBr 166332417 WHOZAPAPEBTBCC-UHFFFAOYSA-N 243.100 2.677 50 50 BFGA O=C(O)[C@@H](Br)c1ccccc1Cl 2585982 XHAPROULWZYBGA-ZETCQYMHSA-N 249.491 2.861 50 50 BFGA in-vitro CC(C)(C)NC(=O)c1cccc(CCl)c1 36929910 HZLCZZPCGHYUOL-UHFFFAOYSA-N 225.719 2.954 50 50 BFGA C[C@@H](I)CC(F)(F)F 2555223 SYXQWKHNRKDCIF-GSVOUGTGSA-N 237.990 2.762 50 50 BFGA in-vitro Cc1ccc(C(=O)N/N=C/c2cccs2)cc1 432042 RLSYPONHVIZWMZ-NTEUORMPSA-N 244.319 2.820 50 50 BFGA CCOC(=O)/C(C#N)=C/C=C\c1ccccc1 17354820 LXDIOTPAZODMST-OWQKPFLESA-N 227.263 2.713 50 50 BFGA CCOC(=O)/C(C#N)=C\c1ccc(C)cc1C 4714405 XFBJJLPHJOQCJV-JYRVWZFOSA-N 229.279 2.774 50 50 BFGA Cc1cccc(NC(=O)CCCl)c1C 5815580 CJRGXJCUQMDFFU-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA in-vitro Cc1ccccc1Cn1ccc(N=C=S)n1 2536552 ZHSMXGIERRISNV-UHFFFAOYSA-N 229.308 2.974 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@@H](O)CCl)C2 228762386 JGHSWJDRRYSECE-KQXIARHKSA-N 246.778 2.818 50 50 BFGA N#CSC[C@H](O)C12CC3CC(CC(C3)C1)C2 70451393 YMRPTBZGTXFQMO-RFMXUXEOSA-N 237.368 2.778 50 50 BFGA O=C(CCl)OC12CC3CC(CC(C3)C1)C2 164060 FDQLHIURACSAPA-UHFFFAOYSA-N 228.719 2.737 50 50 BFGA ClCSc1ncc(Br)cn1 86032216 OOSZOHABZPUSLG-UHFFFAOYSA-N 239.525 2.528 50 50 BFGA C/C(CC(C)C)=N\NC(=O)c1cccc(O)c1 3898267 KZJQUJLYKJIYGI-GXDHUFHOSA-N 234.299 2.544 50 50 BFGA C/C(=N/NC(=O)Nc1ccccc1)c1ccco1 12342878 UBDFQLGHPWPVCP-GDNBJRDFSA-N 243.266 2.825 50 50 BFGA CC[C@@H](Oc1ccccc1C)C(=O)Cl 40451363 OVNWMXIRUZIBQQ-SECBINFHSA-N 212.676 2.918 50 50 BFGA C[C@H](NC(=O)CCl)c1ccc2c(c1)CCC2 1875363467 BVMCCGOGRUALSZ-VIFPVBQESA-N 237.730 2.591 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2ccoc2C)s1 232385 XVROMXHMMIUPRJ-NTUHNPAUSA-N 248.307 2.722 50 50 BFGA COc1cc(C(C)=O)ccc1OCCCCl 4666713 RBBVSSYQKVBALO-UHFFFAOYSA-N 242.702 2.906 50 50 BFGA in-vitro Cc1ccc(C)c(NC(=O)[C@@H](C)Cl)c1 12504885 XFJQOYYSGXWMEA-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro O=C(Cc1ccccc1)N/N=C/[C@@H]1CC=CCC1 280732 JYCYQIDKLHLFHX-RGHBXIHOSA-N 242.322 2.687 50 50 BFGA CN(C)C[C@@H](Cl)c1ccccc1F 339057 CWXVQHFCGDMCEX-SECBINFHSA-N 201.672 2.667 50 50 BFGA N#CC(C#N)=Cc1c[nH]nc1-c1ccc(F)cc1 6628823 GVFDZUADAOXWIM-UHFFFAOYSA-N 238.225 2.646 50 50 BFGA CC(C)(C)c1nc(N)sc1SC#N 1398035 QZFYJPFYRDFWFI-UHFFFAOYSA-N 213.331 2.596 50 50 BFGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 238854290 NIRDDXXHNBLIBQ-DOLQZWNJSA-N 217.740 2.555 50 50 BFGA in-vitro CCC1(C)CC(=O)N(CCCCCl)C(=O)C1 148543011 MSVKNGXKRBAREZ-UHFFFAOYSA-N 245.750 2.571 50 50 BFGA O=C(N/N=C/c1ccccc1)c1cccc(F)c1 298626 PXHHZPGGESPJFS-MHWRWJLKSA-N 242.253 2.590 50 50 BFGA N#CSCC(=O)c1ccc(Cl)cc1 1677318 JSIQRJQKMVTGJN-UHFFFAOYSA-N 211.673 2.737 50 50 BFGA in-vitro CC(=O)c1ccc(OCCCCl)cc1O 2029396 KPADWTIRNNDRIY-UHFFFAOYSA-N 228.675 2.603 50 50 BFGA in-vitro Cc1ccc(/C=N/NC(=O)c2ccccc2)cc1 130702 TZBRMRLBEFLVNA-LFIBNONCSA-N 238.290 2.759 50 50 BFGA CCSc1ncccc1C(=O)Cl 2169160 HVBVEALTDTVCAO-UHFFFAOYSA-N 201.678 2.573 50 50 BFGA in-vitro O=C=Nc1cc(F)cc(C(F)(F)F)c1 2387270 WGSXKYXKAARAKD-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA CCCCOC(=O)N/N=C/c1ccccc1 2831351 JNUAOILGFANOSZ-JLHYYAGUSA-N 220.272 2.547 50 50 BFGA C/C(C=O)=C\c1cc(Br)ccc1O 4754665 PTOUVBVZTFVUGW-QPJJXVBHSA-N 241.084 2.757 50 50 BFGA Cc1ccc(O[C@@H](C)C(=O)Cl)c(C)c1 33433245 OSHSCMUTODLMKA-VIFPVBQESA-N 212.676 2.836 50 50 BFGA O=C(Cl)[C@H](Br)Cc1ccccc1 1627239 PLTQBSSKEGUDLB-MRVPVSSYSA-N 247.519 2.758 50 50 BFGA O=C(Cl)c1cc(F)ccc1Br 2243304 QIFDGTIOMAVGAQ-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro CCOc1ccccc1OCCCl 9261324 CKDUTEWYIDNOBF-UHFFFAOYSA-N 200.665 2.703 50 50 BFGA in-vitro C[C@H](Br)C(=O)Nc1cccc(F)c1 41693102 ISSRLGWQOCKVPM-LURJTMIESA-N 246.079 2.548 50 50 BFGA COC(=O)c1cc(Cl)ccc1N=C=S 169676218 DDZWTFVIWHBHTJ-UHFFFAOYSA-N 227.672 2.861 50 50 BFGA C[C@H](Br)C(=O)OCc1ccccc1 5064395 IZZIPPQWYVRGRS-QMMMGPOBSA-N 243.100 2.513 50 50 BFGA in-vitro O=C(NCCCc1ccccc1)C(Cl)Cl 5682652 NFRHHUVLPRPCQF-UHFFFAOYSA-N 246.137 2.539 50 50 BFGA O=C(Cl)c1ccc(F)cc1Br 14989305 AXZRUTPBQMAWLP-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA O=[N+]([O-])c1cccc(F)c1CBr 1995086 KKSODTKRSQTJFZ-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA CCCCCC(=O)N/N=C/c1cccs1 2756002 HZIGFUDQZTXISD-FMIVXFBMSA-N 224.329 2.779 50 50 BFGA CSC(Nc1ccc(F)cc1)=C(C#N)C#N 1986906 SUGBQBRFIXKBKQ-UHFFFAOYSA-N 233.271 2.859 50 50 BFGA CC(=O)[C@](C#N)(CCCl)c1ccccc1 132754841 UAAQFMGMLJTKQE-GFCCVEGCSA-N 221.687 2.666 50 50 BFGA N#CC1=CC(=C2C=CC=CC=C2)C=C1C#N 514260772 APOOSRNNXRVSDM-UHFFFAOYSA-N 204.232 2.879 50 50 BFGA O=C(NNc1ccccc1)c1ccccc1F 298839 DZJAWZALRXVTJU-UHFFFAOYSA-N 230.242 2.583 50 50 BFGA COC(=O)c1ccc(Cl)cc1N=C=S 169676219 MNDBTUUTHIRHNU-UHFFFAOYSA-N 227.672 2.861 50 50 BFGA CN(C)C(=O)c1ccc(C(Cl)Cl)cc1 1857796603 XABLQJBUJDTIMP-UHFFFAOYSA-N 232.110 2.865 50 50 BFGA ClCc1nccn1Cc1ccccc1 161482 VDIVGSUHQVOULM-UHFFFAOYSA-N 206.676 2.670 50 50 BFGA in-vitro CSc1nc(C)c(CCCl)c(Cl)n1 1637714 BMJPWOWQPVBEDT-UHFFFAOYSA-N 237.155 2.942 50 50 BFGA ClCc1nc2cc(Cl)ccc2[nH]1 18030027 CJNALUZDTPETCS-UHFFFAOYSA-N 201.056 2.955 50 50 BFGA in-vitro O=C(N/N=C/c1cccs1)C1CCCCC1 511105 PPMXEVUXNSONKL-UKTHLTGXSA-N 236.340 2.779 50 50 BFGA Cc1cccc(NC(=O)[C@H](C)Cl)c1C 19425247 RPCIFFJGMDXANG-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro C=CCNC(=O)[C@@H](Cl)c1ccccc1Cl 71774056 WFYPBKHAJNZOJW-JTQLQIEISA-N 244.121 2.922 50 50 BFGA Cc1cccc([N+](=O)[O-])c1CBr 34406315 MVLKTVRKDHDFOJ-UHFFFAOYSA-N 230.061 2.798 50 50 BFGA in-vitro C[C@@H](Cl)C(=O)NCc1coc2ccccc12 1875364502 SZEVMDNNVYPYPK-MRVPVSSYSA-N 237.686 2.676 50 50 BFGA Cn1nc(CCl)cc1-c1ccccc1 12370325 KAZKAWDJSYXNGK-UHFFFAOYSA-N 206.676 2.826 50 50 BFGA in-vitro COc1c(CCl)ccnc1C(F)(F)F 238380205 YLCXFMJTEIGNHF-UHFFFAOYSA-N 225.597 2.848 50 50 BFGA COc1ccc2c(C(=O)CCl)c[nH]c2c1 489018 KCKIWBIWXRTIEM-UHFFFAOYSA-N 223.659 2.598 50 50 BFGA biogenic,in-vitro BrCCCOc1ccccc1 1641051 NIDWUZTTXGJFNN-UHFFFAOYSA-N 215.090 2.850 50 50 BFGA in-vitro O=C=Nc1cccc(C(F)(F)F)c1F 152311 XBTHHWYOEISJNF-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA CCCCCC(=O)N/N=C/c1cccc(OC)c1 3001482 WDQDNNMXQPJQCO-RVDMUPIBSA-N 248.326 2.726 50 50 BFGA O=C(Cl)c1ncc(C(F)(F)F)cc1F 263623044 DDUCJLPEPYHEET-UHFFFAOYSA-N 227.544 2.619 50 50 BFGA O=C(N/N=C/c1ccccc1F)c1cccs1 228033 QCBZGENVAIMWML-RIYZIHGNSA-N 248.282 2.651 50 50 BFGA BrCCc1noc2ccccc12 31888174 ODERSCZIMBQSSX-UHFFFAOYSA-N 226.073 2.765 50 50 BFGA in-vitro C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Cl 6251216 JNHPAGIXYJDLQL-MRVPVSSYSA-N 224.687 2.708 50 50 BFGA [C-]#[N+][C@H](CC=C)S(=O)(=O)c1ccc(C)cc1 100206264 OEZHRMOVCQGFOJ-LBPRGKRZSA-N 235.308 2.590 50 50 BFGA O=C(CCCl)NCc1ccc(Cl)cc1 6332569 CJINUSIFYWTQPJ-UHFFFAOYSA-N 232.110 2.585 50 50 BFGA in-vitro O=C(CCCl)Nc1cc(F)ccc1F 13322629 LZGXREHKHPGFJK-UHFFFAOYSA-N 219.618 2.532 50 50 BFGA in-vitro Fc1ccccc1C#CCBr 113830711 QTIFDCKVZYPQKD-UHFFFAOYSA-N 213.049 2.572 50 50 BFGA Cc1cc2nc(C)c(CCCl)c(Cl)n2n1 5961188 QMOZCJFFQVTEJV-UHFFFAOYSA-N 244.125 2.781 50 50 BFGA O=C(Cl)CC(=O)Cc1ccc(Cl)cc1 263624136 NSZSIODSPILJCJ-UHFFFAOYSA-N 231.078 2.607 50 50 BFGA BrCc1ccc(-c2cc[nH]n2)cc1 725272456 FXCJCEKDETXYGI-UHFFFAOYSA-N 237.100 2.972 50 50 BFGA CCOC(=O)N/N=C(\C)c1ccc(C)cc1C 4948187 AGWAXAJPWLQELF-SDNWHVSQSA-N 234.299 2.774 50 50 BFGA O=C(Cl)c1ccc(Cl)c([N+](=O)[O-])c1 4261967 IWLGXPWQZDOMSB-UHFFFAOYSA-N 220.011 2.627 50 50 BFGA in-vitro CC(C)=NNC(=O)[C@H](C)Sc1ccccc1 439505 MMCARTXYQQYAIP-JTQLQIEISA-N 236.340 2.679 50 50 BFGA Cc1cccc(CCCOCCCl)n1 8701085 FELSJLSQHVBPSP-UHFFFAOYSA-N 213.708 2.578 50 50 BFGA O=C1[C@H]2CC[C@@H]3C=C(CC[C@H]1Br)[C@@H]32 71786628 IQWUNVDKQOJLQB-XCWAXFADSA-N 241.128 2.695 50 50 BFGA O=C(N/N=C/c1ccccc1)c1ccc(F)cc1 296781 WFTMUPMNCOTYAC-MHWRWJLKSA-N 242.253 2.590 50 50 BFGA N#Cc1c(F)cccc1CBr 82864458 CRAVAKDETSEXDE-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA O=C=Nc1ccc(C(=O)c2ccccc2)cc1 1724859 UUUAWYNSKSCNMD-UHFFFAOYSA-N 223.231 2.885 50 50 BFGA N#Cc1ccc(F)c(CBr)c1 9579629 JXQHMLRWRPHXIT-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro BrCc1ccc2nsnc2c1 87284 JEPACAAYCVWCFI-UHFFFAOYSA-N 229.102 2.586 50 50 BFGA in-vitro C[C@@H](Cl)C(=O)Nc1cc(Cl)ccc1O 2582381 YDWYALVTNUGOTL-RXMQYKEDSA-N 234.082 2.611 50 50 BFGA in-vitro Fc1nccc(C(F)(F)F)c1CCl 238599309 MJEVJJRZSFPZOL-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA Cc1cc(C)cc([P@@](=O)(O)c2ccccc2)c1 398695 APCAAURZLIJJPM-UHFFFAOYSA-N 246.246 2.525 50 50 BFGA O=C(NNc1ccccc1)OCc1ccccc1 1596918 AOCSTDDQEMIYAG-UHFFFAOYSA-N 242.278 2.940 50 50 BFGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)C1CC1 12343094 XXFCTZAFEIRUJB-UDKOXHGFSA-N 242.322 2.692 50 50 BFGA Cc1cccc(C(=O)NNc2ccccc2)c1 299220 XPXRRNRMHAJCJV-UHFFFAOYSA-N 226.279 2.752 50 50 BFGA CCO[Si](OCC)(OCC)C1CCCC1 170174246 MGGAITMRMJXXMT-UHFFFAOYSA-N 232.396 2.979 50 50 BFGA CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1 2035837 AZYRZNIYJDKRHO-UHFFFAOYSA-N 244.294 2.828 50 50 BFGA in-vitro O=C(CCBr)Nc1ccccc1F 2581844 RRUOWJWFMUGSMF-UHFFFAOYSA-N 246.079 2.549 50 50 BFGA N#CC(C(=O)NCc1ccco1)=C1CCCCC1 6883807 SQORRBQAWKTBOI-UHFFFAOYSA-N 244.294 2.680 50 50 BFGA CC(C)(C)OC(=O)NCCCCCl 39093477 BEKDZRXUWYOOPU-UHFFFAOYSA-N 207.701 2.530 50 50 BFGA in-vitro CC[C@H](Br)CBr 1693317 CZWSZZHGSNZRMW-BYPYZUCNSA-N 215.916 2.555 50 50 BFGA CCCCC[C@@H](Br)C(=O)OCC 2242578 GNCLPIAYAPQPOU-MRVPVSSYSA-N 237.137 2.893 50 50 BFGA CC[C@@H](Oc1ccc(OC)cc1)C(=O)Cl 36720656 YMUSJESQIJZTQC-SNVBAGLBSA-N 228.675 2.618 50 50 BFGA O=C(Cl)c1ccc([N+](=O)[O-])cc1Cl 2510105 KTHNITVDTYAHFF-UHFFFAOYSA-N 220.011 2.627 50 50 BFGA in-vitro C[C@@H](c1ccccc1)c1noc(CCl)n1 145109177 GDLCYOGFXGYRBU-QMMMGPOBSA-N 222.675 2.960 50 50 BFGA COc1nccc(CCl)c1C(F)(F)F 238425014 FKXBUVDXGKKAET-UHFFFAOYSA-N 225.597 2.848 50 50 BFGA CCc1cccc(NC(=O)CCCl)c1 5477406 KBVOIUIGETVACK-UHFFFAOYSA-N 211.692 2.816 50 50 BFGA in-vitro Cc1cccn2cc(CBr)nc12 35569204 MULJSYKHSXJXJY-UHFFFAOYSA-N 225.089 2.538 50 50 BFGA C[C@@H]1CCN(C(=O)CCl)[C@@H](c2ccco2)C1 1323269727 PTPPBSUKEQHSGY-NXEZZACHSA-N 241.718 2.818 50 50 BFGA O=[N+]([O-])c1ccc(CCBr)cc1 1666812 NTURQZFFJDCTMZ-UHFFFAOYSA-N 230.061 2.532 50 50 BFGA in-vitro CC[C@@H](Br)C(=O)OC(C)(C)C 2557929 RIUJWUWLGXBICR-ZCFIWIBFSA-N 223.110 2.502 50 50 BFGA in-vitro Cc1cc(C(=O)Cl)c(C(F)(F)F)o1 2564951 YJUNYUKKNWEHBQ-UHFFFAOYSA-N 212.554 2.986 50 50 BFGA O=C(O)[C@H](Br)c1ccccc1Cl 12359067 XHAPROULWZYBGA-SSDOTTSWSA-N 249.491 2.861 50 50 BFGA in-vitro CCOC(=O)/C(C#N)=C/C=C/c1ccccc1 17005529 LXDIOTPAZODMST-DEKJKZHBSA-N 227.263 2.713 50 50 BFGA COP(c1ccccc1)c1ccccc1 155979 OAADXJFIBNEPLY-UHFFFAOYSA-N 216.220 2.681 50 50 BFGA in-vitro Cc1ccc(NC(=O)CCCl)cc1C 1758402 GOGGKYKFPNAESG-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA in-vitro COc1ccccc1OCCCBr 8700962 DFYOBINAKRYPOT-UHFFFAOYSA-N 245.116 2.859 50 50 BFGA Cn1c(C=C(C#N)C#N)cc2ccccc21 406569 MGPIVIVTVRUPJA-UHFFFAOYSA-N 207.236 2.609 50 50 BFGA CCCO[Si](C)(OCCC)OCCC 169806507 RJMRIDVWCWSWFR-UHFFFAOYSA-N 220.385 2.835 50 50 BFGA COc1ccc(C)cc1NC(=O)CCCl 5682008 JRNHINTXBDHHIY-UHFFFAOYSA-N 227.691 2.571 50 50 BFGA in-vitro O=C(OC(=O)c1ccccc1)c1ccccc1 59331140 CHIHQLCVLOXUJW-UHFFFAOYSA-N 226.231 2.684 50 50 BFGA in-vitro O=C1c2ccccc2[C@@]2(OO)[C@H]3CC[C@@H](C3)[C@H]12 257359323 ZPECVIAPXCOQKT-DIUUZDHRSA-N 230.263 2.614 50 50 BFGA COc1c(F)c(F)cc(C(=O)CCl)c1F 396125820 LFQJMEIVDSVCSQ-UHFFFAOYSA-N 238.592 2.534 50 50 BFGA ClCCN(CCCl)c1ccccc1 951 ROSJKFFLIXTTAW-UHFFFAOYSA-N 218.127 2.971 50 50 BFGA in-vitro Fc1cccc(CCBr)c1 2384158 GLVSPVSJMYQIPJ-UHFFFAOYSA-N 203.054 2.763 50 50 BFGA in-vitro CC[C@H](Oc1ccc(F)cc1F)C(=O)Cl 40451356 HYUWDEJDNKJEID-QMMMGPOBSA-N 234.629 2.888 50 50 BFGA N#CC(C#N)=Cc1cc2cccnc2s1 675083680 GCFYFBVMLLHJHU-UHFFFAOYSA-N 211.249 2.727 50 50 BFGA Cc1cc(OC(F)F)ccc1NC(=O)CCl 2537734 JYIQMKNCEYYGAZ-UHFFFAOYSA-N 249.644 2.774 50 50 BFGA C=CP(=O)(OCCCl)OCCCl 1688373 LHHMNJZNWUJFOC-UHFFFAOYSA-N 233.031 2.834 50 50 BFGA O=[N+]([O-])c1cc(Cl)ccc1CCl 2567953 OMPHLGROCARZOU-UHFFFAOYSA-N 206.028 2.987 50 50 BFGA CCC[C@@H](Br)C(=O)OC(C)(C)C 34580712 HPRPAQRZFMQZLM-SSDOTTSWSA-N 237.137 2.892 50 50 BFGA CC(C)c1ccc(OCC(=O)Cl)cc1 5522925 YGVLHWFQKYVLFY-UHFFFAOYSA-N 212.676 2.954 50 50 BFGA in-vitro COC(=O)[C@H](Br)C1CCCCC1 1648976 FVRCRECNPNQSKL-MRVPVSSYSA-N 235.121 2.503 50 50 BFGA Cc1ccc(Cl)c(NC(=O)CCl)c1 1671444 TUIULJCXSZTGNE-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro COc1ccc(F)cc1CBr 12359110 LXUGHXUXEMUEKR-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA N#C/C(C(=O)c1ccccc1)=C1/CCCCCN1 18031768 NYFISKWSOTYSIX-BUHFOSPRSA-N 240.306 2.811 50 50 BFGA C[C@@H](Cl)C(=O)Nc1cnc2ccccc2c1 37391482 AOZIQRTWMQQNOF-MRVPVSSYSA-N 234.686 2.801 50 50 BFGA CCOC(=O)/C(O)=C(\C#N)c1ccc(C)c(C)c1 102312841 RGXNMCKUDPGCJB-SEYXRHQNSA-N 245.278 2.659 50 50 BFGA CC(C)(CCl)C(=O)Nc1cccc(O)c1 3104459 IBAQILBRCBFJDT-UHFFFAOYSA-N 227.691 2.596 50 50 BFGA CN(C)c1ccc(CBr)cc1 34961747 RRVJPTGJHFAJKD-UHFFFAOYSA-N 214.106 2.648 50 50 BFGA in-vitro C[Si](C)(C)OC(=O)Cc1ccccc1 170153520 WWCXSUHALKENOU-UHFFFAOYSA-N 208.333 2.607 50 50 BFGA C[C@@H](NC(=O)CCl)c1ccc2c(c1)CCC2 1875363466 BVMCCGOGRUALSZ-SECBINFHSA-N 237.730 2.591 50 50 BFGA CCN1C(=C(C#N)C#N)Sc2ccccc21 406644 FUVOBUXIWKXOPC-UHFFFAOYSA-N 227.292 2.877 50 50 BFGA O=[N+]([O-])c1ccc(Cl)cc1CCl 39251609 VERWATQGJOEFMQ-UHFFFAOYSA-N 206.028 2.987 50 50 BFGA in-vitro O=C(N/N=C/c1ccccc1)c1cccs1 154496 DYCJGWGGGQGNCL-UKTHLTGXSA-N 230.292 2.512 50 50 BFGA COC(=O)C[C@H](CCBr)C(C)C 43762925 QGEOZEZSWXJBHM-QMMMGPOBSA-N 237.137 2.607 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCNC1 197481891 UVNBNPBGKCEBMX-SNVBAGLBSA-N 215.413 2.760 50 50 BFGA in-vitro Cc1ccccc1Cn1cc(N=C=S)cn1 2536576 GXLNONUSBFFQHS-UHFFFAOYSA-N 229.308 2.974 50 50 BFGA Oc1nccc(CCl)c1C(F)(F)F 238710438 NXQXLPORSJTIMI-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA F[C@H](Cl)[C@](F)(Cl)C(F)(F)F 63148528 YGFIGGVCQHKDOL-NHYDCYSISA-N 202.937 2.988 50 50 BFGA O=[N+]([O-])c1ccc(CBr)c(F)c1 72232836 TWQCQFRJJOQBRP-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA in-vitro CC[C@H](Br)C(=O)Oc1ccccc1 1675122 ZPHQCPYPVCGUJF-VIFPVBQESA-N 243.100 2.766 50 50 BFGA CC(=O)NN(Cc1ccccc1)c1ccccc1 5639317 CJHWQBSRVALEOB-UHFFFAOYSA-N 240.306 2.744 50 50 BFGA FC(F)(F)c1ccc(CBr)cn1 34289369 IRQUWHXXVJARBK-UHFFFAOYSA-N 240.022 2.995 50 50 BFGA in-vitro ClC[C@@H](Cl)CCBr 2556806 KAXNIHBUEOVSFF-BYPYZUCNSA-N 205.910 2.618 50 50 BFGA in-vitro Cc1ccccc1-c1noc(CCl)n1 3399146 DNKNARHPWPLDBY-UHFFFAOYSA-N 208.648 2.784 50 50 BFGA in-vitro Cc1cccc(O[C@H](C)C(=O)Cl)c1C 33433240 PNHRNLFAIOSJMU-SECBINFHSA-N 212.676 2.836 50 50 BFGA FC(F)(F)[C@@H](Cl)C(Cl)Cl 103253433 UHUGFVKSZJCZEY-SFOWXEAESA-N 201.402 2.960 50 50 BFGA in-vitro ClC[C@@H]1CCCN1Cc1ccccc1 33824643 QDLRSEZDDYKFTJ-LBPRGKRZSA-N 209.720 2.890 50 50 BFGA ClCc1cnn(Cc2ccccc2)c1 54740368 ULBADXYYKLOCGK-UHFFFAOYSA-N 206.676 2.670 50 50 BFGA in-vitro CC1(C)OB([C@@H](Cl)CCC#N)OC1(C)C 1857786002 IILSKAVBMPAGON-QMMMGPOBSA-N 229.516 2.529 50 50 BFGA CCOC(=O)/C(C#N)=C/c1sccc1C 96168 RRTRJGJHFSDDES-RMKNXTFCSA-N 221.281 2.527 50 50 BFGA O=C(CCl)N1CCC=C(c2ccccc2)C1 1875377875 PUIJXIQMCANFSX-UHFFFAOYSA-N 235.714 2.541 50 50 BFGA CN(CCBr)c1cccc(F)c1 50006484 CINHRRFJRKLFBE-UHFFFAOYSA-N 232.096 2.657 50 50 BFGA in-vitro COc1ccc(Cl)cc1NC(=O)CCCl 2027891 DXHGFUVWTWXSFB-UHFFFAOYSA-N 248.109 2.916 50 50 BFGA in-vitro N#CSCCCOc1ccccc1F 2875154 BUSQWGBCMQNRMG-UHFFFAOYSA-N 211.261 2.809 50 50 BFGA CC(C)[C@@H](Oc1ccccc1)C(=O)Cl 12359631 WOKLTCPOXPCYSM-SNVBAGLBSA-N 212.676 2.855 50 50 BFGA in-vitro O=C=Nc1c(F)cc(F)cc1Br 2515966 NPRYGRLJCFTSBA-UHFFFAOYSA-N 233.999 2.695 50 50 BFGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)C1CC1 12343093 XXFCTZAFEIRUJB-ORDDCKFQSA-N 242.322 2.692 50 50 BFGA N#CSc1ccc(N)c(OC(F)(F)F)c1 38537364 VKDAECHSQMIRBN-UHFFFAOYSA-N 234.202 2.741 50 50 BFGA O=C(CCCl)Nc1ccc(F)c(F)c1 5568133 VBUIQHWEHAHIKQ-UHFFFAOYSA-N 219.618 2.532 50 50 BFGA in-vitro C=CCN(/N=C/c1ccccc1)C(=O)OCC 261508665 VPNCLKWEWRFDOA-SDNWHVSQSA-N 232.283 2.665 50 50 BFGA O=C(N/N=C/c1ccco1)c1cccc(Cl)c1 254299 XKXMPPYHHCVVBF-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA CC(=O)c1cccc(NC(=O)C(Cl)Cl)c1 473291 JSNAPJWCUUYHTM-UHFFFAOYSA-N 246.093 2.631 50 50 BFGA BrCCCCBr 1696823 ULTHEAFYOOPTTB-UHFFFAOYSA-N 215.916 2.556 50 50 BFGA in-vitro CCN(C(=O)CCl)c1cccc(C)c1 4498413 HDVSUKKVAMUTGV-UHFFFAOYSA-N 211.692 2.587 50 50 BFGA O=C(Cl)c1c(F)cccc1Br 14989307 ZQOQNOOLDFFUDH-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA CCC[C@H](N=C=S)C(=O)OC(C)(C)C 757186924 GGNHENVTOKATKJ-QMMMGPOBSA-N 215.318 2.600 50 50 BFGA CC(C)/C(C#N)=C/B1OC(C)(C)C(C)(C)O1 1857784881 RGEGJKBTWKCSPR-JXMROGBWSA-N 221.109 2.724 50 50 BFGA Cc1scc(C(=O)N/N=C/c2ccco2)c1C 1009104 UVDSVSIPKFQZHZ-AWNIVKPZSA-N 248.307 2.722 50 50 BFGA CSc1ccccc1/C(C)=C(/C#N)C(=O)O 3086302 DLGBSOOKWKOOQG-NTMALXAHSA-N 233.292 2.790 50 50 BFGA COC(=O)c1ccc(N=C=S)c(Cl)c1 31829469 CABURNPHEZMYSJ-UHFFFAOYSA-N 227.672 2.861 50 50 BFGA N#C/C=C(\Cl)c1ccc([N+](=O)[O-])cc1 2528667 PWJDADFQYZTUAQ-UITAMQMPSA-N 208.604 2.698 50 50 BFGA in-vitro CCCn1c(CCl)nc2cccnc21 66352073 FAQLGHAJTIQVOY-UHFFFAOYSA-N 209.680 2.580 50 50 BFGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1 169838471 SCSMCZJZQYDACU-JTQLQIEISA-N 215.413 2.760 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1 197338791 SCSMCZJZQYDACU-SNVBAGLBSA-N 215.413 2.760 50 50 BFGA in-vitro C[C@@H](Oc1ccccc1Cl)C(=O)Cl 33433462 CDGDMQMBRZYOND-ZCFIWIBFSA-N 219.067 2.873 50 50 BFGA in-vitro Cc1cc(C(=O)CBr)ccc1F 34586642 PFWAGSRBBGFIOF-UHFFFAOYSA-N 231.064 2.712 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OC[C@@H](O)CCl 197193451 YBYOMEPBOMOSIB-QMMMGPOBSA-N 224.804 2.608 50 50 BFGA Fc1ccc(CBr)c(F)c1F 8100950 DGSXDQVPGXFOAN-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro COC(=O)c1cc(N=C=S)ccc1Cl 31829476 MUGNVHDAJWZBKJ-UHFFFAOYSA-N 227.672 2.861 50 50 BFGA BrCCCN1CC2CCC(CC2)C1 96027331 LMTGPWMORUDZKJ-UHFFFAOYSA-N 246.192 2.893 50 50 BFGA O=C(CCl)O[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 104311845 PBPMGYJFCCORSG-GBVMLCMLSA-N 228.719 2.593 50 50 BFGA Fc1ncc(CCl)cc1Br 138262545 ONVXILFQDMYMEP-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA F[C@@H](Cl)OC(F)(F)[C@@H](F)C(F)(F)F 4266028 GPRYVSOUOYKCHJ-NHYDCYSISA-N 234.498 2.988 50 50 BFGA in-vitro O=C(O)c1ccc(N=C=S)c(Cl)c1 31829451 BIRVJUUZEVMBSH-UHFFFAOYSA-N 213.645 2.773 50 50 BFGA O=C=Nc1cccc(F)c1Br 155858280 WWTCWGHBVVGMBQ-UHFFFAOYSA-N 216.009 2.556 50 50 BFGA O=C(Cl)c1c(F)ccc(Cl)c1F 2381665 LUTDLSSUGZTZBP-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA biogenic,in-vitro F[C@@](Cl)(Br)CBr 63148536 ZGOJBBYSXFXRKB-UWTATZPHSA-N 240.297 2.638 50 50 BFGA in-vitro ClCCNC[C@H](Cl)c1ccccc1 97973053 ISILJBOJKJIDSJ-JTQLQIEISA-N 218.127 2.795 50 50 BFGA C[C@H](Cl)C(=O)N(C)c1ccc2ncccc2c1 1875380342 MFIVYXJFGSUHOH-VIFPVBQESA-N 248.713 2.825 50 50 BFGA Cc1ccc(NC(=O)CCBr)cc1 1638414 HXKWPCCUDWGHIX-UHFFFAOYSA-N 242.116 2.719 50 50 BFGA C[C@@H](Cl)C(=O)Nc1nc2ccccc2s1 2638060 PGMYTKVYVIGKNK-ZCFIWIBFSA-N 240.715 2.862 50 50 BFGA CCOc1ccccc1NC(=O)[C@@H](C)Cl 12504911 IZRPVFOGMIDJRN-MRVPVSSYSA-N 227.691 2.651 50 50 BFGA in-vitro O=[N+]([O-])c1cc(F)cc(F)c1CCl 263625301 YNEGZFKBLPKSLQ-UHFFFAOYSA-N 207.563 2.612 50 50 BFGA CCCC(=O)NNc1ccc(Cl)cc1 2141553 AOUUNTQHCIVKOX-UHFFFAOYSA-N 212.680 2.583 50 50 BFGA C[C@@H](Cl)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 1875364867 WTXUTXRNOPGQQO-QZWZXBRZSA-N 241.762 2.651 50 50 BFGA CCCSc1ncccc1C(=O)Cl 2510226 FTEUTJYYROCUBI-UHFFFAOYSA-N 215.705 2.963 50 50 BFGA in-vitro Cc1ccc(C(=O)[C@H](C)Br)cc1 4283709 OZLUPIIIHOOPNQ-QMMMGPOBSA-N 227.101 2.961 50 50 BFGA in-vitro CC(C)(C)NC(=O)c1ccc(CCl)cc1 36929911 MILSPQRMPVEAJL-UHFFFAOYSA-N 225.719 2.954 50 50 BFGA in-vitro C[C@@H](Br)CCCBr 1648218 CNBFRBXEGGRSPL-RXMQYKEDSA-N 229.943 2.945 50 50 BFGA O=C(Cl)COc1ccc(F)cc1Cl 40451331 JZWFGGORSXJUQG-UHFFFAOYSA-N 223.030 2.623 50 50 BFGA in-vitro CCOC(=O)n1c(CCl)nc2ccccc21 4625564 HLQNQGSHORGGRP-UHFFFAOYSA-N 238.674 2.780 50 50 BFGA Nc1c(C(=O)CCl)ccc2ccccc12 5572511 AGUAMSMWZFKLSK-UHFFFAOYSA-N 219.671 2.844 50 50 BFGA CC(C)c1ccc(CCNC(=O)CCl)cc1 8981555 DMVLXAQUJBRWMC-UHFFFAOYSA-N 239.746 2.708 50 50 BFGA CCOc1ccccc1NC(=O)[C@H](C)Cl 12504912 IZRPVFOGMIDJRN-QMMMGPOBSA-N 227.691 2.651 50 50 BFGA in-vitro O=C=Nc1cccc2c(N=C=O)cccc12 1763322 SBJCUZQNHOLYMD-UHFFFAOYSA-N 210.192 2.774 50 50 BFGA in-vitro O=C(Cl)c1cc2cc(Cl)ccc2oc1=O 40451289 RLMRYRFPMMGSAT-UHFFFAOYSA-N 243.045 2.825 50 50 BFGA CC(C)(C)[Si](C)(C)OCc1ncccn1 306145190 FRGBRXALGMTAID-UHFFFAOYSA-N 224.380 2.998 50 50 BFGA O=[N+]([O-])c1ccc(F)c(CBr)c1 38589833 KQAKOKGCKNKARC-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA in-vitro CC(C)N(C(=O)CCl)c1ccc(F)cc1 141936108 BKSIERMKNBPHJD-UHFFFAOYSA-N 229.682 2.806 50 50 BFGA CC(C)n1ncc2cc(CCl)cnc21 253388091 BFFUDXBDEQXXAI-UHFFFAOYSA-N 209.680 2.751 50 50 BFGA C[C@@H](C(=O)O)c1ccc(CBr)cc1 4283572 QQXBRVQJMKBAOZ-SSDOTTSWSA-N 243.100 2.770 50 50 BFGA in-vitro O=C=Nc1ccc(CN2CCCCC2)cc1 12370303 XNVZPAQMEUGJEO-UHFFFAOYSA-N 216.284 2.640 50 50 BFGA O=C(CCl)Nc1ccc(CCl)c(F)c1 1775973829 ZFJRLUWNNDDXRF-UHFFFAOYSA-N 236.073 2.742 50 50 BFGA C[C@H](Br)c1nc(C(F)(F)F)no1 66324316 XVZLXGWSJWBPRB-REOHCLBHSA-N 244.998 2.544 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)C1 169806676 QNUGWZOQASOOEE-AOOOYVTPSA-N 216.397 2.779 50 50 BFGA CCc1ccc(/C=N/NC(=O)c2ccco2)cc1 227705 CGMGNIOCRGKDNT-XNTDXEJSSA-N 242.278 2.606 50 50 BFGA Cc1ccc(NC(=O)CCCCl)cc1 5363198 VBNCGNIEFDWBTF-UHFFFAOYSA-N 211.692 2.953 50 50 BFGA F[C@H](C(F)(F)F)C(F)(F)O[C@H](F)Cl 8698274 GPRYVSOUOYKCHJ-NCGGTJAESA-N 234.498 2.988 50 50 BFGA in-vitro Cc1cc(F)ccc1NC(=O)CCCl 13322618 NFISQKZNVKJGQW-UHFFFAOYSA-N 215.655 2.702 50 50 BFGA in-vitro Cc1ccccc1OCCBr 1871244 ABXRTJHEVCZIAG-UHFFFAOYSA-N 215.090 2.769 50 50 BFGA in-vitro CCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C 169876506 KOBAXFIJEBLKRZ-VIFPVBQESA-N 232.396 2.960 50 50 BFGA in-vitro CCN(CC)C(=S)SC/C=C(\C)C#N 952994914 WMQWYUQBBMNBIZ-RMKNXTFCSA-N 228.386 2.816 50 50 BFGA C[C@H](Br)C[C@H](C)Br 97998479 KUZOHDYKJXNCSI-WHFBIAKZSA-N 229.943 2.943 50 50 BFGA in-vitro Fc1cc(CBr)cc(F)c1F 2575054 MPEKZIYOLQCWLL-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro O=C(CCCCCBr)[C]1[CH][CH][CH][CH]1 103614709 ZFFANNCRQRHFKA-UHFFFAOYSA-N 242.136 2.916 50 50 BFGA O=C(CCl)O[C@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 104305677 PBPMGYJFCCORSG-NDCWEZFPSA-N 228.719 2.593 50 50 BFGA CCO[Si](C)(CCCCl)OCC 169746903 KEZMLECYELSZDC-UHFFFAOYSA-N 210.777 2.760 50 50 BFGA in-vitro O=C(CCl)c1csc(Br)c1 236010885 UITAYOWAXVMKJG-UHFFFAOYSA-N 239.521 2.932 50 50 BFGA BrCc1onc2ccccc12 166741354 GVIANCPCVKHYBD-UHFFFAOYSA-N 212.046 2.723 50 50 BFGA Cc1cccc(/C=N/NC(=O)c2ccccc2)c1 65447 UOAZLSKJQCOKMQ-LFIBNONCSA-N 238.290 2.759 50 50 BFGA CC(C)CC(=O)N/N=C/c1cc2ccccc2[nH]1 438948 MTQMCYBAQGWMTP-OQLLNIDSSA-N 243.310 2.664 50 50 BFGA O=CC1=C(Cl)c2cc(Cl)ccc2OC1 1081542 XEGONRKPLYJCFN-UHFFFAOYSA-N 229.062 2.881 50 50 BFGA COc1ccc(OCCCBr)cc1 1670360 FNLXODLTOAZUTD-UHFFFAOYSA-N 245.116 2.859 50 50 BFGA CCOC(=O)C(C#N)=Cc1ccc(Cl)cc1 1857777474 KLUDCHZOLVGLQF-UHFFFAOYSA-N 235.670 2.810 50 50 BFGA O=C(Cl)c1ccc(CBr)cc1 2559775 OPOIIZVRMQZRJP-UHFFFAOYSA-N 233.492 2.961 50 50 BFGA biogenic Cc1ccc(P(=O)(O)c2ccc(C)cc2)cc1 8021772 KLLICJFQHGANFI-UHFFFAOYSA-N 246.246 2.525 50 50 BFGA CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCl 19094146 IWYOLTOAYPMSIZ-VHSXEESVSA-N 231.767 2.946 50 50 BFGA in-vitro Clc1cccnc1CBr 83428680 SRDFDJYHNRNJOL-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA in-vitro Cc1cccc(Cl)c1NC(=O)CCl 1676664 BBQZKZIIRKKRBD-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA CC(C)OC(=O)CCCCCBr 32216015 ZCNHDLQYRACYQR-UHFFFAOYSA-N 237.137 2.893 50 50 BFGA Cc1cc(C(=O)Cl)ncc1Br 209750586 REMUVCHWMGYWFW-UHFFFAOYSA-N 234.480 2.532 50 50 BFGA Cc1cc(C(=O)NN=C2CCCCC2)c(C)o1 45300 HNKQFZNXCXLUOZ-UHFFFAOYSA-N 234.299 2.946 50 50 BFGA O=[N+]([O-])c1ccc(Cl)c(N=C=S)c1 2169731 QSSZYQDXSYYXKK-UHFFFAOYSA-N 214.633 2.983 50 50 BFGA in-vitro CCc1cccc(CC)c1NC(=O)CCl 145122 LBJVHMAYBNQJBK-UHFFFAOYSA-N 225.719 2.989 50 50 BFGA endogenous,in-man Cc1cc(Br)ccc1N=C=O 164904 NXAYRHQYINQHRF-UHFFFAOYSA-N 212.046 2.725 50 50 BFGA CCN(CCCl)c1ccc(C=O)c(C)c1 1848511 VPQJPICTQVMGOG-UHFFFAOYSA-N 225.719 2.873 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H]1CCOC1 169833442 XBZCNPDMSWMNJZ-VIFPVBQESA-N 202.370 2.797 50 50 BFGA Cc1ccc(NC(=O)NCCCl)c(C)c1 3159990 BXESVXHFYWTPFV-UHFFFAOYSA-N 226.707 2.664 50 50 BFGA in-vitro N#CSc1ccc(N)c(Br)c1 3887131 UUQUVDNHTRZTCV-UHFFFAOYSA-N 229.102 2.604 50 50 BFGA in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](CCl)C1 52507859 NLZPZOOLPLVGHZ-VIFPVBQESA-N 233.739 2.872 50 50 BFGA COc1ccc(Br)c(C(=O)Cl)c1 2559215 RZCQJXVXRYIJQE-UHFFFAOYSA-N 249.491 2.837 50 50 BFGA O=C=NCc1ccc(Cl)cc1Cl 2384734 FUIUATRKBRZCQD-UHFFFAOYSA-N 202.040 2.829 50 50 BFGA in-vitro Fc1ccccc1OCCBr 3269783 NSMQOWMNTQCZPM-UHFFFAOYSA-N 219.053 2.599 50 50 BFGA CC(C)Oc1ccc(NC(=O)CCl)cc1 5644317 HVOJEGURDPDERX-UHFFFAOYSA-N 227.691 2.651 50 50 BFGA in-vitro C[C@@H](Br)C(=O)c1cccs1 8729826 ISEXQXDJGISUKO-RXMQYKEDSA-N 219.103 2.714 50 50 BFGA CCO[C@@H]1C[C@H](c2ccccc2)C(C#N)=C(C)N1 25631266 MEOCPJARYOOBHA-UKRRQHHQSA-N 242.322 2.924 50 50 BFGA Oc1ccc(C(F)(F)F)nc1CCl 238713457 JPZBSMXLNZYQSU-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA O=C(O)C[C@H](N=C=S)C1CCCCC1 757188213 MQHLEKVIEXPLJV-VIFPVBQESA-N 213.302 2.513 50 50 BFGA O=C(O)[C@@H](Cl)[C@@H](Cl)c1ccccc1 1712230 AUOKIBFNYTZTGY-YUMQZZPRSA-N 219.067 2.659 50 50 BFGA Cc1cc(N=C=O)ccc1Br 2387337 AYFMPMKATOGAGY-UHFFFAOYSA-N 212.046 2.725 50 50 BFGA in-vitro CC(C)(C)OC(=O)N1CCC(CCl)CC1 12336565 CTSABEXZMPJSGO-UHFFFAOYSA-N 233.739 2.872 50 50 BFGA in-vitro ClCCN[C@H](CCl)c1ccccc1 97973054 JGNPHXMBLUOPPV-SNVBAGLBSA-N 218.127 2.795 50 50 BFGA ClC1CCN(Cc2ccccc2)CC1 2566483 HEDDTLVBWCOBRG-UHFFFAOYSA-N 209.720 2.890 50 50 BFGA in-vitro C/C(=N\NC(=O)C1CC1)c1ccc(C)c(C)c1 4996599 FPNYAHZSKKLVFF-RVDMUPIBSA-N 230.311 2.554 50 50 BFGA CC/C=C/C[C@@]1(C)OC[C@@H](CCl)O1 22205442 BUOBUCPJOJMEHJ-CFUOYWMPSA-N 204.697 2.713 50 50 BFGA C[C@@H]1CC(=O)Nc2ccc(C(=O)CCl)cc21 34448776 MEQNDIBPLZUSEM-SSDOTTSWSA-N 237.686 2.554 50 50 BFGA Fc1cccc(-c2noc(CCl)n2)c1 34797578 OFVIHHHWOQCWEK-UHFFFAOYSA-N 212.611 2.615 50 50 BFGA in-vitro Cc1ccc(N=C=O)cc1C(F)(F)F 2585391 XWSZWQGFJRBXMO-UHFFFAOYSA-N 201.147 2.981 50 50 BFGA in-vitro O=C(Cl)c1ccc(F)c(Cl)c1F 2382119 XGKKQSXUVHMKGM-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA biogenic,in-vitro N#C/C(C(=O)CCl)=C1/C=Cc2ccccc2N1 100020179 MYXIEZLONDAQEJ-ZRDIBKRKSA-N 244.681 2.711 50 50 BFGA in-vitro O=C(Cl)c1cc(Cl)cnc1Cl 2558018 VRJMAKCJTSZUQR-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA in-vitro CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 33434917 FEQKLTOBQAFPHM-UHFFFAOYSA-N 243.646 2.518 50 50 BFGA Cc1ccccc1C(=O)NNc1ccccc1F 152944151 QQBVVEGOFKNPDX-UHFFFAOYSA-N 244.269 2.891 50 50 BFGA Oc1ccc(CCl)c(C(F)(F)F)n1 238716127 JLUSDZCVVWWOJD-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA O=C(O)[C@H](Cl)[C@@H](Cl)c1ccccc1 1712232 AUOKIBFNYTZTGY-JGVFFNPUSA-N 219.067 2.659 50 50 BFGA N#Cc1ccc(NC(=O)CCCCl)cc1 19092675 RCFZGBXDYJPYFR-UHFFFAOYSA-N 222.675 2.516 50 50 BFGA in-vitro O=C1CCCc2c1ccc(O)c2CCl 39219787 OQKHRMZDASDKDT-UHFFFAOYSA-N 210.660 2.650 50 50 BFGA CSc1ccccc1NC(=O)CCCl 12505120 GVBUGAFESKFYMX-UHFFFAOYSA-N 229.732 2.976 50 50 BFGA in-vitro O=C(O)[C@H](Cl)CCCOc1ccccc1 71772953 VHOQVAZIXAJCHS-SNVBAGLBSA-N 228.675 2.538 50 50 BFGA O=C(Cl)COc1cccc(C(F)(F)F)c1 39406705 UWWXHNTUPXGBQX-UHFFFAOYSA-N 238.592 2.850 50 50 BFGA FC1(F)Oc2cccc(CCl)c2O1 91252130 ZASZKFQADMACSA-UHFFFAOYSA-N 206.575 2.747 50 50 BFGA in-vitro Cc1ccc(NC(=O)[C@@H](C)Br)cc1 3165547 TZDLHQHUDYMDAF-MRVPVSSYSA-N 242.116 2.717 50 50 BFGA C=CC[C@H](COC(=O)CCl)C(C)C 43198915 XZXJJSIAUCARJX-SECBINFHSA-N 204.697 2.617 50 50 BFGA C[C@@H](Cl)C(=O)Nc1ccc(C(F)F)nc1 1875376348 UBRMBZJLSQKHGP-RXMQYKEDSA-N 234.633 2.585 50 50 BFGA Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1 295750 NFRNQIUUFKWQQG-LFIBNONCSA-N 238.290 2.759 50 50 BFGA COCCN1CC[C@H](Cl)[C@H]2CCCC[C@H]21 252430786 JWQQYHIMQKCYSK-GRYCIOLGSA-N 231.767 2.505 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCOC1 169833440 XBZCNPDMSWMNJZ-SECBINFHSA-N 202.370 2.797 50 50 BFGA C[C@H]1CCC/C(=N\NC(=O)c2ccc(O)cc2)C1 4964228 PZFKYEQRCAWRHQ-PTFXAJSMSA-N 246.310 2.688 50 50 BFGA CCOc1ccc(OCC)c(C(=O)Cl)c1 12953089 SRINATMKXDIOTA-UHFFFAOYSA-N 228.675 2.863 50 50 BFGA Cc1ccsc1/C=N/NC(=O)c1ccoc1C 28539 VSCDIGGMZKAZCY-NTUHNPAUSA-N 248.307 2.722 50 50 BFGA BrCCCCO[C@@H]1CCCCO1 4071692 DFXFQWZHKKEJDM-SECBINFHSA-N 237.137 2.705 50 50 BFGA in-vitro COc1cc(F)c(CBr)c(F)c1 2527848 JCRQCVDDBZVTMB-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA COc1ccc2c(c1)CCC(C=O)=C2Cl 2577518 BDKNTMQPRHCITN-UHFFFAOYSA-N 222.671 2.790 50 50 BFGA in-vitro O=C(CCCl)Nc1ccccc1Cl 5868571 SYKFGYQIAQITOF-UHFFFAOYSA-N 218.083 2.907 50 50 BFGA in-vitro N#CSCC(=O)c1sccc1Cl 8730088 NWWCEVLYKLMRQZ-UHFFFAOYSA-N 217.702 2.798 50 50 BFGA CC(C)=NNC(=O)C(C)(C)Oc1cccc(C)c1 45068334 WQAAHQAJEDFRFR-UHFFFAOYSA-N 248.326 2.664 50 50 BFGA C#CP(=O)(c1ccccc1)c1ccccc1 136144024 DVERTYATJOQUGS-UHFFFAOYSA-N 226.215 2.591 50 50 BFGA Cc1ccc(O[C@@H](C)C(=O)Cl)cc1C 33433243 LUUGKJSEGMOEKP-VIFPVBQESA-N 212.676 2.836 50 50 BFGA O=C(Cl)c1ccnc(Cl)c1Cl 71773580 JWLTWCYNFFQELG-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA O=C(CCl)N1CCCSc2ccccc21 1341523718 HWTDUFLNDFTPES-UHFFFAOYSA-N 241.743 2.754 50 50 BFGA O=C(Cl)c1ccc(Br)cc1 1566597 DENKGPBHLYFNGK-UHFFFAOYSA-N 219.465 2.828 50 50 BFGA COc1cc(Cl)ccc1NC(=O)CCl 3080938 FIWPYVIASWIELE-UHFFFAOYSA-N 234.082 2.526 50 50 BFGA O=C(CCCl)NCc1cccc(Cl)c1 13322620 YULIOQXLKNFWAF-UHFFFAOYSA-N 232.110 2.585 50 50 BFGA in-vitro Br[C@H]1CCCC[C@H]1[n+]1ccccc1 5583145 NMUIXRWQDLORQL-WDEREUQCSA-N 241.152 2.853 50 50 BFGA O=C(Cl)c1cccc(Cl)c1[N+](=O)[O-] 36533184 ZNBNVUUCAFMGIK-UHFFFAOYSA-N 220.011 2.627 50 50 BFGA ClCc1ccc(Br)cn1 39120771 YESFMWFCJUGBLH-UHFFFAOYSA-N 206.470 2.583 50 50 BFGA in-vitro O=C1[C@@H](Br)CCC2=C[C@H]3CC[C@@H]1[C@@H]23 34082811 IQWUNVDKQOJLQB-SFKDOBOXSA-N 241.128 2.695 50 50 BFGA Cc1ccccc1/C=C1/C(=O)ON=C1CCl 34926728 JCDBNEOZROKDSW-UXBLZVDNSA-N 235.670 2.530 50 50 BFGA Cc1nc(C(F)(F)F)ccc1C(=O)Cl 2576773 NXGBKYDPTQMSFS-UHFFFAOYSA-N 223.581 2.788 50 50 BFGA N#C/C(=C/c1ccc[nH]1)c1ccc(C#N)cc1 5027804 RUSCWFCAERXUKD-JYRVWZFOSA-N 219.247 2.951 50 50 BFGA ClCCNC1C2CC3CC(C2)CC1C3 12362970 IGKRHQNPRADDCR-UHFFFAOYSA-N 213.752 2.640 50 50 BFGA FC(F)(F)[C@@H](Br)CCl 100036708 UBARSPZYKDIADS-REOHCLBHSA-N 211.408 2.551 50 50 BFGA in-vitro CC/C(O)=C(\C#N)c1nc2ccccc2n1C 100505141 YCOLKYOTVICOKL-XFXZXTDPSA-N 227.267 2.776 50 50 BFGA N#Cc1ncc(N=C=S)cc1C(F)(F)F 114825152 NQNLQGJLAVDALO-UHFFFAOYSA-N 229.186 2.706 50 50 BFGA ClCCNCc1ccc(Cl)cc1 2168045 RTLIGGJOFZPAKZ-UHFFFAOYSA-N 204.100 2.668 50 50 BFGA CC[C@@H](N)CO[Si](C)(C)C(C)(C)C 196702136 ZHCJQVABVSLUJB-SECBINFHSA-N 203.402 2.746 50 50 BFGA in-vitro O=C(O)CCCC[C@H]1CCSS1 1532729 AGBQKNBQESQNJD-ZETCQYMHSA-N 206.332 2.785 50 50 BFGA endogenous,world [C-]#[N+][C@@H](CCC)S(=O)(=O)c1ccc(C)cc1 100264256 KAEDHYMVPXWAGH-GFCCVEGCSA-N 237.324 2.814 50 50 BFGA C[C@@H]1CCC/C(=N/NC(=O)[C@@H]2CC23CCC3)C1 4950161 PZZJZMXFOSWBFN-XJFJYSLDSA-N 234.343 2.859 50 50 BFGA C[C@@H](Br)C(=O)Nc1ccc(F)cc1 9262851 ZYPHUTLRFAVKHO-ZCFIWIBFSA-N 246.079 2.548 50 50 BFGA O=C(N=C=S)C12CC3CC(CC(C3)C1)C2 34273829 DWGFZKBIFZTFSE-UHFFFAOYSA-N 221.325 2.832 50 50 BFGA CC(C)(Oc1ccc(F)cc1F)C(=O)Cl 40451399 DCKQLPCCVQGVPK-UHFFFAOYSA-N 234.629 2.888 50 50 BFGA Cc1ccc(-c2c(C(=O)NN)csc2C)cc1 2559453 GOFAEMWYFMPWRB-UHFFFAOYSA-N 246.335 2.635 50 50 BFGA Cc1occc1C(=O)N/N=C/C=C/c1ccco1 2573354 SDNJZKHNKCERSG-FFDQLCTRSA-N 244.250 2.610 50 50 BFGA Cc1ccc(NC(=O)CCl)c(Cl)c1 3289305 KXMOYTJTIBDNBN-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro ClCCN(CCCl)Cc1ccccc1 95676853 VLWJKVNMRMHPCC-UHFFFAOYSA-N 232.154 2.966 50 50 BFGA in-vitro O=C(CCl)COc1ccc(F)c(Cl)c1 675067587 KJOBXLKOLYSNEA-UHFFFAOYSA-N 237.057 2.666 50 50 BFGA O=C=NCCc1ccc(Cl)cc1Cl 2526523 GDBPHFFZTSTTKK-UHFFFAOYSA-N 216.067 2.872 50 50 BFGA in-vitro N#CC(C(=O)NC1CCCCC1)=C1CCCC1 6562379 YPYCCTFLFKQIFU-UHFFFAOYSA-N 232.327 2.829 50 50 BFGA Cc1cccc(NC(=O)[C@@H](C)Cl)c1C 19425245 RPCIFFJGMDXANG-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro CCOc1ccc(C(=O)CBr)cc1 2649911 VJMIEHFULCHDLD-UHFFFAOYSA-N 243.100 2.663 50 50 BFGA in-vitro CC(C)(C)OC(=O)CCCCBr 84310846 UYDIIUHJHUZDME-UHFFFAOYSA-N 237.137 2.893 50 50 BFGA in-vitro O=C(CCCCl)Nc1cccc([N+](=O)[O-])c1 3264088 KNMIIQANYVGPTJ-UHFFFAOYSA-N 242.662 2.552 50 50 BFGA COc1cc(CCl)c(C(F)(F)F)cn1 238399219 NCRBXVVNHPKJML-UHFFFAOYSA-N 225.597 2.848 50 50 BFGA O=C(CCl)Nc1ccc(F)c(Cl)c1 153687 DJPAQYXQRCWKEH-UHFFFAOYSA-N 222.046 2.656 50 50 BFGA biogenic,in-vitro Cc1cccc(C)c1NC(=O)[C@@H](C)Cl 4013806 QYFFOECQCIFQMX-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro C=CC(=O)OCCCCCCBr 118804573 JJOQTVHKJHBXEZ-UHFFFAOYSA-N 235.121 2.671 50 50 BFGA CCSC(=O)N[C@H]1CCCC[C@H]1Cl 5673873 SCRPTDDKWJMCPI-SFYZADRCSA-N 221.753 2.999 50 50 BFGA CCc1cccc(C)c1NC(=O)CCl 31316 SMINYPCTNJDYGK-UHFFFAOYSA-N 211.692 2.735 50 50 BFGA in-vitro CC(C)[C@H](Oc1ccccc1)C(=O)Cl 2581449 WOKLTCPOXPCYSM-JTQLQIEISA-N 212.676 2.855 50 50 BFGA in-vitro Cc1ccccc1NC(=O)[C@H](C)Br 5782923 GUIZTZZUXVCLHZ-QMMMGPOBSA-N 242.116 2.717 50 50 BFGA O=C(O)[C@@H](Br)c1ccc(Cl)cc1 12954371 KKOAAWLOOHBFQP-ZETCQYMHSA-N 249.491 2.861 50 50 BFGA in-vitro Cc1c(Br)cccc1N=C=O 83891026 PSXWSKMUMKTPLF-UHFFFAOYSA-N 212.046 2.725 50 50 BFGA in-vitro O=C(Cl)c1c(F)c(F)c(F)c(F)c1F 1627117 MYHOHFDYWMPGJY-UHFFFAOYSA-N 230.519 2.761 50 50 BFGA in-vitro CCc1ccc(NC(=O)CCCl)cc1 5477290 WQPYTZBEFRRILN-UHFFFAOYSA-N 211.692 2.816 50 50 BFGA in-vitro Cc1ccc(NC(=O)[C@@H](C)Cl)c(C)c1 12504889 NEZPQCNCNYYQMD-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro Fc1ccc(OCCCBr)cc1 1581165 VKNUENLPKPOOPS-UHFFFAOYSA-N 233.080 2.990 50 50 BFGA in-vitro O=C(CCCl)N1CCCc2ccccc21 2750400 STUVQWRFSPZHGV-UHFFFAOYSA-N 223.703 2.595 50 50 BFGA in-vitro Cc1cc(C)c(NC(=O)CCl)c(C)c1 3132099 YQYQXBOOGVRRKI-UHFFFAOYSA-N 211.692 2.789 50 50 BFGA in-vitro O=C(CCCl)Nc1nc2ccccc2s1 4866843 BDRXIJMJSBTEBN-UHFFFAOYSA-N 240.715 2.864 50 50 BFGA CC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 40451383 KIVLYYBGYVSYNY-VIFPVBQESA-N 243.646 2.518 50 50 BFGA O=C(CCl)[C@@H]1C[C@H]1c1ccsc1 1857785571 YKYXGTTVFPFXDY-JGVFFNPUSA-N 200.690 2.660 50 50 BFGA CCOC(OCC)(OCC)C(Cl)Cl 2386048 ZKMPARWUDMKPMZ-UHFFFAOYSA-N 231.119 2.553 50 50 BFGA in-vitro C=C(NC(=O)CCl)c1c(C)cc(C)cc1C 137690711 GZEVGNINWVUGFO-UHFFFAOYSA-N 237.730 2.938 50 50 BFGA CCOC(=O)N/N=C/c1c(F)cccc1Cl 273689 YGRPMDVMCXINLR-AWNIVKPZSA-N 244.653 2.559 50 50 BFGA CC[C@@H](Br)C(=O)N1CCCC[C@H]1C 14807085 MDQDUJLBYGNQJO-RKDXNWHRSA-N 248.164 2.561 50 50 BFGA CCO[C@H]1C[C@@H](c2ccccc2)C(C#N)=C(C)N1 25631261 MEOCPJARYOOBHA-ZFWWWQNUSA-N 242.322 2.924 50 50 BFGA CC(C)c1ccc(/C=C(/C#N)C(=O)O)cc1 12374274 MFDAAQBTCZHEOT-GHXNOFRVSA-N 215.252 2.802 50 50 BFGA in-vitro CSC(=O)N[C@@H]1CCCC[C@@H]1Cl 5515286 RVLOZZJUARUJMI-NKWVEPMBSA-N 207.726 2.609 50 50 BFGA CCOc1cccc(CBr)c1 36894797 FAFHBVMZMKSRHX-UHFFFAOYSA-N 215.090 2.980 50 50 BFGA in-vitro COC1CCC(CBr)CC1 96024910 UCOPXSOJPYCLOB-UHFFFAOYSA-N 207.111 2.587 50 50 BFGA in-vitro N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)O 284886 OAFGPPNLCPRGSM-FLIBITNWSA-N 239.230 2.938 50 50 BFGA C[C@@H](Br)c1ccc(C(=O)O)cc1 2163689 VICCYULHZWEWMB-ZCFIWIBFSA-N 229.073 2.841 50 50 BFGA N#CSCCOc1ccc(Cl)cc1 29546005 JVBCHRNKQZPMPN-UHFFFAOYSA-N 213.689 2.933 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 431658 KDCCYFXOTAWPLO-OQLLNIDSSA-N 242.278 2.660 50 50 BFGA Cc1cc(OCC(=O)Cl)ccc1Cl 9245897 AWRKVXYENKPUPW-UHFFFAOYSA-N 219.067 2.793 50 50 BFGA [C-]#[N+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C 95686715 ZAWPEVUURWHHNZ-GFCCVEGCSA-N 231.295 2.859 50 50 BFGA ClCc1nnc(-c2cccs2)o1 3287146 DKJUUMCXMOJMEI-UHFFFAOYSA-N 200.650 2.537 50 50 BFGA in-vitro CCOC(=O)CC1(CN=C=S)CCCCC1 71792107 BNXHAPCYIIDQIU-UHFFFAOYSA-N 241.356 2.993 50 50 BFGA CCN(C(=O)CCl)c1ccc2[nH]ccc2c1 1875374857 HMRXGUSPERRMIJ-UHFFFAOYSA-N 236.702 2.760 50 50 BFGA C[C@@H](Cl)c1cc(=O)oc2cc(O)ccc12 335134 OLKYVWSFQCVSLF-ZCFIWIBFSA-N 224.643 2.798 50 50 BFGA CC(C)=NNC(=O)[C@@H](C)Sc1ccccc1 439506 MMCARTXYQQYAIP-SNVBAGLBSA-N 236.340 2.679 50 50 BFGA Fc1ccc(F)c(CBr)c1 2539277 ONWGSWNHQZYCFK-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA O=C(Cl)c1cccc(Br)c1F 16159637 MCRKBWVSQZTERQ-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro O=C(Cl)c1c(Cl)ccnc1Cl 71773573 DFEDHTMKKUGCHV-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA O=C1OC(=O)[C@@H]2CCCCCCCCC[C@@H]12 101048126 WDICIBNWVAVLLJ-GHMZBOCLSA-N 224.300 2.827 50 50 BFGA COc1ccc([N+](=O)[O-])cc1OCCCCl 22162705 JHFBALWBVABSLF-UHFFFAOYSA-N 245.662 2.611 50 50 BFGA [C-]#[N+][C@H](CCC)S(=O)(=O)c1ccc(C)cc1 100264252 KAEDHYMVPXWAGH-LBPRGKRZSA-N 237.324 2.814 50 50 BFGA CCCN(C=O)/N=C/c1ccc(Cl)cc1 432454 XBOJZJUIWCIHSJ-MDWZMJQESA-N 224.691 2.542 50 50 BFGA O=C(NN=C1CCCCCCC1)c1cccnc1 273385 CVITUJHIVLJBAM-UHFFFAOYSA-N 245.326 2.912 50 50 BFGA O=C(Cl)CCCCCBr 2242612 HBPVGJGBRWIVSX-UHFFFAOYSA-N 213.502 2.707 50 50 BFGA in-vitro O[C@H](CCl)c1ccc(C(F)(F)F)cc1 133838023 BCEOMUNHBSIMFA-MRVPVSSYSA-N 224.609 2.978 50 50 BFGA in-vitro C[C@H](c1ccccc1)c1noc(CCl)n1 145108962 GDLCYOGFXGYRBU-MRVPVSSYSA-N 222.675 2.960 50 50 BFGA N#CC(C#N)=Cc1cccc(Br)c1 39944 KWFDPQVAZMUCMA-UHFFFAOYSA-N 233.068 2.880 50 50 BFGA Cc1ccc(C)c(NC(=O)CCCl)c1 5538928 RINULPAFJWFTTK-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA in-vitro C[C@H](Cl)C(=O)Nc1cc(Cl)ccc1O 5662376 YDWYALVTNUGOTL-YFKPBYRVSA-N 234.082 2.611 50 50 BFGA in-vitro CCC(CC)=NNC(=O)OC(C)(C)C 36437223 QXAFXWDPTQUVJK-UHFFFAOYSA-N 200.282 2.687 50 50 BFGA O=C=Nc1ccc(N2CCCCC2)cc1 12370206 LBAPMUBLHSYEQV-UHFFFAOYSA-N 202.257 2.644 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CO)C1 169806677 QNUGWZOQASOOEE-MGCOHNPYSA-N 216.397 2.779 50 50 BFGA CC/C(=N\NC(=O)c1ccoc1)c1cccs1 222172465 SWMIMWGZVFRPQH-JLHYYAGUSA-N 248.307 2.885 50 50 BFGA COc1cc(C)ccc1OCCCl 19094138 XXQYXKQZJWOWCJ-UHFFFAOYSA-N 200.665 2.621 50 50 BFGA in-vitro CCc1ccc(C(=O)CBr)cc1 19843006 XNYSPDGJBPTDDI-UHFFFAOYSA-N 227.101 2.827 50 50 BFGA in-vitro N#CSc1ccc(N)c(F)c1Cl 38537403 RCUGVUCRZOXCHL-UHFFFAOYSA-N 202.641 2.634 50 50 BFGA in-vitro C=C(CO)CO[Si](C)(C)C(C)(C)C 195870050 JODYQRNHEDLXPC-UHFFFAOYSA-N 202.370 2.557 50 50 BFGA in-vitro BrCc1cccc2nsnc12 158657 QKHNCECWIKLSSV-UHFFFAOYSA-N 229.102 2.586 50 50 BFGA in-vitro CCCC/C(CC)=C(\C#N)C(=O)OCC 1705845 CLACXXVIHNIEJQ-ZHACJKMWSA-N 209.289 2.970 50 50 BFGA COC(=O)c1cc(CBr)ccc1C 223667227 INXNZLBVXYDPSR-UHFFFAOYSA-N 243.100 2.677 50 50 BFGA Cc1c(C(=O)Cl)cnn1-c1ccccc1 2582814 VWZLNKSEPOXZKV-UHFFFAOYSA-N 220.659 2.560 50 50 BFGA in-vitro O=C(Cl)c1ccc(C(=O)C(F)(F)F)cc1 100250817 RBOMQQAMVJDXBU-UHFFFAOYSA-N 236.576 2.811 50 50 BFGA CO[Si](C[C@H](C)CC(C)(C)C)(OC)OC 169806504 UWSYCPWEBZRZNJ-SNVBAGLBSA-N 234.412 2.937 50 50 BFGA CC/C=C/C[C@]1(C)OC[C@H](CCl)O1 22205451 BUOBUCPJOJMEHJ-OCIBVNFRSA-N 204.697 2.713 50 50 BFGA Cc1ccc(Cl)c(OCC(=O)Cl)c1 40451326 BJTNCAQHYONIDJ-UHFFFAOYSA-N 219.067 2.793 50 50 BFGA Clc1ccnc(CBr)c1 95628546 GLSNQEHWJXTBDR-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA in-vitro N#C[C@]1(O)CCCC[C@H]1c1ccccc1 101370237 QIBMDZSPTGWYAU-QWHCGFSZSA-N 201.269 2.599 50 50 BFGA N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1Cl 283093 GGIHYGVNLFPXSY-UHFFFAOYSA-N 233.614 2.679 50 50 BFGA CCOc1ccc(C(=O)Cl)cc1OCC 2574142 CFNNQXOPPGQFHV-UHFFFAOYSA-N 228.675 2.863 50 50 BFGA in-vitro N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O 3886692 YIHQQDWZQKQXQE-CLTKARDFSA-N 242.061 2.985 50 50 BFGA CCCCCCC/C=C1/CC(=O)OC1=O 220074098 ZFGXGCZUWXCDFJ-NTMALXAHSA-N 210.273 2.747 50 50 BFGA CCn1ncc(/C=C(\C#N)C(=O)C(C)(C)C)c1C 6961243 AEURNAMNFNXJID-YRNVUSSQSA-N 245.326 2.734 50 50 BFGA O=C(Cl)c1cc(Br)ccc1F 20248556 LEGBISULKASFCD-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro CCCCCC[C@H](Br)C(=O)O 2242759 GTGTXZRPJHDASG-ZETCQYMHSA-N 223.110 2.805 50 50 BFGA in-vitro Br[C@H]1CCCC[C@@H]1[n+]1ccccc1 5583168 NMUIXRWQDLORQL-QWRGUYRKSA-N 241.152 2.853 50 50 BFGA COc1ccc2[nH]cc(C(=O)CCl)c2c1 523289 QBFUNASXZRQFBJ-UHFFFAOYSA-N 223.659 2.598 50 50 BFGA in-vitro S=C=Nc1ccc(-n2cccn2)cc1 158881 GLAOJNMWLIFKCG-UHFFFAOYSA-N 201.254 2.607 50 50 BFGA in-vitro Cc1ccc2[nH]cc(C(=O)CCl)c2c1 4384212 JYKPHNPNYVGFFG-UHFFFAOYSA-N 207.660 2.898 50 50 BFGA CCOC(=O)/C(C#N)=C(/C)c1ccc(OC)cc1 13113613 WJQUTHBBZNRIGS-RAXLEYEMSA-N 245.278 2.555 50 50 BFGA O=C(CCl)Nc1ccc(F)cc1Cl 3289280 HJPWJWHCDKYHGR-UHFFFAOYSA-N 222.046 2.656 50 50 BFGA in-vitro O=C(NN=C1CCCC1)c1ccccc1Cl 300544 DGXGOUXUMJPTEY-UHFFFAOYSA-N 236.702 3.000 50 50 BFGA Fc1cccc(-c2noc(CCl)n2)c1F 196178190 LITJXPZVKBURMM-UHFFFAOYSA-N 230.601 2.754 50 50 BFGA O=C(Cl)c1cc(F)c(Cl)nc1Cl 2387032 AATVXELAYCLVTJ-UHFFFAOYSA-N 228.437 2.907 50 50 BFGA in-vitro COC(=O)c1ccc(CBr)c(F)c1 2564698 OJBQAHZJVDWSFD-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA in-vitro O=C(Cl)c1cccc(F)c1Br 16159636 BIDXHLMXMWMYJC-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA Cc1cccc(O[C@@H](C)C(=O)Cl)c1C 33433241 PNHRNLFAIOSJMU-VIFPVBQESA-N 212.676 2.836 50 50 BFGA FC(F)(F)C(OCCl)C(F)(F)F 34279035 HHYFUCXZHKDNPT-UHFFFAOYSA-N 216.508 2.693 50 50 BFGA C[C@@H](Br)C(=O)Nc1ccccc1F 152356 HZFXBIFZXDJEIC-ZCFIWIBFSA-N 246.079 2.548 50 50 BFGA Cc1cc(C(=O)Cl)n(-c2ccccc2)n1 15441881 MWQCNQXAKUYTJK-UHFFFAOYSA-N 220.659 2.560 50 50 BFGA COc1cccc(N(C)C(=S)Cl)c1 2506765 PKDYOBNDEKFDQW-UHFFFAOYSA-N 215.705 2.655 50 50 BFGA Cc1ccc(/C=C2/C(=O)ON=C2CCl)cc1 34926730 VUSJRRXBGYNHSH-UXBLZVDNSA-N 235.670 2.530 50 50 BFGA BrC[C@H]1OCCc2ccccc21 68591616 YPRJYWJXSMVWPD-SNVBAGLBSA-N 227.101 2.695 50 50 BFGA in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@H](O)CCl)C2 252923020 JGHSWJDRRYSECE-NOHGZBONSA-N 246.778 2.818 50 50 BFGA N#CS[C@@H](C#N)Cc1cccc(Cl)c1 284894 NOSBUFMQYHAZOZ-SNVBAGLBSA-N 222.700 2.989 50 50 BFGA CCN(CC)C(=O)c1cccc(CCl)c1 34431993 RFRXWUPSZPRUFZ-UHFFFAOYSA-N 225.719 2.907 50 50 BFGA CCO[Si](CCCCl)(OCC)OCC 169743379 KSCAZPYHLGGNPZ-UHFFFAOYSA-N 240.803 2.664 50 50 BFGA in-vitro O=C(NCCCl)Nc1cccc(Cl)c1 1596671 IRLDFZCVRIBROP-UHFFFAOYSA-N 233.098 2.700 50 50 BFGA Cc1ccc(-c2nc(CCl)no2)cc1 12504969 XYVIJHIIGWPJAX-UHFFFAOYSA-N 208.648 2.784 50 50 BFGA in-vitro O=C1CCC=C2[C@H](Br)[C@H]3CC[C@H]1[C@@H]23 71786629 MTBNVAZHCRNBKS-PFSJRZQVSA-N 241.128 2.695 50 50 BFGA CCOc1cc(C=C(C#N)C#N)ccc1OC 283017 YJFXOGICHBAGKK-UHFFFAOYSA-N 228.251 2.524 50 50 BFGA Fc1cccc(F)c1CBr 2242587 LSXJPJGBWSZHTM-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA in-vitro C/C(O)=C(\C#N)[P@](C)(=O)OCC(C)C 100826330 RPSBGGBEOIKDCO-QIAWRQBBSA-N 217.205 2.880 50 50 BFGA N#CC(C#N)=Cc1ccc(Br)s1 97930 GFTOPUBXWAVPQJ-UHFFFAOYSA-N 239.097 2.941 50 50 BFGA Clc1ccc(CBr)nc1 39120765 XRXRADIPZRXCQJ-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA Fc1ccc(-c2nnc(CCl)o2)c(F)c1 22152917 SUFHNHWSKBLQSF-UHFFFAOYSA-N 230.601 2.754 50 50 BFGA O=C(Cl)OCC(F)(F)C(F)(F)F 167076601 YEYFLYDQBAHTBK-UHFFFAOYSA-N 212.501 2.559 50 50 BFGA in-vitro COc1cccc(-c2cc(CCl)[nH]n2)c1 397006098 SEKUGEONXDNJHF-UHFFFAOYSA-N 222.675 2.824 50 50 BFGA CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl 40451384 KIVLYYBGYVSYNY-SECBINFHSA-N 243.646 2.518 50 50 BFGA C[C@@H](Br)C(=O)c1ccccc1 157479 WPDWOCRJBPXJFM-SSDOTTSWSA-N 213.074 2.653 50 50 BFGA in-vitro CC(C)(C)C(=O)/C(C#N)=C/c1ccc(O)cc1 2504486 BDKGQXNLVUZZRR-DHZHZOJOSA-N 229.279 2.914 50 50 BFGA Fc1cc(Br)cnc1CCl 238575976 VRCLSNFHTTYJHF-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA in-vitro CC(C)(C)OC(=O)N1CCC(Cl)CC1 2527230 NZZWXABIGMMKQL-UHFFFAOYSA-N 219.712 2.625 50 50 BFGA in-vitro N#CC(C#N)=CNc1cccc2cccnc12 2543533 ZMPAGKROOOCMFU-UHFFFAOYSA-N 220.235 2.578 50 50 BFGA CCOc1cccc(OCCCl)c1 19094410 GVBWIVKMJWBPFT-UHFFFAOYSA-N 200.665 2.703 50 50 BFGA in-vitro O=C=Nc1cccc(OC(F)(F)F)c1 45329479 OKJYBJOTWLVTAO-UHFFFAOYSA-N 203.119 2.553 50 50 BFGA CC(C)C[C@@H](C)I 114051271 HUVYLVIBZCVAKG-ZCFIWIBFSA-N 212.074 2.856 50 50 BFGA O=C(CBr)c1ccc(Cl)cc1 159769 FLAYZKKEOIAALB-UHFFFAOYSA-N 233.492 2.918 50 50 BFGA in-vitro C[C@@H](Cl)C(=O)N1c2ccccc2C[C@H]1C 3316822 SJHLFEZNQZDFMP-RKDXNWHRSA-N 223.703 2.592 50 50 BFGA in-vitro COc1ccccc1OCCCSC#N 5361987 UZWANBJBQQMBOA-UHFFFAOYSA-N 223.297 2.678 50 50 BFGA CCOC(=O)/C(C#N)=C/c1ccc(OCC)cc1 49127 OJTPOZKRLMEHTI-FMIVXFBMSA-N 245.278 2.555 50 50 BFGA CC(C)(C)OC(=O)CCCBr 2391923 HJEZRYIJNHAIGY-UHFFFAOYSA-N 223.110 2.503 50 50 BFGA in-vitro C[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1 3278112 LARDKNUATHUMFI-ZCFIWIBFSA-N 218.083 2.906 50 50 BFGA in-vitro Cl[C@H]1CC[C@H]2CCC[C@H]1SOO2 101137611 OHMCGSWCNDVWLE-GJMOJQLCSA-N 208.710 2.905 50 50 BFGA O=C(OOC(=O)c1ccccc1)c1ccccc1 1016 OMPJBNCRMGITSC-UHFFFAOYSA-N 242.230 2.615 50 50 BFGA endogenous,fda O=C(CCl)OCc1ccc(Cl)cc1 1600942 OPNRROQNLHEHOY-UHFFFAOYSA-N 219.067 2.622 50 50 BFGA C[C@@H]1Cc2ccccc2N1C(=O)CCCl 2586699 BEVRPLJWSVKGCF-SECBINFHSA-N 223.703 2.593 50 50 BFGA Fc1ccccc1OCCCBr 4291212 GDBROVZRIQZCTA-UHFFFAOYSA-N 233.080 2.990 50 50 BFGA O=C=N[C@@H]1CCCC[C@H]1OCc1ccccc1 2548046 HWVZRVVQFLEXHN-ZIAGYGMSSA-N 231.295 2.850 50 50 BFGA COc1cccc(CCBr)c1 6019038 LQDHVNHVHAYANB-UHFFFAOYSA-N 215.090 2.633 50 50 BFGA Oc1nc(C(F)(F)F)ccc1CCl 238681540 QOTFCQGFTGYLHC-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA COC(=O)c1ccc(Cl)c(CCl)c1 96675733 BTRQEROYWWKDKN-UHFFFAOYSA-N 219.067 2.865 50 50 BFGA CCOc1ccc(OCC)c(C=C(C#N)C#N)c1 127656 LVIWWBUSTJUWDV-UHFFFAOYSA-N 242.278 2.915 50 50 BFGA O=C=N[C@H]1CCCC[C@@H]1OCc1ccccc1 2548112 HWVZRVVQFLEXHN-KBPBESRZSA-N 231.295 2.850 50 50 BFGA O=C(NN=C1CCCCC1)[C@H]1CC12CCC2 4950158 CYCBZDFMHSXTGY-LLVKDONJSA-N 220.316 2.613 50 50 BFGA BrCc1noc2ccccc12 2509747 MAIKTETULSZRED-UHFFFAOYSA-N 212.046 2.723 50 50 BFGA in-vitro Fc1ccc(CBr)c(F)c1 2539419 IBLMYGXJKQIGSN-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA COc1ccc(CBr)cc1 2570046 GIGRWGTZFONRKA-UHFFFAOYSA-N 201.063 2.590 50 50 BFGA in-vitro O=C(Cl)c1cc(Cl)ncc1Cl 306666877 AHVAQQPGXVFJFQ-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA O=C(N/N=C/[C@@H]1CC=CCC1)NC1CCCCC1 1424604 ROKMKIKCKFDGJO-PKVLTRFUSA-N 249.358 2.960 50 50 BFGA ClC[C@@H]1CN(Cc2ccccc2)CCCO1 38764940 WMNCXGQXIYXQLC-CYBMUJFWSA-N 239.746 2.516 50 50 BFGA in-vitro N#C/C(=C/c1ccncc1)c1ccncc1 6897165 CUSOMNKCPGAKBP-LCYFTJDESA-N 207.236 2.541 50 50 BFGA CC(C)(C)[Si](C)(C)OCCCCO 169744518 IJEMXJANZPVITP-UHFFFAOYSA-N 204.386 2.781 50 50 BFGA in-vitro Cc1cccc(NC(=O)[C@@H](C)Br)c1 9262841 JWZPPAQMKDCYJG-MRVPVSSYSA-N 242.116 2.717 50 50 BFGA CCOc1ccccc1-c1nnc(CCl)o1 1428468 LUYBUCONPKOOCL-UHFFFAOYSA-N 238.674 2.874 50 50 BFGA ClCc1cn2c(Br)cccc2n1 30677918 JCBOTFARJNZXEH-UHFFFAOYSA-N 245.507 2.836 50 50 BFGA in-vitro Cc1ccc(NC(=O)OCCCl)cc1 1699663 AUDBFZQXUVRMDA-UHFFFAOYSA-N 213.664 2.782 50 50 BFGA ClCCOc1cccc(OCCCl)c1 3123910 VVQCLPAXTIKHQZ-UHFFFAOYSA-N 235.110 2.922 50 50 BFGA N#CSC[C@@H](O)C12CC3CC(CC(C3)C1)C2 70451392 YMRPTBZGTXFQMO-CRIDGIJHSA-N 237.368 2.778 50 50 BFGA N#C[C@@H](Br)c1ccc([N+](=O)[O-])cc1 167916 GLXYIJPBMWDLPX-MRVPVSSYSA-N 241.044 2.554 50 50 BFGA COC(=O)/C(C#N)=C\c1cccc2ccccc12 4492533 SKXSARWCVFRQRV-LCYFTJDESA-N 237.258 2.920 50 50 BFGA Cc1cnc(CCl)c(Br)c1 238518231 BRGPXFHGTJDSHH-UHFFFAOYSA-N 220.497 2.891 50 50 BFGA in-vitro CN(C)c1ccc(/C=C/C=C/C=O)cc1 2022302 JYHAOJGBXVCDOC-GGWOSOGESA-N 201.269 2.521 50 50 BFGA CCO[Si](C)(C)[Si](C)(C)OCC 169975216 GWIVSKPSMYHUAK-UHFFFAOYSA-N 206.434 2.548 50 50 BFGA in-vitro C/C=C(\CC)C(=O)NNc1ccc(F)cc1 190061694 FUIJSOZZEHFMKV-YCRREMRBSA-N 222.263 2.625 50 50 BFGA Cc1cncc(Oc2ccc(C(=O)Cl)cc2)n1 12370728 HGYASQNSEYDOEQ-UHFFFAOYSA-N 248.669 2.956 50 50 BFGA ClCCCCCI 2579154 GUUHKOCYWBEGGX-UHFFFAOYSA-N 232.492 2.831 50 50 BFGA BrC[C@@H]1CC(c2ccccc2)=NO1 19088254 SQNMRBIAISMFMD-VIFPVBQESA-N 240.100 2.575 50 50 BFGA C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)F 169806633 ISUNIRMVMASACA-UHFFFAOYSA-N 236.212 2.562 50 50 BFGA C[C@H]1CCC/C(=N/NC(=O)[C@H]2CC23CCC3)C1 4950173 PZZJZMXFOSWBFN-GZVPVCSZSA-N 234.343 2.859 50 50 BFGA C[C@H](Br)C(=O)c1c(F)cccc1F 115368496 QOGKPUDETMYSPA-YFKPBYRVSA-N 249.054 2.931 50 50 BFGA COc1ccc(COCC/C=C\C=C/C=O)cc1 165586579 MIHANSHYOYMNFA-JVLMNHKTSA-N 246.306 2.913 50 50 BFGA COC(=O)C[C@H](C)O[Si](C)(C)C(C)(C)C 169834135 YMQKYTUCHSHLJI-VIFPVBQESA-N 232.396 2.960 50 50 BFGA Oc1c(CCl)ccnc1C(F)(F)F 238718020 NEYNMFKPLMPVML-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F 4262400 WFELVFKXQJYPSL-UHFFFAOYSA-N 232.482 2.585 50 50 BFGA in-vitro CCO[C@H]1C[C@H](c2ccccc2)C(C#N)=C(C)N1 25631274 MEOCPJARYOOBHA-HIFRSBDPSA-N 242.322 2.924 50 50 BFGA O=C1[C@H](Br)CCC2=C[C@H]3CC[C@@H]1[C@@H]23 34082814 IQWUNVDKQOJLQB-PEBGCTIMSA-N 241.128 2.695 50 50 BFGA CC(C)(C)[Si](C)(C)OCC[C@H]1C[C@H]1C(N)=O 601013407 UQTIJMIOAZIGNU-VHSXEESVSA-N 243.423 2.520 50 50 BFGA Cc1ccc(C)c([C@@H](C)NC(=O)CCl)c1 19094149 WFWAHWDSGXVMOJ-SNVBAGLBSA-N 225.719 2.719 50 50 BFGA in-vitro CCOC(=O)/C(O)=C(\C#N)c1cccc(C)c1C 102312856 MBIXFPRWTFYWGK-SEYXRHQNSA-N 245.278 2.659 50 50 BFGA CC(F)(F)c1ccccc1CNC(=O)CCl 1875369192 YSVWEVPIYJOOAX-UHFFFAOYSA-N 247.672 2.653 50 50 BFGA Cc1ccc2[nH]cc(C=C(C#N)C#N)c2c1 390486 XMFWJNDRXVBOPM-UHFFFAOYSA-N 207.236 2.907 50 50 BFGA F[C@H](Cl)OC(F)(F)[C@@H](F)C(F)(F)F 4266024 GPRYVSOUOYKCHJ-LWMBPPNESA-N 234.498 2.988 50 50 BFGA in-vitro BrCC1(CBr)CCC1 196114820 YMLYUDXIHNNLAJ-UHFFFAOYSA-N 241.954 2.947 50 50 BFGA C[C@H](NNC(=O)OC(C)(C)C)c1ccccc1 1843366 OLRFEBCHQKZIAX-JTQLQIEISA-N 236.315 2.777 50 50 BFGA Cc1cc(OS(=O)(=O)CCl)cc(C)c1C 71778022 RWKCSXCTWSVZCV-UHFFFAOYSA-N 248.731 2.517 50 50 BFGA Oc1cccc(Cl)c1CBr 238724308 JLLMKIVLWXILIE-UHFFFAOYSA-N 221.481 2.941 50 50 BFGA C/C(CC(C)C)=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252394301 FTYUJGZRCYECNZ-WYTJHSDVSA-N 236.359 2.961 50 50 BFGA Cn1cc(C(=O)CCl)c2ccccc21 527635 JTCYBIQASPKCFC-UHFFFAOYSA-N 207.660 2.600 50 50 BFGA O=C(Cl)c1ccc(F)c(Br)c1 1845844 HPHZOCIBMCWXCQ-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro O=C(CBr)c1cc(Cl)ccc1O 2511010 XZTLAMYFEVPMLG-UHFFFAOYSA-N 249.491 2.623 50 50 BFGA in-vitro C[C@H](Br)C(=O)c1ccccc1 157478 WPDWOCRJBPXJFM-ZETCQYMHSA-N 213.074 2.653 50 50 BFGA in-vitro Cc1cccc(CBr)c1[N+](=O)[O-] 39343018 INHZMDFMSBKUEF-UHFFFAOYSA-N 230.061 2.798 50 50 BFGA in-vitro CN(CCC1CCCCC1)C(=O)CCl 258636992 DQUYQPHBFRNNOK-UHFFFAOYSA-N 217.740 2.654 50 50 BFGA C[C@@](Cl)(CCl)C(=O)NC1CCCCC1 71774040 DMKUTDWLLHQBGH-SNVBAGLBSA-N 238.158 2.672 50 50 BFGA CC(C)[C@H](Br)C(F)(F)F 71791949 ZOPGBRVDWFPISZ-BYPYZUCNSA-N 205.017 2.968 50 50 BFGA N#CSc1ccc(Cl)c([N+](=O)[O-])c1 34925596 GRHGJYAFPDLXHM-UHFFFAOYSA-N 214.633 2.821 50 50 BFGA COc1ccc(NC(=O)CCCCl)cc1 3029237 GIEKMEFFAQGCGE-UHFFFAOYSA-N 227.691 2.653 50 50 BFGA COc1ccc(Cl)cc1NC(=O)CCl 266600 SPULYDBQXNEJJC-UHFFFAOYSA-N 234.082 2.526 50 50 BFGA in-vitro COc1cc(F)c(F)cc1CBr 12359283 PRLKVWCFDNQAED-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA CCC/C(C#N)=C\B1OC(C)(C)C(C)(C)O1 2325903865 AVVDODXLCOMOKW-CSKARUKUSA-N 221.109 2.868 50 50 BFGA CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 2386759 VHKZGNPOHPFPER-ONNFQVAWSA-N 249.335 2.795 50 50 BFGA in-vitro F[C@](Cl)(Br)CBr 63148535 ZGOJBBYSXFXRKB-REOHCLBHSA-N 240.297 2.638 50 50 BFGA in-vitro C[C@H](c1ccccc1)N1C(=O)OC[C@H]1CCl 139317 RDJVMESMFKYWJT-MWLCHTKSSA-N 239.702 2.807 50 50 BFGA Cc1cc(C)cc(NC(=O)CCCl)c1 5749777 ANVYFIHSSVDAFE-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA in-vitro CC[C@H](Br)C(=O)N1CCCCCC1 32919673 KUJYQJQCLSTBCS-VIFPVBQESA-N 248.164 2.563 50 50 BFGA in-vitro ClC[C@@H]1CCN(Cc2ccccc2)C1 39214376 QWGYCLIMHHUXSL-LBPRGKRZSA-N 209.720 2.747 50 50 BFGA N#CS[C@H](C#N)Cc1ccc(Cl)cc1 81553 AOUMWBIKKHDKSP-JTQLQIEISA-N 222.700 2.989 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)CO1 169835655 GLXYSXZRCSAXAS-JTQLQIEISA-N 230.380 2.714 50 50 BFGA CCN(C(=O)CCCl)c1ccccc1C 5708586 WRLMQMNWHVLBQU-UHFFFAOYSA-N 225.719 2.977 50 50 BFGA in-vitro O=C=Nc1cc(Br)ccc1F 19434135 FGZALBQBCCYHOW-UHFFFAOYSA-N 216.009 2.556 50 50 BFGA CC(C)(C)OC(=O)OC(=O)OC(C)(C)C 59729518 DYHSDKLCOJIUFX-UHFFFAOYSA-N 218.249 2.873 50 50 BFGA in-vitro COc1ccc(C=C(C#N)C#N)c(C)c1C 292872 JLAUXNUZFDBTHI-UHFFFAOYSA-N 212.252 2.743 50 50 BFGA O=C1OP(Cl)Oc2ccccc21 72399586 BVOITXUNGDUXRW-UHFFFAOYSA-N 202.533 2.702 50 50 BFGA in-vitro [C-]#[N+][C@H](C(C)C)S(=O)(=O)c1ccc(C)cc1 100019598 WOCSEJYLWXXSCQ-LBPRGKRZSA-N 237.324 2.670 50 50 BFGA in-vitro CC1(C)OC[C@H](N=C=S)[C@H](c2ccccc2)O1 214187520 AIQFKYSJQDYLHP-RYUDHWBXSA-N 249.335 2.982 50 50 BFGA CN(C)C[C@H](Cl)c1ccccc1F 339056 CWXVQHFCGDMCEX-VIFPVBQESA-N 201.672 2.667 50 50 BFGA O=C1OC(=O)C2=C1CCCCCCCCC2 101047873 NZIWDMOVCGOIOD-UHFFFAOYSA-N 222.284 2.891 50 50 BFGA COc1ccc(C(=O)NN=C2CCCCC2)cc1 250953 YFNFEESHNDXOEJ-UHFFFAOYSA-N 246.310 2.745 50 50 BFGA O=C(Cl)c1ccccc1Br 1699267 NZCKTGCKFJDGFD-UHFFFAOYSA-N 219.465 2.828 50 50 BFGA O=C(Cl)c1cc(Br)cs1 2527521 ZFFUAQAMUIHRON-UHFFFAOYSA-N 225.494 2.890 50 50 BFGA in-vitro COC(=O)c1cc(C)sc1N=C=S 2522234 MOIJNRCYLJNXBP-UHFFFAOYSA-N 213.283 2.577 50 50 BFGA in-vitro CC1=C(C#N)C(c2ccc(C)o2)C(C#N)=C(C)N1 25725988 USBIJCIDKMXUTJ-UHFFFAOYSA-N 239.278 2.870 50 50 BFGA O=C(Cl)c1cc(O)cc(Br)c1 238727217 WFKUCIJGQBJEHY-UHFFFAOYSA-N 235.464 2.534 50 50 BFGA O=C(CCl)Nc1ccc(Cl)cc1 165984 UDRCRMHFHHTVSN-UHFFFAOYSA-N 204.056 2.517 50 50 BFGA biogenic,in-vitro CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1 2522554 RJQXEHRFVKJLJO-UHFFFAOYSA-N 223.228 2.690 50 50 BFGA CC(C)(C)OC(=O)N(CCCl)CCCl 4204200 FQZLNQAUUMSUHT-UHFFFAOYSA-N 242.146 2.701 50 50 BFGA in-vitro BrCCc1ccc2c(c1)CCO2 12953895 JRKZQRRYNCMSCB-UHFFFAOYSA-N 227.101 2.559 50 50 BFGA in-vitro C=C(C)C(=O)OCCC[Si](C)(C)OCC 169747810 JSOZORWBKQSQCJ-UHFFFAOYSA-N 230.380 2.737 50 50 BFGA O=[N+]([O-])c1ccc(SCl)c([N+](=O)[O-])c1 100018427 GPXDNWQSQHFKRB-UHFFFAOYSA-N 234.620 2.749 50 50 BFGA Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CCl 1875377566 HGFXPYXSCNVDNJ-UHFFFAOYSA-N 249.701 2.562 50 50 BFGA CN(C)CCCOc1cccc(CCl)c1 12370625 NADOCADVNRVANZ-UHFFFAOYSA-N 227.735 2.756 50 50 BFGA O=C(CCl)O[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 104305671 PBPMGYJFCCORSG-LIJGXYGRSA-N 228.719 2.593 50 50 BFGA Cc1ccc2cc(C(=O)Cl)ccc2n1 115001846 LXJTZCKIJHRHJE-UHFFFAOYSA-N 205.644 2.922 50 50 BFGA CC1(C)C2=CCCC[C@H]2CC/C1=N\NC(N)=O 43761558 LFGNETNHBJWOFI-CQKLXZJXSA-N 235.331 2.557 50 50 BFGA CCCCCCCC[C@H]1CC(=O)OC1=O 100016368 OAJCSERLBQROJC-JTQLQIEISA-N 212.289 2.827 50 50 BFGA BrCCOCc1ccccc1 2004005 FWOHDAGPWDEWIB-UHFFFAOYSA-N 215.090 2.598 50 50 BFGA in-vitro CSc1ccccc1NC(=O)CCl 3245208 ARYOGFDHPAKXPE-UHFFFAOYSA-N 215.705 2.586 50 50 BFGA in-vitro C[C@H](Br)C(=O)Nc1ccc(F)cc1 9262848 ZYPHUTLRFAVKHO-LURJTMIESA-N 246.079 2.548 50 50 BFGA O=C=Nc1ccc(F)c(Br)c1 133643304 RBSVRWXFHVKAOX-UHFFFAOYSA-N 216.009 2.556 50 50 BFGA N#C/C(=C\c1ccc2ccccc2c1)C(=O)O 2549125 DGBCTRJIBBKQEU-MDWZMJQESA-N 223.231 2.831 50 50 BFGA COc1ccc(C(=O)[C@@H](C)Br)cc1 4776275 QNCDPGOJVGDTAN-SSDOTTSWSA-N 243.100 2.661 50 50 BFGA CCOc1ccc(NC(=O)[C@@H](C)Cl)cc1 9428874 BNFQDXYVKPGSKR-MRVPVSSYSA-N 227.691 2.651 50 50 BFGA in-vitro CC(=O)Nc1ccc(SC#N)cc1Cl 67630892 XSMXADOSTWDHEM-UHFFFAOYSA-N 226.688 2.872 50 50 BFGA O=C(N/N=C/c1ccco1)c1ccccc1Cl 62325 AMKDUKDXZJVUOL-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA C[C@H](Br)C(=O)c1cccs1 12336488 ISEXQXDJGISUKO-YFKPBYRVSA-N 219.103 2.714 50 50 BFGA CC(C)(C)[Si](C)(C)OC/C=C\CO 169836325 PTURWRRIBNABTN-SREVYHEPSA-N 202.370 2.557 50 50 BFGA O=C(Cl)c1cccc(OC(F)(F)F)c1 4290188 MGKIOAXLPYJSMU-UHFFFAOYSA-N 224.565 2.964 50 50 BFGA in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@@H](O)CCl)C2 218017123 JGHSWJDRRYSECE-ZPFDUUQYSA-N 246.778 2.818 50 50 BFGA CCOC(=O)c1ccccc1N=C=S 2168486 TYEPWLJHQLYWSR-UHFFFAOYSA-N 207.254 2.598 50 50 BFGA biogenic,in-vitro CC[C@@H](Br)C(=O)NC1CCCCC1 9304502 SYUMGAJCRZWJBT-SECBINFHSA-N 248.164 2.609 50 50 BFGA C[C@@H](Cl)C(=O)N(C)c1ccc2ncccc2c1 1875380341 MFIVYXJFGSUHOH-SECBINFHSA-N 248.713 2.825 50 50 BFGA COC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C 169834138 YMQKYTUCHSHLJI-SECBINFHSA-N 232.396 2.960 50 50 BFGA CCCC[C@@H](Br)C(=O)OCC 2042956 KOUAQOCYMAENKN-SSDOTTSWSA-N 223.110 2.503 50 50 BFGA biogenic,in-vitro N#CC(C#N)=Cc1ccc(Br)cc1 2821228 MYMFYWGVTXOLRG-UHFFFAOYSA-N 233.068 2.880 50 50 BFGA COc1c(F)cc(F)cc1CBr 12359246 XLYRQPGSEJMVIM-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA CC(=O)c1cccc(CBr)c1 34568124 TZVOWUZAOVUUBP-UHFFFAOYSA-N 213.074 2.784 50 50 BFGA in-vitro Cc1ccccc1C(=O)[C@@H](C)Br 139463404 DAHLZPWQZMVBHH-MRVPVSSYSA-N 227.101 2.961 50 50 BFGA Cc1cccc(C(=O)NNc2ccccc2F)c1 153297901 AWJWQCRRRBYNAB-UHFFFAOYSA-N 244.269 2.891 50 50 BFGA O=C(CBr)c1cccc(Cl)c1 165887 KJVRURZDIOVSSQ-UHFFFAOYSA-N 233.492 2.918 50 50 BFGA in-vitro Cc1ccc(C(=O)NNc2ccccc2)cc1 175266 GWTUCZAESJFIAZ-UHFFFAOYSA-N 226.279 2.752 50 50 BFGA COc1ccc2c([N+](=O)[O-])c(SC#N)[nH]c2c1 618049 NWBRIEDOLRHJTH-UHFFFAOYSA-N 249.251 2.658 50 50 BFGA [N-]=[N+]=NCCSSCCN=[N+]=[N-] 216188360 SYKSDZXTWAVSIP-UHFFFAOYSA-N 204.284 2.988 50 50 BFGA in-vitro COC(=O)c1ccc(N=C=S)c(C)c1 164772948 JGYOERHGONCFFH-UHFFFAOYSA-N 207.254 2.516 50 50 BFGA CC1=C(C#N)C2(CCCC2)C(C#N)=C(C)N1 25721998 GSAFBALLJRFYGR-UHFFFAOYSA-N 213.284 2.745 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@@]1(CC=O)CCOC1 616582095 BHGUYRWRYLHADF-LBPRGKRZSA-N 244.407 2.756 50 50 BFGA Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1CC(C)C 3277991 SWGSYVJVZSGZPQ-AWNIVKPZSA-N 246.310 2.753 50 50 BFGA Cc1cccc(C)c1NC(=O)CCCl 2162157 VOTVVKNPQNCBKS-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA CC(C)(C)[Si](C)(C)OC[C@H](O)CCl 197193443 YBYOMEPBOMOSIB-MRVPVSSYSA-N 224.804 2.608 50 50 BFGA CC1(C)C2=CCCC[C@@H]2CC/C1=N\NC(N)=O 43761557 LFGNETNHBJWOFI-DXXBARHASA-N 235.331 2.557 50 50 BFGA O=C(CCl)c1ccc(Br)cc1 1609916 HCQNNQFCUAGJBD-UHFFFAOYSA-N 233.492 2.871 50 50 BFGA in-vitro O=C(c1ccc(CCl)cc1)N1CCCC1 8983623 YXCGADPMMJPRTQ-UHFFFAOYSA-N 223.703 2.661 50 50 BFGA Fc1cc(F)c(CBr)c(F)c1 56960589 SPPLWANVCVTGEQ-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro ClCc1nc(-c2ccsc2)no1 4218360 PPWSNHXXZCODHE-UHFFFAOYSA-N 200.650 2.537 50 50 BFGA in-vitro CC(C)[C@H](CNC(=O)CCl)c1ccccc1 238850950 DLOSSWWCWDDILT-LBPRGKRZSA-N 239.746 2.781 50 50 BFGA Cc1cc(F)ccc1NNC(=O)/C=C/C1CC1 269580815 JOULKNNHYZTXHD-QPJJXVBHSA-N 234.274 2.543 50 50 BFGA O=C(CBr)c1sccc1Cl 153411 HGGWBQPMDLULMR-UHFFFAOYSA-N 239.521 2.979 50 50 BFGA Cc1nc2ccc(NC=C(C#N)C#N)cc2s1 395922 JLBMGKCILWCHKC-UHFFFAOYSA-N 240.291 2.948 50 50 BFGA O=C(CBr)Nc1ccc(Cl)cc1 1555552 YSTUPBOIUOUMHG-UHFFFAOYSA-N 248.507 2.673 50 50 BFGA CC[C@H](C)[C@H](N=C=S)C(=O)OC(C)(C)C 757188327 OGHZQIZTJRAVPS-IUCAKERBSA-N 229.345 2.846 50 50 BFGA N#C/C(=C\Nc1ccccn1)C(=O)c1ccccc1 100219384 IXLWVTYASHXPRT-ACCUITESSA-N 249.273 2.784 50 50 BFGA Cc1ccc2oc(=O)cc(CCl)c2c1 489377 SPXMXBBTSABPSK-UHFFFAOYSA-N 208.644 2.840 50 50 BFGA biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)CCl 1669855 WAGYENKYIROKOE-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro COc1ccc(Br)cc1C(=O)Cl 5917944 JBDMIOCVPSFJPW-UHFFFAOYSA-N 249.491 2.837 50 50 BFGA CC(C)(Br)CCBr 2169737 XMJFMQSXQQUJTQ-UHFFFAOYSA-N 229.943 2.945 50 50 BFGA CCc1ccc(NC(=O)C(Cl)Cl)cc1 2172831 LKHFITUYFODVHZ-UHFFFAOYSA-N 232.110 2.991 50 50 BFGA CC/C(=N\NC(=O)c1ccco1)c1ccccc1 4949505 PRFIXYJEYONVTB-NTCAYCPXSA-N 242.278 2.824 50 50 BFGA CC(=O)c1ccc(CBr)cc1 32169950 HARITLZHGNEHDS-UHFFFAOYSA-N 213.074 2.784 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OC(=O)CCl 170173971 RUQHLZVDTNJVOW-UHFFFAOYSA-N 208.761 2.774 50 50 BFGA CC(C)(C)c1csc(NC(=O)CCl)n1 13323388 FJSAYBPNTHTNBD-UHFFFAOYSA-N 232.736 2.618 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CCl)C2 106247184 JGHSWJDRRYSECE-WGBDABJCSA-N 246.778 2.818 50 50 BFGA C[C@H](NNC(=O)c1ccccc1)c1ccccc1 68 BEWNZPMDJIGBED-LBPRGKRZSA-N 240.306 2.682 50 50 BFGA in-man CC(C)(C)OC(=O)N/N=C/c1ccccc1 59658 LKKATZANDADGPR-UKTHLTGXSA-N 220.272 2.545 50 50 BFGA in-vitro C[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O 169830945 UJOBWNWTDACYCC-DCAQKATOSA-N 244.407 2.670 50 50 BFGA Cc1cccc(C)c1NC(=O)CBr 2558742 FMQPTEFSATTZFW-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA in-vitro N#C/C(=C\c1ccncc1)c1ccncc1 4773442 CUSOMNKCPGAKBP-UKTHLTGXSA-N 207.236 2.541 50 50 BFGA O=C(Cl)[C@H](Br)c1ccccc1 20286635 UDEJUBDPPQVWEX-SSDOTTSWSA-N 233.492 2.888 50 50 BFGA N#CSc1cccc(OC(F)(F)F)c1N 221289611 RIBXAKIGIHITMF-UHFFFAOYSA-N 234.202 2.741 50 50 BFGA N#CC(C#N)=C/C(=C/C(C#N)C#N)c1ccccc1 16662535 SZWKTIOTSBIDTJ-UUASQNMZSA-N 244.257 2.707 50 50 BFGA CC(C)[C@H]1COC(C(C)(C)CCl)=N1 71773478 KKZCAJJMWXCQPL-MRVPVSSYSA-N 203.713 2.705 50 50 BFGA FC(F)(F)C(F)(F)OCCBr 91251943 RSGRNSHFJJFAAK-UHFFFAOYSA-N 242.969 2.553 50 50 BFGA O=C(O)CCCC[C@@H]1CCSS1 1544807 AGBQKNBQESQNJD-SSDOTTSWSA-N 206.332 2.785 50 50 BFGA endogenous,world N#CC(C#N)=Cc1cc2c3c(c1)CCCN3CCC2 3872218 LROAUBRDKLVBCP-UHFFFAOYSA-N 249.317 2.816 50 50 BFGA in-vitro O=C/C=C/c1cccc(Br)c1 21298110 QICJGJJHIQBWJR-DUXPYHPUSA-N 211.058 2.661 50 50 BFGA BrC[C@@H]1OCCc2ccccc21 68591623 YPRJYWJXSMVWPD-JTQLQIEISA-N 227.101 2.695 50 50 BFGA in-vitro CCOP(=O)(OCC)C(=O)Cl 165308889 UVASJLPRXBXQMW-UHFFFAOYSA-N 200.558 2.611 50 50 BFGA COC(=O)c1cccc(SC#N)c1Cl 306940147 OWKHRTZLMJOMKO-UHFFFAOYSA-N 227.672 2.700 50 50 BFGA CC(C)(C)[Si](C)(C)OCCCC(=O)O 195767222 SSKZSPIXTLWDEZ-UHFFFAOYSA-N 218.369 2.873 50 50 BFGA in-vitro Cc1cc(C)c(/C=C(\C#N)C(N)=S)c(C)c1 12445015 FOFHDVCNGKWQHE-IZZDOVSWSA-N 230.336 2.805 50 50 BFGA ClCC1(CCl)CN(Cc2ccccc2)C1 97972940 GBAAMCASXJYQPO-UHFFFAOYSA-N 244.165 2.966 50 50 BFGA O=C(Cl)c1ccc(-c2csnn2)cc1 2582845 SZZWMNJQWMQKRY-UHFFFAOYSA-N 224.672 2.584 50 50 BFGA COC(=O)c1oc2ccccc2c1N=C=S 232313854 WPUZNZOJUJPFHF-UHFFFAOYSA-N 233.248 2.954 50 50 BFGA Cc1ccccc1C(=O)NN=C(C1CC1)C1CC1 293698 GQDXTNZLSRAFLQ-UHFFFAOYSA-N 242.322 2.901 50 50 BFGA CCc1cc(C(=O)OC)c(N=C=S)s1 2537447 SEZYICRKXZJPEI-UHFFFAOYSA-N 227.310 2.831 50 50 BFGA COC(=O)c1cc(CBr)ccc1F 95828736 GHEFZYZTGHKBBI-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA O=C=Nc1c(F)cccc1C(F)(F)F 2568129 BZWCKYVPHPOLDL-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA Cc1ccc(O[C@H](C)C(=O)Cl)cc1C 33433242 LUUGKJSEGMOEKP-SECBINFHSA-N 212.676 2.836 50 50 BFGA CC(=O)N1CCCc2cc(CCCl)ccc21 44127024 ZGBJIJQOOZLWES-UHFFFAOYSA-N 237.730 2.767 50 50 BFGA ClCc1ccn(Cc2ccccc2)n1 216081272 KRXRSWGHLHCORV-UHFFFAOYSA-N 206.676 2.670 50 50 BFGA Cc1cccc(NC(=O)CBr)c1C 5815579 ZQINBDNYXTWMSV-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA Cc1c(C(=O)Cl)cnn1-c1ccc(F)cc1 2509357 INIAJXQDJISNJB-UHFFFAOYSA-N 238.649 2.699 50 50 BFGA O=C(NN=C1CCCCC1)[C@@H]1CC12CCC2 4950152 CYCBZDFMHSXTGY-NSHDSACASA-N 220.316 2.613 50 50 BFGA ClCc1cn2cc(Br)ccc2n1 19413968 YEXHHHNCGSIJLI-UHFFFAOYSA-N 245.507 2.836 50 50 BFGA in-vitro O=C/C=C/c1ccccc1Br 21304309 NIDKLBQFMCVZKV-HWKANZROSA-N 211.058 2.661 50 50 BFGA IC1Cc2ccccc2C1 85428732 YNZOPWLGUDGAGY-UHFFFAOYSA-N 244.075 2.589 50 50 BFGA COC(=O)[C@@H](Br)C1CCCCC1 2159846 FVRCRECNPNQSKL-QMMMGPOBSA-N 235.121 2.503 50 50 BFGA Cc1cccc(C(=O)[C@H](C)Br)c1 85210251 QGGNDYQVUDZPJB-QMMMGPOBSA-N 227.101 2.961 50 50 BFGA in-vitro CCOC1=C(C#N)C(=O)C[C@H](c2ccc(C)o2)C1 95117758 LKIBQIDGNZJFGO-JTQLQIEISA-N 245.278 2.849 50 50 BFGA N#CC(NC(=O)C1CCCCC1)=C(Cl)Cl 1775975013 BCCZNKGLNKNZQT-UHFFFAOYSA-N 247.125 2.853 50 50 BFGA Cc1cccc(/C=N/NC(=O)c2cccs2)c1 232515 OSQPBNAZFBYKKR-NTEUORMPSA-N 244.319 2.820 50 50 BFGA N#C/C(=C/c1ccc[nH]1)c1cccc(C#N)c1 4811119 VDSMINNKGNGVGT-JYRVWZFOSA-N 219.247 2.951 50 50 BFGA C[C@H](I)CC(F)(F)F 63148370 SYXQWKHNRKDCIF-VKHMYHEASA-N 237.990 2.762 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OC1(C=O)CC1 196315308 USEPQADZZXOVBD-UHFFFAOYSA-N 200.354 2.740 50 50 BFGA Cc1ccccc1/C=N/NC(=O)c1ccccc1 12403638 SIZWZRMNHJYUGP-LFIBNONCSA-N 238.290 2.759 50 50 BFGA COC(=O)c1cccc([C@H](C)Br)c1 96024894 BCYFMMWUMUICEQ-ZETCQYMHSA-N 243.100 2.929 50 50 BFGA Cc1noc(-c2ccccc2)c1N=C=O 158940 ZSAPULDWGBONCI-UHFFFAOYSA-N 200.197 2.617 50 50 BFGA in-vitro CC[C@H](Oc1ccccc1C)C(=O)Cl 40451362 OVNWMXIRUZIBQQ-VIFPVBQESA-N 212.676 2.918 50 50 BFGA Cc1ccc(C(=O)CBr)cc1 159088 KRVGXFREOJHJAX-UHFFFAOYSA-N 213.074 2.573 50 50 BFGA in-vitro Cc1ccc(NC(=O)CCCl)cc1F 13322879 ZULMRTGDQRGKGL-UHFFFAOYSA-N 215.655 2.702 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H]1C(N)=O 601013408 UQTIJMIOAZIGNU-ZJUUUORDSA-N 243.423 2.520 50 50 BFGA CC(C)OC(=O)/C(C#N)=C/c1ccc(F)cc1 121519 VEVFYBLIRPUWTP-YRNVUSSQSA-N 233.242 2.684 50 50 BFGA CCCCOC(=O)c1ccccc1N=C=O 2384710 QNWQMUCMHVKVGU-UHFFFAOYSA-N 219.240 2.611 50 50 BFGA Cc1cccc(Cc2noc(CCl)n2)c1 43560897 ZZSRTQYVRJIEOR-UHFFFAOYSA-N 222.675 2.708 50 50 BFGA Cc1ccc(C(=O)CBr)cc1C 3164298 LTCYMNSEASALNB-UHFFFAOYSA-N 227.101 2.881 50 50 BFGA in-vitro O=c1cc(CCl)[nH]c2ccc(Cl)cc12 8732761 SDQWGYBBKOOUMC-UHFFFAOYSA-N 228.078 2.920 50 50 BFGA in-vitro O=C(Cl)/C=C/c1ccc(F)cc1F 38312918 YNLKPSKPONQGFY-DUXPYHPUSA-N 202.587 2.743 50 50 BFGA Cc1cc(Cl)cc(NC(=O)CCl)c1 74941656 ISCQVPGXEIJXON-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA Fc1cc(CCl)c(C(F)(F)F)cn1 238588304 BFCXJPYVSHCWQI-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA CCc1c(C)sc(NC(=O)CCl)c1C#N 369540 YWIRSEAMVGSMOJ-UHFFFAOYSA-N 242.731 2.668 50 50 BFGA CC(C)=C1[C@H]2CCC[C@H]1/C(=N/NC(N)=O)CC2 102318438 JGBMGFOVJWYPHF-SVGSPTBMSA-N 235.331 2.557 50 50 BFGA CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 1557052 QADVJDGFQGNSIF-UHFFFAOYSA-N 223.228 2.546 50 50 BFGA BrCCCCO[C@H]1CCCCO1 4071693 DFXFQWZHKKEJDM-VIFPVBQESA-N 237.137 2.705 50 50 BFGA in-vitro COc1cc(F)cc(CBr)c1 14989235 DDLZKVGBEBRKFC-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro CCOc1ccc([N+](=O)[O-])cc1CCl 20469243 QDXZMQKBSROXKE-UHFFFAOYSA-N 215.636 2.732 50 50 BFGA CC1=C(C)C[C@]23CCCC[C@]2(C1)C(=O)OC3=O 101045899 GVMGZPGGDWIMGH-KBPBESRZSA-N 234.295 2.747 50 50 BFGA N#CC(C#N)=C1CCCc2ccccc2N1 287082 MOYJXVBNCGHPFA-UHFFFAOYSA-N 209.252 2.736 50 50 BFGA Cc1ccc(C(=O)N/N=C/c2ccccc2)s1 371457 IOSSLCQHSBFDCS-NTEUORMPSA-N 244.319 2.820 50 50 BFGA CCOc1ccc(NC(=O)CCCl)cc1 2166765 YPPVRXZDDYKNEF-UHFFFAOYSA-N 227.691 2.653 50 50 BFGA in-vitro C=CCNC(=O)[C@H](Cl)c1ccccc1Cl 71774055 WFYPBKHAJNZOJW-SNVBAGLBSA-N 244.121 2.922 50 50 BFGA COC(=O)c1cccc(F)c1CBr 89157248 JZULUDYJULULLS-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA in-vitro Cc1cc(CBr)ccc1[N+](=O)[O-] 2526528 WOUWGCLQOJPWHS-UHFFFAOYSA-N 230.061 2.798 50 50 BFGA IC1CCCCC1 1693260 FUCOMWZKWIEKRK-UHFFFAOYSA-N 210.058 2.754 50 50 BFGA N#CC(=Cc1ccco1)C(=O)Nc1ccccc1 1857524641 ZUSSPVVDJJZZMR-UHFFFAOYSA-N 238.246 2.825 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(C)[C@H](Br)C2=O 1857796602 VXQNRSUZDLRDBG-IONOHQLYSA-N 231.133 2.775 50 50 BFGA O=C(CCl)Nc1cccc(Br)c1 2167845 IVMANMCCQZCARP-UHFFFAOYSA-N 248.507 2.626 50 50 BFGA CC(C)(Oc1ccc(F)cc1)C(=O)Cl 33433404 BAZSCNDLRZMBRM-UHFFFAOYSA-N 216.639 2.749 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O)C1 169806687 ILGIKHCMCDNBSK-KYZUINATSA-N 202.370 2.532 50 50 BFGA O=C(CBr)c1ccc(Cl)s1 2570425 YIKFQMAUWNYCHK-UHFFFAOYSA-N 239.521 2.979 50 50 BFGA in-vitro Cc1ccc(NC(=O)[C@@H](C)Cl)cc1C 19479891 JOVJLKOOPAPWOK-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro CCCCCCCCCCCC(=O)NN 1587878 YTQHSQQSLTYMSL-UHFFFAOYSA-N 214.353 2.897 50 50 BFGA in-vitro N#Cc1cc(CBr)ccc1F 2243243 GUUKPGIJZYZERR-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro O=C(Cl)c1cc(F)cc(Br)c1 14989302 RGMMCYNLNAUIJX-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro O=C(N/N=C/c1ccccc1)C1CCCCC1 510963 ARBMXJDIOWWUGN-RVDMUPIBSA-N 230.311 2.717 50 50 BFGA O=C(CCl)N1CCc2oc3ccccc3c2C1 1875374804 FQZGPVFWWZJVIS-UHFFFAOYSA-N 249.697 2.556 50 50 BFGA CC(=O)Oc1cccc(CBr)c1 16124994 ZWUDYGSKBLLKBW-UHFFFAOYSA-N 229.073 2.507 50 50 BFGA in-vitro CC1=C(C#N)[C@H](C)C2=C(CC(C)(C)CC2=O)N1 85397600 RDMDDPNHSPUVQK-QMMMGPOBSA-N 230.311 2.666 50 50 BFGA CN(C)/C=C(/C=C(C#N)C#N)c1ccccc1 16133976 DQIAPPLLXFJIHN-KAMYIIQDSA-N 223.279 2.563 50 50 BFGA O=C(COc1ccccc1)NN=C1CCCCC1 231858 JYMNNMGDBDWUAS-UHFFFAOYSA-N 246.310 2.502 50 50 BFGA C[C@H](Cl)C(=O)N1c2ccccc2C[C@H]1C 3316825 SJHLFEZNQZDFMP-BDAKNGLRSA-N 223.703 2.592 50 50 BFGA in-vitro O=C(CCl)N1[C@H]2CC[C@H]1c1ccccc12 704046253 ISFHEQGPFRSPSB-QWRGUYRKSA-N 221.687 2.644 50 50 BFGA O=C(Cl)c1coc(-c2ccccc2)n1 3844460 YQNBLEXRJFCKSW-UHFFFAOYSA-N 207.616 2.721 50 50 BFGA biogenic,in-vitro O=C(Cl)CCCCCCC(=O)Cl 86022428 PUIBKAHUQOOLSW-UHFFFAOYSA-N 211.088 2.858 50 50 BFGA in-vitro O=C(CCl)O[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 257357618 PBPMGYJFCCORSG-OFKSJOQMSA-N 228.719 2.593 50 50 BFGA CC(C)(C)[Si](C)(C)OC1(C=O)CSC1 1857781407 PFVDOLGUXLSZNO-UHFFFAOYSA-N 232.421 2.693 50 50 BFGA O=C(Cl)C1(c2ccccc2)CCOCC1 11833324 MNCVQLSKZIVCDW-UHFFFAOYSA-N 224.687 2.500 50 50 BFGA in-vitro CCOC(=O)c1cc(N=C=S)ccc1F 31829479 SXGDSVLEAUARBP-UHFFFAOYSA-N 225.244 2.737 50 50 BFGA ClCCNC[C@@H](Cl)c1ccccc1 97973052 ISILJBOJKJIDSJ-SNVBAGLBSA-N 218.127 2.795 50 50 BFGA O=C(N/N=C/c1ccccc1F)c1ccccc1 242681 BXIIVGFLDBHJKU-MHWRWJLKSA-N 242.253 2.590 50 50 BFGA Cc1cc(C)cc(O[C@@H](C)C(=O)Cl)c1 33433235 WWZGLCRQEQDIOF-VIFPVBQESA-N 212.676 2.836 50 50 BFGA CCCCCC[C@@H](Br)C(=O)O 4521286 GTGTXZRPJHDASG-SSDOTTSWSA-N 223.110 2.805 50 50 BFGA in-vitro Clc1ccc(CBr)cn1 33947575 YJOULMMJZAADRY-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA CC1=CC[C@]23CCCCC[C@@]2(C1)C(=O)OC3=O 101002637 QIMJAOMIQCZOKP-UONOGXRCSA-N 234.295 2.747 50 50 BFGA CC(C)c1ccccc1NC(=O)CCl 4201332 MHTCIMHUMDBERX-UHFFFAOYSA-N 211.692 2.987 50 50 BFGA in-vitro C[C@H](Cl)C(=O)Nc1cnc2ccccc2c1 37391481 AOZIQRTWMQQNOF-QMMMGPOBSA-N 234.686 2.801 50 50 BFGA CCOC(=O)C/C(=C\C#N)c1ccccc1 200051871 MRRKESFPHDLRCB-XYOKQWHBSA-N 215.252 2.547 50 50 BFGA CCCC/C(C)=N\NC(=O)c1ccc(O)cc1 4964044 XQXWAUYDLIKCTJ-UVTDQMKNSA-N 234.299 2.688 50 50 BFGA CCOc1ccc2[nH]cc(C(=O)CCl)c2c1 34925361 GYINGPYHYOAAMY-UHFFFAOYSA-N 237.686 2.988 50 50 BFGA O=C(Cl)c1ccc(C(=O)Cl)s1 100293465 UCRQTPGCFCBLOX-UHFFFAOYSA-N 209.053 2.506 50 50 BFGA in-vitro Cc1ccc(NC(=O)[C@H](C)Br)cc1 3165549 TZDLHQHUDYMDAF-QMMMGPOBSA-N 242.116 2.717 50 50 BFGA CC(C)(C)C1=C(C(C)(C)C)[C@H]2C(=O)OC(=O)[C@H]12 101050349 YQZDJAJGRHHPBE-YUMQZZPRSA-N 236.311 2.705 50 50 BFGA CCCCCC[C@@H](O)CBr 140047703 UOOOQHMFMRVNJN-MRVPVSSYSA-N 209.127 2.713 50 50 BFGA C[C@H](Br)[C@@H](C)Br 88240986 BXXWFOGWXLJPPA-ZXZARUISSA-N 215.916 2.553 50 50 BFGA CCCCCCOC(=O)C(Cl)Cl 101368568 WZSTYEOGVNOGKU-UHFFFAOYSA-N 213.104 2.914 50 50 BFGA COC(=O)CCCCCCBr 2578900 BXRLUWIDTDLHQE-UHFFFAOYSA-N 223.110 2.505 50 50 BFGA in-vitro O=C(Cc1ccccc1)N/N=C/[C@H]1CC=CCC1 4550343 JYCYQIDKLHLFHX-AOHITCTBSA-N 242.322 2.687 50 50 BFGA C=C(C#N)C(=O)O[C@@H](C)CCCCCC 112965542 CQVWXNBVRLKXPE-NSHDSACASA-N 209.289 2.968 50 50 BFGA investigational O=C1C[C@@H](Br)c2ccccc21 15021457 BSAIUCUXHVGXNK-MRVPVSSYSA-N 211.058 2.709 50 50 BFGA in-vitro Oc1ncc(C(F)(F)F)cc1CCl 238702368 BEXOQGUAPGPNML-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA S=C=Nc1ccc2oc(C3=NCCN3)cc2c1 25670 RUDBUHTXVGVWTA-UHFFFAOYSA-N 243.291 2.517 50 50 BFGA in-vitro CCCCCC/C=C/C[C@@H]1CC(=O)OC1=O 100126608 CIMXGTDNUHWJCZ-WSKFYRRCSA-N 224.300 2.993 50 50 BFGA O=C(Cl)COc1ccccc1Br 26470341 PONCSXBMRXZDAF-UHFFFAOYSA-N 249.491 2.593 50 50 BFGA ClCCOc1ccccc1OCCCl 2026699 KYXVBVSREIBNDA-UHFFFAOYSA-N 235.110 2.922 50 50 BFGA Cc1cccc(NC(=O)CCCCl)c1 2166695 GBYXVHYDSWAERN-UHFFFAOYSA-N 211.692 2.953 50 50 BFGA in-vitro CCOc1ccccc1NC(=O)CCCl 4866845 ZWCVRZVPCQCKJD-UHFFFAOYSA-N 227.691 2.653 50 50 BFGA in-vitro COc1cc(NC(=O)CCl)ccc1Cl 9038940 IBCZFKUUKFFSAW-UHFFFAOYSA-N 234.082 2.526 50 50 BFGA CC(C)O[Si](C)(CCl)OC(C)C 169747586 MBMGVWYVXMKKHZ-UHFFFAOYSA-N 210.777 2.686 50 50 BFGA O=C(CCl)c1ccc2c(c1)CCCC2 4204466 YPJVCMUNCFFQKH-UHFFFAOYSA-N 208.688 2.987 50 50 BFGA in-vitro CN(Cc1ccccc1)NC(=O)OC(C)(C)C 143331056 XPMFJEDGWNFPKP-UHFFFAOYSA-N 236.315 2.558 50 50 BFGA CCCNC(=O)c1ccc(CCl)cc1 36929905 SUZNLYSSYNJTGD-UHFFFAOYSA-N 211.692 2.565 50 50 BFGA O=C(CCl)Nc1cccc(Cl)c1 1586624 KNVBYGNINQITJC-UHFFFAOYSA-N 204.056 2.517 50 50 BFGA in-vitro CC1=C(c2ccco2)CN(C(=O)CCl)CC1 1875375242 WDNMZTVWIWDNSK-UHFFFAOYSA-N 239.702 2.524 50 50 BFGA C[C@@H](Br)C(=O)c1ccc(F)cc1 19843049 QKHHCXOSPQAQQI-ZCFIWIBFSA-N 231.064 2.792 50 50 BFGA in-vitro COC(=O)/C(=C/c1ccc(F)cc1)CCl 141156086 HLDYPEYBJDRQPE-RMKNXTFCSA-N 228.650 2.621 50 50 BFGA C[C@@H]1CC(=O)Nc2ccc(CCCl)cc21 147348879 UOYNXQYJKMLTGN-MRVPVSSYSA-N 223.703 2.914 50 50 BFGA N#C/C(=C/c1ccc[nH]1)c1ccc2c(c1)OCO2 5064954 MYKQLQRLHXBZLM-WDZFZDKYSA-N 238.246 2.808 50 50 BFGA CC(C)(C)C1=C(C(C)(C)C)[C@@H]2C(=O)OC(=O)[C@H]12 101050351 YQZDJAJGRHHPBE-OCAPTIKFSA-N 236.311 2.705 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2cc(C)oc2C)o1 28537 ZEQDTJWUXOBMLH-VGOFMYFVSA-N 246.266 2.562 50 50 BFGA O=C(Cl)c1ccc(Cl)nc1Cl 39193538 JHMHYTKDALCQSZ-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA in-vitro C[C@@H](Br)C(=O)Nc1cccc(F)c1 41693104 ISSRLGWQOCKVPM-ZCFIWIBFSA-N 246.079 2.548 50 50 BFGA FC(F)(F)c1cnccc1CBr 238579424 KRKNEDBXRIWMOF-UHFFFAOYSA-N 240.022 2.995 50 50 BFGA O=C(CBr)c1ccc(F)cc1F 2512329 CSGDTHXBRAAOHV-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA in-vitro COC(=O)c1cc(F)ccc1CBr 2599129 MWSNENBHAODEGV-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA CC1=C(C#N)C(c2ccccc2)C(C#N)=C(C)N1 19419648 BXCNFVJAURPCSP-UHFFFAOYSA-N 235.290 2.969 50 50 BFGA Cc1c(N=C=O)c(C)c(N=C=O)c(C)c1N=C=O 60132649 XGACNCCYEHRDJM-UHFFFAOYSA-N 243.222 2.514 50 50 BFGA Cc1ccc2c(c1)OC[C@@H](CBr)O2 45328885 LVRCXDPCFJJIHK-MRVPVSSYSA-N 243.100 2.530 50 50 BFGA CCCC[C@H](Br)C(=O)OCC 1648301 KOUAQOCYMAENKN-ZETCQYMHSA-N 223.110 2.503 50 50 BFGA biogenic,in-vitro COc1ccc(NC(=O)[C@@H](C)Cl)cc1Cl 8324074 DXJCKGBDVUTQAN-ZCFIWIBFSA-N 248.109 2.914 50 50 BFGA CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CCl 19094144 IWYOLTOAYPMSIZ-NXEZZACHSA-N 231.767 2.946 50 50 BFGA in-vitro CC(C)(C)CC(=O)OC(=O)CC(C)(C)C 100541867 LSHYNAUVTXYALE-UHFFFAOYSA-N 214.305 2.929 50 50 BFGA C[Si](C)(CCl)O[Si](C)(C)CCl 169746891 NBGGEWGFZUDQKZ-UHFFFAOYSA-N 231.271 2.969 50 50 BFGA O=C(N/N=C/[C@H]1CC=CCC1)c1ccccc1 4989617 UNBGRLCIZNRBME-YGRGUWMTSA-N 228.295 2.759 50 50 BFGA O=C(N/N=C/c1ccoc1)c1ccc(Cl)cc1 4879512 OTKGNMGTOAEHKH-VGOFMYFVSA-N 248.669 2.697 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(CBr)C(=O)C2 100191155 NWKJJEBSNWZSOD-OIBJUYFYSA-N 231.133 2.777 50 50 BFGA N#C/C(=C/c1c(F)cccc1Cl)C(N)=S 614397 RNQIHBADZDZGPN-XQRVVYSFSA-N 240.690 2.672 50 50 BFGA Cc1ccc(NC(=O)CBr)cc1C 5814901 IIKSINTWPCYINB-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA C[C@H](Br)CCBr 2041099 XZNGUVQDFJHPLU-BYPYZUCNSA-N 215.916 2.555 50 50 BFGA in-vitro CC(C)C[C@H](C)I 114051273 HUVYLVIBZCVAKG-LURJTMIESA-N 212.074 2.856 50 50 BFGA O=C(N/N=C/c1ccccc1Cl)c1ccco1 12341325 VMXNPJWOQGVIJM-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA COC(=O)c1scc(C)c1N=C=S 159986 KPNVCXWHPJMBJP-UHFFFAOYSA-N 213.283 2.577 50 50 BFGA in-vitro Cc1cc(C)c(OC[C@H](O)CCl)c(C)c1 2159842 LGSCYMXXUTYLEU-LLVKDONJSA-N 228.719 2.590 50 50 BFGA CC[C@@H](Oc1ccc(F)cc1)C(=O)Cl 40451390 PXRRFMWVJKCPQJ-SECBINFHSA-N 216.639 2.749 50 50 BFGA CCOC(=O)[C@@H](Br)C1CCCC1 526056094 STUDWPIFXGYVRW-QMMMGPOBSA-N 235.121 2.503 50 50 BFGA CSC(=O)N[C@H]1CCCC[C@H]1Cl 5676556 RVLOZZJUARUJMI-RQJHMYQMSA-N 207.726 2.609 50 50 BFGA CCc1ccc(O[C@H](C)C(=O)Cl)cc1 33433233 JMYBRJRYSVMXNT-MRVPVSSYSA-N 212.676 2.782 50 50 BFGA Nc1cc2oc(CCl)nc2cc1Cl 307344179 YPJOWJWSDPPNJT-UHFFFAOYSA-N 217.055 2.802 50 50 BFGA CCOc1ccc(NC(=O)[C@H](C)Cl)cc1 9428876 BNFQDXYVKPGSKR-QMMMGPOBSA-N 227.691 2.651 50 50 BFGA in-vitro N#CS[C@@H](C#N)Cc1ccccc1Cl 97520 UFHITGKYJALCRC-SECBINFHSA-N 222.700 2.989 50 50 BFGA O=C(Cl)c1cnc(Cl)nc1C(F)(F)F 2555779 BTRSILVUNQWNDR-UHFFFAOYSA-N 244.987 2.528 50 50 BFGA N#C[C@@H](Br)Cc1ccccc1 4206424 ZCCNNBFUMWEZGE-VIFPVBQESA-N 210.074 2.516 50 50 BFGA in-vitro CP(c1ccccc1)c1ccccc1 1606011 UJNZOIKQAUQOCN-UHFFFAOYSA-N 200.221 2.749 50 50 BFGA in-vitro CCSC(=O)N[C@@H]1CCCC[C@H]1Cl 5673870 SCRPTDDKWJMCPI-HTQZYQBOSA-N 221.753 2.999 50 50 BFGA ICCc1ccccc1 2018029 KVTHPKXDLVYNCH-UHFFFAOYSA-N 232.064 2.664 50 50 BFGA CN(C)NC(=O)Nc1cc(Cl)ccc1Cl 2170980 YFOISRONBHPDIR-UHFFFAOYSA-N 248.113 2.592 50 50 BFGA O=C1c2ccsc2CC[C@@H]1Br 39294012 KBLQDFSWVMPYEM-LURJTMIESA-N 231.114 2.641 50 50 BFGA in-vitro CC[C@H](Oc1ccc(OC)cc1)C(=O)Cl 36720654 YMUSJESQIJZTQC-JTQLQIEISA-N 228.675 2.618 50 50 BFGA CC[C@H](Oc1ccc(F)cc1)C(=O)Cl 40451389 PXRRFMWVJKCPQJ-VIFPVBQESA-N 216.639 2.749 50 50 BFGA O=C(CBr)c1ccccc1Cl 166628 WZWWEVCLPKAQTA-UHFFFAOYSA-N 233.492 2.918 50 50 BFGA in-vitro CNC(=O)Oc1cc(C)c(SC#N)c(C)c1 71774131 GJYXAPXEXJJKSR-UHFFFAOYSA-N 236.296 2.595 50 50 BFGA O=C(Nc1ccccc1F)OCCCl 1590374 ZNPYLNZVWNHGNE-UHFFFAOYSA-N 217.627 2.613 50 50 BFGA O=C(NN=C1CCCC1)c1cccc(Cl)c1 274421 OYQPAWDBISKOIV-UHFFFAOYSA-N 236.702 3.000 50 50 BFGA N#CC(C#N)=Cc1ccc(N2CCCC2)cc1 573881 NFYMRPGLBPFTAL-UHFFFAOYSA-N 223.279 2.717 50 50 BFGA ClC[C@H]1CCN(Cc2ccccc2)C1 39214375 QWGYCLIMHHUXSL-GFCCVEGCSA-N 209.720 2.747 50 50 BFGA CC(C)(C)OC(=O)NCCCCCN=C=S 2386887 SRTMCAQUUMOZJY-UHFFFAOYSA-N 244.360 2.784 50 50 BFGA O=C=Nc1ccc(F)cc1C(F)(F)F 2568130 MNANIHSTOUUFNY-UHFFFAOYSA-N 205.110 2.812 50 50 BFGA Cc1ccc2c(c1)CCCN2C(=O)CCl 19094167 YEQHPVJKRJVMAC-UHFFFAOYSA-N 223.703 2.513 50 50 BFGA in-vitro Cc1ccc(-c2nnc(CCl)o2)cc1 163118 JDAULQMOFMANSL-UHFFFAOYSA-N 208.648 2.784 50 50 BFGA in-vitro O=C(Cl)Cc1cccc(Br)c1 34069262 DFKQZCVLSJIRES-UHFFFAOYSA-N 233.492 2.757 50 50 BFGA O=C(N/N=C/c1ccccc1)Nc1ccccc1 347076 SXCIVFODNMDTER-RVDMUPIBSA-N 239.278 2.842 50 50 BFGA Br[C@@H]1CCCC[C@@H]1[n+]1ccccc1 155453 NMUIXRWQDLORQL-MNOVXSKESA-N 241.152 2.853 50 50 BFGA COc1cc(CBr)ccc1F 2540326 XRLJROQMXLOJFO-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro O=C1c2ccccc2[C@]2(OO)[C@H]3C=C[C@@H](CC3)[C@@H]12 104295812 QLYUKMAHQNAWQL-WIHQQPEOSA-N 242.274 2.780 50 50 BFGA C[C@H](Br)CCCBr 2042963 CNBFRBXEGGRSPL-YFKPBYRVSA-N 229.943 2.945 50 50 BFGA Fc1ccccc1CCBr 2529023 FQGDFWIQBCQXPS-UHFFFAOYSA-N 203.054 2.763 50 50 BFGA in-vitro C[C@H](Cl)C(=O)Nc1cccc(Cl)c1 3289263 RMICMLBMAQRUJI-LURJTMIESA-N 218.083 2.906 50 50 BFGA in-vitro N#CSc1cccc(Br)c1N 307532331 YEDPXDUGKNQOKI-UHFFFAOYSA-N 229.102 2.604 50 50 BFGA F[C@H](Cl)[C@@](F)(Cl)C(F)(F)F 63148524 YGFIGGVCQHKDOL-LWMBPPNESA-N 202.937 2.988 50 50 BFGA FC(F)(F)C(F)(F)CBr 1847436 HKAWJXVJGNTQMW-UHFFFAOYSA-N 212.943 2.579 50 50 BFGA in-vitro O=c1c2ccccc2nc2n1CCCC[C@H]2Cl 2172318 NYQPDIJJSBLPPT-SNVBAGLBSA-N 248.713 2.860 50 50 BFGA CC(C)(C)[Si](C)(C)OC1CC(=O)C1 169806683 WMGWIMAOHZAWOT-UHFFFAOYSA-N 200.354 2.740 50 50 BFGA in-vitro C[C@@H](CO)CO[Si](C)(C)C(C)(C)C 169831279 OAWLYVJZJYEJSM-VIFPVBQESA-N 204.386 2.637 50 50 BFGA in-vitro Cc1nn2c(Cl)cc(CCl)nc2c1C 1772716503 YHDAFHNWTMEFKU-UHFFFAOYSA-N 230.098 2.738 50 50 BFGA O=C(Cl)OCCOCc1ccccc1 2389338 QXVIJZMVCKUMER-UHFFFAOYSA-N 214.648 2.579 50 50 BFGA CC(C)(C)[Si](C)(C)OC1CC(O)C1 169806681 ILGIKHCMCDNBSK-UHFFFAOYSA-N 202.370 2.532 50 50 BFGA O=C1Nc2cc(Cl)ccc2O[C@@H]1CCCl 8782182 SHRBFRKMIRXEQN-SECBINFHSA-N 246.093 2.668 50 50 BFGA O=C(O)c1cc(CCl)c(CCl)s1 107523652 QIRHWXQAUDKNDV-UHFFFAOYSA-N 225.096 2.924 50 50 BFGA C[C@@H](c1ccccc1)N1C[C@H](CCl)OC1=O 6794793 NSKIHXKKBCDECQ-ONGXEEELSA-N 239.702 2.807 50 50 BFGA CC(C)(C)OC(=O)NNc1ncccc1Cl 217048392 RRXISBCNBWVFGG-UHFFFAOYSA-N 243.694 2.587 50 50 BFGA Cc1nc(C(F)(F)F)c(C(=O)Cl)s1 34328620 WNJINNZMSVNKJD-UHFFFAOYSA-N 229.610 2.849 50 50 BFGA in-vitro O=C1c2ccccc2[C@]2(OO)[C@@H]1[C@H]1C=C[C@H]2CC1 101051317 QLYUKMAHQNAWQL-ACGQPVHCSA-N 242.274 2.780 50 50 BFGA OCCCCCCCCBr 2166993 GMXIEASXPUEOTG-UHFFFAOYSA-N 209.127 2.714 50 50 BFGA in-vitro CC(C)=CCC[C@H](C)OC(=O)CCl 6763340 HXZISMGIJLLTOU-VIFPVBQESA-N 204.697 2.903 50 50 BFGA C[C@](Cl)(CCl)C(=O)NC1CCCCC1 71774041 DMKUTDWLLHQBGH-JTQLQIEISA-N 238.158 2.672 50 50 BFGA ClC(Cl)c1cn2ccccc2n1 100089034 PBXJBZGZZNDUJY-UHFFFAOYSA-N 201.056 2.811 50 50 BFGA in-vitro CC[C@H](Br)C(=O)N1CCCC[C@H]1C 14807089 MDQDUJLBYGNQJO-BDAKNGLRSA-N 248.164 2.561 50 50 BFGA N#CSc1cccc(C(F)(F)F)c1N 221289523 OBKYVNMQPQBRSE-UHFFFAOYSA-N 218.203 2.861 50 50 BFGA O=C(N/N=C/[C@@H]1CC=CCC1)c1ccccc1F 370643 YDUUWWUVHSZVIL-HPUUJOOBSA-N 246.285 2.898 50 50 BFGA CCCCCCCCNC(=O)CCl 1586547 RJTYTPKXNAFDHK-UHFFFAOYSA-N 205.729 2.702 50 50 BFGA C[C@H](Cl)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 238860551 ZWRHZCDJUHUGET-AJBSGBCOSA-N 229.751 2.555 50 50 BFGA in-vitro O=S(=O)(CCCCCl)Cc1ccccc1 1725566 XJMWVIJWGYVKHR-UHFFFAOYSA-N 246.759 2.620 50 50 BFGA CC1(C)C2=CCCC[C@]2(C)CC/C1=N\NC(N)=O 43761555 CWTDMDOUAICQBL-DSQDWWTGSA-N 249.358 2.947 50 50 BFGA FC(F)(F)CC(F)(F)CBr 63148531 SEXSQRQVHMOLSW-UHFFFAOYSA-N 226.970 2.969 50 50 BFGA in-vitro CCOP(=O)(CCBr)OCC 1641073 PINITSMLVXAASM-UHFFFAOYSA-N 245.053 2.647 50 50 BFGA in-vitro C/C(=N\NC(=O)c1cccc(Cl)c1)C1CC1 4957051 HARDVSNLPBXVQT-RIYZIHGNSA-N 236.702 2.856 50 50 BFGA Cc1ccccc1NC(=O)[C@@H](C)Br 5782920 GUIZTZZUXVCLHZ-MRVPVSSYSA-N 242.116 2.717 50 50 BFGA C=CC[C@@H](COC(=O)CCl)C(C)C 43198914 XZXJJSIAUCARJX-VIFPVBQESA-N 204.697 2.617 50 50 BFGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 238854291 NIRDDXXHNBLIBQ-QCLAVDOMSA-N 217.740 2.555 50 50 BFGA in-vitro Fc1cccc(CBr)c1F 2584337 FTBSGSZZESQDBM-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA in-vitro Fc1ccccc1Cn1ccc(N=C=S)n1 2536523 KBZBCIZZMYVSBQ-UHFFFAOYSA-N 233.271 2.805 50 50 BFGA O=C(Nc1ccc(F)cc1)OCCCl 4794840 FUZYRDRQAWTOEK-UHFFFAOYSA-N 217.627 2.613 50 50 BFGA CC[C@H](Br)C(=O)OC(C)(C)C 5227879 RIUJWUWLGXBICR-LURJTMIESA-N 223.110 2.502 50 50 BFGA in-vitro C/C=C1\C[C@](C)(CC)C(C#N)(C#N)C(N)=C1C#N 19300135 RNEIFOKJVYECPL-CFDVYZKQSA-N 240.310 2.523 50 50 BFGA F[C@@H](Cl)[C@@](F)(Cl)C(F)(F)F 63148523 YGFIGGVCQHKDOL-NCGGTJAESA-N 202.937 2.988 50 50 BFGA CC(C)(C)OC(=O)N1CCC(/C=C/C#N)CC1 116357965 YARNBIJVAPOSJJ-SNAWJCMRSA-N 236.315 2.713 50 50 BFGA Fc1ccc(C(F)(F)F)nc1CCl 238626918 IEOROHIXTGAKGZ-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA Cc1ccccc1C(=O)CBr 2525561 XMGAXELQRATLJP-UHFFFAOYSA-N 213.074 2.573 50 50 BFGA in-vitro COc1cc(C(=O)Cl)ccc1OC(C)C 33433969 FVHZNLYHOIKLTD-UHFFFAOYSA-N 228.675 2.861 50 50 BFGA Cc1ccc(C)c(NC(=O)[C@H](C)Cl)c1 12504886 XFJQOYYSGXWMEA-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro Br[C@@H]1CCCC[C@H]1[n+]1ccccc1 155455 NMUIXRWQDLORQL-GHMZBOCLSA-N 241.152 2.853 50 50 BFGA [C-]#[N+][C@@H](CC=C)S(=O)(=O)c1ccc(C)cc1 100206266 OEZHRMOVCQGFOJ-GFCCVEGCSA-N 235.308 2.590 50 50 BFGA N#C[C@]1(O)CCCC[C@@H]1c1ccccc1 101370231 QIBMDZSPTGWYAU-CHWSQXEVSA-N 201.269 2.599 50 50 BFGA N#C[C@@]1(O)CCCC[C@H]1c1ccccc1 101370234 QIBMDZSPTGWYAU-STQMWFEESA-N 201.269 2.599 50 50 BFGA Cc1ccccc1NC(=O)OCCCl 1555340 PIOZIBLZIUQMLU-UHFFFAOYSA-N 213.664 2.782 50 50 BFGA ClCc1cn2cc(Cl)ccc2n1 3888242 DXVDJNHXCPDUIU-UHFFFAOYSA-N 201.056 2.727 50 50 BFGA in-vitro CCOC(=O)CCCCCCBr 2168256 OOBFNDGMAGSNKA-UHFFFAOYSA-N 237.137 2.895 50 50 BFGA in-vitro Cc1ccc(C(=O)[C@@H](C)Br)cc1 4283707 OZLUPIIIHOOPNQ-MRVPVSSYSA-N 227.101 2.961 50 50 BFGA in-vitro COc1cccc(CBr)c1F 16159560 AFJSFTQVPPXCRQ-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro CCc1ccccc1NC(=O)CCCl 4655657 WJYUVJJTIGOUGM-UHFFFAOYSA-N 211.692 2.816 50 50 BFGA in-vitro N#CSc1cc(Br)c(N)cc1F 38537363 GWNBVAIZLOCOPQ-UHFFFAOYSA-N 247.092 2.744 50 50 BFGA in-vitro [C-]#[N+]CCc1ccc(OCC)c(OCC)c1 100000357 ZRFLTIZSOWMELW-UHFFFAOYSA-N 219.284 2.946 50 50 BFGA in-vitro IC[C@@H]1C[C@H]2CC[C@H]1C2 238850819 CVFNHQHHCQFJDT-FXQIFTODSA-N 236.096 2.858 50 50 BFGA OC12C[C@H]3C[C@@H](C1)CC(CBr)(C3)C2 12410521 GTPYLJQQDHYXDY-IXBNRNDTSA-N 245.160 2.713 50 50 BFGA O=C(Cl)c1cc(F)c(F)cc1Cl 2540168 WVGSPMZLNNRZRH-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA in-vitro CN(C)NC(=O)Nc1cccc(Cl)c1Cl 2170999 NMTSEFNQFGJHNN-UHFFFAOYSA-N 248.113 2.592 50 50 BFGA O=[N+]([O-])c1cc(F)ccc1CBr 37597627 NBRNHHKYVFAXCZ-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA in-vitro Cc1ccc2cc(CCCl)c(=O)[nH]c2c1 332877 FZGDNCQOGMDOHF-UHFFFAOYSA-N 221.687 2.618 50 50 BFGA Fc1ccccc1Cn1cc(N=C=S)cn1 2536591 OIJKXNUEPKFVEZ-UHFFFAOYSA-N 233.271 2.805 50 50 BFGA CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCl 19094142 IWYOLTOAYPMSIZ-UWVGGRQHSA-N 231.767 2.946 50 50 BFGA in-vitro O=C(Cl)Cc1c(F)cccc1Cl 20426029 UWZFOGRTURIZSK-UHFFFAOYSA-N 207.031 2.787 50 50 BFGA in-vitro ClCCCNc1nc2ccccc2[nH]1 21005947 BQTZKUNSSYZPBS-UHFFFAOYSA-N 209.680 2.604 50 50 BFGA COc1ccc(C(=O)CCCCl)c(OC)c1 1635543 XWCCYSWTIUDHGA-UHFFFAOYSA-N 242.702 2.906 50 50 BFGA CN(C)NC(=O)Nc1ccc(Cl)cc1Cl 2171012 OOAUOCGNRBPOOI-UHFFFAOYSA-N 248.113 2.592 50 50 BFGA C[C@H](NC(=O)CCl)c1cccc2cnccc12 2325890329 ZIKBKCYHFVVVMF-VIFPVBQESA-N 248.713 2.651 50 50 BFGA BrCCCCCBr 1680878 IBODDUNKEPPBKW-UHFFFAOYSA-N 229.943 2.947 50 50 BFGA Cc1occc1C(=O)N/N=C/[C@H]1CC=CCC1 4989991 WJXACMAMURNSBG-LUHPIMIVSA-N 232.283 2.660 50 50 BFGA O=C(CCCl)Nc1ccc2c(c1)CCC2 12505122 QJMWYGURKXRWFW-UHFFFAOYSA-N 223.703 2.743 50 50 BFGA in-vitro Cc1ccc(-c2noc(CCl)n2)cc1 3888184 DMBGFZDUDJUQLX-UHFFFAOYSA-N 208.648 2.784 50 50 BFGA in-vitro Cc1ccc2c(c1)OC[C@H](CBr)O2 45328882 LVRCXDPCFJJIHK-QMMMGPOBSA-N 243.100 2.530 50 50 BFGA CCc1cc(F)ccc1OCC(=O)Cl 263622797 AYTVVNIGDJZHPY-UHFFFAOYSA-N 216.639 2.532 50 50 BFGA Cn1ccnc1S/C(C=O)=C/c1ccccc1 300389 MHHIAXKDPPATOF-FMIVXFBMSA-N 244.319 2.752 50 50 BFGA C[C@H]1Cc2ccccc2N1C(=O)CCCl 2586698 BEVRPLJWSVKGCF-VIFPVBQESA-N 223.703 2.593 50 50 BFGA O=C(Cl)c1ccc(-c2ncccn2)cc1 12370546 AQFRTZZTRGGBKO-UHFFFAOYSA-N 218.643 2.523 50 50 BFGA O=C(Cl)c1cc(Cl)cc(Cl)n1 166911337 YGWRJXZYLFQGJD-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA O=C(CBr)c1c(F)cccc1F 2525239 UZKLFNHMBFDXEN-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA in-vitro COc1cc(F)ccc1CBr 12359218 RMNIOIWNIRMLQQ-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro O=C=Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 25726061 FWBGKEPRECQBTL-UHFFFAOYSA-N 232.117 2.581 50 50 BFGA CCCCC/C(C)=C(\C#N)C(=O)OCC 1714005 HQINTTXKTGGJNL-ZHACJKMWSA-N 209.289 2.970 50 50 BFGA O=C(Cl)c1sccc1Br 2555785 QMKGMTULPADQDK-UHFFFAOYSA-N 225.494 2.890 50 50 BFGA COc1cccc(CBr)c1 2558989 ZKSOJQDNSNJIQW-UHFFFAOYSA-N 201.063 2.590 50 50 BFGA in-vitro C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Cl 6249335 JNHPAGIXYJDLQL-QMMMGPOBSA-N 224.687 2.708 50 50 BFGA Fc1c(CCl)ccnc1Br 90395297 WTPWIVPQSVZCSY-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA in-vitro O=C(N/N=C/[C@@H]1CC=CCC1)c1ccccc1 4989618 UNBGRLCIZNRBME-PKVLTRFUSA-N 228.295 2.759 50 50 BFGA Cc1occc1C(=O)N/N=C/[C@@H]1CC=CCC1 4989992 WJXACMAMURNSBG-ZECSTPGPSA-N 232.283 2.660 50 50 BFGA CC(C)(C)OC(=O)N1CCC[C@@H](Cl)C1 44136737 JPSPBVBCTKBAEJ-MRVPVSSYSA-N 219.712 2.625 50 50 BFGA in-vitro O=C(c1ccccc1)N1CCC[C@@H]1CCl 71082051 RKPGLCOGWPVEHD-LLVKDONJSA-N 223.703 2.530 50 50 BFGA CCOC(=O)CO[Si](C)(C)C(C)(C)C 196105790 VMYQJDCENDEETH-UHFFFAOYSA-N 218.369 2.571 50 50 BFGA O=[N+]([O-])c1ccc(N=C=S)c(Cl)c1 4253255 JSYNALWWKRNZDX-UHFFFAOYSA-N 214.633 2.983 50 50 BFGA C/C(=N/NC(=O)c1ccccc1)c1cccs1 12341460 FDMVTSJWRWLLPM-UVTDQMKNSA-N 244.319 2.902 50 50 BFGA CC(C)(C)OC(=O)NN(CC1CC1)CC1CC1 230569544 OMTLONBHLMYGDZ-UHFFFAOYSA-N 240.347 2.548 50 50 BFGA C[C@H](Cl)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 1875364868 WTXUTXRNOPGQQO-VVZSVHDDSA-N 241.762 2.651 50 50 BFGA CCOC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 57154 XDRLIASMKGKPDX-JXMROGBWSA-N 240.262 2.638 50 50 BFGA CCCCC/C=C/C[C@H]1CC(=O)OC1=O 100165038 WSGFXVFLWVXTCJ-FGEFZZPRSA-N 210.273 2.603 50 50 BFGA endogenous,in-man Fc1ccc(Br)c(CCl)n1 238615942 YWQFWDXIBLXTRD-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA O=C(N/N=C/c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 101837412 DJWDETGXNBGOHX-TVYFLANUSA-N 248.351 2.634 50 50 BFGA N#CS[C@@H](C#N)Cc1ccc(Cl)cc1 81556 AOUMWBIKKHDKSP-SNVBAGLBSA-N 222.700 2.989 50 50 BFGA O=C(N[C@@H]1CCCC[C@@H]1Cl)c1ccccc1 1603142 ULDPPCLUGPGBJJ-NWDGAFQWSA-N 237.730 2.966 50 50 BFGA CCCCOC(=O)/C(O)=C(\C#N)c1ccccc1 102312838 JBTIGRIJEKCKOV-SEYXRHQNSA-N 245.278 2.823 50 50 BFGA CCCOc1ccc(C(=O)Cl)cc1OC 33433971 YOSIMWRSPAHNQH-UHFFFAOYSA-N 228.675 2.863 50 50 BFGA N#CS[C@H](C#N)Cc1cccc(Cl)c1 284893 NOSBUFMQYHAZOZ-JTQLQIEISA-N 222.700 2.989 50 50 BFGA N#CC(C#N)=C1CCCc2sccc21 1700967 HPWLMNINCQCPAQ-UHFFFAOYSA-N 200.266 2.885 50 50 BFGA N#CSCC(=O)c1ccccc1Cl 12336428 QAENMNOJCRIHAE-UHFFFAOYSA-N 211.673 2.737 50 50 BFGA in-vitro O=C1c2ccccc2[C@]2(OO)[C@H]3CC[C@@H](C3)[C@@H]12 216454897 ZPECVIAPXCOQKT-XYDQJSOLSA-N 230.263 2.614 50 50 BFGA F[C@@H](Cl)OC(F)(F)[C@H](F)C(F)(F)F 8698273 GPRYVSOUOYKCHJ-JCYAYHJZSA-N 234.498 2.988 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)OCC1(CO)CC1 201455183 RYQZYGDRTDFDEF-UHFFFAOYSA-N 216.397 2.781 50 50 BFGA ClCc1cc2c(cc1CCl)OCCO2 100037856 DPAYFSXIBAMHLR-UHFFFAOYSA-N 233.094 2.935 50 50 BFGA CO/N=C(/C)c1ccc(/C(C#N)=C/N(C)C)s1 1391823 NRPZBTMYGVBNHV-VMXBWBJUSA-N 249.339 2.545 50 50 BFGA O=C(NNc1ccccc1)Nc1ccccc1 1845942 NGZZNUMYERKSQA-UHFFFAOYSA-N 227.267 2.835 50 50 BFGA Cc1ccc(C(=O)CBr)cc1F 16125739 GWKPUJFMTNFANT-UHFFFAOYSA-N 231.064 2.712 50 50 BFGA in-vitro CC(C)(C)OC(=O)N1CCC[C@H](Cl)C1 44136734 JPSPBVBCTKBAEJ-QMMMGPOBSA-N 219.712 2.625 50 50 BFGA in-vitro CCCN(C(=O)CCl)c1ccccc1 1732686 JODDYISEVBVLSB-UHFFFAOYSA-N 211.692 2.668 50 50 BFGA COc1ccc(NC(=O)C(C)(C)CCl)cc1 3104466 WFAGEXPFVSWIQZ-UHFFFAOYSA-N 241.718 2.899 50 50 BFGA Cc1ccc(F)cc1NC(=O)CCCl 13322881 UJVMVSBNTJTGOO-UHFFFAOYSA-N 215.655 2.702 50 50 BFGA in-vitro ClC[C@H]1CCCN1Cc1ccccc1 33824642 QDLRSEZDDYKFTJ-GFCCVEGCSA-N 209.720 2.890 50 50 BFGA in-vitro ICC1CCCC1 2507567 DUMSKQUKLVSSII-UHFFFAOYSA-N 210.058 2.612 50 50 BFGA in-vitro CCOC(=O)/C(C#N)=C(\C)c1ccccc1 56880 AJDOTEWSLNGINB-ZRDIBKRKSA-N 215.252 2.547 50 50 BFGA O=C(CCl)Nc1cccc(C(F)(F)F)c1 161135 MOEJRZLPQODXGM-UHFFFAOYSA-N 237.608 2.883 50 50 BFGA biogenic,in-vitro O=C(CCl)Nc1ccc(Br)cc1 119308 FRZKCMCCQAJIBN-UHFFFAOYSA-N 248.507 2.626 50 50 BFGA Cc1cccc(C)c1NC(=O)[C@H](C)Cl 4013807 QYFFOECQCIFQMX-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro O=C(CCl)c1c[nH]c2cc(F)ccc12 6678421 DORWTPUKOURUQP-UHFFFAOYSA-N 211.623 2.729 50 50 BFGA CC1=C(C)C[C@@]23CCCC[C@@]2(C1)C(=O)OC3=O 101045895 GVMGZPGGDWIMGH-ZIAGYGMSSA-N 234.295 2.747 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@]1(CC=O)CCOC1 616582093 BHGUYRWRYLHADF-GFCCVEGCSA-N 244.407 2.756 50 50 BFGA O=C1c2ccccc2CC[C@@H]1Br 6117241 AYNCWMIFKFADCZ-VIFPVBQESA-N 225.085 2.579 50 50 BFGA CC1=CC[C@@]23CCCCC[C@]2(C1)C(=O)OC3=O 101002643 QIMJAOMIQCZOKP-KGLIPLIRSA-N 234.295 2.747 50 50 BFGA O=C1c2ccccc2[C@@]2(OO)[C@@H]1[C@H]1C=C[C@H]2CC1 101051315 QLYUKMAHQNAWQL-UOJCWERNSA-N 242.274 2.780 50 50 BFGA COC(=O)CCCCCCCBr 2578901 IZIJRYNUYQXBPG-UHFFFAOYSA-N 237.137 2.895 50 50 BFGA CC[C@H](Cl)C(=O)Nc1ccc(OC)cc1 8183805 WBMSGSBWCBXINB-JTQLQIEISA-N 227.691 2.651 50 50 BFGA in-vitro N#CC(C#N)=C(Nc1ccccc1)C(F)(F)F 3121690 PFBKGLBYUZTOSV-UHFFFAOYSA-N 237.184 2.962 50 50 BFGA N#CC1=C2CCCC[C@@H]2C2(CCCCC2)NC1=O 71773659 KDXGNMSARQDQIO-ZDUSSCGKSA-N 244.338 2.829 50 50 BFGA CCC[C@H](C)C(=O)OC(=O)[C@H](C)CCC 100508546 NCYCWNILADFMPI-AOOOYVTPSA-N 214.305 2.929 50 50 BFGA Cc1ccc2[nH]c(CCl)cc(=O)c2c1 8703725 IEVBJWGWJUUPJE-UHFFFAOYSA-N 207.660 2.575 50 50 BFGA in-vitro N#C[C@@]1(O)CCCC[C@@H]1c1ccccc1 101370228 QIBMDZSPTGWYAU-OLZOCXBDSA-N 201.269 2.599 50 50 BFGA C[C@H](NC(=O)C(Cl)Cl)c1ccccc1 299621 OKVKOBMHKRIIOW-ZETCQYMHSA-N 232.110 2.668 50 50 BFGA in-vitro O=C(CCCl)Nc1ccc(F)cc1F 5568070 XEYNSCICHAFISQ-UHFFFAOYSA-N 219.618 2.532 50 50 BFGA in-vitro CCCC(=O)NNc1cccc(Cl)c1 22014138 BBAWIMBQIXQDCE-UHFFFAOYSA-N 212.680 2.583 50 50 BFGA Cc1cnc(CBr)c(C)c1 81990533 HHTUXJZGWMKIKV-UHFFFAOYSA-N 200.079 2.593 50 50 BFGA C[C@@H]1CCC/C(=N\NC(=O)c2ccc(O)cc2)C1 4964227 PZFKYEQRCAWRHQ-ABQLBJTMSA-N 246.310 2.688 50 50 BFGA COc1ccc(NC(=O)CCl)cc1Cl 3289284 GKEFUXJDYQAQTF-UHFFFAOYSA-N 234.082 2.526 50 50 BFGA in-vitro Cc1cc(C)c2[nH]c(CCl)cc(=O)c2c1 8703727 LSQASVXCCQEYHR-UHFFFAOYSA-N 221.687 2.884 50 50 BFGA in-vitro O=C(Nc1ccccc1)OCCBr 1755485 QVXXUDSODOZFNA-UHFFFAOYSA-N 244.088 2.630 50 50 BFGA O=C(Cl)c1cc(Cl)nc(Cl)c1 2510221 QLRUROKTVFUQIV-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA in-vitro N#CC(C#N)=C1NC2(CCCC2)Cc2ccccc21 52426 LNXBOPLUVQMAIN-UHFFFAOYSA-N 249.317 2.903 50 50 BFGA CCC[C@@H](C)C(=O)OC(=O)[C@H](C)CCC 100508555 NCYCWNILADFMPI-NXEZZACHSA-N 214.305 2.929 50 50 BFGA O=C(Cl)Cc1ccc(Br)cc1 2581946 VQVBNWUUKLBHGI-UHFFFAOYSA-N 233.492 2.757 50 50 BFGA in-vitro O=C=Nc1cc(C2CC2)nn1-c1ccccc1 71792210 DUAXVPOHSARCIB-UHFFFAOYSA-N 225.251 2.717 50 50 BFGA CC[C@@H](Oc1ccc(F)cc1F)C(=O)Cl 40451357 HYUWDEJDNKJEID-MRVPVSSYSA-N 234.629 2.888 50 50 BFGA CC[C@H](Br)C(=O)NC1CCCCC1 9304501 SYUMGAJCRZWJBT-VIFPVBQESA-N 248.164 2.609 50 50 BFGA COC(=O)c1ccc([C@@H](C)Br)cc1 39209639 IXZOUWPYWNKWCX-SSDOTTSWSA-N 243.100 2.929 50 50 BFGA O=C(O)[C@@H](Cl)CCCOc1ccccc1 71772952 VHOQVAZIXAJCHS-JTQLQIEISA-N 228.675 2.538 50 50 BFGA O=C(Cl)COCc1nc2ccccc2s1 95221222 IONMQOVJLSXZTD-UHFFFAOYSA-N 241.699 2.578 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)C1 169806685 ILGIKHCMCDNBSK-DTORHVGOSA-N 202.370 2.532 50 50 BFGA Fc1nccc(CCl)c1C(F)(F)F 238600032 VJWANJFMMUSSPL-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA O=C=Nc1ccc(OC(F)F)c(Cl)c1 2540171 ARTMPJBCJHOVJE-UHFFFAOYSA-N 219.574 2.909 50 50 BFGA in-vitro Cc1ccc(C)c(C(=O)CBr)c1 19843001 RNNKPAIUSINHSQ-UHFFFAOYSA-N 227.101 2.881 50 50 BFGA in-vitro C[C@@H](Br)C[C@@H](C)Br 2579096 KUZOHDYKJXNCSI-RFZPGFLSSA-N 229.943 2.943 50 50 BFGA in-vitro COc1ccc(C(=O)N/N=C(/C)CC(C)C)cc1 4990599 KGCGSBOKYHBIRU-PTNGSMBKSA-N 248.326 2.847 50 50 BFGA N#Cc1ccc(F)cc1CBr 14989238 CHCAGFNTASDQFX-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro O=C1[C@@H](Br)CCC2=C[C@H]3CC[C@H]1[C@@H]23 71786627 IQWUNVDKQOJLQB-DOWZNPNQSA-N 241.128 2.695 50 50 BFGA CC(C)(C)[Si](C)(C)OC1CCNCC1 196044098 GCPNPVFWMHBPNS-UHFFFAOYSA-N 215.413 2.760 50 50 BFGA in-vitro Cn1ccc(-c2ccc(CCl)cc2)n1 12370177 YLJMPTWMRVXTQQ-UHFFFAOYSA-N 206.676 2.826 50 50 BFGA in-vitro CC(C)c1cccc(NC(=O)CCl)c1 12505003 YNVVQJCHGHPBTH-UHFFFAOYSA-N 211.692 2.987 50 50 BFGA O=C(Cl)c1ccc(F)c(C(=O)Cl)c1 59796799 FZQOFIVDXNZKTJ-UHFFFAOYSA-N 221.014 2.584 50 50 BFGA Fc1cccc(OCCBr)c1 19415928 ASYXQQHCOZDDAJ-UHFFFAOYSA-N 219.053 2.599 50 50 BFGA in-vitro CC(C)(C)SCCI 306756982 SAFILBYMFSPSLO-UHFFFAOYSA-N 244.141 2.953 50 50 BFGA O=C(Cl)OCC(Cl)(Cl)Cl 1555770 LJCZNYWLQZZIOS-UHFFFAOYSA-N 211.859 2.732 50 50 BFGA biogenic O=C(Cl)c1cc(F)c(F)c(F)c1F 2149549 XWCKIXLTBNGIHV-UHFFFAOYSA-N 212.529 2.622 50 50 BFGA in-vitro O=C=NCc1ccc(C(F)(F)F)cc1 36047158 MBBQXHDBRSSIKS-UHFFFAOYSA-N 201.147 2.541 50 50 BFGA in-vitro O=C(Cl)c1ccc(CCCl)cc1 143456808 FVZABLLXAIMRFE-UHFFFAOYSA-N 203.068 2.847 50 50 BFGA C[Si](O[Si](C)(C)C)O[Si](C)(C)C 195814910 SWGZAKPJNWCPRY-UHFFFAOYSA-N 221.501 2.807 50 50 BFGA BrCc1cnc2ccccc2n1 8731356 DBRMJCLTIHPLCZ-UHFFFAOYSA-N 223.073 2.525 50 50 BFGA in-vitro COc1nccc(C(F)(F)F)c1CCl 238422946 YINUHXNVIZVMKR-UHFFFAOYSA-N 225.597 2.848 50 50 BFGA Cc1ccc(OCCBr)cc1 1646572 VCYNKCKSPFGUSA-UHFFFAOYSA-N 215.090 2.769 50 50 BFGA in-vitro CC1(C)OB(CCCBr)OC1(C)C 169743517 CHQXFJUKMDJWHO-UHFFFAOYSA-N 248.957 2.864 50 50 BFGA in-vitro C[C@@]12CC[C@@H](CC1=O)[C@]2(C)CBr 157954 JOXACTPHKLKJNP-SFGNSQDASA-N 231.133 2.777 50 50 BFGA O=C(NNc1ccccc1)Nc1ccc(F)cc1 2147202 TWELWKHVZGHGSV-UHFFFAOYSA-N 245.257 2.974 50 50 BFGA CC(C)(C#N)CCCI 72232844 NWJMCDUSEGNZOU-UHFFFAOYSA-N 237.084 2.751 50 50 BFGA C[Si](C)(C)O[C@H](C#N)c1ccc(C#N)cc1 169925862 XPXHTAMAYYQTPB-GFCCVEGCSA-N 230.343 2.974 50 50 BFGA in-vitro O=C(CCCl)c1ccc2c(c1)CCC2 2143300 VTEOHCVWRXWJEI-UHFFFAOYSA-N 208.688 2.987 50 50 BFGA in-vitro O=C(Cl)c1nc(Cl)ccc1Cl 71789938 DYKPANQCIFHPMI-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA in-vitro CCOC1=C(C#N)C(=O)C[C@@H](c2ccc(C)o2)C1 95117759 LKIBQIDGNZJFGO-SNVBAGLBSA-N 245.278 2.849 50 50 BFGA COC(=O)c1cccc(SCl)c1 196243896 BGGLFSMDNTURAD-UHFFFAOYSA-N 202.662 2.719 50 50 BFGA O=C(CCl)c1c[nH]c2ccc(F)cc12 523881 HXIFGVNMNJLYBW-UHFFFAOYSA-N 211.623 2.729 50 50 BFGA in-vitro Cc1nn(-c2ccccc2)cc1C(=O)Cl 2027789 UDWBZSROWRYHRG-UHFFFAOYSA-N 220.659 2.560 50 50 BFGA O=C=NCCc1ccc(Cl)c(Cl)c1 2509896 NWTVTCGHLQMSOQ-UHFFFAOYSA-N 216.067 2.872 50 50 BFGA N#Cc1ccc(Cl)c(C(=O)Cl)c1 39057140 NSYWZVSVGZQXSF-UHFFFAOYSA-N 200.024 2.591 50 50 BFGA BrC[C@@H]1CCc2ccccc2O1 20358143 FQPRCEFOQRTXQL-VIFPVBQESA-N 227.101 2.775 50 50 BFGA in-vitro CC(C)[C@@H](CNC(=O)CCl)c1ccccc1 238850948 DLOSSWWCWDDILT-GFCCVEGCSA-N 239.746 2.781 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2csc(C)c2)o1 373964 KJSRGXBMCZAIHI-AWNIVKPZSA-N 248.307 2.722 50 50 BFGA COc1ccc(CBr)c(F)c1F 2528368 AMLNZEUOTXDYNB-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA N#CCc1ccccc1CBr 75618646 KBAPOYSPGUUBJQ-UHFFFAOYSA-N 210.074 2.648 50 50 BFGA Cc1[nH]c(C)c(SC#N)c1SC#N 334281 OWYPIPRFVLLAID-UHFFFAOYSA-N 209.299 2.778 50 50 BFGA O=C(Cl)c1cccc(Br)c1 1662293 PBOOZQFGWNZNQE-UHFFFAOYSA-N 219.465 2.828 50 50 BFGA biogenic COc1ccc(F)c(CBr)c1F 2527829 JCGVLYZGZNSCQD-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA COc1ccc(F)c(C(=O)Cl)c1Cl 2527866 STGRVLVQFDZTON-UHFFFAOYSA-N 223.030 2.867 50 50 BFGA COC(=O)c1cc(F)cc(CBr)c1 116078656 LOZCUFYQMNZINM-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA COC(=O)[C@@H](Cl)c1ccccc1Cl 22008521 BUGNHCGQRDZRSQ-QMMMGPOBSA-N 219.067 2.793 50 50 BFGA in-vitro CC(C)[C@@H](Br)C(=O)OC(C)(C)C 34161796 KNIZFFZJAVQDNV-SSDOTTSWSA-N 237.137 2.748 50 50 BFGA CCOC(=O)/C(C#N)=C(/C)c1ccc(C)s1 309176835 DBADGMDFWNJTFO-KTKRTIGZSA-N 235.308 2.917 50 50 BFGA CSc1ccc(NC(=O)CCl)cc1 1655711 NHFSKNQUFJHKKE-UHFFFAOYSA-N 215.705 2.586 50 50 BFGA in-vitro Cc1cc(C)cc(NC(=O)[C@H](C)Cl)c1 19488724 TWSQLASSNGUZTH-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro COc1ccc(CBr)cc1F 2567364 KLWYYWVSFYRPLM-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro O=C(CCl)[C@@H]1C[C@H]1c1cccs1 1857784824 LXBBOJHRYMMODJ-RNFRBKRXSA-N 200.690 2.660 50 50 BFGA O=C(Cl)c1ccc(OC(F)(F)F)cc1 2169272 ZXKKOFJYPRJFIE-UHFFFAOYSA-N 224.565 2.964 50 50 BFGA in-vitro CCC/C(=N\NC(=O)C1CC1)c1ccc(F)cc1 4956030 FQCOARRFXRQROQ-DTQAZKPQSA-N 248.301 2.856 50 50 BFGA Cc1cccc(OC(C)(C)C(=O)Cl)c1 33433260 ZVTAYKKOZNBZES-UHFFFAOYSA-N 212.676 2.918 50 50 BFGA Cc1cccc(CNCCCBr)c1 95831116 VUTMKWLQHAZOTF-UHFFFAOYSA-N 242.160 2.870 50 50 BFGA C/C(O)=C(\C#N)[P@@](C)(=O)OCC(C)C 100826329 RPSBGGBEOIKDCO-CKXPSTMWSA-N 217.205 2.880 50 50 BFGA Cc1ccc(Br)c(CCl)n1 238531339 UCASFXOSXOVRHM-UHFFFAOYSA-N 220.497 2.891 50 50 BFGA Fc1nc(C(F)(F)F)ccc1CCl 238590865 NYPHYIJCWVYRTM-UHFFFAOYSA-N 213.561 2.978 50 50 BFGA O=C(NN=C1CCCCC1)c1cccs1 588471 XLIMVVMOOBOXHI-UHFFFAOYSA-N 222.313 2.798 50 50 BFGA O=C=NCc1ccc(Cl)c(Cl)c1 2568125 WLNAHQZFPSSVTP-UHFFFAOYSA-N 202.040 2.829 50 50 BFGA in-vitro N#CC(C#N)=C1CC(=C(C#N)C#N)c2ccccc21 100015638 HBZYYOYCJQHAEL-UHFFFAOYSA-N 242.241 2.692 50 50 BFGA in-vitro CC(C)(C)C1CCC(=C(C#N)C(N)=O)CC1 6385873 JUPIPGPAQSSTFD-UHFFFAOYSA-N 220.316 2.528 50 50 BFGA CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl 40451385 DFFNKEZSCROFIA-QMMMGPOBSA-N 243.646 2.518 50 50 BFGA CC(C)(C(=O)Cl)c1ccccc1[N+](=O)[O-] 98213417 NWGVLVBRUNFGHY-UHFFFAOYSA-N 227.647 2.638 50 50 BFGA CCC(CBr)CBr 115577053 XFGAIQYQWGRYSL-UHFFFAOYSA-N 229.943 2.802 50 50 BFGA in-vitro Oc1cc(CCl)c(C(F)(F)F)cn1 238685843 PUACKOOYISSPAK-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA O=C(N[C@H]1CCCC[C@H]1Cl)c1ccccc1 1603139 ULDPPCLUGPGBJJ-NEPJUHHUSA-N 237.730 2.966 50 50 BFGA O=C(Cl)C1(Br)CCCCC1 79387340 NSHUQRZWSFUWOY-UHFFFAOYSA-N 225.513 2.850 50 50 BFGA O=C/C=C/c1ccc(Br)cc1 2505877 XYRAWLRFGKLUMW-OWOJBTEDSA-N 211.058 2.661 50 50 BFGA in-vitro Cc1ccc(C)c([C@H](C)NC(=O)CCl)c1 19094151 WFWAHWDSGXVMOJ-JTQLQIEISA-N 225.719 2.719 50 50 BFGA in-vitro BrCCc1ccc2nccnc2c1 44831989 CIHDLNUDQFRWJI-UHFFFAOYSA-N 237.100 2.567 50 50 BFGA COc1cc(CCl)c(Br)cn1 238399142 NFWUOFDMFVKGOY-UHFFFAOYSA-N 236.496 2.592 50 50 BFGA in-vitro O=C/C(Br)=C/OC1CCCCC1 306847345 LDCNZLKUTJBBES-FPLPWBNLSA-N 233.105 2.771 50 50 BFGA [C-]#[N+]CCCN1CCCc2ccccc21 238677850 GDRFYZQKNZNLKV-UHFFFAOYSA-N 200.285 2.749 50 50 BFGA CC(C)(C)[Si](C)(C)O[C@H](C=O)C1CC1 196174886 IWNLNUQRQRSFJO-SNVBAGLBSA-N 214.381 2.986 50 50 BFGA CCOc1ccccc1OCCBr 2388622 IOYHGBZPUZBUTJ-UHFFFAOYSA-N 245.116 2.859 50 50 BFGA in-vitro COc1cc(N=C=O)cc(C(F)(F)F)c1 114717303 QBSACYPSHGFHBX-UHFFFAOYSA-N 217.146 2.681 50 50 BFGA Fc1ccc(CCl)nc1Br 238631041 QGWUDKOMOKWOQK-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA in-vitro C[C@H](Br)c1ccc(C(=O)O)cc1 2163687 VICCYULHZWEWMB-LURJTMIESA-N 229.073 2.841 50 50 BFGA C#Cc1cccc(NC(=O)C(C)(C)CCl)c1 12338514 PWKKQQYXHLAKSW-UHFFFAOYSA-N 235.714 2.871 50 50 BFGA COc1ccc(NC(=O)[C@H](C)Cl)cc1Cl 8324072 DXJCKGBDVUTQAN-LURJTMIESA-N 248.109 2.914 50 50 BFGA CC(C)(C)CCI 45331786 KNKFLSQIGYRZAQ-UHFFFAOYSA-N 212.074 2.858 50 50 BFGA CC(C)(C)[Si](C)(C)OC1CC(CO)C1 203569217 QNUGWZOQASOOEE-UHFFFAOYSA-N 216.397 2.779 50 50 BFGA Cc1nc(C(F)(F)F)ncc1CCl 98213458 HFCUOFAIABHBRI-UHFFFAOYSA-N 210.586 2.543 50 50 BFGA in-vitro ClCc1noc(CCc2ccccc2)n1 34955955 JGMOZOYVOSHZJA-UHFFFAOYSA-N 222.675 2.594 50 50 BFGA O=C(Cl)CCSSCCC(=O)Cl 100227772 VURCJRMYKFUQSW-UHFFFAOYSA-N 247.168 2.679 50 50 BFGA O=[N+]([O-])c1ccc(CBr)cc1F 2243160 ZOZJSWIXPIVMRU-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA in-vitro N#CC(C#N)=CNc1ccc(Cl)cc1 10334636 DGKYZPCAMBEDET-UHFFFAOYSA-N 203.632 2.683 50 50 BFGA CCOC(=O)c1ccc(N=C=S)c(C)c1 31829467 DXSLQUUZTGGNLF-UHFFFAOYSA-N 221.281 2.906 50 50 BFGA O=C(CCl)N1CCC[C@@H]1c1ccc(F)cc1 308919229 IHATUICEPFGKKQ-LLVKDONJSA-N 241.693 2.728 50 50 BFGA COC(=O)[C@H](Cl)c1ccccc1Cl 22008525 BUGNHCGQRDZRSQ-MRVPVSSYSA-N 219.067 2.793 50 50 BFGA in-vitro C[C@H]1CCC/C(=N/NC(=O)[C@@H]2CC23CCC3)C1 4950166 PZZJZMXFOSWBFN-ZDFKUIORSA-N 234.343 2.859 50 50 BFGA C/C(=N\NC(=O)CCc1ccccc1)C1CC1 12343118 NWMKIJUYECOMHL-RVDMUPIBSA-N 230.311 2.521 50 50 BFGA Fc1ccccc1-n1cc(CCl)cn1 19089106 NMVYSAQBXOWKGS-UHFFFAOYSA-N 210.639 2.750 50 50 BFGA in-vitro O=C(NN=C1CCCCCC1)c1ccccc1O 298477 RJEIQUBJRANOMU-UHFFFAOYSA-N 246.310 2.832 50 50 BFGA COc1ccc(C)cc1NC(=O)C(Cl)Cl 2143242 XHSXKUIODBVYRP-UHFFFAOYSA-N 248.109 2.746 50 50 BFGA Fc1cc(F)c(CBr)cc1F 8100949 GAUXEYCSWSMMFZ-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro C[Si](C)(C)CC(=O)O[Si](C)(C)C 170154182 LJHDMLCJRMZKGS-UHFFFAOYSA-N 204.418 2.703 50 50 BFGA CO[Si](C[C@@H](C)CC(C)(C)C)(OC)OC 169806502 UWSYCPWEBZRZNJ-JTQLQIEISA-N 234.412 2.937 50 50 BFGA COc1c(F)cc(CBr)cc1F 2527839 IQTBMXJVMUSGSL-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA O=C(Cl)c1ccc(OC(F)F)cc1 2570689 BRXHGTQXWFFHMM-UHFFFAOYSA-N 206.575 2.667 50 50 BFGA in-vitro CCCn1c(CCl)nc2cnccc21 35270610 XMIZMUOSSZBBPE-UHFFFAOYSA-N 209.680 2.580 50 50 BFGA in-vitro CC(C)(Br)CBr 1699872 SDTXSEXYPROZSZ-UHFFFAOYSA-N 215.916 2.555 50 50 BFGA COC(=O)c1ccc([C@H](C)Br)cc1 39209638 IXZOUWPYWNKWCX-ZETCQYMHSA-N 243.100 2.929 50 50 BFGA CC(C)(CCl)C(=O)Nc1cccnc1Cl 2569406 ZTRFYWRMGIMLRY-UHFFFAOYSA-N 247.125 2.939 50 50 BFGA Cc1ccc(F)c(NC(=O)CCCl)c1 13322693 XGFSIKYRHDIMRU-UHFFFAOYSA-N 215.655 2.702 50 50 BFGA in-vitro CC(C)=CC1=C(C)[C@H](C)[C@H]2C(=O)OC(=O)[C@H]2C1 242548099 LCMBVMZMOYGTMT-ZMLRMANQSA-N 234.295 2.625 50 50 BFGA CCOC(=O)c1ccc(N=C=S)cc1 167288 MLOJHUCMCKBDLV-UHFFFAOYSA-N 207.254 2.598 50 50 BFGA in-vitro BrC[C@H]1CCc2ccccc2O1 20358145 FQPRCEFOQRTXQL-SECBINFHSA-N 227.101 2.775 50 50 BFGA in-vitro C[C@@H](Br)CCBr 2041100 XZNGUVQDFJHPLU-SCSAIBSYSA-N 215.916 2.555 50 50 BFGA in-vitro ClCCCCc1nnnn1C1CCCCC1 2572703 INTQSGGUSUSCTJ-UHFFFAOYSA-N 242.754 2.740 50 50 BFGA in-vitro O=C(NCCCCl)c1cccc(Cl)c1 2025946 JVOMANMSYJWDAH-UHFFFAOYSA-N 232.110 2.699 50 50 BFGA C[C@@H](Br)C(=O)OCc1ccccc1 6442765 IZZIPPQWYVRGRS-MRVPVSSYSA-N 243.100 2.513 50 50 BFGA in-vitro COC(=O)c1cccc(CBr)c1F 115123819 NSVDTWNBEXSVII-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA CCCCCC[C@H](O)CBr 140047574 UOOOQHMFMRVNJN-QMMMGPOBSA-N 209.127 2.713 50 50 BFGA COc1ccc(C(F)(F)F)nc1CCl 238355023 HNQOKBPUDYYFDC-UHFFFAOYSA-N 225.597 2.848 50 50 BFGA C[C@H](Cl)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 238860552 ZWRHZCDJUHUGET-HPENLJRUSA-N 229.751 2.555 50 50 BFGA in-vitro Cc1ccc(Cn2cc(N=C=S)cn2)cc1 2536583 VKGZTVBBKKIOCS-UHFFFAOYSA-N 229.308 2.974 50 50 BFGA C[C@@H](Cl)C(=O)NCc1ccc2ccoc2c1 1875364596 XKGJGVLJQVDPQJ-MRVPVSSYSA-N 237.686 2.676 50 50 BFGA O=C(O)/C(=C/c1ccccc1)CBr 2173105 PBFLFNQSKSBNRO-RMKNXTFCSA-N 241.084 2.550 50 50 BFGA O=C(Cl)CC(=O)Cc1ccccc1Cl 263624036 MWNQLYSHSVEUHV-UHFFFAOYSA-N 231.078 2.607 50 50 BFGA O=C(CCl)NCC12CC3CC(CC(C3)C1)C2 3278167 DFXOTENDXREYFZ-UHFFFAOYSA-N 241.762 2.558 50 50 BFGA CC[C@@H](Br)CBr 2034886 CZWSZZHGSNZRMW-SCSAIBSYSA-N 215.916 2.555 50 50 BFGA ClCc1ccncc1Br 90500424 VXINHFGHWYFFSP-UHFFFAOYSA-N 206.470 2.583 50 50 BFGA in-vitro ClCc1cccc(Br)n1 35569735 BYQJMBHZLIDFBY-UHFFFAOYSA-N 206.470 2.583 50 50 BFGA COC(=O)[C@H](Cl)Cc1ccc(Cl)cc1 2019170 YJKIALIXRCSISK-SECBINFHSA-N 233.094 2.663 50 50 BFGA in-vitro O=C=Nc1cc(C(F)(F)F)cnc1Cl 725331746 PELDKSJOYUQUBX-UHFFFAOYSA-N 222.553 2.721 50 50 BFGA N#CC(C#N)=Cc1c(F)cccc1Cl 139842 BNHYEOYUVVJRCF-UHFFFAOYSA-N 206.607 2.910 50 50 BFGA CC[C@@H](Cl)C(=O)Nc1ccc(C)cc1 15423331 SRKVFEGDMXEMQK-SNVBAGLBSA-N 211.692 2.951 50 50 BFGA in-vitro Cc1ccccc1N1C[C@H](CCl)OC1=O 333999 MCTAKNRODSQEPA-VIFPVBQESA-N 225.675 2.559 50 50 BFGA O=C=NCCc1c(Cl)cccc1Cl 2509897 LMGMQYDSGWXNPT-UHFFFAOYSA-N 216.067 2.872 50 50 BFGA in-vitro CC(C)(C)OC(=O)NNc1ccccc1 5284102 PYEQNXVGJRAEIG-UHFFFAOYSA-N 208.261 2.538 50 50 BFGA COCc1cccc(CBr)c1 82164304 BMGVAPLBALXXEC-UHFFFAOYSA-N 215.090 2.728 50 50 BFGA CC(C)c1cc(C(C)C)c(B(O)O)c(C(C)C)c1 169746797 FGFYEKLWZBTLEW-UHFFFAOYSA-N 248.175 2.737 50 50 BFGA in-vitro O=C(Cl)c1c(F)ccc(F)c1Cl 2382093 CBFPZKKUVNEIFF-UHFFFAOYSA-N 210.994 2.997 50 50 BFGA biogenic,in-vitro CC1=CC[C@@]23CCCCC[C@@]2(C1)C(=O)OC3=O 101002640 QIMJAOMIQCZOKP-ZIAGYGMSSA-N 234.295 2.747 50 50 BFGA CC(C)=CCC[C@@H](C)NC(=O)[C@H](F)Cl 2325820724 SOLBVYMCCIBTRE-BDAKNGLRSA-N 221.703 2.772 50 50 BFGA O=C(CBr)c1cc(F)ccc1F 2512333 SFUWMFXQRHHPJP-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA O=C(Cl)c1c(F)c(F)cc(F)c1F 2576990 AELMDUZWKHVPIF-UHFFFAOYSA-N 212.529 2.622 50 50 BFGA CC1=C(C#N)C(c2ccco2)C(C#N)=C(C)N1 19802131 RDWGHKWLVZMGQQ-UHFFFAOYSA-N 225.251 2.562 50 50 BFGA C=CCCCCI 71773496 QTCKFQMYOMTINU-UHFFFAOYSA-N 210.058 2.778 50 50 BFGA CC(=O)[C@@](C#N)(CCCl)c1ccccc1 132755039 UAAQFMGMLJTKQE-LBPRGKRZSA-N 221.687 2.666 50 50 BFGA COC(=O)c1cccc([C@@H](C)Br)c1 96024896 BCYFMMWUMUICEQ-SSDOTTSWSA-N 243.100 2.929 50 50 BFGA C[C@H]1CC(=O)Nc2ccc(CCCl)cc21 147349077 UOYNXQYJKMLTGN-QMMMGPOBSA-N 223.703 2.914 50 50 BFGA CC(C)[C@H](Br)C(=O)OC(C)(C)C 34161795 KNIZFFZJAVQDNV-ZETCQYMHSA-N 237.137 2.748 50 50 BFGA CCOC(=O)c1ccc(N=C=S)c(F)c1 31829473 GXMLTUFHGQXIEO-UHFFFAOYSA-N 225.244 2.737 50 50 BFGA CO/N=C/C(C#N)=C/c1ccc(Cl)cc1 3047043 LILZNYMVXXAGAL-FGEXGLGOSA-N 220.659 2.879 50 50 BFGA C[C@H](Cl)C(=O)N1c2ccccc2C[C@@H]1C 3316824 SJHLFEZNQZDFMP-IUCAKERBSA-N 223.703 2.592 50 50 BFGA in-vitro COc1cc(Cl)ccc1C(=O)Cl 43565653 OKEFBVALFLRAFV-UHFFFAOYSA-N 205.040 2.728 50 50 BFGA C[P+](C)(c1ccccc1)c1ccccc1 60272536 BYGXNRZZNBOSBD-UHFFFAOYSA-N 215.256 2.915 50 50 BFGA COc1ccc(C(C)(C)C)cc1N=C=O 2509916 WBSNUSBTYTUZJW-UHFFFAOYSA-N 205.257 2.960 50 50 BFGA Cc1ccc(NC(=O)CCCl)c(C)c1 5750461 QUELVOCFFFLHOS-UHFFFAOYSA-N 211.692 2.871 50 50 BFGA in-vitro COc1cc(NC(=O)CCCl)ccc1Cl 9189584 INNNKGKVOJVVKN-UHFFFAOYSA-N 248.109 2.916 50 50 BFGA O=C(O)[C@@H](Cl)[C@H](Cl)c1ccccc1 1712231 AUOKIBFNYTZTGY-SFYZADRCSA-N 219.067 2.659 50 50 BFGA CCSC(=O)N[C@H]1CCCC[C@@H]1Cl 5467478 SCRPTDDKWJMCPI-YUMQZZPRSA-N 221.753 2.999 50 50 BFGA Fc1cncc(Br)c1CCl 95725457 ADGHVVFPSJRQBB-UHFFFAOYSA-N 224.460 2.722 50 50 BFGA in-vitro Cc1ccc(C)c(NC(=O)CBr)c1 5750536 XZPBJTDZFCNXBC-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA in-vitro CCC[C@H](Br)C(=O)C(F)(F)F 8700955 XTTILTJDSVPWAX-BYPYZUCNSA-N 233.027 2.681 50 50 BFGA FC(F)(F)c1ccc(CBr)nc1 77032010 UMXIAVUQROUXKO-UHFFFAOYSA-N 240.022 2.995 50 50 BFGA in-vitro O=C(N/N=C/c1ccc(F)cc1)c1ccccc1 130683 DQYNLPXKASWMSL-MHWRWJLKSA-N 242.253 2.590 50 50 BFGA BrC[C@H]1CC(c2ccccc2)=NO1 19088257 SQNMRBIAISMFMD-SECBINFHSA-N 240.100 2.575 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2ccccc2C)o1 1959322 FNNCFXAZALKPBW-OQLLNIDSSA-N 242.278 2.660 50 50 BFGA C/C=C1\C[C@@](C)(CC)C(C#N)(C#N)C(N)=C1C#N 19300137 RNEIFOKJVYECPL-MQSIBISMSA-N 240.310 2.523 50 50 BFGA CCCCCC(=O)N/N=C/c1ccccc1 1956837 WWCYOYUTXXFVFE-SDNWHVSQSA-N 218.300 2.717 50 50 BFGA CCC[C@H](Br)C(=O)OC(C)(C)C 34580711 HPRPAQRZFMQZLM-ZETCQYMHSA-N 237.137 2.892 50 50 BFGA O=C(CCl)N1CCC[C@H]1c1ccc(F)cc1 308919230 IHATUICEPFGKKQ-NSHDSACASA-N 241.693 2.728 50 50 BFGA CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CCl 253501249 FLUMHSYXYCELKC-AUTRQRHGSA-N 229.751 2.556 50 50 BFGA COCCCOc1ccnc(CCl)c1C 21298146 XPYNCLYLFSMFQE-UHFFFAOYSA-N 229.707 2.544 50 50 BFGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2 2160347 IWFFGJKJFPAWKT-NTEUORMPSA-N 241.290 2.645 50 50 BFGA O=C1CCCN1c1ccc(CCl)cc1 3883054 CHZGFKQNNNCJPR-UHFFFAOYSA-N 209.676 2.552 50 50 BFGA in-vitro C[C@@H]1CCN(C(=O)CCl)[C@@H]2CCCC[C@@H]12 169616645 JMSUCGPACWGZDL-OUAUKWLOSA-N 229.751 2.652 50 50 BFGA in-vitro BrCc1cccc2c1OCCCO2 2548352 QDRNTKFXSFDJCH-UHFFFAOYSA-N 243.100 2.743 50 50 BFGA Cc1cc(C)cc(NC(=O)[C@@H](C)Cl)c1 19488723 TWSQLASSNGUZTH-SECBINFHSA-N 211.692 2.869 50 50 BFGA in-vitro COC(=O)c1ccc(CBr)cc1F 74942572 VPJNOBUHVFOGIO-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA CC(C)(C)OC(=O)NN=Cc1ccccc1 254379855 LKKATZANDADGPR-UHFFFAOYSA-N 220.272 2.545 50 50 BFGA O=C(CCl)Nc1ccccc1Br 3040130 FHWXHTWOJWDSAR-UHFFFAOYSA-N 248.507 2.626 50 50 BFGA in-vitro O=C(CCCCCl)Nc1cccc(O)c1 40800116 PNHSJVIHSMYPQH-UHFFFAOYSA-N 227.691 2.740 50 50 BFGA COc1cc(F)ccc1OCCBr 575444428 DVZVQAIGFQNOHQ-UHFFFAOYSA-N 249.079 2.608 50 50 BFGA CC(C)=CCC[C@H](C)NC(=O)[C@H](F)Cl 2325820726 SOLBVYMCCIBTRE-IUCAKERBSA-N 221.703 2.772 50 50 BFGA C[C@@H](NNC(=O)OC(C)(C)C)c1ccccc1 1843367 OLRFEBCHQKZIAX-SNVBAGLBSA-N 236.315 2.777 50 50 BFGA CCOc1ccc2[nH]c(NCCCl)nc2c1 2026089 XAUGJRFHTPAKMU-UHFFFAOYSA-N 239.706 2.612 50 50 BFGA C[N@+]12CCCC[C@@H]1[C@H](CBr)CCC2 253389823 NBHQDJXHWDFYIY-DMDPSCGWSA-N 247.200 2.790 50 50 BFGA biogenic CCCCCC/C=C/C[C@H]1CC(=O)OC1=O 100126614 CIMXGTDNUHWJCZ-AEZGRPFRSA-N 224.300 2.993 50 50 BFGA N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(N)=O 160680 FOQBACWKDMSJBT-XNTDXEJSSA-N 248.285 2.746 50 50 BFGA CCCCCCCC(=O)N/N=C/c1cccnc1 2779348 GLXFAVDYEVTNBN-FOWTUZBSSA-N 247.342 2.892 50 50 BFGA N#C/C=C/c1ccc(Br)cc1 1854255 LSLREZDNFXMUJH-OWOJBTEDSA-N 208.058 2.986 50 50 BFGA O=C(N[C@@H]1CCCC[C@H]1Cl)c1ccccc1 1603140 ULDPPCLUGPGBJJ-VXGBXAGGSA-N 237.730 2.966 50 50 BFGA O[C@@H](CCl)c1ccc(C(F)(F)F)cc1 133838220 BCEOMUNHBSIMFA-QMMMGPOBSA-N 224.609 2.978 50 50 BFGA in-vitro ClCc1nc(-c2cccs2)no1 161823 YOUDLOUFERNGRO-UHFFFAOYSA-N 200.650 2.537 50 50 BFGA in-vitro Oc1nccc(C(F)(F)F)c1CCl 238709908 BTZKFDKLLOYJTK-UHFFFAOYSA-N 211.570 2.545 50 50 BFGA CC(C)(C)OC(=O)NN=C1CCCCC1 4381036 VBSQBVWEZOIWGF-UHFFFAOYSA-N 212.293 2.831 50 50 BFGA in-vitro CC[C@@H](Cl)C(=O)Nc1ccc(OC)cc1 8183808 WBMSGSBWCBXINB-SNVBAGLBSA-N 227.691 2.651 50 50 BFGA in-vitro CC(C)(CCl)C(=O)Nc1ccc(C#N)cc1 3104474 NRWKXDZNPMTUCV-UHFFFAOYSA-N 236.702 2.762 50 50 BFGA Cc1cccc(-c2nnc(CCl)o2)c1 1426303 IBMPKWVAMRQBJJ-UHFFFAOYSA-N 208.648 2.784 50 50 BFGA in-vitro BrCc1ccc2nccnc2c1 36220529 DMLZDWGHHYSKGY-UHFFFAOYSA-N 223.073 2.525 50 50 BFGA CCN(CC)c1ccc(/C=C/C=O)cc1 1655651 JXXOTBSUZDDHLT-AATRIKPKSA-N 203.285 2.745 50 50 BFGA in-vitro O=C1OC(=O)c2cc(-c3ccccc3)ccc21 98022970 YTRAFABYXOZRDF-UHFFFAOYSA-N 224.215 2.664 50 50 BFGA in-vitro O=[N+]([O-])c1cc(CCl)cc(F)c1F 263624190 OETQAJLPAOECFD-UHFFFAOYSA-N 207.563 2.612 50 50 BFGA CCOC(=O)c1ccc(CBr)cc1 559407 TWQLMAJROCNXEA-UHFFFAOYSA-N 243.100 2.758 50 50 BFGA ClC[C@H](Cl)CCBr 100013370 KAXNIHBUEOVSFF-SCSAIBSYSA-N 205.910 2.618 50 50 BFGA in-vitro CC(C)(C)c1ccc(S(=O)(=O)S)cc1 16157405 WELIFDWECAGKMG-UHFFFAOYSA-N 230.354 2.603 50 50 BFGA CC(C)NC(=O)c1cccc(CCl)c1 34975413 NFFFGDIGNJYQMG-UHFFFAOYSA-N 211.692 2.564 50 50 BFGA COc1c(F)ccc(CBr)c1F 2527859 DXDNJSHUSXGESC-UHFFFAOYSA-N 237.043 2.868 50 50 BFGA Fc1cc(F)c(F)c(CBr)c1 2575069 QPMAEHBAXJSICW-UHFFFAOYSA-N 225.007 2.999 50 50 BFGA in-vitro N#CSCCOc1ccccc1Cl 27312680 YZMAXPYLEUUNCK-UHFFFAOYSA-N 213.689 2.933 50 50 BFGA COC(=O)c1c(N=C=S)sc2c1CCC2 6735027 MLQNTNQQEVSUPE-UHFFFAOYSA-N 239.321 2.758 50 50 BFGA O=C(c1ccccc1)N1CCC[C@H]1CCl 19783419 RKPGLCOGWPVEHD-NSHDSACASA-N 223.703 2.530 50 50 BFGA CSc1ccc(C(=O)CBr)cc1 2243497 YSSYIJBAPDTSAY-UHFFFAOYSA-N 245.141 2.986 50 50 BFGA CCc1cc(Br)ccc1N=C=O 2526512 FLIAQDYICDWTPW-UHFFFAOYSA-N 226.073 2.979 50 50 BFGA C[C@@H](Cl)OC(=O)OCc1ccccc1 34072530 ZRWKDMLCIQLGSK-QMMMGPOBSA-N 214.648 2.925 50 50 BFGA CCOC(=O)/C(C#N)=C/c1ccccc1Cl 166023 AZFSDKAHBOTEAG-JXMROGBWSA-N 235.670 2.810 50 50 BFGA ClCC(CCl)(CCl)CCl 1598573 KPZGRMZPZLOPBS-UHFFFAOYSA-N 209.931 2.928 50 50 BFGA in-vitro N#CSCC(=O)c1cccc(Cl)c1 8730087 ZOCDIEMMAGMGIK-UHFFFAOYSA-N 211.673 2.737 50 50 BFGA in-vitro O=C(CCl)Nc1cccc(Cl)c1F 13323553 LKTLTXBTNBZOMZ-UHFFFAOYSA-N 222.046 2.656 50 50 BFGA O[C@H](CCl)Sc1ccc(Cl)cc1 198792300 CQZCUBFKFVAOOW-QMMMGPOBSA-N 223.124 2.989 50 50 BFGA CC(=O)Oc1ccc2ccccc2c1/C=C/C=O 2024661 HRIBAEXLHQETTL-QPJJXVBHSA-N 240.258 2.977 50 50 BFGA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Cl 3252742 MWBDSENKANTBMF-ZCFIWIBFSA-N 248.109 2.914 50 50 BFGA Cc1ccc2nc(CBr)[nH]c2c1 238534461 HDNDNEGHMUVZEM-UHFFFAOYSA-N 225.089 2.766 50 50 BFGA in-vitro O=C=Nc1ccc(OC(F)(F)F)cc1 164525 LGPKFIGMLPDYEA-UHFFFAOYSA-N 203.119 2.553 50 50 BFGA CC(C)(CBr)C(F)(F)F 95147700 OMAWMXSFDUBZGY-UHFFFAOYSA-N 205.017 2.970 50 50 BFGA O=C(CCl)Oc1ccc(Br)cc1 1586467 IIGDPPSONJMDRQ-UHFFFAOYSA-N 249.491 2.593 50 50 BFGA Cc1ccc(N=C=O)c(Br)c1 2509909 HUSGEXYNVCQXKA-UHFFFAOYSA-N 212.046 2.725 50 50 BFGA N#C/C=C(\N)c1ccc(C(F)(F)F)cc1 4024343 YKHUYEGEZRFKOV-UITAMQMPSA-N 212.174 2.529 50 50 BFGA in-vitro Cc1cc(C#N)ccc1CBr 95883875 AFWUDADEHIHOQA-UHFFFAOYSA-N 210.074 2.762 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)C1 169837355 DAPZSGCXUJECAI-JTQLQIEISA-N 212.365 2.906 50 50 BFGA C[Si](C)(C)OC1=CCC2(CC1)OCCO2 198030397 LMKFXRFHCLJKEH-UHFFFAOYSA-N 228.364 2.649 50 50 BFGA Cc1ccc(O[C@H](C)C(=O)Cl)c(C)c1 33433244 OSHSCMUTODLMKA-SECBINFHSA-N 212.676 2.836 50 50 BFGA CCc1ccc(NC(=O)CBr)cc1 41714193 RBWVVWCUHCHNPD-UHFFFAOYSA-N 242.116 2.582 50 50 BFGA C[C@H]1[C@H](C)[C@@H](CI)[C@@H]1C 101131703 GSQVEQYKJKWYEX-ODANAHCNSA-N 238.112 2.960 50 50 BFGA C[C@@H]1CCC/C(=N/NC(=O)[C@H]2CC23CCC3)C1 4950168 PZZJZMXFOSWBFN-CMFGSYAISA-N 234.343 2.859 50 50 BFGA CC1(C)OB([C@H](Cl)CCC#N)OC1(C)C 1857786001 IILSKAVBMPAGON-MRVPVSSYSA-N 229.516 2.529 50 50 BFGA CC(C)(CCl)C(=O)Nc1ccccc1 3883322 GRKXHRAZNFTCCO-UHFFFAOYSA-N 211.692 2.890 50 50 BFGA in-vitro F/C(=C\C(F)(F)F)CBr 63148556 TXJJRDSVRUTQFT-IWQZZHSRSA-N 206.964 2.797 50 50 BFGA in-vitro Cc1ccccc1OC(C)(C)C(=O)Cl 33433259 IQHHUQBNBUCYGN-UHFFFAOYSA-N 212.676 2.918 50 50 BFGA in-vitro O=C(/C=C/c1ccccc1)NNc1ccccc1 3845671 WVWFLLNPEVKLAJ-VAWYXSNFSA-N 238.290 2.843 50 50 BFGA COCP(=O)(c1ccccc1)c1ccccc1 200810 OEPKDBQOTLDTNC-UHFFFAOYSA-N 246.246 2.604 50 50 BFGA in-vitro O=C(N/N=C/c1ccc(F)cc1)C1CCCCC1 580554 ILROGJOHDWVHLF-MHWRWJLKSA-N 248.301 2.856 50 50 BFGA C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)NC(C)C)C1 170597970 NESGDJZFWLAURH-CZWGUHTPSA-N 249.358 2.982 50 50 BFGA CC(=O)N/N=C1/CCCc2cc(Cl)ccc21 1875305725 ZOUXZKLJLCGDQP-QINSGFPZSA-N 236.702 2.517 50 50 BFGA O=C(CCl)Nc1ncc(Cl)cc1Cl 3316845 JQPNCQBCKZOOSF-UHFFFAOYSA-N 239.489 2.566 50 50 BFGA CCOP(=O)(C/C(C)=C/C#N)OCC 22057393 OPUURRZDCJCVGT-RMKNXTFCSA-N 217.205 2.722 50 50 BFGA in-vitro Clc1ncccc1CBr 83428705 SAHDPMALJLPDBE-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA in-vitro Cc1cccc2sc(NC(=O)CCl)nc12 253349 FHLMDKGZDZIWKZ-UHFFFAOYSA-N 240.715 2.782 50 50 BFGA O=C(N/N=C/c1cccs1)c1cccc(F)c1 298697 SFFDBDJYJVXBBW-RIYZIHGNSA-N 248.282 2.651 50 50 BFGA O=C(N/N=C/c1cccs1)c1ccccc1 2859838 CSNLKZXFSZSMCJ-UKTHLTGXSA-N 230.292 2.512 50 50 BFGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC1 12343092 XXFCTZAFEIRUJB-OACWRPJVSA-N 242.322 2.692 50 50 BFGA O=C/C(Br)=C/c1ccccc1 900 WQRWNOKNRHCLHV-TWGQIWQCSA-N 211.058 2.621 50 50 BFGA in-vitro C[C@H](Br)C(=O)Nc1ccccc1F 152354 HZFXBIFZXDJEIC-LURJTMIESA-N 246.079 2.548 50 50 BFGA C[C@H](Cl)OC(=O)OCc1ccccc1 34072529 ZRWKDMLCIQLGSK-MRVPVSSYSA-N 214.648 2.925 50 50 BFGA CC(C)=C1[C@H]2CCC[C@@]1(C)CC/C2=N\NC(N)=O 102318414 QLKTZKLGLHYCTD-XZJSRCNBSA-N 249.358 2.947 50 50 BFGA CC1CCC(=NNC(=O)c2ccc(O)cc2)CC1 4366003 BGNBOYNEBPKIHR-UHFFFAOYSA-N 246.310 2.688 50 50 BFGA Fc1ccc(CCBr)cc1F 55237715 XCKJCCCKEWTUIV-UHFFFAOYSA-N 221.044 2.902 50 50 BFGA in-vitro CCO[Si](CCCN=[N+]=[N-])(OCC)OCC 196508981 DHFNCWQATZVOGB-UHFFFAOYSA-N 247.371 2.735 50 50 BFGA O=CC1=Cc2cc(Cl)cc(Cl)c2OC1 2599362 HKPROOTVXQRMFV-UHFFFAOYSA-N 229.062 2.968 50 50 BFGA in-vitro O=C(Cl)COc1ccc(F)c(Cl)c1 13609113 KVZHBLKETNAFKU-UHFFFAOYSA-N 223.030 2.623 50 50 BFGA in-vitro Clc1cc(CBr)ccn1 39348614 JNWWUDOYVBWQJP-UHFFFAOYSA-N 206.470 2.630 50 50 BFGA in-vitro ClC[C@H]1CCN(C2CCCCC2)C1 129856328 BVACPPFRUBKIPK-SNVBAGLBSA-N 201.741 2.880 50 50 BFGA in-vitro O=C1OC(=O)c2ccc(Cl)c3cccc1c23 8453722 UJEUBSWHCGDJQU-UHFFFAOYSA-N 232.622 2.804 50 50 BFGA in-vitro CN(C)/C=C(\C#N)c1ccc(Cl)cc1 168501 XWVICHJROMBTEV-CSKARUKUSA-N 206.676 2.766 50 50 BFGA in-vitro N#CC(C#N)=Cc1ccc(Cl)c([N+](=O)[O-])c1 96129 JRODTAYHOOTVGS-UHFFFAOYSA-N 233.614 2.679 50 50 BFGA N#CC(=C1C=CC(=NO)C=C1)c1ccccc1 4335597 CEQPEKHLBZNDQM-UHFFFAOYSA-N 222.247 2.920 50 50 BFGA in-vitro CCOC(=O)c1cc(CCl)c(C)o1 85392154 MWPBLOXDMFJBHD-UHFFFAOYSA-N 202.637 2.504 50 50 BFGA Cc1cccc(NC(=O)[C@H](C)Br)c1 9262845 JWZPPAQMKDCYJG-QMMMGPOBSA-N 242.116 2.717 50 50 BFGA Cc1ccc(NC(=O)CBr)c(C)c1 9877305 BVWPKNUTPOHFIR-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA C[Si](C)(C)O[C@@H](C#N)c1ccc(C#N)cc1 169925860 XPXHTAMAYYQTPB-LBPRGKRZSA-N 230.343 2.974 50 50 BFGA in-vitro ClCCc1nc2cc(Cl)ccc2[nH]1 12375119 UOJBPUXYGTUGHS-UHFFFAOYSA-N 215.083 2.998 50 50 BFGA in-vitro C/C(=N\NC(=O)c1ccccc1)c1ccccc1 4616417 HAUVWRQIVOPGOE-FOWTUZBSSA-N 238.290 2.841 50 50 BFGA C/C(=N\NC(=O)c1ccoc1C)c1ccccc1 12341713 XXDOALYLCLZHBY-XNTDXEJSSA-N 242.278 2.742 50 50 BFGA O=C(CBr)CCc1ccccc1 39253514 APAZZDBYJISGLX-UHFFFAOYSA-N 227.101 2.583 50 50 BFGA in-vitro CCN(C(=O)CCl)c1ccc(Cl)cc1 71774039 CGSLDHGTQLGRMD-UHFFFAOYSA-N 232.110 2.932 50 50 BFGA Cc1c(Cl)cccc1NC(=O)CCl 63637 QJZOMYDYUYMZGL-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro C[C@@H](Br)c1nc(C(F)(F)F)no1 66324317 XVZLXGWSJWBPRB-UWTATZPHSA-N 244.998 2.544 50 50 BFGA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCl)C2 100098239 PYXCVNYPFHGKLE-SBMIAAHKSA-N 229.751 2.556 50 50 BFGA COc1cc(C=O)ccc1OCCCCl 2163888 SPGULLHQDRWGDU-UHFFFAOYSA-N 228.675 2.515 50 50 BFGA in-vitro ClC[C@H]1CN(Cc2ccccc2)CCCO1 38764942 WMNCXGQXIYXQLC-ZDUSSCGKSA-N 239.746 2.516 50 50 BFGA in-vitro [C-]#[N+][C@@H](C(C)C)S(=O)(=O)c1ccc(C)cc1 100019601 WOCSEJYLWXXSCQ-GFCCVEGCSA-N 237.324 2.670 50 50 BFGA in-vitro ClCc1cc(Cl)cc2c1OCOC2 4277444 VEWSVLVKOXZHGM-UHFFFAOYSA-N 219.067 2.945 50 50 BFGA in-vitro Cc1cc(C)cc(O[C@H](C)C(=O)Cl)c1 33433234 WWZGLCRQEQDIOF-SECBINFHSA-N 212.676 2.836 50 50 BFGA CCCCCCCCCc1ccc(B(O)O)cc1 169747018 VONVJOGSLHAKOX-UHFFFAOYSA-N 248.175 2.660 50 50 BFGA in-vivo CCOC(=O)/C(O)=C(\C#N)c1ccc(C)cc1C 102312861 GNZJUAQMGJFYBK-SEYXRHQNSA-N 245.278 2.659 50 50 BFGA Cc1nc(C)c([C@H](C)N(C)C(=O)CCl)s1 1319922208 ZEIKPDLOZCSAHX-ZETCQYMHSA-N 246.763 2.518 50 50 BFGA COc1ccc(OC(C)(C)C(=O)Cl)cc1 33433964 LOELRKBKJAKQRX-UHFFFAOYSA-N 228.675 2.618 50 50 BFGA CC(C)(C)OC(=O)N1CCC[C@H](CCl)C1 52507856 NLZPZOOLPLVGHZ-SECBINFHSA-N 233.739 2.872 50 50 BFGA O=C(OCCCCCl)c1ccccc1 1708775 XFFQVVCNZAYQSJ-UHFFFAOYSA-N 212.676 2.862 50 50 BFGA in-vitro Cc1noc(C)c1CCCBr 238527165 PSZCBAKOESJAAY-UHFFFAOYSA-N 218.094 2.619 50 50 BFGA Cc1nc(C)c([C@@H](C)N(C)C(=O)CCl)s1 1319922207 ZEIKPDLOZCSAHX-SSDOTTSWSA-N 246.763 2.518 50 50 BFGA O=C1C[C@H](Br)c2ccccc21 15021459 BSAIUCUXHVGXNK-QMMMGPOBSA-N 211.058 2.709 50 50 BFGA in-vitro CC(=O)NN(CCC(C)C)c1ccccc1 71773016 IISQMAMVTFJYOA-UHFFFAOYSA-N 220.316 2.590 50 50 BFGA CSc1ccc(C=C(C#N)C#N)cc1 100467 FHUZHCIAFDTIIK-UHFFFAOYSA-N 200.266 2.839 50 50 BFGA Cc1ccc(CCC(=O)NNc2ccccc2)o1 50810 CZWFISNXJZGAPS-UHFFFAOYSA-N 244.294 2.664 50 50 BFGA CSC(=O)N[C@H]1CCCC[C@@H]1Cl 5515287 RVLOZZJUARUJMI-BQBZGAKWSA-N 207.726 2.609 50 50 BFGA CC(C)=CCC[C@@H](C)NC(=O)[C@@H](F)Cl 2325820727 SOLBVYMCCIBTRE-RKDXNWHRSA-N 221.703 2.772 50 50 BFGA ICc1ccccc1 2034361 XJTQJERLRPWUGL-UHFFFAOYSA-N 218.037 2.622 50 50 BFGA CCOc1cc(OCC)cc(C(=O)Cl)c1 2578563 JHDNGEJBXLHONS-UHFFFAOYSA-N 228.675 2.863 50 50 BFGA COc1ccc(/C=C/C(C)=C/C=O)cc1 5008772 SAGKLPPTOAIAKI-QRSDNQECSA-N 202.253 2.854 50 50 BFGA CCOC(=O)[C@@H](Br)c1ccccc1 1670939 BKTKLDMYHTUESO-VIFPVBQESA-N 243.100 2.686 50 50 BFGA in-vitro CC[C@@H](Br)C(=O)Oc1ccccc1 2047936 ZPHQCPYPVCGUJF-SECBINFHSA-N 243.100 2.766 50 50 BFGA C[C@H](Cl)C(=O)Nc1nc2ccccc2s1 2638059 PGMYTKVYVIGKNK-LURJTMIESA-N 240.715 2.862 50 50 BFGA Oc1ccc(OCCCBr)cc1 43465057 CNPIVEYAEOWQKB-UHFFFAOYSA-N 231.089 2.556 50 50 BFGA CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br 155265 NJQADTYRAYFBJN-NYNCVSEMSA-N 231.133 2.775 50 50 BFGA in-vitro CCOc1ccc2oc(=O)cc(CCl)c2c1 12412275 QYPQQESJVUOZBT-UHFFFAOYSA-N 238.670 2.931 50 50 BFGA O=C(CBr)Nc1cccc(Cl)c1 3074114 JUHGYNTUFGSUQV-UHFFFAOYSA-N 248.507 2.673 50 50 BFGA Cc1ccc(OC(C)(C)C(=O)Cl)cc1 33433258 NNHUHOBNVSNTGT-UHFFFAOYSA-N 212.676 2.918 50 50 BFGA in-vitro O=C(Cl)CC(=O)Cc1cccc(Cl)c1 263623727 KDKHKGLMMSVUOG-UHFFFAOYSA-N 231.078 2.607 50 50 BFGA N#CSCC(=O)C12CC3CC(CC(C3)C1)C2 2030575 OKQNTQZCMNRWEL-UHFFFAOYSA-N 235.352 2.986 50 50 BFGA BrCc1cccc(-c2cc[nH]n2)c1 725272475 GQHMLUCGVIBIQG-UHFFFAOYSA-N 237.100 2.972 50 50 BFGA O=C(NN=C1CCCCC1)c1ccccc1 231897 RILGFUQQECFFRW-UHFFFAOYSA-N 216.284 2.737 50 50 BFGA in-vitro CC[C@@H](Br)C(=O)N1CCCC[C@@H]1C 14807078 MDQDUJLBYGNQJO-DTWKUNHWSA-N 248.164 2.561 50 50 BFGA ClCc1nc(C2CCCCC2)no1 19274934 DNFZHBNBPDPDNZ-UHFFFAOYSA-N 200.669 2.856 50 50 BFGA C/C=C/C(=N\NC(N)=O)[C@@H]1C(C)=CCCC1(C)C 4991350 FXRBTMWEVBDBJW-JJZXIBDVSA-N 249.358 2.969 50 50 BFGA CC(C)c1cc(N=C=O)n(-c2ccccc2)n1 71792218 YQFNSPDMGFMWEI-UHFFFAOYSA-N 227.267 2.963 50 50 BFGA Cc1c(O)ccc2c(CCl)cc(=O)oc12 542950 JVVZWJIRFMWXCT-UHFFFAOYSA-N 224.643 2.546 50 50 BFGA biogenic,in-vitro Cc1cccc(C(=O)[C@@H](C)Br)c1 85210250 QGGNDYQVUDZPJB-MRVPVSSYSA-N 227.101 2.961 50 50 BFGA in-vitro Cc1cccc2nc(CBr)cn12 4032121 RFFDTLBTDYIVAL-UHFFFAOYSA-N 225.089 2.538 50 50 BFGA in-vitro CCC[C@@H](Br)C(=O)C(F)(F)F 8700956 XTTILTJDSVPWAX-SCSAIBSYSA-N 233.027 2.681 50 50 BFGA BrCCOc1ccc2c(c1)CCC2 9245982 BOGDZQBNXLDUMW-UHFFFAOYSA-N 241.128 2.949 50 50 BFGA COc1ccccc1CCBr 12953911 UIIJKBSUGZNVQN-UHFFFAOYSA-N 215.090 2.633 50 50 BFGA C[C@H](Br)[C@H](C)Br 1586664 BXXWFOGWXLJPPA-IMJSIDKUSA-N 215.916 2.553 50 50 BFGA CC(C)(C)c1ccc2c(C(=O)NN)csc2c1 5904654 WCCGEJGQEJPCFI-UHFFFAOYSA-N 248.351 2.802 50 50 BFGA COCCN1CC[C@H](Cl)[C@@H]2CCCC[C@H]21 230041510 JWQQYHIMQKCYSK-SDDRHHMPSA-N 231.767 2.505 50 50 BFGA O=C(O)C[C@@H](N=C=S)C1CCCCC1 757188211 MQHLEKVIEXPLJV-SECBINFHSA-N 213.302 2.513 50 50 BFGA Cn1cc(C=C(C#N)C#N)c2ccccc21 49124 ZVHTWMGONKMROW-UHFFFAOYSA-N 207.236 2.609 50 50 BFGA in-vitro ClCc1nc(-c2cccnc2Cl)no1 97756679 QEKGZNVVDRVIOF-UHFFFAOYSA-N 230.054 2.524 50 50 BFGA CC[C@H](Cl)C(=O)Nc1ccc(C)cc1 15423333 SRKVFEGDMXEMQK-JTQLQIEISA-N 211.692 2.951 50 50 BFGA in-vitro FC(F)(F)C1(CBr)CC1 98214279 IDLJEJIHDBHTEO-UHFFFAOYSA-N 203.001 2.724 50 50 BFGA in-vitro Cc1ccc(C(=O)CBr)c(C)c1 2566208 GSCCVWPVPFIRJP-UHFFFAOYSA-N 227.101 2.881 50 50 BFGA in-vitro O=C1Nc2cc(Cl)ccc2O[C@H]1CCCl 8782181 SHRBFRKMIRXEQN-VIFPVBQESA-N 246.093 2.668 50 50 BFGA FC(F)(F)c1ncccc1CBr 114695454 YPBVPJBVLWXKLN-UHFFFAOYSA-N 240.022 2.995 50 50 BFGA COc1c(C)cccc1CBr 149597554 DMQMITNJIJERTM-UHFFFAOYSA-N 215.090 2.899 50 50 BFGA CC1=C(C#N)CCC(=O)N1Cc1ccc(C)cc1 168699 AWCIGKDESOWGDY-UHFFFAOYSA-N 240.306 2.915 50 50 BFGA C/C=C/C(=N\NC(N)=O)[C@H]1C(C)=CCCC1(C)C 4991352 FXRBTMWEVBDBJW-ZXNBQDDHSA-N 249.358 2.969 50 50 BFGA C[C@H](Cl)C(=O)Nc1ccccc1Cl 9428895 DFYYFDYUOVGYGP-LURJTMIESA-N 218.083 2.906 50 50 BFGA in-vitro CC(C)NC(=O)c1ccc(CCl)cc1 33607333 RPFIHLIZZKXZAY-UHFFFAOYSA-N 211.692 2.564 50 50 BFGA in-vitro Cc1ccccc1C(=O)[C@H](C)Br 139463508 DAHLZPWQZMVBHH-QMMMGPOBSA-N 227.101 2.961 50 50 BFGA CC(C)OB(OC(C)C)C(Cl)Cl 170156375 XHOSKSMGPJTTSE-UHFFFAOYSA-N 212.913 2.668 50 50 BFGA CCN(CC)C(=O)c1ccc(CCl)cc1 33823940 KZBDMXFIDCWCOU-UHFFFAOYSA-N 225.719 2.907 50 50 BFGA in-vitro CCOC(=O)C(C#N)=C1CCCCCC1 159830 XMMYBDCCASIJST-UHFFFAOYSA-N 207.273 2.724 50 50 BFGA Fc1cc(F)cc(CBr)c1 164760 KVSVNRFSKRFPIL-UHFFFAOYSA-N 207.017 2.860 50 50 BFGA in-vitro C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C1CC1 12343091 XXFCTZAFEIRUJB-RSCROXIHSA-N 242.322 2.692 50 50 BFGA O=C1c2ccccc2[C@]2(OO)[C@H]3CC[C@@H](C3)[C@H]12 257359324 ZPECVIAPXCOQKT-ONVGCPIPSA-N 230.263 2.614 50 50 BFGA O=C(CBr)C1CCCCC1 12480139 ADLIDZNESKOPIP-UHFFFAOYSA-N 205.095 2.531 50 50 BFGA in-vitro CCC(CC)C(=O)OC(=O)C(CC)CC 59796747 YCURDTPXHPXCKH-UHFFFAOYSA-N 214.305 2.929 50 50 BFGA C[C@H](Cl)C(=O)Nc1ccc(Cl)cc1 3278111 LARDKNUATHUMFI-LURJTMIESA-N 218.083 2.906 50 50 BFGA in-vitro O=C(Cl)Cc1ccc(Cl)cc1F 71791955 SAXZZYSDIRHSPS-UHFFFAOYSA-N 207.031 2.787 50 50 BFGA C[Si](C)(C)C#CCCBr 195801349 PIYRONUSKGWEHK-UHFFFAOYSA-N 205.171 2.652 50 50 BFGA O=C(N/N=C/c1cccc(Cl)c1)c1ccco1 227732 MBAWSJRIOFSHHD-RIYZIHGNSA-N 248.669 2.697 50 50 BFGA CCCCCCCCCCC(=O)NN 2390807 IICGGSZGDFYYBR-UHFFFAOYSA-N 200.326 2.507 50 50 BFGA O=C(Cl)c1ccc(Br)cc1F 2524887 PCFIABOQFAFDAU-UHFFFAOYSA-N 237.455 2.967 50 50 BFGA in-vitro O=C1c2ccccc2[C@@]2(OO)[C@H]3C=C[C@@H](CC3)[C@@H]12 104295806 QLYUKMAHQNAWQL-MJVIGCOGSA-N 242.274 2.780 50 50 BFGA CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1 4714625 CZUWAJXZAOSTFH-XNTDXEJSSA-N 232.327 2.844 50 50 BFGA C[C@H]1CC(=O)Nc2ccc(C(=O)CCl)cc21 34448778 MEQNDIBPLZUSEM-ZETCQYMHSA-N 237.686 2.554 50 50 BFGA Cc1cccc(/C=C2/C(=O)ON=C2CCl)c1 34926729 RZTKBSNJTMBFQS-UXBLZVDNSA-N 235.670 2.530 50 50 BFGA COC(=O)c1ccc(F)cc1CBr 95080537 DAYFMDZWYCRYEJ-UHFFFAOYSA-N 247.063 2.507 50 50 BFGA O=C=Nc1c(F)cc(Br)cc1F 2389297 LSGXEWZVHIBWPQ-UHFFFAOYSA-N 233.999 2.695 50 50 BFGA CC/C=C/C[C@]1(C)OC[C@@H](CCl)O1 22205445 BUOBUCPJOJMEHJ-NUNSBDKSSA-N 204.697 2.713 50 50 BFGA COc1ccc(CCBr)cc1OC 12953905 LTAGXVMHLFYRNK-UHFFFAOYSA-N 245.116 2.641 50 50 BFGA CC[C@@H](Br)C(=O)N1CCCCCC1 32919672 KUJYQJQCLSTBCS-SECBINFHSA-N 248.164 2.563 50 50 BFGA in-vitro CCCOc1c(OC)cccc1C(=O)Cl 33433970 XKRVQELXTBLABV-UHFFFAOYSA-N 228.675 2.863 50 50 BFGA CC[C@H](N)CO[Si](C)(C)C(C)(C)C 196148152 ZHCJQVABVSLUJB-VIFPVBQESA-N 203.402 2.746 50 50 BFGA in-vitro CCC(CC)CCCNC(=O)CCl 12418815 UXPLHQSHCSNHIE-UHFFFAOYSA-N 205.729 2.558 50 50 BFGA C[C@H](Br)C(=O)c1ccc(F)cc1 19843050 QKHHCXOSPQAQQI-LURJTMIESA-N 231.064 2.792 50 50 BFGA in-vitro O=C(O)CCCCCCCN=C=S 757186988 HKEPWFVMVYANMP-UHFFFAOYSA-N 201.291 2.514 50 50 BFGA O=C/C=C/c1ccc(C(F)(F)F)cc1 21299280 HYCDCKWWJCPUNT-OWOJBTEDSA-N 200.159 2.918 50 50 BFGA CCOC(=O)c1cccc(N=C=S)c1 2528090 MCHONYMFRSKTLR-UHFFFAOYSA-N 207.254 2.598 50 50 BFGA in-vitro O=C1c2ccccc2CC[C@H]1Br 5700588 AYNCWMIFKFADCZ-SECBINFHSA-N 225.085 2.579 50 50 BFGA CC(C)(C)[Si](C)(C)OCCCC=O 170018557 DOHGFFVYNCRCEV-UHFFFAOYSA-N 202.370 2.987 50 50 BFGA in-vitro CC(=O)/C(C#N)=C/c1ccc(Br)o1 2546551 SACJUFDNRKKMQT-QPJJXVBHSA-N 240.056 2.538 50 50 BFGA CCSC(=O)N[C@@H]1CCCC[C@@H]1Cl 5467475 SCRPTDDKWJMCPI-JGVFFNPUSA-N 221.753 2.999 50 50 BFGA Cc1nc(CBr)sc1C 84192839 VRDKDXRTGLGPBS-UHFFFAOYSA-N 206.108 2.655 50 50 BFGA in-vitro CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3(C=O)C[C@]23C)C1 4098278 PJAAESPGJOSQGZ-DZGBDDFRSA-N 232.323 2.773 50 50 BFGA biogenic,in-vitro C[C@@H](Cl)OC(=O)Oc1ccc([N+](=O)[O-])cc1 100031091 DXVQFTPXVZUWIF-LURJTMIESA-N 245.618 2.695 50 50 BFGA in-vitro C[C@@H](c1ccccc1)N1C[C@@H](CCl)OC1=O 6794794 NSKIHXKKBCDECQ-GXSJLCMTSA-N 239.702 2.807 50 50 BFGA N#CC(C#N)=Cc1ccccc1Br 97954 SMQPFDLDHFLJHV-UHFFFAOYSA-N 233.068 2.880 50 50 BFGA CCCCOC(=O)c1ccc(N=C=O)cc1 2384720 PVCGQSQNUXNTNA-UHFFFAOYSA-N 219.240 2.611 50 50 BFGA O=C(CBr)c1cc(F)cc(F)c1 2243168 CJEGSZFRYLCTLK-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA in-vitro O=C(CCl)Nc1ccccc1Cl 122742 OPZKPLRTPWUXRN-UHFFFAOYSA-N 204.056 2.517 50 50 BFGA in-vitro C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Cl 3316820 SJHLFEZNQZDFMP-DTWKUNHWSA-N 223.703 2.592 50 50 BFGA in-vitro Cc1cc(F)c(CBr)cc1[N+](=O)[O-] 306910913 JQPYTKHUFDLKBT-UHFFFAOYSA-N 248.051 2.937 50 50 BFGA O=c1cc(CCl)c2cc(Cl)c(O)cc2o1 544212 UPZNLSFVNVBNBT-UHFFFAOYSA-N 245.061 2.891 50 50 BFGA biogenic O=Cc1ccc(N(CCCl)CCCl)cc1 1570864 PXUFHXLGUJLBMI-UHFFFAOYSA-N 246.137 2.783 50 50 BFGA in-vitro Cc1ccc2c(CCl)cc(=O)oc2c1 489593 FFFLTPZFXWCHCT-UHFFFAOYSA-N 208.644 2.840 50 50 BFGA biogenic,in-vitro O=C(CCl)Nc1ccccc1C(F)(F)F 166748 GCSXEMRXTRHXIS-UHFFFAOYSA-N 237.608 2.883 50 50 BFGA biogenic COC(=O)N/N=C/c1cccc2ccccc12 298976 WCQQCTRXVCIHNF-NTEUORMPSA-N 228.251 2.530 50 50 BFGA O=[N+]([O-])c1cccc(CCBr)c1 32190490 JZBRVWQGWOLPAT-UHFFFAOYSA-N 230.061 2.532 50 50 BFGA CCCCCC(=O)N/N=C(\C)c1ccc(O)cc1 4992134 LWRYHGRSPQDTET-RVDMUPIBSA-N 248.326 2.813 50 50 BFGA O=C(Cl)COc1ccc(Br)cc1 6221790 WGNGWDLGDORSKX-UHFFFAOYSA-N 249.491 2.593 50 50 BFGA C[C@@H](Br)[C@@H](C)Br 1586663 BXXWFOGWXLJPPA-QWWZWVQMSA-N 215.916 2.553 50 50 BFGA O=C(CCBr)OCc1ccccc1 1621119 QJKVDFRAKMVERC-UHFFFAOYSA-N 243.100 2.515 50 50 BFGA COc1ccc(CCBr)cc1 1748857 OXHPTABOQVHKLN-UHFFFAOYSA-N 215.090 2.633 50 50 BFGA in-vitro CC[C@H](Br)C(=O)Nc1ccccc1 4739120 LPYHYCASMUNJLQ-VIFPVBQESA-N 242.116 2.799 50 50 BFGA ClCc1n[nH]c2ccc(Cl)cc12 34215883 USFRWHBPXGUKFJ-UHFFFAOYSA-N 201.056 2.955 50 50 BFGA BrCCc1nc2ccccc2[nH]1 21299249 UVKUFRWLIJUYHS-UHFFFAOYSA-N 225.089 2.500 50 50 BFGA Cc1cc(C)cc(NC(=O)CBr)c1 5749776 TXCXOCFROXZADI-UHFFFAOYSA-N 242.116 2.637 50 50 BFGA biogenic Cn1cccc1/C=C(/C#N)c1nc2ccccc2[nH]1 4541062 NXLREHOYROHQEF-LUAWRHEFSA-N 248.289 2.966 50 50 BFGA Cc1ccccc1N1C[C@@H](CCl)OC1=O 333998 MCTAKNRODSQEPA-SECBINFHSA-N 225.675 2.559 50 50 BFGA C[Si](CCl)(c1ccccc1)c1ccccc1 169818462 SSQOSTRUDOUBJZ-UHFFFAOYSA-N 246.813 2.657 50 50 BFGA CC(C)Oc1ccccc1NC(=O)CCl 122156 GCNFIJHPEXCZRF-UHFFFAOYSA-N 227.691 2.651 50 50 BFGA COC(=O)N/N=C/c1ccc(Cl)cc1Cl 491909 DSMXIGPLIIYFNC-LFYBBSHMSA-N 247.081 2.683 50 50 BFGA Cc1cc(C)c(C#N)c(SCSC#N)n1 5336989 CMZMSAKXPOIWFD-UHFFFAOYSA-N 235.337 2.834 50 50 BFGA CC(C)CCC[C@@H](C)NC(=O)CCl 2159852 AHRHYMHJGCHFNB-SECBINFHSA-N 205.729 2.556 50 50 BFGA in-vitro Cc1ccccc1C(=O)NNc1ccccc1 70716940 BTFFJKLDMGLVFY-UHFFFAOYSA-N 226.279 2.752 50 50 BFGA C[Si](C)(C)OP(O)O[Si](C)(C)C 170158782 TVYLOQJEHUAACN-UHFFFAOYSA-N 226.361 2.909 50 50 BFGA CCOP(=O)(c1ccccc1)c1ccccc1 275480 QRJASDLTCXIYRK-UHFFFAOYSA-N 246.246 2.952 50 50 BFGA biogenic CN(C)/C=C(/C#N)c1ccc(-n2cccc2)cc1 1390705 YQWIBMUHHRKKOI-OWBHPGMISA-N 237.306 2.903 50 50 BFGA Fc1ccccc1-c1noc(CCl)n1 20268766 OUTFQFIWFLMIOE-UHFFFAOYSA-N 212.611 2.615 50 50 BFGA C[Si](C)(C)OCCO[Si](C)(C)C 169743087 JGWFUSVYECJQDT-UHFFFAOYSA-N 206.434 2.689 50 50 BFGA in-vitro C[Si](C)(C)O[Si](C)(C)c1ccccc1 195752193 AMNQQNTZDFYVGH-UHFFFAOYSA-N 224.452 2.950 50 50 BFGA Cc1ccc(/C=N/NC(=O)c2cccs2)cc1 228132 GPBDMHOZKSIYPB-NTEUORMPSA-N 244.319 2.820 50 50 BFGA O=C(O)CCCCCCCBr 2504410 BKJFDZSBZWHRNH-UHFFFAOYSA-N 223.110 2.807 50 50 BFGA biogenic,in-vitro O=C(Cl)c1cnc(-c2ccccc2)nc1 12370782 ALJPJRINUUKTMA-UHFFFAOYSA-N 218.643 2.523 50 50 BFGA ClCc1noc(-c2ccsc2)n1 2155639 KHJYOJVUQYWASE-UHFFFAOYSA-N 200.650 2.537 50 50 BFGA in-vitro N#CC(NC(=O)c1ccccc1)=C(Cl)Cl 2674916 ZLTCPVWAQLYTAF-UHFFFAOYSA-N 241.077 2.587 50 50 BFGA O=C(CBr)c1ccc(F)c(F)c1 152939 BYIVWTZVICGYFS-UHFFFAOYSA-N 235.027 2.542 50 50 BFGA in-vitro O=C(CCl)Oc1ccc2ccccc2c1 1586633 DQHZHTWQJQJIKE-UHFFFAOYSA-N 220.655 2.984 50 50 BFGA [C-]#[N+]C1CCN(Cc2ccccc2)CC1 95686590 MSPAZUBEMCLWCB-UHFFFAOYSA-N 200.285 2.570 50 50 BFGA in-vitro CC(C)=CCC[C@H](C)NC(=O)[C@@H](F)Cl 2325820725 SOLBVYMCCIBTRE-DTWKUNHWSA-N 221.703 2.772 50 50 BFGA CC/C=C/C[C@@]1(C)OC[C@H](CCl)O1 22205449 BUOBUCPJOJMEHJ-AWAZDUCLSA-N 204.697 2.713 50 50 BFGA COc1ccc(F)c(CBr)c1 91304981 RVKBNYVMMMWWOA-UHFFFAOYSA-N 219.053 2.729 50 50 BFGA in-vitro O=C(N[C@H]1CCCC[C@@H]1Cl)c1ccccc1 1603141 ULDPPCLUGPGBJJ-RYUDHWBXSA-N 237.730 2.966 50 50 BFGA CSc1cccc(NC(=O)NCCCl)c1 1614803 JAQDDUFJBPBWOL-UHFFFAOYSA-N 244.747 2.769 50 50 BFGA BrCc1ccc(-n2cccn2)cc1 158882 PHNRBSHOFSWNII-UHFFFAOYSA-N 237.100 2.767 50 50 BFGA CC1(C)COC(C)(CCBr)OC1 2545376 HSWLDQSQVWEZIG-UHFFFAOYSA-N 237.137 2.561 50 50 BFGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)O 163301 KVTSTCHYBUYVBA-XVNBXDOJSA-N 242.061 2.985 50 50 BFGA CC(=O)Nc1nc2ccc(SC#N)cc2s1 327757 PMYSZBAGBQYSAY-UHFFFAOYSA-N 249.320 2.828 50 50 BFGA CCOC(=O)c1ccccc1CBr 16124776 RDEWTAHSEKSPPT-UHFFFAOYSA-N 243.100 2.758 50 50 BFGA CN(C(=O)CCl)C(C)(C)Cc1ccccc1 1841327 NDMFQZFHMQOFBT-UHFFFAOYSA-N 239.746 2.705 50 50 BFGA in-vitro O=[N+]([O-])c1ccccc1CCBr 12953901 SJLIPOVZERLCNL-UHFFFAOYSA-N 230.061 2.532 50 50 BFGA in-vitro CC(=O)Nc1ccc(C(=O)CCCCl)cc1 39392879 BVUUWWFHQIFUNM-UHFFFAOYSA-N 239.702 2.847 50 50 BFGA COc1cc(C)c(C=C(C#N)C#N)cc1C 292572 KYIXICUTBVAFSO-UHFFFAOYSA-N 212.252 2.743 50 50 BFGA C/C(C=O)=C\c1cc(Cl)cc([N+](=O)[O-])c1O 12342777 RVWZBMFOAKVGAR-QHHAFSJGSA-N 241.630 2.556 50 50 BFGA O=C(Cl)c1cnc(Cl)c(Cl)c1 2510256 NZEAAWXZOUGYCH-UHFFFAOYSA-N 210.447 2.767 50 50 BFGA in-vitro CC(C)[C@@H](Br)C(F)(F)F 71791950 ZOPGBRVDWFPISZ-SCSAIBSYSA-N 205.017 2.968 50 50 BFGA CN(C(=S)Cl)c1ccc(F)cc1 2506714 DTMFOGPAZSLXPA-UHFFFAOYSA-N 203.669 2.786 50 50 BFGA COc1cc(Cl)c(C)cc1NC(=O)CCl 3289315 KEAHQUWUYVSPDR-UHFFFAOYSA-N 248.109 2.834 50 50 BFGA FC(F)=C(F)CCI 63146278 XVDLQOLNANINDZ-UHFFFAOYSA-N 235.974 2.889 50 50 BFGA in-vitro CCc1ccc(-c2nc(CCl)cc(=O)[nH]2)cc1 109597457 NHDVFAODDBKXCL-UHFFFAOYSA-N 248.713 2.738 50 50 BFGA CC1(C)CC(O)=C/C(=N/NC(=O)c2ccco2)C1 100345128 XRFZQFLBXODWOD-ZROIWOOFSA-N 248.282 2.627 50 50 BFGA O=[N+]([O-])c1cc(CBr)ccc1F 2529908 OAMKMERAYXDUEW-UHFFFAOYSA-N 234.024 2.629 50 50 BFGA in-vitro Oc1ccc(CBr)c(Cl)c1 238714921 MOQJSDMTYUVDJE-UHFFFAOYSA-N 221.481 2.941 50 50 BFGA CCOc1ccc(/C=C/C(=O)Cl)cc1 26470346 KNFAZBCJDBLHQN-VMPITWQZSA-N 210.660 2.864 50 50 BFGA in-vitro N#CC1=C(N)CC23CC=CCC12CC=CC3 34119958 PVOBDJFICDPFLW-UHFFFAOYSA-N 212.296 2.799 50 50 BFGA CC1(C)OB(C#CCCCCl)OC1(C)C 169904189 QHWSHBYUQAXFBL-UHFFFAOYSA-N 228.528 2.640 50 50 BFGA in-vitro O=C(N/N=C/[C@H]1CC=CCC1)c1ccccc1F 4647045 YDUUWWUVHSZVIL-YAFRSCOQSA-N 246.285 2.898 50 50 BFGA N#Cc1cc(F)ccc1CBr 37594134 SROUFENEQQOQIW-UHFFFAOYSA-N 214.037 2.592 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1CCCNC1 197481902 UVNBNPBGKCEBMX-JTQLQIEISA-N 215.413 2.760 50 50 BFGA in-vitro ICCOc1ccccc1 19093668 HITDQIDBXIGRBU-UHFFFAOYSA-N 248.063 2.500 50 50 BFGA C[C@H](Oc1ccccc1Cl)C(=O)Cl 33433463 CDGDMQMBRZYOND-LURJTMIESA-N 219.067 2.873 50 50 BFGA in-vitro O[C@@H](CCl)Sc1ccc(Cl)cc1 198792316 CQZCUBFKFVAOOW-MRVPVSSYSA-N 223.124 2.989 50 50 BFGA O=C(CBr)Nc1ccccc1Cl 166537 WIOJXHICOOQVAB-UHFFFAOYSA-N 248.507 2.673 50 50 BFGA O=C(O)COc1ccc(Cl)cc1CCl 88812 YEMQCPPILNZOCE-UHFFFAOYSA-N 235.066 2.542 50 50 BFGA CCOC(=O)[C@H](Br)c1ccccc1 2043247 BKTKLDMYHTUESO-SECBINFHSA-N 243.100 2.686 50 50 BFGA in-vitro O=C(CBr)c1ccc2c(c1)CCC2 36903502 DFEHZZYGFCZAOV-UHFFFAOYSA-N 239.112 2.753 50 50 BFGA COc1cc(CBr)cc(OC)c1 1090552 BTHIGJGJAPYFSJ-UHFFFAOYSA-N 231.089 2.599 50 50 BFGA in-vitro Cc1cc(=O)oc2cc(N=C=S)ccc12 19737286 RZODWTHSAMFLEZ-UHFFFAOYSA-N 217.249 2.836 50 50 BFGA CCOC(=O)/C(C#N)=C(/C)c1ccc(C)cc1 5472247 BRGJQNURBPULRL-QBFSEMIESA-N 229.279 2.855 50 50 BFGA CC(=O)Oc1ccc(CBr)cc1 34597870 MEUWUBXEOFFOOX-UHFFFAOYSA-N 229.073 2.507 50 50 BFGA in-vitro Cc1ccc([N+](=O)[O-])cc1CBr 44137808 VAKLDLBPYFVTTA-UHFFFAOYSA-N 230.061 2.798 50 50 BFGA in-vitro CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)CO1 169835652 GLXYSXZRCSAXAS-SNVBAGLBSA-N 230.380 2.714 50 50 BFGA CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 97971804 JHDOETPMTMBQTH-UHFFFAOYSA-N 237.211 2.663 50 50 BFGA ClCc1cc(Cl)nc(C2CC2)n1 306978239 AXKCODCFFSBWQY-UHFFFAOYSA-N 203.072 2.746 50 50 BFGA Cc1ccc(NC(=O)[C@H](C)Cl)c(C)c1 12504890 NEZPQCNCNYYQMD-VIFPVBQESA-N 211.692 2.869 50 50 BFGA in-vitro Br[C@H]1CCC[C@@H]1Br 100055626 LJCGLSZQABMYGU-WHFBIAKZSA-N 227.927 2.697 50 50 BFGA CC(C)CCC[C@H](C)NC(=O)CCl 2159856 AHRHYMHJGCHFNB-VIFPVBQESA-N 205.729 2.556 50 50 BFGA in-vitro Cc1ccc(Pc2ccc(C)cc2)cc1 2381453 RRSCGNXXNRAXJC-UHFFFAOYSA-N 214.248 2.933 50 50 BFGA COc1cc(SC#N)c(Cl)cc1N 1772799730 LTZVMDJHNHXDIK-UHFFFAOYSA-N 214.677 2.504 50 50 BFGA O=C(N/N=C/c1cccs1)c1cccs1 28553 BFQKAYQRWCAVAT-YRNVUSSQSA-N 236.321 2.574 50 50 BFGA Cc1ccccc1/C=N/NC(=O)c1ccoc1C 232413 IVYXKFCDEYCVSD-OQLLNIDSSA-N 242.278 2.660 50 50 BFGA Cc1cc(NC(=O)CCl)ccc1Cl 8336208 LKFPDBUGLNXOIP-UHFFFAOYSA-N 218.083 2.826 50 50 BFGA in-vitro CCCCC/C=C/C[C@@H]1CC(=O)OC1=O 95618329 WSGFXVFLWVXTCJ-VQCYPWCPSA-N 210.273 2.603 50 50 BFGA endogenous,in-man O=C(CCl)c1c[nH]c2nccc(Cl)c12 123519982 IXWUVHYNSMHLLR-UHFFFAOYSA-N 229.066 2.638 50 50 BFGA in-vitro O=C(CCl)O[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 257357617 PBPMGYJFCCORSG-GOVZDWNOSA-N 228.719 2.593 50 50 BFGA N#CS[C@H](C#N)Cc1ccccc1Cl 97519 UFHITGKYJALCRC-VIFPVBQESA-N 222.700 2.989 50 50 BFGA CN(C)CCCOc1ccccc1CCl 12370633 DEQLOIGFHVKZOR-UHFFFAOYSA-N 227.735 2.756 50 50 BFGA O=C1OC(=O)[C@@H]2CCCCCCCCC[C@H]12 101048122 WDICIBNWVAVLLJ-PHIMTYICSA-N 224.300 2.827 50 50 BFGA CC(C)(C)[Si](C)(C)OCCOCCC=O 585661714 QWYGZEYETKHUGW-UHFFFAOYSA-N 232.396 2.614 50 50 BFGA CC(C)(C)CC(C)(C)NC=C(C#N)C#N 5187181 MIFZJHDGFWTDMR-UHFFFAOYSA-N 205.305 2.722 50 50 BFGA Fc1ccc(CCBr)cc1 2518360 FLRUNCJXOVYWDH-UHFFFAOYSA-N 203.054 2.763 50 50 BFGA in-vitro CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Br 116 NJQADTYRAYFBJN-MHYGZLNHSA-N 231.133 2.775 50 50 BFGA in-vitro O=C=Nc1ccc(Br)cc1F 2568114 LXTYHGYKFYTBGJ-UHFFFAOYSA-N 216.009 2.556 50 50 BFGA CCC(CC)=C(C#N)C(=O)NC1CCCC1 6591553 RDDYOUGMWATPOU-UHFFFAOYSA-N 220.316 2.685 50 50 BFGA CC(C)(C)[Si](C)(C)OCC1(C=O)CC1 216409052 ARFIJDLRSPOAEH-UHFFFAOYSA-N 214.381 2.987 50 50 BFGA ClCCNc1nc2cc(Cl)ccc2[nH]1 4086038 SEHNUNZZKZMYTP-UHFFFAOYSA-N 230.098 2.867 50 50 BFGA Clc1ccc2nc(CBr)cn2c1 36243535 LKKMYKKBVGWQBZ-UHFFFAOYSA-N 245.507 2.883 50 50 BFGA O=C(Cl)c1cscc1Br 12370496 RAEMKVHFZZHQSI-UHFFFAOYSA-N 225.494 2.890 50 50 BFGA O=C(Cl)c1ccsc1Br 12370563 UIKWDIMOQHGQHM-UHFFFAOYSA-N 225.494 2.890 50 50 BFGA in-vitro O=C(Cl)Cc1ccccc1Br 2387240 RFPBUXOVSZEMSW-UHFFFAOYSA-N 233.492 2.757 50 50 BFGA CCc1ccc(NC(=O)[C@@H](C)Cl)cc1 3281062 IAYXTUQFAKJQOV-MRVPVSSYSA-N 211.692 2.815 50 50 BFGA in-vitro C[C@@H](Cl)C(=O)Nc1cc(F)cc(F)c1 20206748 NKAAWRHWRIBYDQ-RXMQYKEDSA-N 219.618 2.531 50 50 BFGA C[C@H](Cl)C(=O)Nc1cc(F)cc(F)c1 20206752 NKAAWRHWRIBYDQ-YFKPBYRVSA-N 219.618 2.531 50 50 BFGA