smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc(/C=C(\C#N)c2ccccc2)cc1 407984 HYAJIHDALOHMPT-FOWTUZBSSA-N 248.329 3.817 50 50 BHGA CC[C@@H](CCCO)O[Si](C)(C)C(C)(C)C 169834871 SGHHZGYDDFYEIO-NSHDSACASA-N 232.440 3.559 50 50 BHGA CC(C)(C)c1ccc(/C=C/C(=O)Cl)cc1 26470378 IEBJAFJYVRUQCO-RMKNXTFCSA-N 222.715 3.763 50 50 BHGA in-vitro Cc1cc(F)cc(Br)c1N=C=S 15443758 WYDZOOWSOPWOPG-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Cl 33434643 BYCKTHKLECXCHD-VIFPVBQESA-N 240.730 3.517 50 50 BHGA CC1(C)COc2c(CCl)cc(Cl)cc21 118890462 HGZMJUKJAHRYCP-UHFFFAOYSA-N 231.122 3.749 50 50 BHGA in-vitro N#C/C(=C(/C#N)c1ccccc1)c1ccccc1 284526 VFBJMPNFKOMEEW-FOCLMDBBSA-N 230.270 3.645 50 50 BHGA ClCc1cc(Cl)cc(Br)c1 169726156 CWIFIXIYJJOHRJ-UHFFFAOYSA-N 239.927 3.841 50 50 BHGA CC[C@H](OCCBr)c1ccccc1 253183026 JZKNTOUBAIFTNT-NSHDSACASA-N 243.144 3.549 50 50 BHGA O=C(CCl)Nc1ccccc1-c1ccccc1 869173 BDDDKTKNLZLTQD-UHFFFAOYSA-N 245.709 3.531 50 50 BHGA in-vitro Cc1oc(-c2ccccc2F)nc1CCl 2559662 FPUOUVIUAUPHRS-UHFFFAOYSA-N 225.650 3.528 50 50 BHGA in-vitro CC[C@H](C)c1ccc(NC(=O)CCCl)cc1 5715442 LNERRDGMCUENRC-JTQLQIEISA-N 239.746 3.768 50 50 BHGA in-vitro CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Cl 39432151 IYMJEVJJIPCPRK-JTQLQIEISA-N 247.121 3.571 50 50 BHGA O=C(Cl)c1ccc(-c2ccccc2)s1 2582860 DAQWIBBCMYIUFA-UHFFFAOYSA-N 222.696 3.794 50 50 BHGA COc1ccc(OCCCCCCCl)cc1 2028801 HDJPEPGZXXYLCW-UHFFFAOYSA-N 242.746 3.873 50 50 BHGA ClC[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 71786859 JMHBQFIUGVZQSW-DTWKUNHWSA-N 235.541 3.813 50 50 BHGA Cc1c(Cl)cc(Cl)cc1C(=O)CCl 263623511 IDYQJDCEXDVVIU-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA CC(C)c1ccc(/C=C/C(=O)Cl)cc1 26470293 PNFPYYUXIKTZMV-VMPITWQZSA-N 208.688 3.589 50 50 BHGA C[Si](C)(C)O[C@H](c1ccccc1)C1(C#N)CC1 169829544 KKUUORKSWBYZHU-CYBMUJFWSA-N 245.398 3.883 50 50 BHGA O=C(Cl)c1cc(F)c(Cl)c(Cl)c1 263624414 QFMTZDQMXIZZGA-UHFFFAOYSA-N 227.449 3.512 50 50 BHGA ClCc1cccc(-c2nccs2)c1 12370216 SWICJACRAPFUKX-UHFFFAOYSA-N 209.701 3.549 50 50 BHGA in-vitro CC(C)(C)C(=O)/C(C#N)=C/C=C/c1ccccc1 2380647 UULHKJBIYMWYJB-APBFJCRLSA-N 239.318 3.765 50 50 BHGA O=C(Cl)c1ccc(Cl)c(Cl)c1F 145849596 GMDDHVSPIUHMSC-UHFFFAOYSA-N 227.449 3.512 50 50 BHGA CC(C)(C)[Si](C)(C)OCc1ccc(O)cc1 195920023 OXNXETVAZHYQFN-UHFFFAOYSA-N 238.403 3.914 50 50 BHGA in-vitro Fc1c(CCl)ccc(Cl)c1Cl 263623647 JHIAQQRGNMUHJZ-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA CC(C)(C)Oc1ccc(CBr)cc1 2527664 LRRZLPXRRBMEPN-UHFFFAOYSA-N 243.144 3.759 50 50 BHGA CC(C)(C)c1ccc(C(=O)CCCl)cc1 32014898 RWKVKFPYVTZRHS-UHFFFAOYSA-N 224.731 3.796 50 50 BHGA in-vitro ClCc1cccc(Br)c1Cl 157308142 UDTZLFKKGIRULA-UHFFFAOYSA-N 239.927 3.841 50 50 BHGA N#CC(C#N)=Cc1ccc(-c2ccccc2)cc1 134122 MGZBXPYAOHDAGU-UHFFFAOYSA-N 230.270 3.784 50 50 BHGA Cc1oc(-c2cccc(F)c2)nc1CCl 2559663 QOZYCDPIFFXHKK-UHFFFAOYSA-N 225.650 3.528 50 50 BHGA in-vitro CCCCCCCCCCCNC(=O)CCl 1649088 MYYXIJYSHJUXHU-UHFFFAOYSA-N 247.810 3.872 50 50 BHGA O=C(Cl)c1ccc(Cl)cc1C(F)(F)F 2527761 SBWSLWFNEXVAAY-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA CCCCc1ccc(NC(=O)CCCl)cc1 5707984 INOJDKOCKGZNQW-UHFFFAOYSA-N 239.746 3.597 50 50 BHGA CC(C)(C)[Si](C)(C)OCc1ccncc1 169748085 SGUQXLLGHZISLF-UHFFFAOYSA-N 223.392 3.603 50 50 BHGA in-vitro Nc1ccc(SSc2ccc(N)cc2)cc1 56827 MERLDGDYUMSLAY-UHFFFAOYSA-N 248.376 3.650 50 50 BHGA biogenic,in-vitro CCCCCCCCC[C@H](C)NC(=O)CCl 2159874 QIXXDCGVQPIAGS-LBPRGKRZSA-N 247.810 3.871 50 50 BHGA C[Si](C)(C)OC1=CCCc2ccccc21 170155622 CAUIWDWUUCGKBV-UHFFFAOYSA-N 218.372 3.825 50 50 BHGA S=C=Nc1cccc(Cl)c1Cl 164795 RQZIODPVCCTBAQ-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro S=C=Nc1cccc(OCc2ccccc2)c1 2528089 QJLFNDXMZQJMDL-UHFFFAOYSA-N 241.315 4.000 50 50 BHGA in-vitro Cc1cc(C)c(CCl)c(C)c1C=C(C#N)C#N 61830 JCHYTVMSSGVPDE-UHFFFAOYSA-N 244.725 3.781 50 50 BHGA O=C(Cl)c1ccc(-c2cccs2)cc1 2582839 WWIBCNCKODGBTI-UHFFFAOYSA-N 222.696 3.794 50 50 BHGA in-vitro CCCCC[C@H](C)CCBr 140042410 PZZBSMKSCWYJJW-VIFPVBQESA-N 207.155 3.988 50 50 BHGA CCCCCCOc1ccc(N=C=O)cc1 2526540 XQMJWYWIVNCPKB-UHFFFAOYSA-N 219.284 3.613 50 50 BHGA O=C(CCl)c1c(Cl)ccc(F)c1Cl 43674169 IPSSLHPWTRUUHY-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA in-vitro O=C(CCl)Nc1ccc(-c2ccccc2)cc1 2776316 IDXDZLUJUXGKJZ-UHFFFAOYSA-N 245.709 3.531 50 50 BHGA CCCCCCC/C(C)=C(/C#N)C(=O)OCC 100288213 XRWLTSUUNAEYDU-SEYXRHQNSA-N 237.343 3.750 50 50 BHGA S=C=Nc1ccc(Oc2ccccc2)nc1 158920 YGSFMZIJHMEICM-UHFFFAOYSA-N 228.276 3.608 50 50 BHGA CCCCCCCCC[C@@H](C)NC(=O)CCl 1649079 QIXXDCGVQPIAGS-GFCCVEGCSA-N 247.810 3.871 50 50 BHGA C[Si](C)(C)Oc1cccc(Br)c1 170173915 PJAOJOJIEFORFP-UHFFFAOYSA-N 245.192 3.663 50 50 BHGA ClCc1cc(-c2ccc(Cl)cc2)no1 169504 NSPBTJFAUPZOHK-UHFFFAOYSA-N 228.078 3.734 50 50 BHGA in-vitro O=C(c1ccccc1)[C@H](Cl)c1ccccc1 1641201 RXDYOLRABMJTEF-CYBMUJFWSA-N 230.694 3.849 50 50 BHGA N#C/C(=C/c1ccc(C#N)cc1)c1cccc(F)c1 4739841 XEOLMSRWMGDKCE-NVNXTCNLSA-N 248.260 3.762 50 50 BHGA Clc1ccc(CCCBr)cc1 49651094 OVXYDNVSUOXGQG-UHFFFAOYSA-N 233.536 3.668 50 50 BHGA in-vitro C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Cl 33434642 BYCKTHKLECXCHD-SECBINFHSA-N 240.730 3.517 50 50 BHGA Cc1cc(OC(C)(C)C(=O)Cl)ccc1Cl 33435071 KNWNDQOKXLGMMA-UHFFFAOYSA-N 247.121 3.571 50 50 BHGA CCCOc1ccc(Cl)cc1C(=O)Cl 33434255 IFYQNRXZWFVTBE-UHFFFAOYSA-N 233.094 3.508 50 50 BHGA c1cc(CSSCc2ccncc2)ccn1 15865840 DAVWLGVBAUGEOK-UHFFFAOYSA-N 248.376 3.558 50 50 BHGA aggregator,in-vitro CCCCCC[C@@H](C)CBr 71773709 XHYRIXNUUUUPAL-SECBINFHSA-N 207.155 3.988 50 50 BHGA ClCC[C@@H](Br)c1ccccc1 100012309 SDWVTCNYPZSVQY-SECBINFHSA-N 233.536 3.752 50 50 BHGA in-vitro S=C=Nc1c(Cl)cccc1Cl 2390079 SUCGVQHNGIQXGD-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro ClC[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 71786862 JMHBQFIUGVZQSW-BDAKNGLRSA-N 235.541 3.813 50 50 BHGA N#CC=C(c1ccccc1)c1ccccc1 1709836 RDGWQFSLTSPRBG-UHFFFAOYSA-N 205.260 3.642 50 50 BHGA biogenic,in-vitro CO[C@@H](CCCl)c1ccc(Cl)cc1 1690190 WEMSZIUGMVBXTP-JTQLQIEISA-N 219.111 3.656 50 50 BHGA in-vitro CCCCCOc1ccc(C(=O)Cl)cc1 1586326 IBQDPNHVFRFCFK-UHFFFAOYSA-N 226.703 3.635 50 50 BHGA N#CSCCCCOc1ccc(Cl)cc1 2880509 VLMJBTSTBYGATK-UHFFFAOYSA-N 241.743 3.713 50 50 BHGA CC[C@@H]1CCc2sc(C(=O)Cl)cc2C1 15933390 CIADOBQJUAUMFH-SSDOTTSWSA-N 228.744 3.642 50 50 BHGA Fc1cc(Cl)cc(F)c1CBr 2243323 KYKUEAHGMDKVLF-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA CC(C)(C)C1CCC(C(=O)Cl)CC1 2574136 QPKSDZYQGFDJIU-UHFFFAOYSA-N 202.725 3.604 50 50 BHGA Cc1ccc(C(F)(F)F)cc1CCl 2575689 ZUZJZUFMXLLABC-UHFFFAOYSA-N 208.610 3.753 50 50 BHGA Fc1cc(CCl)ccc1C(F)(F)F 148012340 LBRMEGUZSFQNIT-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1ccccc1O 196093908 LCTNVXUTAZVSEX-UHFFFAOYSA-N 224.376 3.776 50 50 BHGA in-vitro N#CC1=C(Nc2ccc(Cl)cc2)CCC1 285601 NECOTOQFSAVDFN-UHFFFAOYSA-N 218.687 3.713 50 50 BHGA biogenic NCc1ccc(S(F)(F)(F)(F)F)cc1 97950012 XEFDRIHZYFHFOJ-UHFFFAOYSA-N 233.205 3.803 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)Oc1cccc(O)c1F 196329695 LASWNLPFHFTONC-UHFFFAOYSA-N 242.366 3.915 50 50 BHGA C[C@@H](Cl)COc1ccc2ccccc2c1 2518799 OTSUZEQEVOFDOR-SNVBAGLBSA-N 220.699 3.846 50 50 BHGA Fc1c(Cl)ccc(CBr)c1F 261508814 XEGQMKRNLKNWIB-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA ClCC1=Nc2ccccc2Cc2ccccc21 330382 IIMMHAZDMPISBS-UHFFFAOYSA-N 241.721 3.950 50 50 BHGA in-vitro BrCCCCCOc1ccccc1 2579108 WNGRHTGNGQSCTL-UHFFFAOYSA-N 243.144 3.631 50 50 BHGA in-vitro Nc1cccc(S(F)(F)(F)(F)F)c1 95676551 NUFLICUHOXHWER-UHFFFAOYSA-N 219.178 3.926 50 50 BHGA in-vitro N#CC(C#N)=C(c1ccccc1)c1ccccc1 284524 KOQMBAGMXLUQDS-UHFFFAOYSA-N 230.270 3.536 50 50 BHGA C[Si](C)(C)Oc1ccccc1Cl 169807346 NZLHRQHCIXYIMM-UHFFFAOYSA-N 200.741 3.554 50 50 BHGA in-vitro N[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1 1665991 FMWYBZUTYVPNJY-KGLIPLIRSA-N 231.726 3.667 50 50 BHGA biogenic,in-vitro N#C/C(=C/c1cccs1)c1ccc(C#N)cc1 582343 AVJPGKUKXBQMNQ-JYRVWZFOSA-N 236.299 3.684 50 50 BHGA ClCCc1cc2ccccc2nc1Cl 336201 LLRIWJKFYUSCOK-UHFFFAOYSA-N 226.106 3.670 50 50 BHGA in-vitro N[C@H](c1ccccc1)[C@@H](Cl)c1ccccc1 1665994 FMWYBZUTYVPNJY-UONOGXRCSA-N 231.726 3.667 50 50 BHGA biogenic,in-vitro Cc1ccccc1-c1ncc(CCl)s1 19090629 GTMIZZSHNDDSDS-UHFFFAOYSA-N 223.728 3.857 50 50 BHGA O=C(CCl)C(c1ccccc1)c1ccccc1 261507086 FDKZWKIFDIVPDI-UHFFFAOYSA-N 244.721 3.626 50 50 BHGA in-vitro Cc1cc(Cl)ccc1CBr 169116126 YKNWZHYCHLFKGW-UHFFFAOYSA-N 219.509 3.543 50 50 BHGA in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cl 14588583 KIUPCUCGVCGPPA-BBBLOLIVSA-N 218.724 3.823 50 50 BHGA N#Cc1cc(S(F)(F)(F)(F)F)ccc1N 169808287 QCSKWNLAJJVWTM-UHFFFAOYSA-N 244.188 3.798 50 50 BHGA CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Cl 40451380 OPEWCTKDPYRJQF-CYBMUJFWSA-N 248.709 3.763 50 50 BHGA Cc1nn(-c2ccccc2)c(Cl)c1CCl 4207216 LJRKBPGJMPHUPW-UHFFFAOYSA-N 241.121 3.573 50 50 BHGA Clc1ccc(/C=C/CBr)cc1 68561601 HHGLXVQTNJCLME-OWOJBTEDSA-N 231.520 3.748 50 50 BHGA CC(C)[C@H](CC=O)CO[Si](C)(C)C(C)(C)C 169833327 GWVKJEGIJMMCMC-GFCCVEGCSA-N 244.451 3.869 50 50 BHGA CC(C)c1ccccc1CBr 59554895 MNFHEXAXUHCTBY-UHFFFAOYSA-N 213.118 3.705 50 50 BHGA in-vitro CCCCC[C@@H](C)CCBr 140042300 PZZBSMKSCWYJJW-SECBINFHSA-N 207.155 3.988 50 50 BHGA Cc1ccc2c(C(=O)Cl)csc2c1 40451417 OCMJJFRJVBNAMI-UHFFFAOYSA-N 210.685 3.589 50 50 BHGA CC(C)c1cccc(C(C)C)c1N=C=O 152298 FEUFNKALUGDEMQ-UHFFFAOYSA-N 203.285 3.901 50 50 BHGA in-vitro Cc1ccc(-c2noc(C(Cl)Cl)n2)cc1 100014358 KOZUNEPMJRLDSB-UHFFFAOYSA-N 243.093 3.521 50 50 BHGA O=C(Cl)c1ccc(C(F)(F)F)c(Cl)c1 67800072 KKXPAIGCYQCQHM-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA Cl[C@H]1CCc2cc(Br)ccc21 85210415 BPOKNBVVGMFTRB-VIFPVBQESA-N 231.520 3.675 50 50 BHGA in-vitro C[C@H](N=C=S)C12CC3CC(CC(C3)C1)C2 4702278 NPQQRDNZDAFARW-TWJXAIAZSA-N 221.369 3.694 50 50 BHGA Cc1cc(F)c(Br)cc1N=C=S 67794466 BDQDTPRQPDBKKA-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA BrCc1csc2ccccc12 36379660 WYKHJZSILIVQKU-UHFFFAOYSA-N 227.126 3.796 50 50 BHGA CCCCCCC(=O)OC(=O)CCCCCC 85834730 DAPZDAPTZFJZTO-UHFFFAOYSA-N 242.359 3.997 50 50 BHGA BrCc1ccc2ccccc2c1 1845478 RUHJZSZTSCSTCC-UHFFFAOYSA-N 221.097 3.735 50 50 BHGA C=C[C@]1(O[Si](C)(C)C)C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@@H]32 169828573 VHNDPULWZBYGIZ-QTVXIADOSA-N 246.426 3.771 50 50 BHGA Fc1ccc2nc(Cl)c(CCl)cc2c1 11985087 FGCUGCAEAHOYBW-UHFFFAOYSA-N 230.069 3.766 50 50 BHGA in-vitro Cc1ccc(Cl)c(OC(C)(C)C(=O)Cl)c1 40451395 NTTPHXAMHADSST-UHFFFAOYSA-N 247.121 3.571 50 50 BHGA CC(C)(C)c1ccc(OCCCSC#N)cc1 3106042 RTKAYTMAHYZVGS-UHFFFAOYSA-N 249.379 3.967 50 50 BHGA O=C(/N=N/c1ccccc1)NNc1ccccc1 3860980 ZFWAHZCOKGWUIT-BMRADRMJSA-N 240.266 3.507 50 50 BHGA in-vitro O=C(CCl)c1c(Cl)cc(F)cc1Cl 263624230 ONCWZLZAAAJUTB-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA Clc1ccccc1CCCBr 1623472 AKMIGKNTCCSJNQ-UHFFFAOYSA-N 233.536 3.668 50 50 BHGA in-vitro Cc1ccc(-c2nc(CCl)cs2)cc1 2569102 MOMKYJPSVWEWPM-UHFFFAOYSA-N 223.728 3.857 50 50 BHGA in-vitro CC(C)(C)OC(=O)Nc1cccc(CCl)c1 82162961 RAHGJAIFYCYZQQ-UHFFFAOYSA-N 241.718 3.772 50 50 BHGA S=C=Nc1ccc(OCc2ccccc2)cc1 164792 OQXRBXAFSXVCCO-UHFFFAOYSA-N 241.315 4.000 50 50 BHGA in-vitro O=C(CCl)c1cc(F)cc(Cl)c1Cl 263623946 MBKULPYEBRCYDL-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA CC(C)(C)C1CCC(Br)CC1 57368714 AQLKCZOZKNQXDW-UHFFFAOYSA-N 219.166 3.986 50 50 BHGA N#C/C(=C\Nc1ccccc1)c1ccccc1 100363253 YJHCLJGOGRJTPH-WYMLVPIESA-N 220.275 3.663 50 50 BHGA BrC1[C@@H]2c3cccc4cccc(c34)[C@@H]12 101048416 FGGVZZZAHZYRMY-VXGBXAGGSA-N 245.119 3.798 50 50 BHGA O=C(Nc1cccc2ccccc12)OCCCl 1698060 BHDGESYSXSAAFK-UHFFFAOYSA-N 249.697 3.627 50 50 BHGA Cc1c(C)c(C)c(C(=O)CCl)c(C)c1C 159081 SPPLVERXFNZFAP-UHFFFAOYSA-N 224.731 3.650 50 50 BHGA in-vitro O=C(Cl)Oc1cccc2ccccc12 1698072 JRUFQZPDRRGHEF-UHFFFAOYSA-N 206.628 3.577 50 50 BHGA O=C(Cl)c1cccc2c1-c1ccccc1C2 5064926 HDQDDUVQIZXFNI-UHFFFAOYSA-N 228.678 3.637 50 50 BHGA CC(C)(C)P(Cl)c1ccccc1 100128948 XOQDDCZARYSQNB-UHFFFAOYSA-N 200.649 3.746 50 50 BHGA Cc1c(N=C=S)ccc(Br)c1F 15443755 ZYTVGZLBQPJEEB-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA FS(F)(F)(F)(F)c1ccc2[nH]nnc2c1 101651198 XQJPVKFJVHRARI-UHFFFAOYSA-N 245.176 3.615 50 50 BHGA BrCc1cccc(C23CC(C2)C3)c1 238010158 RLZFXAXGDITKBS-UHFFFAOYSA-N 237.140 3.633 50 50 BHGA C[C@H](Cl)OC(=O)Sc1ccccc1 3080914 MSKUAMMKERLBDC-SSDOTTSWSA-N 216.689 3.500 50 50 BHGA O=C(Cl)c1ccc(-c2cccs2)s1 2582844 HTMFYRRRQQYPCA-UHFFFAOYSA-N 228.725 3.856 50 50 BHGA in-vitro BrC1C2=C1c1cccc3cccc2c13 3075498 YIIDGQZJAJHUFY-UHFFFAOYSA-N 243.103 3.841 50 50 BHGA CC(C)(C)[Si](C)(C)OC1(C=O)CCCC1 616583233 YDPKTWTUVWECJS-UHFFFAOYSA-N 228.408 3.520 50 50 BHGA CC(=O)c1c(C)cc(C)c(CCl)c1C 3887716 IDTSHTPFUYLXGB-UHFFFAOYSA-N 210.704 3.553 50 50 BHGA in-vitro Cc1ccc(C)n1-c1ccc(C=C(C#N)C#N)cc1 169838 SQSNNYNMFMHDSC-UHFFFAOYSA-N 247.301 3.525 50 50 BHGA N#CSCCCCCOc1ccccc1F 2880478 VJJBUCPGGUDCJJ-UHFFFAOYSA-N 239.315 3.589 50 50 BHGA CC(C)CC(=O)CO[Si](C)(C)C(C)(C)C 169837148 VJINAYBRRNGKDW-UHFFFAOYSA-N 230.424 3.623 50 50 BHGA Fc1c(F)c(CCl)c(F)c(F)c1CCl 2573954 WEUAASLFNKTIIM-UHFFFAOYSA-N 247.018 3.721 50 50 BHGA Cc1cc(C(F)(F)F)cc(C(=O)Cl)c1F 1772718384 XKFGPEAMLPPELC-UHFFFAOYSA-N 240.583 3.532 50 50 BHGA Fc1ccc(C(F)(F)F)c(CCl)c1 2559515 IGURRQIIIXYJND-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA ClCc1cc(Cl)sc1Cl 39259376 WXHFSFYPTBVADG-UHFFFAOYSA-N 201.505 3.794 50 50 BHGA in-vitro FC(F)(F)c1ccc(CBr)cc1 2242589 IKSNDOVDVVPSMA-UHFFFAOYSA-N 239.034 3.600 50 50 BHGA in-vitro CCCC[C@H](C)C(=O)OC(=O)[C@@H](C)CCCC 100508571 KRFHNSRRDDKHDT-RYUDHWBXSA-N 242.359 3.709 50 50 BHGA C[Si](C)(C)O[C@H](C#N)c1ccc(Cl)cc1 196001287 NGFBGCKUHBZQOP-LLVKDONJSA-N 239.778 3.756 50 50 BHGA BrCCCC1CCCCC1 1699274 SAJKBMWWUCUTBI-UHFFFAOYSA-N 205.139 3.742 50 50 BHGA in-vitro O=C(CCl)c1cccc(-c2ccccc2)c1 33495474 XEGBZNJOAZJPQF-UHFFFAOYSA-N 230.694 3.775 50 50 BHGA Cc1cc(C)c(CBr)c(C)c1 1664057 HIQNEJUMZTWMLW-UHFFFAOYSA-N 213.118 3.507 50 50 BHGA in-vitro N#C/C(=C\c1ccccc1)c1ccccc1 1081283 VFOKYTYWXOYPOX-RVDMUPIBSA-N 205.260 3.751 50 50 BHGA ClCc1cc2ccc(Cl)cc2cn1 140510201 DWZTUNJPLVGHJO-UHFFFAOYSA-N 212.079 3.627 50 50 BHGA N#C/C(=C\c1ccccc1)c1nc2ccccc2[nH]1 4135534 YASZPDZHYPEICO-JLHYYAGUSA-N 245.285 3.627 50 50 BHGA O=C(Nc1ccccc1)[C@H](Cl)c1ccccc1 8390449 FMADJSSGSBCKGZ-CYBMUJFWSA-N 245.709 3.605 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1cccc(O)c1 195941410 WNTUMICETVLAST-UHFFFAOYSA-N 224.376 3.776 50 50 BHGA Fc1ccc(F)c(CBr)c1Cl 2382097 KAADKOQBKOGBAA-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA biogenic CC1=C(/C=C/C(C)=C/C#N)C(C)(C)C[C@H](O)C1 22063200 CMCVROFOKTXDFK-NECKEDLISA-N 231.339 3.510 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1 169743427 XACWSBWCLJXKGI-UHFFFAOYSA-N 236.387 3.883 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)Oc1ccccc1C=O 195848545 UCCLHEPNJOIMJP-UHFFFAOYSA-N 236.387 3.883 50 50 BHGA Cc1cc(CCl)c(CCl)cc1C 152499 UIMFHDVFMPUGMO-UHFFFAOYSA-N 203.112 3.781 50 50 BHGA in-vitro N#CSCCCCOc1cccc(Cl)c1 2880345 DNZHLPPPBSJZGT-UHFFFAOYSA-N 241.743 3.713 50 50 BHGA CC(C)c1ccc(-c2noc(CCl)n2)cc1 4205553 DJXRLUNPDLKRQB-UHFFFAOYSA-N 236.702 3.599 50 50 BHGA CC(=O)c1ccc(/C(C#N)=C/c2ccco2)s1 1403228 WSOCHTCCDFYZJI-JXMROGBWSA-N 243.287 3.608 50 50 BHGA CC1(C)CC(C(=O)CCl)CC(C)(C)C1 1857780259 XUKJOSYMMNWLMQ-UHFFFAOYSA-N 216.752 3.647 50 50 BHGA S=C=Nc1cc(Cl)ccc1Cl 164766 JHTPBGFVWWSHDL-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro Fc1cccc2cc(CBr)sc12 196232297 VXLHOLVFZAVWOB-UHFFFAOYSA-N 245.116 3.935 50 50 BHGA CC(C)(Oc1ccc2ccccc2c1)C(=O)Cl 33435134 OLLUFTJVVURKCC-UHFFFAOYSA-N 248.709 3.763 50 50 BHGA CC(C)OP(OC(C)C)O[Si](C)(C)C 195859983 XNYCNIJAYKKTFM-UHFFFAOYSA-N 238.340 3.915 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1cccc(F)c1O 220976998 PGGVEDSMSHXDHO-UHFFFAOYSA-N 242.366 3.915 50 50 BHGA C=CCCCCCCCBr 66349074 RQXPBVHYVAOUBY-UHFFFAOYSA-N 205.139 3.908 50 50 BHGA in-vitro O=C=Nc1cc(Cl)c(Cl)cc1Cl 2560428 RDUIJJYNVCVETK-UHFFFAOYSA-N 222.458 3.614 50 50 BHGA in-vitro CN(CCCl)Cc1cccc2ccccc12 1852665 AKXXWMXQMAFEIQ-UHFFFAOYSA-N 233.742 3.510 50 50 BHGA S=C=Nc1cc2cccnc2c2ncccc12 6896480 TZAFRFYNRUUPFS-UHFFFAOYSA-N 237.287 3.517 50 50 BHGA Cc1ccc(-c2nc(CCl)c(C)o2)cc1 215796 DQTOUJFUSUPWOK-UHFFFAOYSA-N 221.687 3.697 50 50 BHGA in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cl 14588582 KIUPCUCGVCGPPA-UTLUCORTSA-N 218.724 3.823 50 50 BHGA O=C(Cl)/C=C/c1cccc2ccccc12 33433406 OPIGLBSXOOGSLX-CMDGGOBGSA-N 216.667 3.618 50 50 BHGA in-vitro CCOc1ccc2ccccc2c1C(=O)Cl 2508005 ZRVFFIXOCFUHDA-UHFFFAOYSA-N 234.682 3.618 50 50 BHGA FC(Cl)(Cl)C(Cl)(Cl)CCl 117728462 OSFHOPYQTQXLHT-UHFFFAOYSA-N 234.312 3.500 50 50 BHGA C=C(/C=C/N(C)C)O[Si](C)(C)C(C)(C)C 169851929 NSCKABIMFIKUEF-MDZDMXLPSA-N 227.424 3.597 50 50 BHGA in-vitro C[C@@H](OC(=O)CCl)c1ccc2ccccc2c1 5373466 YJHAEGJUCDYFJF-SNVBAGLBSA-N 248.709 3.683 50 50 BHGA Nc1ccccc1S(F)(F)(F)(F)F 100043352 PBQAAOKNAPOLGK-UHFFFAOYSA-N 219.178 3.926 50 50 BHGA in-vitro C[Si](C)(C)C(Br)[Si](C)(C)C 196089272 MYXGYPFZVNSVCB-UHFFFAOYSA-N 239.305 3.505 50 50 BHGA in-vitro Fc1cc(Cl)cc(Cl)c1CCl 263623007 CURILSCKLROVMZ-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA CC(=C(C#N)C#N)c1ccc2ccccc2c1 391466 TWBKHMOPAQPVFO-UHFFFAOYSA-N 218.259 3.660 50 50 BHGA CC[C@H](Oc1cccc2ccccc12)C(=O)Cl 40451377 RERJKJSMEAWORN-LBPRGKRZSA-N 248.709 3.763 50 50 BHGA ClCCSCc1ccc(Cl)cc1 2162155 HYRQROHDRSJJOK-UHFFFAOYSA-N 221.152 3.812 50 50 BHGA Cc1c(Cl)c(CCl)nc2ccccc12 3349693 NHZKACKEYDNZEN-UHFFFAOYSA-N 226.106 3.935 50 50 BHGA in-vitro Cc1cc(Cl)c(C(=O)CCl)cc1Cl 263622956 CJXRMCVDHLJLAG-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA ClCc1nnc(-c2ccc(Cl)cc2)s1 2511424 QJHYCCBKRALUJV-UHFFFAOYSA-N 245.134 3.597 50 50 BHGA CC(C)(C)[Si](C)(C)OCc1ccccn1 195776079 OYXRAJQQRHZBEK-UHFFFAOYSA-N 223.392 3.603 50 50 BHGA in-vitro C[C@@H](CCl)OC(=O)Nc1ccc(Cl)cc1 2171887 VNDJQVIWGVAMNJ-ZETCQYMHSA-N 248.109 3.516 50 50 BHGA S=C=Nc1ccc(Br)cc1Cl 2390076 GVTFIGQDTWPFTA-UHFFFAOYSA-N 248.532 3.837 50 50 BHGA O=C(c1ccccc1)c1ccc(CCl)cc1 2525873 PXFOBPPTJQWHRN-UHFFFAOYSA-N 230.694 3.656 50 50 BHGA in-vitro Clc1cccc(OCCCBr)c1 4291180 MVKLHPFBHSJVLA-UHFFFAOYSA-N 249.535 3.504 50 50 BHGA Cc1ccccc1OC(F)(F)[C@H](F)Cl 1655639 IWJVUBUSVZHVJT-QMMMGPOBSA-N 224.609 3.501 50 50 BHGA C[Si](C)(C)CCCCO[Si](C)(C)C 169818094 QKMNLIDNGUCJIK-UHFFFAOYSA-N 218.489 3.956 50 50 BHGA O=C(Cl)c1ccc(-c2cccc(Cl)c2)o1 2578566 DBONYOXUBWINEQ-UHFFFAOYSA-N 241.073 3.979 50 50 BHGA CO/C(=C(\C#N)c1ccccc1)c1ccccc1 401958 IBUZFMSKKIVLBZ-FOCLMDBBSA-N 235.286 3.725 50 50 BHGA Nc1ccc(S(F)(F)(F)(F)F)cc1N 100043459 UIJLRAJFHPRCAD-UHFFFAOYSA-N 234.193 3.508 50 50 BHGA N#C/C(=C\c1cccs1)c1cccs1 389926 OXJZQVOOGYHIQG-VQHVLOKHSA-N 217.318 3.874 50 50 BHGA Fc1cc(Cl)cc(Cl)c1N=C=S 263620181 PVTTZZSJLBWJDF-UHFFFAOYSA-N 222.071 3.867 50 50 BHGA in-vitro O=C(Cl)c1cc2c(s1)CCCCCC2 40451433 ROHVXDURUHBXHM-UHFFFAOYSA-N 228.744 3.786 50 50 BHGA N[C@H](c1ccccc1)[C@H](Cl)c1ccccc1 1665992 FMWYBZUTYVPNJY-ZIAGYGMSSA-N 231.726 3.667 50 50 BHGA biogenic,in-vitro C[Si](C)(C)OP(C)(=O)O[Si](C)(C)C 169806623 KFHCUPQNEZPPQU-UHFFFAOYSA-N 240.388 3.512 50 50 BHGA CC(C)[C@@H](C(=O)Cl)c1ccc(Cl)cc1 2506800 BWPYAVCZZUTOBY-SNVBAGLBSA-N 231.122 3.845 50 50 BHGA in-vitro ClCCSc1ccc(Cl)cc1 1712721 PVPKFKCDIRXVLO-UHFFFAOYSA-N 207.125 3.671 50 50 BHGA in-vitro Cc1cc(Cl)cc(C(=O)CCl)c1Cl 263623090 DNPRGBUCROCPKM-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA C[Si](C)(C)O[C@@H](C#N)c1ccc(Cl)cc1 195916883 NGFBGCKUHBZQOP-NSHDSACASA-N 239.778 3.756 50 50 BHGA C/C(=N/O)[C@H](Cl)C12CC3CC(CC(C3)C1)C2 2134791426 UFSUATDVTQWWIS-ZTJGKOAMSA-N 241.762 3.660 50 50 BHGA CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)cc1 1395539 ZDXXNHLQXKSQQN-DHZHZOJOSA-N 247.725 3.862 50 50 BHGA O=C(Cl)Oc1ccc2ccccc2c1 2528009 KDUFRLUGTLSJKD-UHFFFAOYSA-N 206.628 3.577 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@H]1C2 169832576 FSYULIDWIYPHGX-SRVKXCTJSA-N 224.420 3.973 50 50 BHGA Clc1cccc(CBr)c1Cl 2509834 PVIGUZZDWGININ-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA in-vitro O[C@@H]1CCCCCCCCCC[C@@H]1Cl 4533013 ZQBSIIHTGXIKHM-NWDGAFQWSA-N 218.768 3.869 50 50 BHGA Cc1ccc(CBr)c(Cl)c1 202651263 NMLVMLXVZWSOGU-UHFFFAOYSA-N 219.509 3.543 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)Oc1cc(O)ccc1F 261493849 KRGJUGABGPKTJJ-UHFFFAOYSA-N 242.366 3.915 50 50 BHGA N#C/C(=C/c1ccccc1)c1cccc(C#N)c1 2884803 QSMSLUXOMSSBHA-SXGWCWSVSA-N 230.270 3.622 50 50 BHGA FC(F)(F)[C@H](Br)c1cccs1 40282066 YWMFCECTXQCCPY-RXMQYKEDSA-N 245.063 3.746 50 50 BHGA in-vitro Cc1c(N=C=S)cccc1C(F)(F)F 15443790 BIBIVOJGQBWOHL-UHFFFAOYSA-N 217.215 3.748 50 50 BHGA Cc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)o1 12341722 SILXKNLMWTZDCR-ZSOIEALJSA-N 234.258 3.524 50 50 BHGA CC[C@H](Oc1cc(C)ccc1Cl)C(=O)Cl 40451350 XMIAGQYHQFVNQC-VIFPVBQESA-N 247.121 3.571 50 50 BHGA O[C@H](CCCl)c1ccc(Cl)c(Cl)c1 12649315 MFBGPPIDBLVWIT-SECBINFHSA-N 239.529 3.656 50 50 BHGA in-vitro Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1 4829439 CLBTVLCRSHJGOF-WJDWOHSUSA-N 247.297 3.785 50 50 BHGA Fc1cc(Cl)c(CBr)cc1F 71867249 XXVGKTKQAYRRPE-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA OCc1ccc(S(F)(F)(F)(F)F)cc1 97949966 QKEQGUCFBIRBAU-UHFFFAOYSA-N 234.189 3.836 50 50 BHGA C=C(/C=C/OC)O[Si](C)(C)C(C)(C)C 170154022 ZFQOHWZWPLWDDF-CMDGGOBGSA-N 214.381 3.682 50 50 BHGA Cc1cc(N=C=S)c(F)cc1Br 31829445 YUFICKUMEMEOMA-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA CCCCCCCCI 2031601 UWLHSHAHTBJTBA-UHFFFAOYSA-N 240.128 3.782 50 50 BHGA [C-]#[N+]CC(c1ccccc1)c1ccccc1 95698157 JIPPKVDKFJRSEG-UHFFFAOYSA-N 207.276 3.738 50 50 BHGA in-vitro S=c1sc2ccccc2n1CCl 155762 XHZRTBILUWRQBR-UHFFFAOYSA-N 215.730 3.629 50 50 BHGA CCCCc1ccc(C=C(C#N)C#N)s1 2771210 AAAFFJJBQGZTFF-UHFFFAOYSA-N 216.309 3.521 50 50 BHGA O=C(CCl)c1cc(Cl)c(F)cc1Cl 263622794 AYBJZYVYLAZJEJ-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA N#CC(C#N)=C1Nc2ccccc2-c2ccccc21 23634667 SXYWHCCXPORBKR-UHFFFAOYSA-N 243.269 3.537 50 50 BHGA CC[C@@H](OCCBr)c1ccccc1 253183025 JZKNTOUBAIFTNT-LLVKDONJSA-N 243.144 3.549 50 50 BHGA Cc1oc(-c2ccc(F)cc2)nc1CCl 2559664 AHJILHLRJFFFGV-UHFFFAOYSA-N 225.650 3.528 50 50 BHGA in-vitro O=CC1=C(Sc2ccccc2)CCCC1 3407320 OJICQHXFPNCRRE-UHFFFAOYSA-N 218.321 3.806 50 50 BHGA in-vitro O=C(Cl)c1cccc(-c2ccccc2)c1 2510969 FJAFGSULCGOKPU-UHFFFAOYSA-N 216.667 3.733 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@H](C=O)C1CCCC1 616582942 QSEQUFHRHDHVDY-GFCCVEGCSA-N 242.435 3.766 50 50 BHGA O=C(Cl)C1(c2ccc(Cl)cc2)CCCC1 2548969 RZHJJILZUKNEKM-UHFFFAOYSA-N 243.133 3.917 50 50 BHGA O[C@H]1CCCCCCCCCC[C@@H]1Cl 4533015 ZQBSIIHTGXIKHM-RYUDHWBXSA-N 218.768 3.869 50 50 BHGA FC(F)c1cccc(CBr)c1 71790074 ZLEPJRZWCZMUGA-UHFFFAOYSA-N 221.044 3.519 50 50 BHGA in-vitro CC1(C)OB(/C=C/CCCCCl)OC1(C)C 170162647 FNDLLXXDZTUGLB-VQHVLOKHSA-N 244.571 3.583 50 50 BHGA CC(C)(C)/N=[S@](/Cl)c1ccccc1 100028189 RZJYQVFWNHEPTH-CYBMUJFWSA-N 215.749 3.800 50 50 BHGA in-vitro CCc1cccc(C(C)C)c1NC(=O)CCl 1613840 OGNVZTLKMXSTPU-UHFFFAOYSA-N 239.746 3.550 50 50 BHGA C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C 169747570 PQSIXYSSKXAOFE-UHFFFAOYSA-N 228.408 3.891 50 50 BHGA Fc1cc(Cl)c(Cl)c(CCl)c1 263624195 OGOQXVWXFRJOII-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA Fc1ccc2cc(CCl)c(Cl)nc2c1 11985085 FEEYLYBSAMIXIV-UHFFFAOYSA-N 230.069 3.766 50 50 BHGA in-vitro CC(C)(C)/N=[S@@](/Cl)c1ccccc1 100028191 RZJYQVFWNHEPTH-ZDUSSCGKSA-N 215.749 3.800 50 50 BHGA in-vitro O=C(Cl)/C=C/c1ccc(Cl)cc1Cl 33434377 BEFNRKXKWVDOFW-DUXPYHPUSA-N 235.497 3.772 50 50 BHGA S=C(Cl)Sc1ccc(Cl)cc1 32296938 ONPZDQQZKTVTTF-UHFFFAOYSA-N 223.149 3.956 50 50 BHGA S=C=NC(c1ccccc1)c1ccccc1 2508121 WDOSFTZMBFYTED-UHFFFAOYSA-N 225.316 3.879 50 50 BHGA in-vitro O=C(Cl)c1ccc(O[C@@H]2C=CCCC2)cc1 263624094 NHSAWNONBQUEAF-LLVKDONJSA-N 236.698 3.553 50 50 BHGA S=C=Nc1cc(Cl)cc(Cl)c1 164704 JLEMKZDHFGCHLO-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro N#C/C(=C/c1cccs1)c1ccccc1 4826475 FACDZBYANOZMGQ-XFXZXTDPSA-N 211.289 3.812 50 50 BHGA N#CC(C#N)=C1c2ccccc2-c2ccccc21 391467 DBJKIYVWFSACIT-UHFFFAOYSA-N 228.254 3.516 50 50 BHGA in-vitro CCCCC/C(C=O)=C\c1ccccc1 4764408 HMKKIXGYKWDQSV-SDNWHVSQSA-N 202.297 3.849 50 50 BHGA endogenous,in-man Clc1ccc(OCCCBr)cc1 1712820 QVEAVDHTWIVBSX-UHFFFAOYSA-N 249.535 3.504 50 50 BHGA in-vitro C[C@H](Cl)COc1ccc2ccccc2c1 6794712 OTSUZEQEVOFDOR-JTQLQIEISA-N 220.699 3.846 50 50 BHGA C=C(O[Si](C)(C)C)C(=C)O[Si](C)(C)C 170173123 BEIXTGGJVNHLEO-UHFFFAOYSA-N 230.456 3.717 50 50 BHGA CC[C@H](Oc1ccc(C(C)C)cc1)C(=O)Cl 40451372 KYJQNYATXHJZNF-LBPRGKRZSA-N 240.730 3.733 50 50 BHGA O=C(Cl)c1ccc(C(F)(F)F)cc1Cl 39320473 OCLDSIAHVMNJMC-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@H]1CCCCC1=O 170162381 HOZXDUOXGSOLJB-NSHDSACASA-N 228.408 3.520 50 50 BHGA O=C(Nc1ccccc1)[C@@H](Cl)c1ccccc1 8390447 FMADJSSGSBCKGZ-ZDUSSCGKSA-N 245.709 3.605 50 50 BHGA CC(C)(Oc1cccc2ccccc12)C(=O)Cl 40451404 DZCPSVQCXLAEKZ-UHFFFAOYSA-N 248.709 3.763 50 50 BHGA C=C(/N=C/OC(C)C)O[Si](C)(C)C(C)(C)C 169838021 UUASIGHPEMUVRD-UKTHLTGXSA-N 243.423 3.933 50 50 BHGA C=C(C)[P+](C)(c1ccccc1)c1ccccc1 101011060 IPIAOISPNXRTQT-UHFFFAOYSA-N 241.294 3.818 50 50 BHGA O=C(Cl)C1c2ccccc2-c2ccccc21 2029471 YZVDEVQOPPKHFU-UHFFFAOYSA-N 228.678 3.564 50 50 BHGA O=C/C=C(/Cl)c1ccc2ccccc2c1 134117209 YIDWVVQAFUYLQL-NTUHNPAUSA-N 216.667 3.618 50 50 BHGA N#CC(C#N)=Cc1ccc(-c2cccs2)s1 108101 JULWDNGPIOYHSR-UHFFFAOYSA-N 242.328 3.907 50 50 BHGA O=C(Cl)c1sc2ccccc2c1Cl 2169340 GWKSSMDJEWPKCM-UHFFFAOYSA-N 231.103 3.934 50 50 BHGA in-vitro Clc1ccc(Cl)c(CBr)c1 2560069 UUVDOPTUDWJHFK-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA in-vitro O=C(N=Nc1ccccc1)NNc1ccccc1 252463150 ZFWAHZCOKGWUIT-UHFFFAOYSA-N 240.266 3.507 50 50 BHGA Cc1ccc(Cl)c(CBr)c1F 2574984 QWQVTYYKMSFGGP-UHFFFAOYSA-N 237.499 3.682 50 50 BHGA FC(F)(F)[C@H](Br)c1ccccc1 58143607 IRICHAOGAOFEQI-SSDOTTSWSA-N 239.034 3.685 50 50 BHGA in-vitro Cc1cccc(OC(F)(F)[C@@H](F)Cl)c1 2162108 IUFHPFGLGWPGIY-MRVPVSSYSA-N 224.609 3.501 50 50 BHGA CC[C@H]1CCc2sc(C(=O)Cl)cc2C1 2536633 CIADOBQJUAUMFH-ZETCQYMHSA-N 228.744 3.642 50 50 BHGA O=P(Cl)(Cl)Oc1ccccc1 59699247 TXFOLHZMICYNRM-UHFFFAOYSA-N 210.984 3.651 50 50 BHGA in-vitro CCc1cc(C)cc(CC)c1N=C=S 60068290 LTMAEDFDVJOQSP-UHFFFAOYSA-N 205.326 3.854 50 50 BHGA Fc1cc(Cl)c(Cl)cc1CCl 263624814 ULPHQEUUXJXQCY-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA O=C(CCl)c1c(F)cc(Cl)cc1Cl 263625180 XLRMSYKMIKDSJD-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA Clc1cccc(CCCBr)c1 49651092 OHERYFKQOIVITI-UHFFFAOYSA-N 233.536 3.668 50 50 BHGA in-vitro CCCN(CCC)C(=O)SCCCCl 71774024 ZZHRSRWVTHEDOL-UHFFFAOYSA-N 237.796 3.591 50 50 BHGA [C-]#[N+]Cc1cccc(OCc2ccccc2)c1 216025424 WQOSGFHDCOYQKO-UHFFFAOYSA-N 223.275 3.685 50 50 BHGA O=C(Cl)/C=C/c1ccc(Cl)c(Cl)c1 33434378 SQOOOIAYRCYPSW-DUXPYHPUSA-N 235.497 3.772 50 50 BHGA O=C(Cl)c1cc(Cl)ccc1C(F)(F)F 2574967 HSKPEPFDFCWQGY-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA in-vitro BrCc1cccc2ccccc12 1726273 RZJGKPNCYQZFGR-UHFFFAOYSA-N 221.097 3.735 50 50 BHGA in-vitro CCCC[C@@H](CC)CI 2579152 WNPGSEJRPYSCDQ-MRVPVSSYSA-N 240.128 3.638 50 50 BHGA Fc1ccc(CBr)c(F)c1Cl 2528386 FCYPGMBZSOLBNP-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA BrCCCCSc1ccccc1 36949769 UBTYAHFMUFSMLS-UHFFFAOYSA-N 245.185 3.954 50 50 BHGA N#Cc1ccc2[nH]cc(CCCCCl)c2c1 22010755 NJJWMEJWFYRORL-UHFFFAOYSA-N 232.714 3.601 50 50 BHGA in-vitro BrCCCCCC[C]1[CH][CH][CH][CH]1 100099817 MBFWGUOIULNWEK-UHFFFAOYSA-N 228.153 3.737 50 50 BHGA Fc1c(Cl)ccc(Cl)c1CCl 263622873 BOXQKJZSGMLZBF-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA N#C/C(=C\c1ccccc1F)c1cccs1 395886 XYHDXTVWKNRIKV-DHZHZOJOSA-N 229.279 3.951 50 50 BHGA N#CSCSc1nc2ccccc2s1 2016149 TUBQDCKAWGHZPF-UHFFFAOYSA-N 238.362 3.560 50 50 BHGA in-vitro CCc1ccc(/C=C(\C#N)c2cccs2)o1 395873 KLDCMLCOYCVFDQ-CSKARUKUSA-N 229.304 3.968 50 50 BHGA Fc1ccc(C(F)(F)F)cc1N=C=S 2583614 PVQGRXJLBCCYLQ-UHFFFAOYSA-N 221.178 3.579 50 50 BHGA in-vitro ClCCC[C@@]1(c2ccccc2)CCCO1 45069876 PAMNFYLKSCQFCH-ZDUSSCGKSA-N 224.731 3.711 50 50 BHGA CC(C)c1ccccc1OCCCSC#N 71773411 QDRTUQZEBYKURY-UHFFFAOYSA-N 235.352 3.793 50 50 BHGA CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1 169743421 HXKBGMNGSYGPRB-UHFFFAOYSA-N 228.408 3.520 50 50 BHGA in-vitro S=C=N[C@H]1CCCC[C@@H]1OCc1ccccc1 2548094 DNRPSBSMXLYTQF-KBPBESRZSA-N 247.363 3.617 50 50 BHGA Cc1cc(Cl)c(C(=O)Cl)cc1Cl 146932673 HGQKUWNUOTWRBX-UHFFFAOYSA-N 223.486 3.681 50 50 BHGA Cc1ccc2cc(CCCl)c(Cl)nc2c1 332878 XIGSAZBADQKAQL-UHFFFAOYSA-N 240.133 3.978 50 50 BHGA Cc1cc(F)c(N=C=S)c(Br)c1 15443748 JDJUNXHXNCSGLN-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA Fc1cc(CBr)c(F)cc1Cl 82049841 HBSFCZCGSJARIR-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA CCCCc1ccc(CBr)cc1 69626769 XNQBGVFFKGZXJH-UHFFFAOYSA-N 227.145 3.924 50 50 BHGA in-vitro CN(C)c1ccc(N=C=S)c2ccccc12 152276 SMZHGTXTWIAKGS-UHFFFAOYSA-N 228.320 3.640 50 50 BHGA in-vitro Cc1ccc2ncc(CCCl)c(Cl)c2c1 332178 QRLCGNPRNGFCNH-UHFFFAOYSA-N 240.133 3.978 50 50 BHGA CC(C)c1ccc(OC(C)(C)C(=O)Cl)cc1 33434650 TUBKSZQKPPEWHW-UHFFFAOYSA-N 240.730 3.733 50 50 BHGA O=C(Cl)c1cccc(Oc2ccccc2)c1 2574147 TTZXIWBOKOZOPL-UHFFFAOYSA-N 232.666 3.858 50 50 BHGA CCO/C(=C\[Si](C)(C)C)O[Si](C)(C)C 195980953 ODJZWNZEYBPGIQ-MDZDMXLPSA-N 232.472 3.593 50 50 BHGA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl 4528800 KIUPCUCGVCGPPA-OPRDCNLKSA-N 218.724 3.823 50 50 BHGA CC1(C(=O)Cl)c2ccccc2-c2ccccc21 72194344 ZQYOOHGEBHBNTP-UHFFFAOYSA-N 242.705 3.738 50 50 BHGA in-vitro Cc1ccc(F)c(CBr)c1Cl 2574975 VAMCJPJZOSMZGT-UHFFFAOYSA-N 237.499 3.682 50 50 BHGA C=CCCCCCCCCCNC(=O)CCl 2159876 XKHWJHMUMGTPLE-UHFFFAOYSA-N 245.794 3.648 50 50 BHGA Cc1sc(C)c(CCl)c1CCl 160776 UOAVLAVHDBWBGV-UHFFFAOYSA-N 209.141 3.843 50 50 BHGA O=C(CCCCl)c1ccc(Cl)cc1 2162162 UKCHLVFIVJBCKE-UHFFFAOYSA-N 217.095 3.542 50 50 BHGA Cc1ccccc1OC(F)(F)[C@@H](F)Cl 2162106 IWJVUBUSVZHVJT-MRVPVSSYSA-N 224.609 3.501 50 50 BHGA Fc1cc(N=C=S)cc(C(F)(F)F)c1 31829466 JVRZULHQGCMNER-UHFFFAOYSA-N 221.178 3.579 50 50 BHGA O=C(Cl)c1ccc(O[C@H]2C=CCCC2)cc1 263624095 NHSAWNONBQUEAF-NSHDSACASA-N 236.698 3.553 50 50 BHGA Nc1ccccc1SSc1ccccc1N 4015715 YYYOQURZQWIILK-UHFFFAOYSA-N 248.376 3.650 50 50 BHGA O[C@@H]1CCCCCCCCCC[C@H]1Cl 4533014 ZQBSIIHTGXIKHM-VXGBXAGGSA-N 218.768 3.869 50 50 BHGA CC(=O)/C=C(\C)O[Si](C)(C)C(C)(C)C 169744928 ZRVOCNOYAJIAAP-CSKARUKUSA-N 214.381 3.501 50 50 BHGA ClCCOc1ccc(-c2ccccc2)cc1 33464822 BILSLNDJAVVEHR-UHFFFAOYSA-N 232.710 3.971 50 50 BHGA BrCCC12CC3CC(CC(C3)C1)C2 1297871 OVKAIZXCUJMFLN-UHFFFAOYSA-N 243.188 3.988 50 50 BHGA in-vitro BrCCc1ccc2ccccc2c1 967230 DNJYJMDQLURVBB-UHFFFAOYSA-N 235.124 3.777 50 50 BHGA Clc1ccc(CBr)c(Cl)c1 57214517 RGLQSFFFIREZFV-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA in-vitro CCCP(c1ccccc1)c1ccccc1 2560591 AAXGWYDSLJUQLN-UHFFFAOYSA-N 228.275 3.529 50 50 BHGA N#C/C(=C/c1ccc[nH]1)c1ccc(Cl)cc1 4503664 RXJQQYZCJZSLSB-FLIBITNWSA-N 228.682 3.732 50 50 BHGA BrC1[C@H]2c3cccc4cccc(c34)[C@H]12 101048410 FGGVZZZAHZYRMY-RYUDHWBXSA-N 245.119 3.798 50 50 BHGA C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)Cl)(C3)C2 238438267 RZEJREVONLVTCU-YYTOVBPXSA-N 226.747 3.748 50 50 BHGA O=C(Cl)CCCCCCCCC(=O)Cl 59318028 WMPOZLHMGVKUEJ-UHFFFAOYSA-N 239.142 3.638 50 50 BHGA in-vitro Cl[C@@H]1CCc2cc(Br)ccc21 85210416 BPOKNBVVGMFTRB-SECBINFHSA-N 231.520 3.675 50 50 BHGA in-vitro Cc1cc(C)cc(Pc2cc(C)cc(C)c2)c1 2572431 GPFIUEZTNRNFGD-UHFFFAOYSA-N 242.302 3.550 50 50 BHGA CC(C)c1ccc(NC(=O)C(Cl)Cl)cc1 138709 KCXPLEFNPPSOLA-UHFFFAOYSA-N 246.137 3.552 50 50 BHGA Fc1c(Cl)ccc(CCl)c1Cl 263623222 FRPOVSJQURKMFH-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA Cc1cc(Br)c(F)cc1N=C=S 31829446 WBDGEJIQFCFXPW-UHFFFAOYSA-N 246.104 3.631 50 50 BHGA O=C(Cl)C(c1ccccc1)c1ccccc1 1710418 MSYLETHDEIJMAF-UHFFFAOYSA-N 230.694 3.584 50 50 BHGA O=C(Cl)c1cc2c(Cl)cc(Cl)cc2[nH]1 2582822 ZNJASLMFOWLAOR-UHFFFAOYSA-N 248.496 3.854 50 50 BHGA N#C/C(=C\c1ccc(Cl)cc1)c1ccccn1 4547654 LFVIHKYBDXHYJD-FMIVXFBMSA-N 240.693 3.799 50 50 BHGA S=C=Nc1ccc(Br)c(Cl)c1 2010706 NYJNWHXQEZOISL-UHFFFAOYSA-N 248.532 3.837 50 50 BHGA in-vitro O=C(Cl)c1cccc(SC(F)(F)F)c1 116205602 UACYHAIRBPOIBL-UHFFFAOYSA-N 240.633 3.678 50 50 BHGA CCCCOc1cccc(N=C=S)c1 71773630 YITWRLUFXSJIGZ-UHFFFAOYSA-N 207.298 3.600 50 50 BHGA Nc1cc(S(F)(F)(F)(F)F)ccc1O 100043515 XWNMWJJEYUMLCP-UHFFFAOYSA-N 235.177 3.632 50 50 BHGA in-vitro ClCc1ccc(C(Cl)Cl)cc1 100049726 VQJFMEVGEQWOFW-UHFFFAOYSA-N 209.503 3.902 50 50 BHGA O=C(Cl)c1ccc(OCc2ccccc2)cc1 2578572 ICEKEZSKMGHZNT-UHFFFAOYSA-N 246.693 3.645 50 50 BHGA in-vitro C[C@@H](Cl)OC(=O)Sc1ccccc1 3080915 MSKUAMMKERLBDC-ZETCQYMHSA-N 216.689 3.500 50 50 BHGA COc1ccccc1/C=C(/C#N)c1ccccc1 397052 DHHRPBSETDXPFV-PTNGSMBKSA-N 235.286 3.759 50 50 BHGA Cc1ccc(P(Cl)c2ccc(C)cc2)cc1 100009663 BJBXRRHIBSXGLF-UHFFFAOYSA-N 248.693 3.890 50 50 BHGA in-vitro O=CC1=CSC(=C2SC=CS2)S1 1587064 NDJHQJARYXJFDI-UHFFFAOYSA-N 232.376 3.585 50 50 BHGA in-vitro CC(C)(C)C(=O)CC(Cl)CC(=O)C(C)(C)C 5283878 UJFQHSQNHFRXOR-UHFFFAOYSA-N 246.778 3.604 50 50 BHGA CC(C)c1cc(N=C=S)n(-c2ccccc2)n1 71792217 IIMAVGPTRCIIEE-UHFFFAOYSA-N 243.335 3.730 50 50 BHGA CCCCCC[Si](OCC)(OCC)OCC 169746945 WUMSTCDLAYQDNO-UHFFFAOYSA-N 248.439 3.615 50 50 BHGA in-vitro Fc1cc(CCl)cc(Cl)c1Cl 263624903 VBHCJOSQXYDYQE-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA CCCCN(CCCC)CCCCl 1682366 ANLMKUQEPXRMGV-UHFFFAOYSA-N 205.773 3.518 50 50 BHGA in-vitro CCN(CCCl)Cc1cccc2ccccc12 1718329 GUAYQYRFHZAEID-UHFFFAOYSA-N 247.769 3.901 50 50 BHGA N#CSc1cccc(Br)c1Cl 307251212 NKXXEIMIRZQQFT-UHFFFAOYSA-N 248.532 3.676 50 50 BHGA Br[C@H]1[C@@H]2c3cccc4cccc(c34)[C@H]12 254618839 FGGVZZZAHZYRMY-ITGUQSILSA-N 245.119 3.798 50 50 BHGA CCCCCCCCCC(=O)OCCl 117096950 UXAJBSZQOZOHEI-UHFFFAOYSA-N 220.740 3.867 50 50 BHGA C=C(/C=C\N(C)C)O[Si](C)(C)C(C)(C)C 195800336 NSCKABIMFIKUEF-KTKRTIGZSA-N 227.424 3.597 50 50 BHGA O=C(Cl)c1cccc(OCc2ccccc2)c1 2578571 HPVUGOBQRQUWMK-UHFFFAOYSA-N 246.693 3.645 50 50 BHGA in-vitro O=C(Cl)c1cc(F)c(Cl)cc1Cl 2545359 RPZXUSJCSDQNTE-UHFFFAOYSA-N 227.449 3.512 50 50 BHGA in-vitro CC(C)(C)c1ccccc1OCCCSC#N 2885577 IGVJOOYXUUHRGM-UHFFFAOYSA-N 249.379 3.967 50 50 BHGA C/C(=N/O)[C@@H](Cl)C12CC3CC(CC(C3)C1)C2 2134791425 UFSUATDVTQWWIS-RADZDXHOSA-N 241.762 3.660 50 50 BHGA CCC(C)(C)OC(=O)OC(=O)OC(C)(C)CC 100022403 PGWKKYVDHYLHNF-UHFFFAOYSA-N 246.303 3.653 50 50 BHGA in-vitro Cc1cc(N=C=S)cc(C)c1Br 15444672 GVFMRSLXWNBVNY-UHFFFAOYSA-N 242.141 3.800 50 50 BHGA N#C/C(=C/Nc1ccccc1)c1ccccc1 13405787 YJHCLJGOGRJTPH-OWBHPGMISA-N 220.275 3.663 50 50 BHGA C=CCCCCCCI 114526941 XBRJYHWTXTYAOC-UHFFFAOYSA-N 238.112 3.558 50 50 BHGA C[C@@H](Cl)c1nc2ccccc2n1C(F)F 8012744 QHFAIRLCPGNDFH-ZCFIWIBFSA-N 230.645 3.731 50 50 BHGA in-vitro Cc1ccc(/C=C(\C#N)c2ccccn2)c(C)c1 4547661 KZYKPQHSRVIFPQ-XNTDXEJSSA-N 234.302 3.763 50 50 BHGA Cc1cccc(SCCCCl)c1 2172933 WBQXXXIIOSLCIP-UHFFFAOYSA-N 200.734 3.716 50 50 BHGA Cc1ccc(Oc2ncccc2C(=O)Cl)cc1 2170047 CGQBNLMZQVRGLL-UHFFFAOYSA-N 247.681 3.561 50 50 BHGA ClCc1nc(-c2ccccc2)cs1 11764205 AJRPYRKMJVWZDT-UHFFFAOYSA-N 209.701 3.549 50 50 BHGA ClC[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 71786860 JMHBQFIUGVZQSW-IUCAKERBSA-N 235.541 3.813 50 50 BHGA ClCc1cc(-c2ccc(Cl)cc2)on1 1394150 JKSRJLOJDZYJLA-UHFFFAOYSA-N 228.078 3.734 50 50 BHGA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCl 2559051 XOPLTFUYFXWFGB-MXWKQRLJSA-N 204.741 3.660 50 50 BHGA Nc1ccc2c(c1)SSc1cc(N)ccc1-2 61036 OOAQKQVSPLKAAL-UHFFFAOYSA-N 246.360 3.631 50 50 BHGA O=C(Cl)CC(c1ccccc1)c1ccccc1 11629377 UYXDQUAGGZJICS-UHFFFAOYSA-N 244.721 3.974 50 50 BHGA in-vitro Fc1ccc(CBr)c2ccccc12 69900700 PNTIVILDAFJORJ-UHFFFAOYSA-N 239.087 3.874 50 50 BHGA N#Cc1ccc(CBr)c2ccccc12 71617488 MFUZJLPIGYIBSM-UHFFFAOYSA-N 246.107 3.606 50 50 BHGA CCCCCCCCCCCCCC(=O)NN 44053041 KXTZPAQXYKUVLD-UHFFFAOYSA-N 242.407 3.677 50 50 BHGA CC(C)O[C@@H](CCCl)c1ccccc1 1691587 TZGSPUYRMKYMEN-LBPRGKRZSA-N 212.720 3.782 50 50 BHGA in-vitro O=C(Cl)c1ccc(-c2ccccc2)cc1 2242600 JPVUWCPKMYXOKW-UHFFFAOYSA-N 216.667 3.733 50 50 BHGA in-vitro CC(C)(C)[Si](C)(C)OC1=CCCCO1 169876383 RBKFRODDAPGVLP-UHFFFAOYSA-N 214.381 3.660 50 50 BHGA CCCCOc1ccc(N=C=S)cc1 15444508 QVAMIJSFEORYOS-UHFFFAOYSA-N 207.298 3.600 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1cccc(C=O)c1 195871045 AAEJMRFPMLLTIX-UHFFFAOYSA-N 236.387 3.883 50 50 BHGA in-vitro FC(F)(F)[C@@H](Br)c1cccs1 40282064 YWMFCECTXQCCPY-YFKPBYRVSA-N 245.063 3.746 50 50 BHGA in-vitro CCCC[C@@H](C)C(=O)OC(=O)[C@H](C)CCCC 100508576 KRFHNSRRDDKHDT-VXGBXAGGSA-N 242.359 3.709 50 50 BHGA COc1ccc(-c2ncc(CCl)s2)cc1 22864679 JJGPXZIRNYOGPJ-UHFFFAOYSA-N 239.727 3.558 50 50 BHGA N#CC(C#N)=C(CCCCl)c1ccccc1 2171777 VHBUBBJWAPUXHG-UHFFFAOYSA-N 230.698 3.506 50 50 BHGA BrC1CCC2(CCCC2)CC1 161392490 HANPPERVQTXBFL-UHFFFAOYSA-N 217.150 3.884 50 50 BHGA N#C/C(=C\c1cccnc1)c1c[nH]c2ccccc12 39190551 YMYYQRZCCKBFBE-MDWZMJQESA-N 245.285 3.627 50 50 BHGA in-vitro ClC[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 71786861 JMHBQFIUGVZQSW-RKDXNWHRSA-N 235.541 3.813 50 50 BHGA ClCc1csc(Nc2ccccc2)n1 3245228 MTTZCPPLWMZEJL-UHFFFAOYSA-N 224.716 3.626 50 50 BHGA in-vitro Fc1c(N=C=S)ccc(Cl)c1Cl 585681201 BKQUSECQDJWGCO-UHFFFAOYSA-N 222.071 3.867 50 50 BHGA FC(F)(F)c1ccc2oc(CCl)nc2c1 78210770 PSLXDVMPZACQOM-UHFFFAOYSA-N 235.592 3.585 50 50 BHGA in-vitro CCCCCc1ccc(C(=O)Cl)cc1 2140821 FBBRKYLXMNQFQU-UHFFFAOYSA-N 210.704 3.798 50 50 BHGA biogenic Cc1cc(CBr)c(F)cc1Cl 306820100 DHWSDEJNWRKEGW-UHFFFAOYSA-N 237.499 3.682 50 50 BHGA CC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)Cl 40451373 KYJQNYATXHJZNF-GFCCVEGCSA-N 240.730 3.733 50 50 BHGA O=C(Cl)Cc1ccc(-c2ccccc2)cc1 47219200 HWTMLSYLXGLSDF-UHFFFAOYSA-N 230.694 3.662 50 50 BHGA CC(=C(C#N)C#N)c1cccc(C(F)(F)F)c1 8873860 XTYQJOQOFSLCKX-UHFFFAOYSA-N 236.196 3.526 50 50 BHGA ClCc1csc(-c2cccs2)n1 158695 CGJJBHKYGNSTDK-UHFFFAOYSA-N 215.730 3.610 50 50 BHGA in-vitro Fc1cc(Cl)c(CCl)cc1Cl 263623108 DSCBFHCCJFNPLZ-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA CSc1nc2ccc(CCl)cc2s1 144622492 SKUIIRDOHFVYAI-UHFFFAOYSA-N 229.757 3.757 50 50 BHGA CSc1ccc(/C(Cl)=C/C#N)cc1 86097046 VRHKLXMKKZYRQV-POHAHGRESA-N 209.701 3.512 50 50 BHGA CC(C)P(c1ccccc1)c1ccccc1 1765052 LLZAIAIZAVMQIG-UHFFFAOYSA-N 228.275 3.528 50 50 BHGA in-vitro COc1ccc2cc(CCl)c(Cl)nc2c1 3394113 ICHNEESGHIDYMZ-UHFFFAOYSA-N 242.105 3.636 50 50 BHGA ClCc1nc2ccccc2n1-c1ccccc1 20592512 TYOBCMJTBPLYGR-UHFFFAOYSA-N 242.709 3.764 50 50 BHGA in-vitro N#C/C(=C(\C#N)c1ccccc1)c1ccccc1 284527 VFBJMPNFKOMEEW-NXVVXOECSA-N 230.270 3.645 50 50 BHGA Fc1c(Cl)cc(N=C=S)cc1Cl 31829496 IBUYCHXOCIFZBX-UHFFFAOYSA-N 222.071 3.867 50 50 BHGA O=C(Cl)c1cc(Cl)cc(F)c1Cl 263624730 SYXDNOULCSNVOH-UHFFFAOYSA-N 227.449 3.512 50 50 BHGA FC(F)=C(F)CCCCBr 2572590 YSTVLPSZAHXMQI-UHFFFAOYSA-N 217.028 3.629 50 50 BHGA biogenic,in-vitro CC(C)(C)[Si](C)(C)OCCCCCCN 196186808 NYXJYUIGQLUHGX-UHFFFAOYSA-N 231.456 3.527 50 50 BHGA Cn1cccc1/C=C(/C#N)c1ccc(Cl)cc1 4568983 HAINTMPOKDOZDV-XFXZXTDPSA-N 242.709 3.743 50 50 BHGA CCCC[C@H](C)C(=O)OC(=O)[C@H](C)CCCC 100508566 KRFHNSRRDDKHDT-TXEJJXNPSA-N 242.359 3.709 50 50 BHGA S=C=Nc1ccc2c(c1)Cc1ccccc1-2 2513225 UBBQVOKVPNPBNZ-UHFFFAOYSA-N 223.300 3.992 50 50 BHGA CCN1/C(=C/C=C(\C)C=O)Sc2ccccc21 4948316 BPQZBICCGZSSDU-GZESYCOQSA-N 245.347 3.605 50 50 BHGA CC(C)(C)c1ccc2oc(CCl)nc2c1 3883642 ISCZMFMELFUQGR-UHFFFAOYSA-N 223.703 3.864 50 50 BHGA O=C(Cl)/C=C/c1c(Cl)cccc1Cl 1623573 RTQDVNBXNNTDDK-SNAWJCMRSA-N 235.497 3.772 50 50 BHGA O=C(Cl)c1cccc(C(F)(F)F)c1Cl 2527753 PKEMXTIVOBWBNO-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA in-vitro O=C/C=C\C=C\C=C\C=C\C=C\c1ccco1 5045482 MQAHHVMXZVVFFJ-FRTZCFOYSA-N 226.275 3.717 50 50 BHGA O=C(Cl)c1ccccc1OCc1ccccc1 40451435 ITDFRSCTQXOUAC-UHFFFAOYSA-N 246.693 3.645 50 50 BHGA CC(C)(C)[Si](C)(C)OCc1ccoc1 196201338 JXLODBQIKOKJRE-UHFFFAOYSA-N 212.365 3.801 50 50 BHGA O=C=NC1CCCCCCCCCCC1 6691854 GTFYIRDGTIUCAE-UHFFFAOYSA-N 209.333 3.996 50 50 BHGA CC(C)(C)[Si](C)(C)OCc1ccc(N)cc1 196112264 WYUUHAORVPRPFB-UHFFFAOYSA-N 237.419 3.791 50 50 BHGA in-vitro N#C/C(=C\c1ccccc1)c1ccc(F)cc1 1597787 AWMKCXLADSGTQN-GXDHUFHOSA-N 223.250 3.890 50 50 BHGA ClCc1c(Cl)cccc1Br 238513662 HRVYAIYLXJCQBY-UHFFFAOYSA-N 239.927 3.841 50 50 BHGA CCc1ccc([C@H](C#N)O[Si](C)(C)C)cc1 197414675 DHEFGKJWEPVLHP-ZDUSSCGKSA-N 233.387 3.665 50 50 BHGA O=C(Cl)c1c(Cl)cccc1C(F)(F)F 38529621 ZGPUACVHATTXEX-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA C[Si](C)(C)Oc1ccc(Br)cc1 169746427 HWKPTBHJWBSOOP-UHFFFAOYSA-N 245.192 3.663 50 50 BHGA Cc1cc(Cl)c(Cl)c(C(=O)CCl)c1 263623306 GJLVIGJGMOPCIK-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA CCCCC(=C(C#N)C#N)c1ccccc1 2171829 XWDDIXZWQFVTCI-UHFFFAOYSA-N 210.280 3.678 50 50 BHGA Cc1c(Cl)cc(Cl)cc1C(=O)Cl 263624707 STPLLSHBNCZUCH-UHFFFAOYSA-N 223.486 3.681 50 50 BHGA N#C/C(=C\c1cccc(Cl)c1)c1ccccn1 4547670 OFMIOHQSCUEUNL-XYOKQWHBSA-N 240.693 3.799 50 50 BHGA CC[C@@H](Oc1cccc2ccccc12)C(=O)Cl 40451378 RERJKJSMEAWORN-GFCCVEGCSA-N 248.709 3.763 50 50 BHGA C[Si](C)(C)OC1=C(O[Si](C)(C)C)CC1 169747817 WOBRFSDEZREQAB-UHFFFAOYSA-N 230.456 3.695 50 50 BHGA in-vitro O=C(Cl)c1c(F)cc(Cl)cc1Cl 263623426 HKFIXBJEFFGPRZ-UHFFFAOYSA-N 227.449 3.512 50 50 BHGA O=C(CCl)N(c1ccccc1)c1ccccc1 873860 GRIXINIGTYIHSN-UHFFFAOYSA-N 245.709 3.590 50 50 BHGA Fc1ccc(C(F)(F)F)cc1CCl 2559528 OZGWDDBROIXNRQ-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA in-vitro [C-]#[N+]Cc1cccc(Oc2ccccc2)c1 100000363 WSRHSSIEQNWYME-UHFFFAOYSA-N 209.248 3.898 50 50 BHGA in-vitro Cc1nc2ccccc2c(Cl)c1CCCl 336625 PQDVRCSZKVSKGV-UHFFFAOYSA-N 240.133 3.978 50 50 BHGA CCc1ccc([C@@H](C#N)O[Si](C)(C)C)cc1 197414660 DHEFGKJWEPVLHP-CYBMUJFWSA-N 233.387 3.665 50 50 BHGA N#CSCCCOc1ccc2ccccc2c1 3106051 RWSDVACBGIDRDM-UHFFFAOYSA-N 243.331 3.823 50 50 BHGA CCCCOc1ccc(Cl)cc1C(=O)Cl 33435079 SKBXLNZBGAILBW-UHFFFAOYSA-N 247.121 3.898 50 50 BHGA Fc1cc(C(F)(F)F)ccc1CCl 71790223 OOGWHXAQEMXPLR-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA in-vitro Cc1cc(Cl)c(C(=O)CCl)c(Cl)c1 263623048 DFKNBPNNUUDKJB-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA Cc1cccc(-c2nc(CCl)c(C)o2)c1 215792 CZFJTOSWONKWDN-UHFFFAOYSA-N 221.687 3.697 50 50 BHGA Cc1cc(C(=O)CCl)cc(Cl)c1Cl 263622826 BFYZHBGIJZSOLD-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA O=CC1=C(Cl)c2cc(Cl)ccc2SC1 165141 DJCRJCROFFNHCT-UHFFFAOYSA-N 245.130 3.595 50 50 BHGA in-vitro Cc1cc(Br)cc(C)c1N=C=S 2390095 CAANWLMQHPUROR-UHFFFAOYSA-N 242.141 3.800 50 50 BHGA CO[Si](OC)(C1CCCC1)C1CCCC1 169747577 JWCYDYZLEAQGJJ-UHFFFAOYSA-N 228.408 3.610 50 50 BHGA in-vitro COc1ccccc1-c1ncc(CCl)s1 19090632 FBESPAFVHHRXEJ-UHFFFAOYSA-N 239.727 3.558 50 50 BHGA BrCc1ccc(-c2ccccn2)cc1 8698267 FCLQGHNSQXFQEG-UHFFFAOYSA-N 248.123 3.644 50 50 BHGA in-vitro Nc1cccc(SSc2cccc(N)c2)c1 38327953 HZCSIYBMJICNFY-UHFFFAOYSA-N 248.376 3.650 50 50 BHGA in-vitro FC(F)(F)c1cccc(CBr)c1 2242588 MYYYZNVAUZVXBO-UHFFFAOYSA-N 239.034 3.600 50 50 BHGA in-vitro Clc1cccc(Cl)c1CBr 1609561 PDFGFQUSSYSWNI-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA in-vitro CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Cl 39432153 IYMJEVJJIPCPRK-SNVBAGLBSA-N 247.121 3.571 50 50 BHGA CC[C@H](Oc1ccc2ccccc2c1)C(=O)Cl 40451379 OPEWCTKDPYRJQF-ZDUSSCGKSA-N 248.709 3.763 50 50 BHGA Cc1ccc2cc(CCl)c(Cl)nc2c1 336524 LWRDXXNOYQZAEZ-UHFFFAOYSA-N 226.106 3.935 50 50 BHGA in-vitro Clc1cc(Cl)cc(CBr)c1 57814822 CTJIGYSODYOMGI-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA Cc1cc(C(=O)Cl)cc(Cl)c1Cl 263625126 WZKAEOHHVADGOR-UHFFFAOYSA-N 223.486 3.681 50 50 BHGA BrCC12CC3CC(CC(C3)C1)C2 1297870 RLRBYCAVZBQANU-UHFFFAOYSA-N 229.161 3.598 50 50 BHGA in-vitro CC(C)CC(=C(C#N)C#N)c1ccccc1 396742 KHRRFSXZJNTQMJ-UHFFFAOYSA-N 210.280 3.533 50 50 BHGA CC=C(O[Si](C)(C)C)O[Si](C)(C)C 170009768 IUFWLBQYLXTUFY-UHFFFAOYSA-N 218.445 3.551 50 50 BHGA C[Si](C)(Oc1ccccc1)Oc1ccccc1 169807339 SWLVAJXQIOKFSJ-UHFFFAOYSA-N 244.366 3.846 50 50 BHGA ClCc1nnc(-c2ccc3ccccc3c2)o1 163468 UMNGOHKHXNBZFZ-UHFFFAOYSA-N 244.681 3.629 50 50 BHGA N#C/C(=C\c1ccccc1Cl)c1ccccn1 4547668 NXAQTIAHPHVIIE-FMIVXFBMSA-N 240.693 3.799 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1ccc(F)c(O)c1 196901405 CNVNEFXWUKUINN-UHFFFAOYSA-N 242.366 3.915 50 50 BHGA O=C(Cl)c1cccc(Cl)c1C(F)(F)F 67800071 SFYQTXFSGQMRSM-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA Cc1cc(C)c(CCl)cc1CCl 163987 JALHTPIEJQBDEN-UHFFFAOYSA-N 203.112 3.781 50 50 BHGA biogenic,in-vitro CCCC[C@H](Br)C(F)(F)F 71791981 XTNYYJIBJTVSLP-YFKPBYRVSA-N 219.044 3.502 50 50 BHGA CC(C)N(C(C)C)P(Cl)OCCC#N 72399617 QWTBDIBOOIAZEF-UHFFFAOYSA-N 236.683 3.501 50 50 BHGA in-vitro OCc1cccc(S(F)(F)(F)(F)F)c1 97949948 ZKRNAZYJHXJIFR-UHFFFAOYSA-N 234.189 3.836 50 50 BHGA in-vitro CC(C)(OC(=O)Cl)C(Cl)(Cl)Cl 2242613 GMELMFSDPDSXOZ-UHFFFAOYSA-N 239.913 3.511 50 50 BHGA Nc1ccc(S(F)(F)(F)(F)F)cc1O 100391582 UKCDUGBHFWVMNE-UHFFFAOYSA-N 235.177 3.632 50 50 BHGA CC(C)[C@H](C(=O)Cl)c1ccc(Cl)cc1 5018763 BWPYAVCZZUTOBY-JTQLQIEISA-N 231.122 3.845 50 50 BHGA in-vitro Cc1c(Cl)cccc1CBr 114461115 ORGIHYDPMFXTEZ-UHFFFAOYSA-N 219.509 3.543 50 50 BHGA in-vitro C[Si](C)(C)ON([Si](C)(C)C)[Si](C)(C)C 169945500 WEFDIXZMPUWSQQ-UHFFFAOYSA-N 249.579 3.725 50 50 BHGA Cc1ccccc1-c1nc(CCl)c(C)o1 3913593 KWEPCZHWGYVENO-UHFFFAOYSA-N 221.687 3.697 50 50 BHGA in-vitro O=C(Cl)C1c2ccccc2Oc2ccccc21 2574156 JYRSCMLJPXJTLI-UHFFFAOYSA-N 244.677 3.690 50 50 BHGA CC1(C)Cc2c(ccc3ccccc23)/C(=C/C#N)N1 128376 NWMOJBLCQMUUTA-SXGWCWSVSA-N 248.329 3.629 50 50 BHGA N#C/C(=C/c1ccc(F)cc1)c1ccc(C#N)cc1 16393727 NRHSLFLLOYKNEL-DHDCSXOGSA-N 248.260 3.762 50 50 BHGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl 2504716 KIUPCUCGVCGPPA-KXUCPTDWSA-N 218.724 3.823 50 50 BHGA CC(C)(C)[Si](C)(C)OC1(CC=O)CCC1 216386698 NAHGSTDYJQAXNQ-UHFFFAOYSA-N 228.408 3.520 50 50 BHGA in-vitro O=C(Cl)c1ccc(SC(F)(F)F)cc1 2382351 BCMFTOCCLOAGBP-UHFFFAOYSA-N 240.633 3.678 50 50 BHGA in-vitro CC(C)c1ccc(CBr)cc1 1845092 YXTHBZLABLYGEE-UHFFFAOYSA-N 213.118 3.705 50 50 BHGA Cc1ccc(N=C=S)cc1C(F)(F)F 2585390 VMHJLSOAWHGDMT-UHFFFAOYSA-N 217.215 3.748 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCCO1 169836215 LQJRHVFCBVIWHZ-SNVBAGLBSA-N 216.397 3.535 50 50 BHGA Fc1cc(F)c(Cl)c(CBr)c1 306578648 MPXMVIRPDAVXJO-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA N#C/C=C(\Cl)c1ccc(Br)cc1 2528666 LDXSSEKZKTYYOQ-UITAMQMPSA-N 242.503 3.552 50 50 BHGA BrCc1cccc2ccsc12 12370197 CBWUJYGWPDPIFY-UHFFFAOYSA-N 227.126 3.796 50 50 BHGA in-vitro Cc1c(Cl)cc(C(=O)CCl)cc1Cl 263624956 VOQSIZVMOGJRKK-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA S=C=NCC(c1ccccc1)c1ccccc1 2528118 HCMJWOGOISXSDL-UHFFFAOYSA-N 239.343 3.921 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCCC1=O 170162378 HOZXDUOXGSOLJB-LLVKDONJSA-N 228.408 3.520 50 50 BHGA Fc1ccc(N=C=S)cc1C(F)(F)F 2583616 QBKIGUJFPYMZPS-UHFFFAOYSA-N 221.178 3.579 50 50 BHGA in-vitro BrCCc1cccc2ccccc12 2384906 GPHCPUFIWQJZOI-UHFFFAOYSA-N 235.124 3.777 50 50 BHGA in-vitro ClCc1nc(Cl)c2cc(Cl)ccc2n1 59072628 BLJFNIZOARXJLZ-UHFFFAOYSA-N 247.512 3.675 50 50 BHGA CC(C)c1cccc(CBr)c1 80771225 GYFDUIHVBNYYFE-UHFFFAOYSA-N 213.118 3.705 50 50 BHGA in-vitro Cc1oc(-c2ccccc2)cc1C(=O)Cl 2559283 UJABSZITRMATFL-UHFFFAOYSA-N 220.655 3.634 50 50 BHGA in-vitro CC(C)(C)c1ccc(/C(Cl)=C/C=O)cc1 41241783 DRBVXRZJVCWQMN-WQLSENKSSA-N 222.715 3.763 50 50 BHGA CC(C)[C@H](CCO)CO[Si](C)(C)C(C)(C)C 169833201 RBSUKFCEHKRKET-GFCCVEGCSA-N 246.467 3.663 50 50 BHGA C[C@H](CCl)OC(=O)Nc1ccc(Cl)cc1 2171890 VNDJQVIWGVAMNJ-SSDOTTSWSA-N 248.109 3.516 50 50 BHGA S=C=Nc1ccc(Cl)cc1Cl 164725 WVBNZZHGECFCSH-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro BrCc1ccc(C23CC(C2)C3)cc1 238010085 AHLCEEWFXDANTP-UHFFFAOYSA-N 237.140 3.633 50 50 BHGA CC(C)(C)[Si](C)(C)OCCCCl 169747163 LROUBCOBLAPPAT-UHFFFAOYSA-N 208.805 3.637 50 50 BHGA in-vitro CCCCCCCCCCOC(=O)CCl 1848548 WLAYVQKPZABXSY-UHFFFAOYSA-N 234.767 3.909 50 50 BHGA Cc1cc(C(=O)Cl)c(Cl)cc1Cl 139945297 GAIISVDWEWFPBR-UHFFFAOYSA-N 223.486 3.681 50 50 BHGA CC(C)(C)P(c1ccccc1)c1ccccc1 1765042 QZUPHAGRBBOLTB-UHFFFAOYSA-N 242.302 3.918 50 50 BHGA O=C(Cl)c1ccc(Cl)c(C(F)(F)F)c1 2527756 ODPJRBXAGAUQAW-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA C[C@@H](N=C=S)c1ccc(Br)cc1 2548099 YSTNXBHZXWCFQE-SSDOTTSWSA-N 242.141 3.613 50 50 BHGA CCCCCCCC[Si](C)(OC)OC 170159063 GOIPELYWYGMEFQ-UHFFFAOYSA-N 218.413 3.712 50 50 BHGA CCCC[C@H](CC)CI 54962173 WNPGSEJRPYSCDQ-QMMMGPOBSA-N 240.128 3.638 50 50 BHGA CC(C)(C)[Si](C)(C)Oc1ccc(O)cc1 169747363 KZTVHIZALLBXMO-UHFFFAOYSA-N 224.376 3.776 50 50 BHGA in-vitro ClCCC[C@]1(c2ccccc2)CCCO1 45069879 PAMNFYLKSCQFCH-CYBMUJFWSA-N 224.731 3.711 50 50 BHGA COc1cccc(-c2ncc(CCl)s2)c1 19090636 PQIGIMZHVFNBOA-UHFFFAOYSA-N 239.727 3.558 50 50 BHGA Nc1ccc(S(F)(F)(F)(F)F)cc1 95676549 MZGZUHNSMNNSRJ-UHFFFAOYSA-N 219.178 3.926 50 50 BHGA in-vitro Cc1cc(C(=O)CCl)c(C)n1-c1ccccc1 126135 QSYYGYUKZQOGRQ-UHFFFAOYSA-N 247.725 3.516 50 50 BHGA in-vitro c1coc(CSSCc2ccco2)c1 2037825 CBJPZHSWLMJQRI-UHFFFAOYSA-N 226.322 3.954 50 50 BHGA endogenous,in-man C=C(/C=C\OC)O[Si](C)(C)C(C)(C)C 195786076 ZFQOHWZWPLWDDF-HJWRWDBZSA-N 214.381 3.682 50 50 BHGA ClCc1cc2ccccc2nc1Cl 2563889 UOIJHUIOTFDGNA-UHFFFAOYSA-N 212.079 3.627 50 50 BHGA in-vitro CCCC[C@@H](Br)C(F)(F)F 71791982 XTNYYJIBJTVSLP-RXMQYKEDSA-N 219.044 3.502 50 50 BHGA FC(F)c1ccc(CBr)cc1 91304951 MVSMLXCLMRPXFA-UHFFFAOYSA-N 221.044 3.519 50 50 BHGA in-vitro Cc1ccccc1-c1nc(CCl)cs1 2569100 QSHYGLAZPRJAEZ-UHFFFAOYSA-N 223.728 3.857 50 50 BHGA in-vitro Cc1ccc(C(C)(C)CBr)cc1 49707268 BPHOXTJTIIKFFB-UHFFFAOYSA-N 227.145 3.668 50 50 BHGA Fc1cc(CCl)cc(C(F)(F)F)c1 54967611 UNZBMTCZGLEHHO-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA C=CCc1ccccc1O[Si](C)(C)C 169745016 LJIXCUHZKDSCQX-UHFFFAOYSA-N 206.361 3.629 50 50 BHGA O=C(CCl)c1cc(Cl)cc(F)c1Cl 263624032 MVNYENPUUZIHED-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA C[C@@H](N=C=S)C12CC3CC(CC(C3)C1)C2 4702279 NPQQRDNZDAFARW-HIVKSXORSA-N 221.369 3.694 50 50 BHGA ClCc1ccc(Cl)c(Br)c1 116945850 WKNSUGXSGOEDMW-UHFFFAOYSA-N 239.927 3.841 50 50 BHGA Cc1csc(/C(C#N)=C/c2sccc2C)n1 4491851 FJPILVKXEWAUEP-BJMVGYQFSA-N 246.360 3.886 50 50 BHGA COc1cc(C)c(/C=C/C(C)=C/C=O)c(C)c1C 22062398 NSNAPUXYLZDDGQ-HRCSPUOPSA-N 244.334 3.779 50 50 BHGA in-vitro N[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1 1665993 FMWYBZUTYVPNJY-KBPBESRZSA-N 231.726 3.667 50 50 BHGA biogenic,in-vitro Fc1cc(Cl)c(CCl)c(Cl)c1 263622756 AQCWOHXSVUYLPE-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA O=C(Cl)Sc1ccc(Cl)cc1 395095 LCPSYCACCNXGDA-UHFFFAOYSA-N 207.081 3.791 50 50 BHGA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl 4262231 XOPLTFUYFXWFGB-OUAUKWLOSA-N 204.741 3.660 50 50 BHGA Fc1cccc(Cl)c1C(Cl)Cl 2242615 LQIXIKRJISFVEC-UHFFFAOYSA-N 213.466 3.955 50 50 BHGA in-vitro Nc1cc(N)cc(S(F)(F)(F)(F)F)c1 137675802 JVSCTTTZZGSNEJ-UHFFFAOYSA-N 234.193 3.508 50 50 BHGA Clc1ccccc1OCCCBr 4291191 GRPVXZDDHARJSD-UHFFFAOYSA-N 249.535 3.504 50 50 BHGA C[Si](C)(CCl)Oc1ccccc1Cl 195755007 SOGDRQNKMITNBY-UHFFFAOYSA-N 235.186 3.702 50 50 BHGA N#C/C(=C\c1ccccc1)c1cccs1 334371 VNANLFNRBNAHAA-FMIVXFBMSA-N 211.289 3.812 50 50 BHGA CCc1ccc(N=C=S)c(Br)c1 40571807 ALUMYSWTGKEARS-UHFFFAOYSA-N 242.141 3.746 50 50 BHGA CC/C(C)=C(\C#N)C(=O)Nc1ccc(Cl)cc1 373868 WCNRBILWGLFXFX-FMIVXFBMSA-N 248.713 3.529 50 50 BHGA O=C=NCCC(c1ccccc1)c1ccccc1 44559752 BYTUPWXAZYPWKE-UHFFFAOYSA-N 237.302 3.544 50 50 BHGA Cc1cc(Cl)cc(Cl)c1C(=O)CCl 263623990 MKQDKGVUHZPDMD-UHFFFAOYSA-N 237.513 3.723 50 50 BHGA Cc1cccc(OC(F)(F)[C@H](F)Cl)c1 1655640 IUFHPFGLGWPGIY-QMMMGPOBSA-N 224.609 3.501 50 50 BHGA ClCc1csc(-c2ccccc2)n1 158877 SVEGSFSFMLCNFF-UHFFFAOYSA-N 209.701 3.549 50 50 BHGA in-vitro FC(F)(F)[C@@H](Br)c1ccccc1 58143597 IRICHAOGAOFEQI-ZETCQYMHSA-N 239.034 3.685 50 50 BHGA in-vitro S=C=Nc1ccc(Cl)c(Cl)c1 164744 OSBIEFWIIINTNJ-UHFFFAOYSA-N 204.081 3.728 50 50 BHGA in-vitro O=C=Nc1ccc(Br)c2ccccc12 2541506 VWVGFGCFRGMOLK-UHFFFAOYSA-N 248.079 3.570 50 50 BHGA C=C[C@]1(C)[C@H]2C=CC[C@H]2[C@H]1O[Si](C)(C)C 169831146 MOWYEHRFZQNBOD-YVECIDJPSA-N 222.404 3.605 50 50 BHGA ClC1c2ccccc2-c2ccccc21 1689924 CVCQMAKDIKSUHX-UHFFFAOYSA-N 200.668 3.995 50 50 BHGA in-vitro CC(C)O[C@H](CCCl)c1ccccc1 2043903 TZGSPUYRMKYMEN-GFCCVEGCSA-N 212.720 3.782 50 50 BHGA in-vitro COc1ccc2cc([C@H](C)C(=O)Cl)ccc2c1 6249733 UODROGXCIVAQDJ-VIFPVBQESA-N 248.709 3.717 50 50 BHGA ClCCCCCCCBr 100022239 ZMAOWMBSLZYILL-UHFFFAOYSA-N 213.546 3.571 50 50 BHGA in-vitro O=C(c1ccccc1)c1ccc(N=C=S)cc1 2565854 FMSYGGOEIOBUOR-UHFFFAOYSA-N 239.299 3.652 50 50 BHGA BrCC#Cc1cccc2ccccc12 71769559 LHDMQJTYLOVTPS-UHFFFAOYSA-N 245.119 3.586 50 50 BHGA Cc1ccc(Nc2nc(CCl)cs2)cc1 3289289 TZIVPXFICWZCJM-UHFFFAOYSA-N 238.743 3.934 50 50 BHGA CCOc1ccc2ccccc2c1C=C(C#N)C#N 438531 XHSUZJSVXSWMNA-UHFFFAOYSA-N 248.285 3.669 50 50 BHGA Clc1ccc(CBr)cc1Cl 152903 XLWSBDFQAJXCQX-UHFFFAOYSA-N 239.927 3.888 50 50 BHGA in-vitro CO[C@H](CCCl)c1ccc(Cl)cc1 2044171 WEMSZIUGMVBXTP-SNVBAGLBSA-N 219.111 3.656 50 50 BHGA in-vitro Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 4955460 RSTXIJPCYSQOFJ-DHZHZOJOSA-N 249.273 3.529 50 50 BHGA Cc1cc(Cl)cc(C(=O)Cl)c1Cl 263623880 LNPHSTBXKRWVJU-UHFFFAOYSA-N 223.486 3.681 50 50 BHGA N#CC(C#N)=Cc1cccc(Oc2ccccc2)c1 49763 ZCCNLVKFRGRFFQ-UHFFFAOYSA-N 246.269 3.909 50 50 BHGA C/C(C=O)=C\c1ccc(C(C)(C)C)cc1 5183790 ZZSXZEFWZXSQPX-PKNBQFBNSA-N 202.297 3.586 50 50 BHGA S=C=NCc1ccc(Cl)c(Cl)c1 1755947 DPSSHXWTNIGVMQ-UHFFFAOYSA-N 218.108 3.596 50 50 BHGA in-vitro CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cl 4262409 KIUPCUCGVCGPPA-AEJSXWLSSA-N 218.724 3.823 50 50 BHGA N#C/C(=C\c1ccco1)c1nc(C2CC2)cs1 4020816 JYLAXXWBHJRTFS-UXBLZVDNSA-N 242.303 3.678 50 50 BHGA ClCc1cc(Br)ccc1Cl 57453091 XEFCTCLLJDRHSB-UHFFFAOYSA-N 239.927 3.841 50 50 BHGA ClCC[C@H](Br)c1ccccc1 100012313 SDWVTCNYPZSVQY-VIFPVBQESA-N 233.536 3.752 50 50 BHGA in-vitro O=C(CCl)n1c2ccccc2c2ccccc21 2173439 NIZUEICMEHKRKX-UHFFFAOYSA-N 243.693 3.674 50 50 BHGA Fc1ccc(Cl)c(F)c1CBr 2381667 SNOJSRMVFAKBEG-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA biogenic CC(C)N(C(C)C)P(Cl)Cl 72399692 UPPVRFOGRCBSJP-UHFFFAOYSA-N 202.065 3.810 50 50 BHGA in-vitro N#CSCc1c(Cl)cccc1Cl 1707757 IBWINXSTXHFYMY-UHFFFAOYSA-N 218.108 3.708 50 50 BHGA in-vitro CC1=C(/C=C/C(C)=C/C#N)C(C)(C)C[C@@H](O)C1 22063197 CMCVROFOKTXDFK-NQGHMSKXSA-N 231.339 3.510 50 50 BHGA in-vitro COc1ccc(/C=C(/C#N)c2ccccc2)cc1 405268 VQADOVBGJXESGV-PTNGSMBKSA-N 235.286 3.759 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2C=C[C@H]1C2 169832574 FSYULIDWIYPHGX-SDDRHHMPSA-N 224.420 3.973 50 50 BHGA CC(C)(C)c1cc2c(cc1SC#N)CCN2 44126463 LMTWMSBUSFHLKT-UHFFFAOYSA-N 232.352 3.525 50 50 BHGA CCCCCOc1ccc(N=C=S)cc1 71773020 BPGSKKGRCAWNKO-UHFFFAOYSA-N 221.325 3.990 50 50 BHGA CCCCC/C(C=O)=C\c1ccc(OC)c(O)c1 5045455 QVZYUGXVGNAJIL-UKTHLTGXSA-N 248.322 3.563 50 50 BHGA Fc1cc(Cl)cc(CCl)c1Cl 263622717 AFJIKXTXOHUZFY-UHFFFAOYSA-N 213.466 3.871 50 50 BHGA CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCl 14588588 XOPLTFUYFXWFGB-AXFHLTTASA-N 204.741 3.660 50 50 BHGA N#C/C(=C/c1cccnc1)c1ccc(Cl)cc1 388878 DCVHVFBESVJSBX-JYRVWZFOSA-N 240.693 3.799 50 50 BHGA ClCc1cc2cc(Br)ccc2o1 4277340 IGVKTJSZEQNSNH-UHFFFAOYSA-N 245.503 3.934 50 50 BHGA O=C(Cl)c1ccc(Oc2ccccc2)cc1 1995254 AOOZVQGGMFGGEE-UHFFFAOYSA-N 232.666 3.858 50 50 BHGA Cc1cccc(-c2nc(CCl)cs2)c1 2569101 QDKKLPBRPGKNLV-UHFFFAOYSA-N 223.728 3.857 50 50 BHGA in-vitro O[C@H]1CCCCCCCCCC[C@H]1Cl 4533016 ZQBSIIHTGXIKHM-NEPJUHHUSA-N 218.768 3.869 50 50 BHGA C[Si](C)(C)O[C@@H](c1ccccc1)C1(C#N)CC1 169829542 KKUUORKSWBYZHU-ZDUSSCGKSA-N 245.398 3.883 50 50 BHGA CC(C)(C)c1ccc(CBr)cc1 1731683 QZNQSIHCDAGZIA-UHFFFAOYSA-N 227.145 3.879 50 50 BHGA in-vitro CC[C@@H](C)c1ccc(NC(=O)CCCl)cc1 5714895 LNERRDGMCUENRC-SNVBAGLBSA-N 239.746 3.768 50 50 BHGA in-vitro COc1ccc(-c2csc(CCl)n2)cc1 22864660 JUCBSXJNOCRKMT-UHFFFAOYSA-N 239.727 3.558 50 50 BHGA CC(C)(C)[Si](C)(C)OC1(C=O)CCCCC1 196392690 MDZDYHVUXRKGQL-UHFFFAOYSA-N 242.435 3.910 50 50 BHGA N#C/C(=C\c1ccccc1F)c1ccccc1 106496 YUSXIPHHOFFICW-GXDHUFHOSA-N 223.250 3.890 50 50 BHGA Cc1cc(C)c(C)c(OCCCSC#N)c1 3106127 QNOHXRRQDUEZBR-UHFFFAOYSA-N 235.352 3.595 50 50 BHGA N#CSCCCCOc1ccccc1Cl 2885565 KJOLEQPIRPOBTN-UHFFFAOYSA-N 241.743 3.713 50 50 BHGA CC(C)(C)C(=O)C(C#N)=Cc1ccc(Cl)cc1 2040447906 ZDXXNHLQXKSQQN-UHFFFAOYSA-N 247.725 3.862 50 50 BHGA O=C(CCl)c1ccc(-c2ccccc2)cc1 1673521 IQEIGQFNDLINOT-UHFFFAOYSA-N 230.694 3.775 50 50 BHGA FC(F)(F)c1ccccc1CBr 2560389 TXVVVEUSVBLDED-UHFFFAOYSA-N 239.034 3.600 50 50 BHGA in-vitro Cc1cc(CCl)c(C)cc1CCl 1673618 UYRPOMMBPQHVMN-UHFFFAOYSA-N 203.112 3.781 50 50 BHGA biogenic [C-]#[N+]Cc1ccc(OCc2ccccc2)cc1 111847156 VEPZHOKYMAOKAK-UHFFFAOYSA-N 223.275 3.685 50 50 BHGA ClCc1cc(-c2ccccc2Cl)on1 1398571 UKBHBRICCXLWJZ-UHFFFAOYSA-N 228.078 3.734 50 50 BHGA in-vitro Cc1ccc2nc(/C(C#N)=C\c3ccco3)[nH]c2c1 5015418 YVIYLGQSCHPHFT-FLIBITNWSA-N 249.273 3.529 50 50 BHGA CCCCP(c1ccccc1)c1ccccc1 2146758 WXMZPPIDLJRXNK-UHFFFAOYSA-N 242.302 3.919 50 50 BHGA FC(F)c1ccccc1CBr 97436563 FWLGQGRZCBWBJT-UHFFFAOYSA-N 221.044 3.519 50 50 BHGA in-vitro O=C(c1ccccc1)[C@@H](Cl)c1ccccc1 1671883 RXDYOLRABMJTEF-ZDUSSCGKSA-N 230.694 3.849 50 50 BHGA O=C(Cl)c1cc(C(F)(F)F)ccc1Cl 2382353 FRARPACTAFPNNL-UHFFFAOYSA-N 243.011 3.738 50 50 BHGA in-vitro FC(F)(F)CCCCCBr 64270016 CNJBUMYNBDASSP-UHFFFAOYSA-N 219.044 3.504 50 50 BHGA C[C@H](OC(=O)CCl)c1ccc2ccccc2c1 5368625 YJHAEGJUCDYFJF-JTQLQIEISA-N 248.709 3.683 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@H]1CCCCO1 169836217 LQJRHVFCBVIWHZ-JTQLQIEISA-N 216.397 3.535 50 50 BHGA Fc1cc(F)c(CBr)cc1Cl 114410943 IEXJKFYACLAPDO-UHFFFAOYSA-N 241.462 3.513 50 50 BHGA N#C/C(=C\c1ccco1)c1ccc(Cl)cc1 72145 QRCXABRYUUSBED-DHZHZOJOSA-N 229.666 3.997 50 50 BHGA CCCCC/C(C=O)=C/c1ccccc1 1874357 HMKKIXGYKWDQSV-KAMYIIQDSA-N 202.297 3.849 50 50 BHGA in-vivo Cc1cc(C)c(N=C=S)c(Br)c1 2535819 DOTPUPXLOWXCGJ-UHFFFAOYSA-N 242.141 3.800 50 50 BHGA Cc1ccccc1P(Cl)c1ccccc1C 100009666 KAAGXBGJRWFWPT-UHFFFAOYSA-N 248.693 3.890 50 50 BHGA O=C(CCl)c1c(Cl)ccc(Cl)c1F 263623015 CVOWHRRJCCRTBK-UHFFFAOYSA-N 241.476 3.554 50 50 BHGA N#C/C(=C\c1cccs1)c1cccc(C#N)c1 2886806 PXGYUZISNOIJKP-MDWZMJQESA-N 236.299 3.684 50 50 BHGA CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)Cl 40451351 XMIAGQYHQFVNQC-SECBINFHSA-N 247.121 3.571 50 50 BHGA C[C@H](Cl)c1nc2ccccc2n1C(F)F 8012741 QHFAIRLCPGNDFH-LURJTMIESA-N 230.645 3.731 50 50 BHGA in-vitro O=C=Nc1c(Cl)cc(Cl)cc1Cl 164875 VDYWXVDWKFAUKE-UHFFFAOYSA-N 222.458 3.614 50 50 BHGA in-vitro O=C(CCCl)c1ccc(Cl)c(Cl)c1 16697475 ULARDXFALKMJAJ-UHFFFAOYSA-N 237.513 3.805 50 50 BHGA CC(C)(C)[Si](C)(C)O[C@@H](C=O)C1CCCC1 616582945 QSEQUFHRHDHVDY-LBPRGKRZSA-N 242.435 3.766 50 50 BHGA Fc1ccc(N=C=S)c(C(F)(F)F)c1 31829464 QCVBNSGYHVJXEO-UHFFFAOYSA-N 221.178 3.579 50 50 BHGA Fc1ccc(CCl)cc1C(F)(F)F 2559514 LSKZGATXKOIZNR-UHFFFAOYSA-N 212.573 3.583 50 50 BHGA FC(F)(F)C1CCC(CBr)CC1 82184559 OLFWEZJQUZTRPE-UHFFFAOYSA-N 245.082 3.750 50 50 BHGA BrCCCCCc1ccccc1 1726902 QICUPOFVENZWSC-UHFFFAOYSA-N 227.145 3.794 50 50 BHGA in-vitro