smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C=C/P(=O)(c1ccccc1)c1ccccc1 392876 FRJXDOSETLXDIQ-XNJYKOPJSA-N 242.258 3.534 50 40 BHGB O[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1 1720222 ZCOFOBIIOQWUDE-KGLIPLIRSA-N 232.710 3.700 50 40 BHGB Cc1cc(C)c(NC(=O)CCCl)c(Cl)c1 1777582 DIOREOYQCMOQRZ-UHFFFAOYSA-N 246.137 3.524 50 40 BHGB FC(F)(F)c1ccc2c(c1)[C@@H](Cl)CC2 149000569 GSDGOTCNZNJXPN-VIFPVBQESA-N 220.621 3.932 50 40 BHGB N#C/C(=C/c1ccc(O)cc1)c1ccccc1F 33664383 MTJOMTLKJVUBHP-XFXZXTDPSA-N 239.249 3.595 50 40 BHGB CC(C)Oc1ccc2cc(CCl)cnc2c1 72226736 OQEBVQQUCQMZOT-UHFFFAOYSA-N 235.714 3.761 50 40 BHGB Cc1ccc2sc(CCl)nc2c1C 95950096 PZHBMKOPLUMSIH-UHFFFAOYSA-N 211.717 3.652 50 40 BHGB CC[C@@H](C)c1ccc(C(=O)CCl)cc1 3276770 GBKATGIDLDKFDX-SECBINFHSA-N 210.704 3.622 50 40 BHGB in-vitro CCCSc1cccc(C(=O)Cl)c1 95739464 HIIZUUYKVGZUQY-UHFFFAOYSA-N 214.717 3.568 50 40 BHGB CSc1cccc(C(=O)C(C)(C)CCl)c1 382674039 JCBJEOLFLJGEEL-UHFFFAOYSA-N 242.771 3.856 50 40 BHGB CCCCCC[C@@H](C)I 2034769 XFLOGTUFKZCFTK-MRVPVSSYSA-N 240.128 3.780 50 40 BHGB N#Cc1cccc(C(=O)CCCCCCl)c1 43212799 NGXQNSABIMWNEN-UHFFFAOYSA-N 235.714 3.540 50 40 BHGB CCCC[C@@H](I)CCC 95887400 RZONQKSTULVBKR-QMMMGPOBSA-N 240.128 3.780 50 40 BHGB CCOc1ccc(Cl)cc1/C=C/C(=O)Cl 33434998 ABIOENQVLQLTKP-ZZXKWVIFSA-N 245.105 3.517 50 40 BHGB O=C(Cl)[C@H](c1ccccc1)C1CCCC1 39248840 OSGGRLYAWNSAGG-GFCCVEGCSA-N 222.715 3.726 50 40 BHGB in-vitro Cc1cc(F)ccc1C#CCCCCl 95632333 ZPWVHKXSKZUUPZ-UHFFFAOYSA-N 210.679 3.505 50 40 BHGB FS(F)(F)(F)(F)CCBr 95671290 JVXOYDNEHDYIHT-UHFFFAOYSA-N 235.015 3.680 50 40 BHGB FC(F)(F)CCOc1ccc(CCl)cc1 70914233 AEWKLMYOSKBYDH-UHFFFAOYSA-N 238.636 3.757 50 40 BHGB Br[C@@H]1Cc2cccc3cccc1c23 96509964 DRZNOPRRQNUPSF-LLVKDONJSA-N 233.108 3.832 50 40 BHGB O=[N+]([O-])c1ccc(-c2ccc(CCl)o2)cc1 5769189 ZCGIRQMWFBETRE-UHFFFAOYSA-N 237.642 3.594 50 40 BHGB Clc1ccc([C@H]2C[C@H]2Br)cc1 242390217 AFGDANXTHKZERM-RKDXNWHRSA-N 231.520 3.591 50 40 BHGB O=C(Cl)c1c2ccccc2nc2ccccc12 26893799 POZJERCVPSQRFG-UHFFFAOYSA-N 241.677 3.767 50 40 BHGB C[C@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1 34071934 ZVSVQCHLYIWCDE-LURJTMIESA-N 236.620 3.515 50 40 BHGB CCSc1ccc(C(=O)[C@H](C)Cl)cc1 36198234 LIASILPBBYWCGI-QMMMGPOBSA-N 228.744 3.609 50 40 BHGB Cc1c(F)cccc1C(=O)CCCCCl 394775637 ITAVHOTUCFNSFC-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB O[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1 1720224 ZCOFOBIIOQWUDE-KBPBESRZSA-N 232.710 3.700 50 40 BHGB CCCc1ccc(C(=O)[C@H](Cl)CC)cc1 71423609 HSADOTMEDIPVLF-GFCCVEGCSA-N 224.731 3.839 50 40 BHGB O=C(OCCCCCCCl)c1ccccc1 2518759 OFFNIPCGTBVYED-UHFFFAOYSA-N 240.730 3.643 50 40 BHGB COc1ccc(Cl)cc1C(=O)CCCCl 36171609 UEZOLQSZFFTFSH-UHFFFAOYSA-N 247.121 3.550 50 40 BHGB COc1ccc([C@@H]2C[C@@H](C)C(C)=C(C#N)O2)cc1 4267473 ZWFHFXYZKAEIIS-YGRLFVJLSA-N 243.306 3.590 50 40 BHGB biogenic COc1cc(C)c(C(=O)CCCCl)cc1C 36164411 VTGQJKTXNFFYCX-UHFFFAOYSA-N 240.730 3.514 50 40 BHGB O=C(CCCCCCl)c1ccc(Cl)nc1 2392749 UHCDOFGEFQSJGC-UHFFFAOYSA-N 246.137 3.717 50 40 BHGB O=CCCCCCCCCCBr 34570445 JRVIFIREWVQSDU-UHFFFAOYSA-N 235.165 3.701 50 40 BHGB CC(C)Oc1cccc(C(=O)CCCCl)c1 87283970 VPOVXCHUPCLHTQ-UHFFFAOYSA-N 240.730 3.676 50 40 BHGB S=C=NCc1cc(Cl)ccc1Cl 1776010935 IIFMBFHBJUYHAJ-UHFFFAOYSA-N 218.108 3.596 50 40 BHGB N#C/C=C/c1cccc(OCc2ccccc2)c1 6927462 PLGYNFSUSGMBML-WEVVVXLNSA-N 235.286 3.802 50 40 BHGB O=C(CCCCl)c1ccc(F)c(Cl)c1 43212721 ZHCAEWTVZLQOTJ-UHFFFAOYSA-N 235.085 3.681 50 40 BHGB CC(C)(C)c1ccc(C(C)(C)OO)cc1 104042576 HSYSVFXBQIIBBJ-UHFFFAOYSA-N 208.301 3.709 50 40 BHGB COc1ccc(/C(C#N)=C\c2cccs2)cc1 17105820 BDGBPQQQQHJRRM-XFXZXTDPSA-N 241.315 3.821 50 40 BHGB Cc1ccc(C#CCCCCl)c(C)c1 95633541 ZQBBMIKIOWAUCL-UHFFFAOYSA-N 206.716 3.674 50 40 BHGB C[C@@H](Cl)c1nnc(-c2cccc(Cl)c2)o1 4207071 GZDXPNTZDUHKJL-ZCFIWIBFSA-N 243.093 3.690 50 40 BHGB S=C=NCc1ccc(-c2ccccc2)cc1 36533359 QRVWCRZNUFESFR-UHFFFAOYSA-N 225.316 3.956 50 40 BHGB O=Cc1cc(S(F)(F)(F)(F)F)ccc1O 100043578 GNLGOMVJAGNVSE-UHFFFAOYSA-N 248.172 3.862 50 40 BHGB CC(=O)/C=C(/C)O[Si](C)(C)C(C)(C)C 195774627 ZRVOCNOYAJIAAP-NTMALXAHSA-N 214.381 3.501 50 40 BHGB CCCCCC[C@H](C)OC(=O)[C@H](C)Cl 1597333 SNRMOKLQYYZTJR-UWVGGRQHSA-N 220.740 3.516 50 40 BHGB Fc1ccc(-c2csc(N=C=S)n2)cc1 20153797 UTQUFYYQJWFQKT-UHFFFAOYSA-N 236.296 3.684 50 40 BHGB C[C@H](Cl)C(=O)Nc1ccccc1C(C)(C)C 35222630 PUOBJXKRIYIOJT-VIFPVBQESA-N 239.746 3.550 50 40 BHGB in-vitro ClCC1=NC2(CCCC2)Cc2ccccc21 112493 UCHUHOBELGVALR-UHFFFAOYSA-N 233.742 3.583 50 40 BHGB O=C(Cl)c1ccccc1Oc1ccccc1 2574146 BMGKQFRMINVVPP-UHFFFAOYSA-N 232.666 3.858 50 40 BHGB C[C@](Cl)(CCl)C(Cl)(Cl)Cl 1687975 OAKLYBYUOVAPHJ-VKHMYHEASA-N 230.349 3.593 50 40 BHGB CCCCc1ccc(NC(=O)[C@@H](C)Cl)cc1 20206434 UMGLSRJNOYDWDR-SNVBAGLBSA-N 239.746 3.595 50 40 BHGB CCCCCOc1ccc(C)cc1C(=O)Cl 95739842 FIGJWLVRAQVUNT-UHFFFAOYSA-N 240.730 3.943 50 40 BHGB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Cl)cc1 3887325 RQCJASQDAKJYLO-ZJUUUORDSA-N 239.746 3.766 50 40 BHGB CCO[C@H](O[Si](CC)(CC)CC)C(F)F 627281315 PGEKSJDXBBTTTN-SNVBAGLBSA-N 240.366 3.636 50 40 BHGB O[C@H](c1ccccc1)[C@@H](Cl)c1ccccc1 1720225 ZCOFOBIIOQWUDE-UONOGXRCSA-N 232.710 3.700 50 40 BHGB Clc1ccccc1[C@H]1C[C@H]1Br 242701951 WUSSOOHSHMKNIH-HTQZYQBOSA-N 231.520 3.591 50 40 BHGB CC[C@@H](C)CCCCCBr 2392187 TWDAVWNDGHYAJZ-SECBINFHSA-N 207.155 3.988 50 40 BHGB CC(C)c1ccc(CCBr)cc1 55241585 UULVXHIADFFGJC-UHFFFAOYSA-N 227.145 3.747 50 40 BHGB Cc1cccc(C(C)C)c1NC(=O)CCCl 6318163 HJOYSVHQOMIWHS-UHFFFAOYSA-N 239.746 3.686 50 40 BHGB Cc1ccc(/C=C(\C#N)c2ccccn2)s1 5068239 JPEZNPAJMOFNKD-DHZHZOJOSA-N 226.304 3.516 50 40 BHGB CCCCCOc1ccccc1C=C(C#N)C#N 59399050 RGBSRFBISZNVSX-UHFFFAOYSA-N 240.306 3.686 50 40 BHGB Cc1ccc([C@@H]2C[C@H](C)C=C(C#N)O2)cc1 4267457 GAPJKKVAUZBMBO-RISCZKNCSA-N 213.280 3.500 50 40 BHGB biogenic O=P(Cl)(Cl)C(F)(F)C(F)(F)F 95697035 DZUQHGLHOKYDMD-UHFFFAOYSA-N 236.891 3.812 50 40 BHGB N#C/C(=C/c1ccc(F)cc1)c1ccccc1 195784317 GHNBNERCVAMXQK-UVTDQMKNSA-N 223.250 3.890 50 40 BHGB CC[Si](CC)(CC)Oc1ccccc1O 196186819 KHLACNQQQFPNLB-UHFFFAOYSA-N 224.376 3.776 50 40 BHGB Cn1cccc1/C=C(\C#N)c1ccc(Cl)cc1 12363397 HAINTMPOKDOZDV-FMIVXFBMSA-N 242.709 3.743 50 40 BHGB CCCc1ccc(C(=O)[C@@H](Cl)CC)cc1 71423610 HSADOTMEDIPVLF-LBPRGKRZSA-N 224.731 3.839 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(C)c(Cl)c1 307253762 WCOKPKXFSQXWEJ-SECBINFHSA-N 231.122 3.849 50 40 BHGB CC(C)=CCC[C@@](C)(Cl)[C@@H](Cl)C=O 100086088 FPGSVUOYNGKPSG-VHSXEESVSA-N 223.143 3.537 50 40 BHGB Cc1ccc([C@H]2C[C@H](C)C=C(C#N)O2)cc1 4267459 GAPJKKVAUZBMBO-BXUZGUMPSA-N 213.280 3.500 50 40 BHGB biogenic Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cl 2654626 AKLKTQNAKIHBSY-SNVBAGLBSA-N 239.746 3.684 50 40 BHGB CC[C@@H](Cl)C(=O)c1cccc(Cl)c1C 307558291 MLYCJBMXSLSODH-SECBINFHSA-N 231.122 3.849 50 40 BHGB CCCCCCCCCC[C@@H]1CC(=O)OC1=O 100011111 YOWKKGPNCDIFFB-GFCCVEGCSA-N 240.343 3.607 50 40 BHGB in-vitro CC[C@@H](Cl)C(=O)c1ccc(C)cc1C 71423618 HJZXUTBEWQVCLN-LLVKDONJSA-N 210.704 3.504 50 40 BHGB ClCCc1nc2cc(Cl)c(Cl)cc2[nH]1 130384528 DHMPETUQKONVPH-UHFFFAOYSA-N 249.528 3.651 50 40 BHGB C[C@@]1(C(Cl)Cl)C=CC(=O)c2ccccc21 5742946 CTNFCHNIMSCIBV-GFCCVEGCSA-N 241.117 3.501 50 40 BHGB O=C(Cl)CCCc1ccc2c(c1)CCCC2 11631072 VYDCYBMREMKDJJ-UHFFFAOYSA-N 236.742 3.654 50 40 BHGB O=C=Nc1ccc(C2CCCCC2)cc1 71508229 VDFSJSHFOGBMMI-UHFFFAOYSA-N 201.269 3.702 50 40 BHGB ClC[C@@H](Cl)[C@@H]1CC[C@@H](Cl)[C@H](Cl)C1 104320842 QAZYDQVLTRKNST-WCTZXXKLSA-N 249.996 3.848 50 40 BHGB CCn1cccc1/C=C(/C#N)c1ccc(F)cc1 408937540 QZZBEXUPBPMJHG-RAXLEYEMSA-N 240.281 3.711 50 40 BHGB COc1ccc(-c2ccccc2)cc1C(=O)Cl 57339953 WIASMYZBRZIOSA-UHFFFAOYSA-N 246.693 3.741 50 40 BHGB BrCCC1CCCCCC1 84329081 YFWUUIKFHYDTGJ-UHFFFAOYSA-N 205.139 3.742 50 40 BHGB in-vitro O=C(CCl)c1ccc(Oc2ccccc2)cc1 1664330 KXYJNSJYQCRPRE-UHFFFAOYSA-N 246.693 3.900 50 40 BHGB in-vitro N#C[C@@H](Cl)c1cccc(C(F)(F)F)c1 45626867 KGEOOJNIPYMDFK-MRVPVSSYSA-N 219.593 3.509 50 40 BHGB N#CSc1ccc(O)c(Cc2ccccc2)c1 57352731 LEHGLCOVGMZZAC-UHFFFAOYSA-N 241.315 3.556 50 40 BHGB FC(F)(F)c1cccc2nc(CCl)oc12 396112943 FYVHVCCBWDATQB-UHFFFAOYSA-N 235.592 3.585 50 40 BHGB Clc1cccc([C@H]2C[C@H]2Br)c1 242522207 ILZJZXJSCHIBEI-RKDXNWHRSA-N 231.520 3.591 50 40 BHGB Cc1ccc2nc(Cl)c(CCCl)cc2c1 11985623 GFPYKOMHMFVDEE-UHFFFAOYSA-N 240.133 3.978 50 40 BHGB Cc1cc(C#CCCCCl)ccc1F 95632379 XAOSFIXCWKWSEU-UHFFFAOYSA-N 210.679 3.505 50 40 BHGB S=C=NCc1cc(Cl)cc(Cl)c1 1776010857 DVZYTCLAZRRMQI-UHFFFAOYSA-N 218.108 3.596 50 40 BHGB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Br)C2 100224772 OTOQMOVZIUGCQE-NQMVMOMDSA-N 217.150 3.596 50 40 BHGB Cc1nc(OCc2ccccc2)ccc1CCl 72224455 WOWTUACIPUAOHI-UHFFFAOYSA-N 247.725 3.708 50 40 BHGB Cc1cc(Cl)cc(Cl)c1C(=O)Cl 95704703 ZYCUGDJCGAINDW-UHFFFAOYSA-N 223.486 3.681 50 40 BHGB C[C@@]12CC3CC(C(=O)Cl)(C1)C[C@@](C)(C3)C2 100149893 RZEJREVONLVTCU-FHQIDYJMSA-N 226.747 3.748 50 40 BHGB O=C(N=C=S)c1cccc2c(Cl)cccc12 70461504 NFTUTXUOKYNPNP-UHFFFAOYSA-N 247.706 3.736 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)cc1C 307638236 XTYZSEHXEVXILS-JTQLQIEISA-N 231.122 3.849 50 40 BHGB C=CC=C(O[Si](C)(C)C)O[Si](C)(C)C 195751502 KRDZQGWHCOOABR-UHFFFAOYSA-N 230.456 3.717 50 40 BHGB N#C/C(=C/c1ccsc1)c1cccc(F)c1 409389476 BEMXDKDFBVAVFH-SDQBBNPISA-N 229.279 3.951 50 40 BHGB N#C/C(=C\c1ccco1)C1CCCCC1 1735546 DMZKPWXZRXWYSG-FMIVXFBMSA-N 201.269 3.767 50 40 BHGB ClCc1csc(C2CCCC2)n1 34525965 IBRFKFTYPXFYQQ-UHFFFAOYSA-N 201.722 3.540 50 40 BHGB in-vitro Cc1cc(NCc2ccccc2)ncc1CCl 72223359 GWILCGIDACCUIP-UHFFFAOYSA-N 246.741 3.741 50 40 BHGB CC(C)CSc1ccc(C(=O)Cl)cc1 95739830 XRVOARMVEIYMSY-UHFFFAOYSA-N 228.744 3.814 50 40 BHGB O=CC1=C(c2ccc(Cl)cc2)CCCC1 116884184 KPIDAOFOHPLXRM-UHFFFAOYSA-N 220.699 3.867 50 40 BHGB O=C(OCCl)Oc1ccc2ccccc2c1 160226 BXTXTJCMWUKOIL-UHFFFAOYSA-N 236.654 3.552 50 40 BHGB CC1(C)[C@H](CCCl)C[C@H]1CCCl 1713091 INKQNBVJEYIODC-RKDXNWHRSA-N 209.160 3.907 50 40 BHGB Cn1cccc1/C(C#N)=C/c1ccc(Cl)cc1 5248415 GLUDENDHWQXLKU-FMIVXFBMSA-N 242.709 3.743 50 40 BHGB CCOC(=O)C(C#N)=C1CCC(C(C)(C)C)CC1 5472369 VSBQQUAYJFHFJO-UHFFFAOYSA-N 249.354 3.606 50 40 BHGB ClCc1ccc2ccc(Cl)cc2n1 2386321 VDRLGRBSQTUUOX-UHFFFAOYSA-N 212.079 3.627 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(F)c(Cl)c1 307273747 KLSUUSQFZBQMEL-ZETCQYMHSA-N 235.085 3.679 50 40 BHGB O=C(c1ccccc1F)[C@@H](Cl)c1ccccc1 39269367 WKUSMIXNFMNCEJ-ZDUSSCGKSA-N 248.684 3.989 50 40 BHGB CCCCSc1ccc(C(=O)Cl)cc1 95739467 MPUNOEHLPVOEPY-UHFFFAOYSA-N 228.744 3.958 50 40 BHGB CC(C)C/C=C(/C#N)c1nc2ccccc2[nH]1 3032764 SZHRTMBVAAVSPF-FLIBITNWSA-N 225.295 3.516 50 40 BHGB CC(C)(C)c1ccc(NC(=O)CCCl)cc1 19269774 CQDXIKWARGBYMG-UHFFFAOYSA-N 239.746 3.552 50 40 BHGB O=C(CCCl)c1c[nH]c2cc(Cl)ccc12 157314060 PABLTEJDDRLQML-UHFFFAOYSA-N 242.105 3.633 50 40 BHGB CCCn1c(CCl)nc2cc(C)c(C)cc21 225297905 KGCHYZMQZWMUKZ-UHFFFAOYSA-N 236.746 3.802 50 40 BHGB Cc1c(O)c(C)c(CCl)c(C)c1CCl 2570065 DCJPBYTWRPNDEC-UHFFFAOYSA-N 233.138 3.795 50 40 BHGB CC[C@@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933470 CVJLWLAYZAIORM-VGRMVHKJSA-N 249.996 3.990 50 40 BHGB N#C[C@@H](Cl)Cc1ccc(Cl)cc1Cl 165193 PCIYKWGKFRQRJS-QMMMGPOBSA-N 234.513 3.667 50 40 BHGB ClC(Cl)[C@H](Cl)c1ccccc1 1729715 IIFUYAJFOYKHRA-SSDOTTSWSA-N 209.503 3.770 50 40 BHGB O=C(Cl)Cc1ccc(Oc2ccccc2)cc1 34463218 XGWCOBLCRATZKT-UHFFFAOYSA-N 246.693 3.787 50 40 BHGB COc1cc(CCl)ccc1SC(F)F 47844192 NDWWVKZFYLGGEL-UHFFFAOYSA-N 238.686 3.749 50 40 BHGB Cc1cc(C(=O)CCCCCl)ccc1F 2517991 WKGWNOVXFVNEJY-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB CC(C)(CCl)C(=O)c1ccccc1Cl 306266150 DQTKLAKZCXIADC-UHFFFAOYSA-N 231.122 3.788 50 40 BHGB Fc1cc(CBr)cc(Cl)c1F 307708615 JKOWWOVMDJOVCH-UHFFFAOYSA-N 241.462 3.513 50 40 BHGB CC(=O)NN=C1CCCCCCCCCCC1 5900034 QRXUKTCBWNAGCZ-UHFFFAOYSA-N 238.375 3.783 50 40 BHGB N#C/C(=C\c1ccccc1)c1nc2ccccc2o1 6927190 IKSULSRGNLFDDB-JLHYYAGUSA-N 246.269 3.892 50 40 BHGB Cc1cccc2cc(CCl)c(Cl)nc12 11985066 AFLRXIHGPHYZBL-UHFFFAOYSA-N 226.106 3.935 50 40 BHGB N#C[C@H](Cl)Cc1ccc(Cl)cc1Cl 165195 PCIYKWGKFRQRJS-MRVPVSSYSA-N 234.513 3.667 50 40 BHGB ClCc1coc(/C=C/c2cccs2)n1 140421051 JSCQXIHLJCXSGF-ONEGZZNKSA-N 225.700 3.645 50 40 BHGB C[C@@H](Br)c1ccc(F)c(Cl)c1 57214479 PFTSLXBGPLIJBB-RXMQYKEDSA-N 237.499 3.935 50 40 BHGB in-vitro CCC[C@@H]1CCCC[C@H]1Br 1717275 KAPCYUWEWWUIKN-RKDXNWHRSA-N 205.139 3.740 50 40 BHGB O=C1Nc2ccccc2[C@H](Cl)c2ccccc21 34247052 YVGYCHJINBDOEE-CYBMUJFWSA-N 243.693 3.581 50 40 BHGB C[C@]1(Cl)C[C@H](Cl)[C@@H](Cl)C[C@@H]1Cl 221853208 PQUFNWZWIZOKHV-AXMZGBSTSA-N 235.969 3.600 50 40 BHGB ClC/C=C/c1ccc(Br)cc1 72137441 MWYBPNFKLPDFBX-OWOJBTEDSA-N 231.520 3.701 50 40 BHGB in-vitro CC(C)=CCC[C@](C)(Cl)[C@@H](Cl)C=O 100086085 FPGSVUOYNGKPSG-UWVGGRQHSA-N 223.143 3.537 50 40 BHGB ClCC1=NC2(CCCCC2)Cc2ccccc21 210276 IMENUSUCFACGNM-UHFFFAOYSA-N 247.769 3.974 50 40 BHGB N#C[C@@H](Cl)c1c(Cl)cccc1Cl 45626739 VGVVEYROUDZXID-SSDOTTSWSA-N 220.486 3.797 50 40 BHGB Clc1ccccc1[C@@H]1C[C@@H]1Br 242701954 WUSSOOHSHMKNIH-YUMQZZPRSA-N 231.520 3.591 50 40 BHGB C[C@@H](Cl)C(=O)c1ccc(Cl)cc1Cl 34342936 BWABACVFJJBKOR-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB Fc1cccc2cc(CBr)ccc12 238554369 FOAFRDFZNZMNGN-UHFFFAOYSA-N 239.087 3.874 50 40 BHGB Cc1oc(-c2ccc(F)cc2F)nc1CCl 39320621 ZRCXDTUQIKJZAR-UHFFFAOYSA-N 243.640 3.667 50 40 BHGB Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 14150517 CLBTVLCRSHJGOF-LFIBNONCSA-N 247.297 3.785 50 40 BHGB CCCCCCCC[C@@H]1OC[C@@H](CCl)O1 1674874 PBEQIZISCGTLQB-VXGBXAGGSA-N 234.767 3.717 50 40 BHGB O=C(CCCCCl)c1cc(F)cc(F)c1 394540899 SXDQHCQBPKGZRC-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccccc1Cl 306425642 HJWQOEXDBWZTBI-MRVPVSSYSA-N 217.095 3.540 50 40 BHGB C[C@@H](Cl)C(=O)c1cccc2ccccc12 31893224 XRCRRENQSPVZIB-SECBINFHSA-N 218.683 3.650 50 40 BHGB CC1(C)Cc2cc(CCl)cc(Cl)c2O1 32625235 JMVAWMGMUAWRNU-UHFFFAOYSA-N 231.122 3.792 50 40 BHGB in-vitro N#CC(C#N)=C/C=C/c1c(Cl)cccc1Cl 1637001 AQHXDGSVFZHQHH-DAFODLJHSA-N 249.100 3.980 50 40 BHGB CCCCOc1ccc(C(=O)Cl)cc1Cl 95739843 SWZJWRWYNIHQGC-UHFFFAOYSA-N 247.121 3.898 50 40 BHGB CCCCCCC[C@@]1(C)OC[C@@H](CCl)O1 1689253 UXXUXZDOUDKIMN-NEPJUHHUSA-N 234.767 3.717 50 40 BHGB CCCCc1ccc(C(=O)[C@H](C)Cl)cc1 19803162 QUXCQUSTHZININ-JTQLQIEISA-N 224.731 3.839 50 40 BHGB C[C@@H](Cl)c1ccc(OC(F)F)cc1 36905073 KYCJKSKUEAQPSC-ZCFIWIBFSA-N 206.619 3.588 50 40 BHGB O=C(Cl)c1ccc2c(c1)-c1ccccc1C2 218717777 WJNNXGJFIPEYME-UHFFFAOYSA-N 228.678 3.637 50 40 BHGB Cc1c(C)c(C)c(CN=C=S)c(C)c1C 2168972 ASPUMCKFQVUOHO-UHFFFAOYSA-N 219.353 3.832 50 40 BHGB ClCc1ccc(Br)cc1Cl 57217601 PZZKGAPMRIIJKV-UHFFFAOYSA-N 239.927 3.841 50 40 BHGB CCOc1cccc(/C=C/C(=O)Cl)c1Cl 72209083 BIOFGJBMIMTTPY-VOTSOKGWSA-N 245.105 3.517 50 40 BHGB Cc1ccc(CCCCl)c(Br)c1 107497518 ORAFWDPDTYYRNC-UHFFFAOYSA-N 247.563 3.929 50 40 BHGB Cc1ccc(SCCCCCl)c(N)c1 1869934 OYBKDSFWGIKBFE-UHFFFAOYSA-N 229.776 3.688 50 40 BHGB CC[C@H](CBr)c1ccccc1 49780949 DEESSKCTGAJPNA-SECBINFHSA-N 213.118 3.575 50 40 BHGB CC[C@]1(Cl)C[C@H](Cl)[C@@H](Cl)C[C@@H]1Cl 221853460 CVJLWLAYZAIORM-XAMCCFCMSA-N 249.996 3.990 50 40 BHGB ClCc1coc(/C=C/c2ccccc2)n1 140413070 BWYCMCSGOJBYNF-VOTSOKGWSA-N 219.671 3.584 50 40 BHGB CC(C)=C[C@@H]1[C@@H](CBr)C1(C)C 1665531 OGQOSLYUJWDNEJ-RKDXNWHRSA-N 217.150 3.620 50 40 BHGB Cc1ccc(C2(C(=O)Cl)CCCCC2)cc1 2574162 OHENUMMBHAOHOB-UHFFFAOYSA-N 236.742 3.962 50 40 BHGB O=c1cc(CCl)c2c(ccc3ccccc32)o1 535895 ZPGVCNAZYMUWKE-UHFFFAOYSA-N 244.677 3.685 50 40 BHGB Cc1ccsc1C(=O)CCCCCl 38812795 SGKZQVHVLRGDSY-UHFFFAOYSA-N 216.733 3.648 50 40 BHGB N#C/C(=C/c1ccccn1)c1ccc(Cl)cc1 8627557 FSCJSMAWFIFUNF-XFXZXTDPSA-N 240.693 3.799 50 40 BHGB CCCCCCCC[S@@](=O)CCCCl 95876058 WQZLBRKHBCTDOZ-AWEZNQCLSA-N 238.824 3.725 50 40 BHGB Cc1ccc(NC(=O)CCCCl)cc1Cl 5417385 JRZWRMQBCSXMEJ-UHFFFAOYSA-N 246.137 3.606 50 40 BHGB N#CC(=C1CCCCC1)c1nc2ccccc2[nH]1 13284454 GQBMODXSYXBUIQ-UHFFFAOYSA-N 237.306 3.804 50 40 BHGB C[P@@](=O)(Cl)Cc1ccccc1Cl 110167454 CYCCKNZPVOWVII-LBPRGKRZSA-N 223.039 3.987 50 40 BHGB CC(C)c1cccc(C(=O)[C@@H](C)Cl)c1 307090165 WAFMKRNKDWFAIN-SECBINFHSA-N 210.704 3.620 50 40 BHGB CCCCCC[C@H](C)I 2034772 XFLOGTUFKZCFTK-QMMMGPOBSA-N 240.128 3.780 50 40 BHGB CC(C)(C)OC(=O)Nc1ccccc1CCl 89064325 GLWIBRDLIITNHW-UHFFFAOYSA-N 241.718 3.772 50 40 BHGB O=P(Cl)(Cl)C1CCCCC1 95713832 MRRAOBIIOMSKQB-UHFFFAOYSA-N 201.033 3.990 50 40 BHGB N#CS[C@@H]1CCCCCC[C@H]1SC#N 1638438 ZPEGMCSXWLQQFW-NXEZZACHSA-N 226.370 3.506 50 40 BHGB C[C@@H](Cl)CN(C)c1ccc2ccccc2c1 1762981 FOCDPAAPSAZTDW-LLVKDONJSA-N 233.742 3.903 50 40 BHGB O=C(CCCCl)c1cc(F)ccc1Cl 164394958 NUFXFTGMOQIPPC-UHFFFAOYSA-N 235.085 3.681 50 40 BHGB C=CCn1c(C)c(C=C(C#N)C#N)c2ccccc21 868444 KILBWILTUIXMHK-UHFFFAOYSA-N 247.301 3.566 50 40 BHGB CCCCCC[C@@H](C)OC(=O)[C@@H](C)Cl 1597330 SNRMOKLQYYZTJR-NXEZZACHSA-N 220.740 3.516 50 40 BHGB COc1ccc([C@H]2C[C@H](C)C(C)=C(C#N)O2)cc1 4267472 ZWFHFXYZKAEIIS-IINYFYTJSA-N 243.306 3.590 50 40 BHGB biogenic O=C(CCCCl)c1cccc(Cl)c1 43210697 DHFSSYNGPPXGJT-UHFFFAOYSA-N 217.095 3.542 50 40 BHGB CCCSc1ccccc1C(=O)Cl 95739466 NHIOLFICWWHGDQ-UHFFFAOYSA-N 214.717 3.568 50 40 BHGB ClCc1csc(C2CCCCC2)n1 32627884 VXYXEBAKSNNLPL-UHFFFAOYSA-N 215.749 3.930 50 40 BHGB CC(C)n1c([C@H](C)Cl)nc2ccccc21 36895988 HUXKEGYQICETHH-VIFPVBQESA-N 222.719 3.917 50 40 BHGB N#CC(C#N)=C1c2ccccc2Oc2ccccc21 1595938 CRVMJWCVORNATK-UHFFFAOYSA-N 244.253 3.641 50 40 BHGB C[C@@H](CC(=O)OOC(C)(C)C)CC(C)(C)C 95713776 VSJBBIJIXZVVLQ-JTQLQIEISA-N 230.348 3.722 50 40 BHGB Cc1nc(N2CCCCCC2)ccc1CCl 72224562 LYOPRLMNHXAFLA-UHFFFAOYSA-N 238.762 3.509 50 40 BHGB CC(C)Oc1ccc(C(=O)CCl)cc1Cl 36198504 NXHMAHITJVDCSJ-UHFFFAOYSA-N 247.121 3.549 50 40 BHGB ClCc1coc(-c2ccccc2Cl)n1 20580998 BLLYYQSEGWXQDC-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB in-vitro C[C@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@H]1Cl 257345408 PQUFNWZWIZOKHV-UCROKIRRSA-N 235.969 3.600 50 40 BHGB ClCC#CCOc1c(Cl)cccc1Cl 1574104 AZBCIZHKCWERDK-UHFFFAOYSA-N 249.524 3.614 50 40 BHGB C[C@@H](Cl)C(=O)c1ccc(C(C)(C)C)cc1 3337431 RXZLQSCORMCHDF-SECBINFHSA-N 224.731 3.794 50 40 BHGB in-vitro ClCCCCCOCc1ccccc1 34546299 NFKHVAANLLONKQ-UHFFFAOYSA-N 212.720 3.612 50 40 BHGB Cc1nc(NCc2ccccc2)ccc1CCl 72224401 SCBMIGAWKGELKF-UHFFFAOYSA-N 246.741 3.741 50 40 BHGB CC[C@H](Cl)C(=O)c1cccc(C)c1C 306704099 NDPCOOWJRXXITN-NSHDSACASA-N 210.704 3.504 50 40 BHGB Cc1ccc(C(=O)Cl)c2ccccc12 39057293 IXGMHYHWSPDNNS-UHFFFAOYSA-N 204.656 3.527 50 40 BHGB in-vitro N#C[C@H](Cl)c1ccc(C(F)(F)F)cc1 45626835 GGWRDOXSJFCSPS-QMMMGPOBSA-N 219.593 3.509 50 40 BHGB Cc1ccc(C2(C(=O)Cl)CCCC2)cc1 2574161 ARYYJZHJKHGPKI-UHFFFAOYSA-N 222.715 3.572 50 40 BHGB Cc1ccc(C(=O)Cl)c(F)c1C(F)(F)F 98210804 SRANUWKDSICOSZ-UHFFFAOYSA-N 240.583 3.532 50 40 BHGB Cc1cccc(CCCCBr)c1 70791601 IXHKOSZPBLRFFG-UHFFFAOYSA-N 227.145 3.713 50 40 BHGB CC[P+](CC)(c1ccccc1)c1ccccc1 104272471 XTWYRDJTWUNXQG-UHFFFAOYSA-N 243.310 3.695 50 40 BHGB CCCCC/C(C)=C\CBr 104203472 FABPEHHINRPZGV-CLFYSBASSA-N 205.139 3.908 50 40 BHGB COc1ccc2ccccc2c1C(=O)[C@H](C)Cl 36183100 KPXIHCYSRDWHDH-VIFPVBQESA-N 248.709 3.658 50 40 BHGB O=C(Nc1ccccc1)c1cccc(CCl)c1 34975409 NNYXVNDGOOLSLC-UHFFFAOYSA-N 245.709 3.678 50 40 BHGB O=C(CCCCCl)c1c(F)cccc1F 379796921 KTOXDCOYWVOXCX-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB CCO[C@H](CCCl)c1ccc(C)cc1 2043957 NDNQMUPOOPOMJK-GFCCVEGCSA-N 212.720 3.702 50 40 BHGB O=C(C(Cl)Cl)C12CC3CC(CC(C3)C1)C2 5003395 ANJSALSBPPIZES-UHFFFAOYSA-N 247.165 3.576 50 40 BHGB Fc1cccc(-c2nc(CCl)cs2)c1 22167620 JJQPDCSXJHWFCN-UHFFFAOYSA-N 227.691 3.688 50 40 BHGB C[C@H](CBr)Oc1ccc(Cl)cc1 34536426 XFQSINJZWKYWKG-SSDOTTSWSA-N 249.535 3.502 50 40 BHGB CCCN(CCC)c1ncc(CCl)cc1C 72222239 QYDDOEWLYLDPRJ-UHFFFAOYSA-N 240.778 3.755 50 40 BHGB CC[Si](C)(CCl)CCC(F)(F)F 195529533 QPUJKTZMWXOOOY-UHFFFAOYSA-N 218.722 3.815 50 40 BHGB O=C(CCCCCCl)c1ccc(F)cc1 2378505 NMKHCGOYOKIXRW-UHFFFAOYSA-N 228.694 3.808 50 40 BHGB CCCCOc1c(F)cc(C(=O)Cl)cc1F 95739780 WHYWTHYSJJJTNP-UHFFFAOYSA-N 248.656 3.523 50 40 BHGB Cc1c(C)n(C(=O)[C@@H](C)Cl)c2ccccc12 506671 JUALFISVFJJIRZ-SECBINFHSA-N 235.714 3.526 50 40 BHGB CCc1ccc(/C=C(\C#N)c2ccccn2)cc1 5128553 FRYXDTZQEBTOBM-RVDMUPIBSA-N 234.302 3.708 50 40 BHGB FC(F)(F)CCOc1cccc(CCl)c1 70914237 VHVVVQXKXSNIFT-UHFFFAOYSA-N 238.636 3.757 50 40 BHGB C[C@]1(Cl)C[C@H](Cl)[C@@H](Cl)C[C@H]1Cl 257345409 PQUFNWZWIZOKHV-YTLHQDLWSA-N 235.969 3.600 50 40 BHGB COc1cc(C)c(C=C(C#N)C#N)cc1C(C)C 408859737 ZDPDARNIUKFBCZ-UHFFFAOYSA-N 240.306 3.558 50 40 BHGB CCCCCC[C@H](C)CBr 2392186 XHYRIXNUUUUPAL-VIFPVBQESA-N 207.155 3.988 50 40 BHGB CC1(C)[C@@H](CCCl)C[C@@H]1CCCl 1713090 INKQNBVJEYIODC-IUCAKERBSA-N 209.160 3.907 50 40 BHGB Cc1ccc([C@H]2C[C@@H](C)C=C(C#N)O2)cc1 4267463 GAPJKKVAUZBMBO-SMDDNHRTSA-N 213.280 3.500 50 40 BHGB biogenic CN(C)c1cccc(/C=C(\C#N)c2ccccc2)c1 1642479 JDZSJXYNKBVSLD-LFIBNONCSA-N 248.329 3.817 50 40 BHGB ClCCOC1CCC(c2ccccc2)CC1 85395398 ZVVLYSYQTZFMFZ-UHFFFAOYSA-N 238.758 3.968 50 40 BHGB COc1ccc(-c2nc(CCl)cs2)cc1 3399147 QUGNZVWIWYZXEC-UHFFFAOYSA-N 239.727 3.558 50 40 BHGB in-vitro COc1ccc([C@@H](C)Br)cc1Cl 40279041 SMRVRTFXJQNAJK-ZCFIWIBFSA-N 249.535 3.805 50 40 BHGB N#C/C(=C\c1cccs1)c1ccccc1 314279 FACDZBYANOZMGQ-FMIVXFBMSA-N 211.289 3.812 50 40 BHGB FP(F)(F)(c1ccccc1)c1ccccc1 100432806 CVYZCIFAHYJSCQ-UHFFFAOYSA-N 242.180 3.844 50 40 BHGB CCOc1cc(C)cc(C)c1CBr 96526268 BGGIBLGBTMISQI-UHFFFAOYSA-N 243.144 3.597 50 40 BHGB CC(C)=C[C@H]1[C@@H](CBr)C1(C)C 1665530 OGQOSLYUJWDNEJ-DTWKUNHWSA-N 217.150 3.620 50 40 BHGB FC(F)Sc1ccc(N=C=S)cc1 3276929 IAEWPVPRODRVHA-UHFFFAOYSA-N 217.265 3.736 50 40 BHGB in-vitro COc1cccc(C(=O)CCCCCCl)c1 39151195 IBACJUGULGACOV-UHFFFAOYSA-N 240.730 3.677 50 40 BHGB CCOc1cc2ccccc2cc1C=C(C#N)C#N 91690417 FNFUBPONVQHHSQ-UHFFFAOYSA-N 248.285 3.669 50 40 BHGB C[C@H](Cl)C(=O)c1csc2ccccc12 34973427 SXONBUBBOVFFMO-ZETCQYMHSA-N 224.712 3.711 50 40 BHGB CC(C)c1ccccc1O[C@@H](C)CCl 41226684 PAOHIUOFNJSRIG-JTQLQIEISA-N 212.720 3.816 50 40 BHGB ClCc1cc(Cl)ccc1Br 82864446 UZWXCRQROYEUMI-UHFFFAOYSA-N 239.927 3.841 50 40 BHGB CCC/C(=N\NC(=O)OC(C)(C)C)C(C)(C)C 605705604 AEJUKOHGKAAZHP-GXDHUFHOSA-N 242.363 3.713 50 40 BHGB CN(C)c1cccc(/C=C(/C#N)c2ccccc2)c1 13139298 JDZSJXYNKBVSLD-WJDWOHSUSA-N 248.329 3.817 50 40 BHGB N#C/C(=C/c1ccco1)c1ccc(Cl)cc1 72146 QRCXABRYUUSBED-FLIBITNWSA-N 229.666 3.997 50 40 BHGB CCc1ccccc1C(=O)C(C)(C)CCl 382672426 APOOTRVHMVZHEV-UHFFFAOYSA-N 224.731 3.697 50 40 BHGB COc1ccc2nc(Cl)c(CCl)cc2c1 11985100 HMIQFHGMCNXAPJ-UHFFFAOYSA-N 242.105 3.636 50 40 BHGB Cc1ccccc1CCCCBr 70791603 VTEGPZVYDKGNMP-UHFFFAOYSA-N 227.145 3.713 50 40 BHGB CCCSc1ccc(C(=O)Cl)cc1 39055867 UOYDIOHDNDVYPX-UHFFFAOYSA-N 214.717 3.568 50 40 BHGB COc1cc(C(=O)CCCCl)ccc1Cl 86698845 JELUZJHSOHSQIN-UHFFFAOYSA-N 247.121 3.550 50 40 BHGB CCCCCOc1ccc(F)cc1C(=O)Cl 95739774 VKFLDCOZEXYAEH-UHFFFAOYSA-N 244.693 3.774 50 40 BHGB N#C/C(=C\c1cccs1)C(=O)c1ccccc1 4322762 GBBWQFWDULNWTL-FMIVXFBMSA-N 239.299 3.538 50 40 BHGB CCCCOc1c(F)cc(F)cc1C(=O)Cl 95739785 OOJDKAJXIBKVIY-UHFFFAOYSA-N 248.656 3.523 50 40 BHGB Cc1cc(CCl)ccc1C(F)(F)F 201065399 SXWQAICFAZCOCB-UHFFFAOYSA-N 208.610 3.753 50 40 BHGB in-vitro C[C@H](N=C=S)c1ccc(Br)cc1 2548100 YSTNXBHZXWCFQE-ZETCQYMHSA-N 242.141 3.613 50 40 BHGB N#C/C(=C\c1ccccn1)c1ccc(Cl)cc1 4823928 FSCJSMAWFIFUNF-FMIVXFBMSA-N 240.693 3.799 50 40 BHGB Cc1csc(/C(C#N)=C/c2cccs2)n1 8079282 GSUZSPOXUGSNFV-WEVVVXLNSA-N 232.333 3.577 50 40 BHGB C=Cc1ccc(C(=O)C(C)(C)CCl)cc1 382700803 OFYKCZFVWVNFPJ-UHFFFAOYSA-N 222.715 3.777 50 40 BHGB FC(F)Sc1ccc(CCl)cc1 47843788 FQMSVRJKZVGTOO-UHFFFAOYSA-N 208.660 3.740 50 40 BHGB in-vitro CC[C@H](Cl)C(=O)c1cccc(Cl)c1C 307558298 MLYCJBMXSLSODH-VIFPVBQESA-N 231.122 3.849 50 40 BHGB O[C@@H](C1CCCCC1)[C@@H]1CCCC[C@@H]1Cl 5566751 VYYCBGHMCNFOGW-AGIUHOORSA-N 230.779 3.725 50 40 BHGB CC[C@H](Cl)C(=O)c1cc(F)cc(Cl)c1 306623790 BSHHKLVONNRGPV-VIFPVBQESA-N 235.085 3.679 50 40 BHGB CC[C@H](Cl)C(=O)c1cccc(Cl)c1 307276760 XNAQVJODXWXSHO-VIFPVBQESA-N 217.095 3.540 50 40 BHGB O=C(Cl)c1cccc(-c2ccsc2)c1 12370362 DWIHFQLHAQZZSL-UHFFFAOYSA-N 222.696 3.794 50 40 BHGB OCc1ccccc1S(F)(F)(F)(F)F 169807223 WOOFRFTVKKFSGT-UHFFFAOYSA-N 234.189 3.836 50 40 BHGB FC(F)(F)c1ccc2nc(CCl)oc2c1 40448095 DJEXBVWLAPVPIG-UHFFFAOYSA-N 235.592 3.585 50 40 BHGB N#C/C(=C/c1cccs1)c1cccc(F)c1 409393156 PHRAZVLYYNDJRZ-FLIBITNWSA-N 229.279 3.951 50 40 BHGB N#C/C(=C/c1ccccc1)c1ccc(C#N)cc1 582257 XDDAUUXKEGNGIY-YBEGLDIGSA-N 230.270 3.622 50 40 BHGB N#CS[C@H]1CCCCCC[C@H]1SC#N 1638437 ZPEGMCSXWLQQFW-AOOOYVTPSA-N 226.370 3.506 50 40 BHGB N#CC(C#N)=C1CCSc2ccc(Cl)cc21 1700985 GFOOTZQGAVWXOV-UHFFFAOYSA-N 246.722 3.637 50 40 BHGB C=C(C)[PH](C)(c1ccccc1)c1ccccc1 104106168 BXWAJJSDNFQIPD-UHFFFAOYSA-N 242.302 3.551 50 40 BHGB Cc1cc(OC(F)(F)F)ccc1N=C=S 15443779 DLFYMFUPLZKECQ-UHFFFAOYSA-N 233.214 3.628 50 40 BHGB COc1ccc2cc(OC(=O)Cl)ccc2c1 2362803509 HFATYMALQBKWTG-UHFFFAOYSA-N 236.654 3.586 50 40 BHGB CCCCSc1ccccc1C(=O)Cl 95739469 DZESFNIADKKHCV-UHFFFAOYSA-N 228.744 3.958 50 40 BHGB Cc1cc(C)c(C)c(C(=O)[C@@H](C)Cl)c1C 19803149 BFUGJMJXLNXCQH-LLVKDONJSA-N 224.731 3.730 50 40 BHGB Cc1ccc(-c2nc(CCl)c(C)o2)s1 39321297 GAOZSZITOVWWLG-UHFFFAOYSA-N 227.716 3.759 50 40 BHGB CC(C)Cc1ccc(C(=O)[C@@H](C)Cl)cc1 157875 GIHSMBINQBEFLD-SNVBAGLBSA-N 224.731 3.695 50 40 BHGB CC(C)c1ccccc1OCCBr 15885451 DAGDLSRRQJATCV-UHFFFAOYSA-N 243.144 3.584 50 40 BHGB S=C=NCc1c(Cl)cccc1Cl 215415867 HPZAHNYYXILZIW-UHFFFAOYSA-N 218.108 3.596 50 40 BHGB CC(C)(C)c1ccc(OC(=O)Cl)cc1 31375156 TZHHLZDMODPXGC-UHFFFAOYSA-N 212.676 3.722 50 40 BHGB Cc1cc(C)c2nc(CCl)sc2c1 95950098 JLSWVRRXXHWNEC-UHFFFAOYSA-N 211.717 3.652 50 40 BHGB COc1ccccc1-c1nc(CCl)cs1 2647835 NMMCMFQIUCEDRT-UHFFFAOYSA-N 239.727 3.558 50 40 BHGB in-vitro N#Cc1ccc(C(=O)CCCCCCCl)cc1 43212761 WPZQSCWEQUTGQR-UHFFFAOYSA-N 249.741 3.930 50 40 BHGB C[C@H](Br)c1ccc(Cl)cc1 57214471 JYQIUMNHRQYUHC-LURJTMIESA-N 219.509 3.796 50 40 BHGB in-vitro COc1ccc2cc(C(=O)[C@H](C)Cl)ccc2c1 34128621 SBNAWXAVNWGSHY-VIFPVBQESA-N 248.709 3.658 50 40 BHGB Cl[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 13284869 MUXQJFBWQLAXGK-ZDUSSCGKSA-N 242.709 3.891 50 40 BHGB FC(F)(F)C1(CBr)CCCC1 409424628 HMBITMZBULNKBO-UHFFFAOYSA-N 231.055 3.504 50 40 BHGB CC(=C(C#N)C#N)c1csc2ccccc12 1700958 ZQOORGORXALOAJ-UHFFFAOYSA-N 224.288 3.722 50 40 BHGB O=C1Nc2ccccc2[C@@H](Cl)c2ccccc21 34247050 YVGYCHJINBDOEE-ZDUSSCGKSA-N 243.693 3.581 50 40 BHGB CC(C)c1ccc(C(=O)[C@@H](C)Cl)cc1 32012436 FFXACZABKUXIHE-SECBINFHSA-N 210.704 3.620 50 40 BHGB FC(F)(F)CCOc1ccccc1CCl 70914229 KJNQFOCOBPATRO-UHFFFAOYSA-N 238.636 3.757 50 40 BHGB C=CC[Si](C)(C)O[Si](C)(C)CC=C 195777381 KYTGWYJWMAKBPN-UHFFFAOYSA-N 214.457 3.785 50 40 BHGB Oc1c(CCl)cc(Cl)cc1CCl 1679774 UWXCJORUGQQAMC-UHFFFAOYSA-N 225.502 3.523 50 40 BHGB O=C(CCl)c1ccc2c(c1)-c1ccccc1C2 3426718 ZJTUQNSEOSSROS-UHFFFAOYSA-N 242.705 3.679 50 40 BHGB C[C@H](Cl)c1nc(Cl)cc(C(C)(C)C)n1 72207448 FNWLJDVKCCSYSE-LURJTMIESA-N 233.142 3.727 50 40 BHGB C[C@@]12CC3CC(N=C=S)(C1)C[C@@](C)(C3)C2 100017970 GXBQJLFQKPPSHC-ZFQMDJOTSA-N 221.369 3.838 50 40 BHGB O=C(Cl)C1(c2ccccc2)CCCCC1 11833323 XUZOAPJJYBDXIC-UHFFFAOYSA-N 222.715 3.654 50 40 BHGB in-vitro CC(C)(C)OC(=O)NN=C1CCCCCCC1 5229879 UDJUXWGLSYKCBN-UHFFFAOYSA-N 240.347 3.611 50 40 BHGB N#C[C@@H](Cl)c1ccc(C(F)(F)F)cc1 45626834 GGWRDOXSJFCSPS-MRVPVSSYSA-N 219.593 3.509 50 40 BHGB C[C@H](Cl)C(=O)c1cccc(C(F)(F)F)c1 232758951 AMIFRRUXUDAWNS-LURJTMIESA-N 236.620 3.515 50 40 BHGB O=C(CCCCCl)c1cccc(F)c1F 308794301 JNBGZGKLXYSDST-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB CCCCCCCCC[C@@H](O)CCl 144294719 DYEWCEKUOOYFBB-LLVKDONJSA-N 206.757 3.727 50 40 BHGB CCc1ccc2nc(CCl)sc2c1 230402697 QBYIYSCMNRJSTI-UHFFFAOYSA-N 211.717 3.598 50 40 BHGB CC[C@@H](Cl)C(=O)c1cc(F)ccc1Cl 307433546 JJYWRHGVUXDVFW-MRVPVSSYSA-N 235.085 3.679 50 40 BHGB C[C@H](CC(=O)OOC(C)(C)C)CC(C)(C)C 2581950 VSJBBIJIXZVVLQ-SNVBAGLBSA-N 230.348 3.722 50 40 BHGB CCCCOc1c(C)cc(C(=O)Cl)cc1C 95739844 YOMUZWJOBKEGRW-UHFFFAOYSA-N 240.730 3.861 50 40 BHGB CCCCCCCCSC[C@H](O)CCl 2043866 JASNOKGFPPPKKU-LLVKDONJSA-N 238.824 3.680 50 40 BHGB C[C@@H](Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 3887308 PCWHRWYTDPAXNZ-SECBINFHSA-N 239.746 3.550 50 40 BHGB Cc1ccc(C(=O)C(C)(C)CCl)cc1F 394525139 SDEWSXCEPIJOBF-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB Cc1cc(C)c(C(=O)CCCCl)cc1C 85055683 JNDRJVBMPLNVQS-UHFFFAOYSA-N 224.731 3.814 50 40 BHGB N#CSc1ccc(N)c(-c2ccccc2)c1 26508211 WZKGGCYXLOPLMA-UHFFFAOYSA-N 226.304 3.509 50 40 BHGB Fc1ccc(C(F)(F)F)c(CCCl)c1 199553179 RHYOVDXNUHGGNO-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB C[C@@]12CC3CC(N=C=S)(C1)C[C@](C)(C3)C2 162348 GXBQJLFQKPPSHC-UNTZMWQOSA-N 221.369 3.838 50 40 BHGB CC(C)(C)C1CCC(OC(=O)Cl)CC1 5351756 YXFSGPPQRCUVRL-UHFFFAOYSA-N 218.724 3.967 50 40 BHGB C[C@@H](CCBr)c1ccc(F)cc1 49781926 XDQZKYDKLQKMCT-QMMMGPOBSA-N 231.108 3.714 50 40 BHGB C[C@@H](Cl)C(=O)c1cccc(Cl)c1Cl 238427424 ILVLXNWZJMTZLU-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB C[C@H](Cl)c1nc2cc(Cl)ccc2[nH]1 34938873 JPKIWNPJNUNQTG-YFKPBYRVSA-N 215.083 3.516 50 40 BHGB ClCc1nc2c(Cl)cccc2s1 39040095 JPUJBRJTDSCBQS-UHFFFAOYSA-N 218.108 3.689 50 40 BHGB Cc1cccc(C(=O)CCCCl)c1C 85055448 YKKKANOOAUZLNA-UHFFFAOYSA-N 210.704 3.505 50 40 BHGB CC(C)CCC(=O)Oc1cccc(CCl)c1 199765951 OFHLEHFIDAFGRT-UHFFFAOYSA-N 240.730 3.767 50 40 BHGB N#C[C@@H](Cl)Cc1ccc(Cl)c(Cl)c1 36205207 AJPIJOPALPIMGE-ZETCQYMHSA-N 234.513 3.667 50 40 BHGB Fc1cccc(C(F)(F)F)c1CCl 75898746 NVMNTWHOSXLNKZ-UHFFFAOYSA-N 212.573 3.583 50 40 BHGB Fc1ccc(-c2cncc(CCl)c2)cc1 34569649 BDZPHQXGOYWJRH-UHFFFAOYSA-N 221.662 3.627 50 40 BHGB O=C(Cl)c1cc2cc(Cl)ccc2s1 52507785 VWTWOPUSFDZHLV-UHFFFAOYSA-N 231.103 3.934 50 40 BHGB O=C(O)CCCCCCCCCCCl 3640497 GVZXFVFTBUYBJD-UHFFFAOYSA-N 220.740 3.821 50 40 BHGB Nc1ccc2c(c1)-c1cc(N)ccc1SS2 3163900 LSYWMOLBZXRPSA-UHFFFAOYSA-N 246.360 3.631 50 40 BHGB O=C(Cl)C1(c2ccc(C(F)(F)F)cc2)CC1 75932335 HGBOIQJKZPGZMV-UHFFFAOYSA-N 248.631 3.502 50 40 BHGB S=C1SSC(=S)C1c1ccccc1 575629330 QORUGWYKDIGNJS-UHFFFAOYSA-N 242.415 3.820 50 40 BHGB CCCCCC[C@@H](C)OC(=O)[C@H](C)Cl 1597332 SNRMOKLQYYZTJR-ZJUUUORDSA-N 220.740 3.516 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(Cl)cc1 44135083 PTZYQEMDBNRKAS-SECBINFHSA-N 217.095 3.540 50 40 BHGB COc1ccc2cc([C@@H](C)C(=O)Cl)ccc2c1 6037132 UODROGXCIVAQDJ-SECBINFHSA-N 248.709 3.717 50 40 BHGB N#C/C(=C/c1ccc[nH]1)c1cccc(Cl)c1 208516426 BFWVNKOZJBLAFH-FLIBITNWSA-N 228.682 3.732 50 40 BHGB COc1ccc([C@@H]2C[C@H](C)C(C)=C(C#N)O2)cc1 4267474 ZWFHFXYZKAEIIS-HZMBPMFUSA-N 243.306 3.590 50 40 BHGB biogenic CC(C)(C)C1CCC2(CC1)OC[C@H](CCl)O2 134976638 KIXLXDKXQXRUSB-AKJDGMEZSA-N 246.778 3.573 50 40 BHGB CC(C)(N=C=O)c1cc(Cl)cc(Cl)c1 89261842 JXHIHGVDWPKFHP-UHFFFAOYSA-N 230.094 3.564 50 40 BHGB N#C/C(=C/Nc1ccccc1)c1ccsc1 100329377 ILFIYBBQXVIHCB-XFXZXTDPSA-N 226.304 3.725 50 40 BHGB CCO[C@@H](CCCl)c1ccc(C)cc1 1691311 NDNQMUPOOPOMJK-LBPRGKRZSA-N 212.720 3.702 50 40 BHGB CCCCC1CCC(C(=O)Cl)CC1 21812047 ZHJCVLQOKPGYDJ-UHFFFAOYSA-N 202.725 3.748 50 40 BHGB COc1ccc([C@@H](Cl)C(F)(F)F)cc1 5640152 YLITYVXPYIDNLA-MRVPVSSYSA-N 224.609 3.537 50 40 BHGB O=C(CCCCCCl)c1cccnc1Cl 2392742 YUWNGQAOWCFSCO-UHFFFAOYSA-N 246.137 3.717 50 40 BHGB C[C@]1(C(Cl)Cl)C=CC(=O)c2ccccc21 1600017 CTNFCHNIMSCIBV-LBPRGKRZSA-N 241.117 3.501 50 40 BHGB O[C@H](c1ccccc1)[C@H](Cl)c1ccccc1 1720223 ZCOFOBIIOQWUDE-ZIAGYGMSSA-N 232.710 3.700 50 40 BHGB S=C=NCc1cccc(Cl)c1Cl 200619949 BRNOAMVOHMAWRP-UHFFFAOYSA-N 218.108 3.596 50 40 BHGB Cc1ccc([C@@H]2C[C@@H](C)C=C(C#N)O2)cc1 4267461 GAPJKKVAUZBMBO-FZMZJTMJSA-N 213.280 3.500 50 40 BHGB biogenic O=C(Oc1ccccc1)c1cccc(CCl)c1 2576684 VWKTXQDBQVTOTA-UHFFFAOYSA-N 246.693 3.645 50 40 BHGB ClCc1nc(Cl)cc(C2CCCC2)n1 62701744 KNGVLLGWUMWBMD-UHFFFAOYSA-N 231.126 3.526 50 40 BHGB N#CC(C#N)=Cc1ccc(-c2ccc(F)cc2)o1 875977 LDEZTKLUAMQCTQ-UHFFFAOYSA-N 238.221 3.516 50 40 BHGB CC(C)COc1cccc(CBr)c1 36894794 ILFNTKVUIFBWRK-UHFFFAOYSA-N 243.144 3.616 50 40 BHGB in-vitro CCCCCOc1ccccc1C(=O)Cl 58002735 GTZAPCVZCOZICZ-UHFFFAOYSA-N 226.703 3.635 50 40 BHGB CCCc1ccc(C(=O)CCCCl)cc1 36161590 IPSPUVRKMQKJKT-UHFFFAOYSA-N 224.731 3.841 50 40 BHGB ClCc1nc(Cl)cc(-c2cccs2)n1 62701753 AVBOHNCZYDJOPG-UHFFFAOYSA-N 245.134 3.597 50 40 BHGB C[C@H](Cl)c1nc(-c2ccc(Cl)cc2)no1 34972891 YVIPAQAGSSUVOB-LURJTMIESA-N 243.093 3.690 50 40 BHGB in-vitro COc1ccc([C@H]2C[C@@H](C)C(C)=C(C#N)O2)cc1 4267469 ZWFHFXYZKAEIIS-QMTHXVAHSA-N 243.306 3.590 50 40 BHGB biogenic O=C(CCCCCl)c1ccc(F)cc1F 34146752 LCGOTTSPIBLKMH-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB C=C(C)CC#CC(C)(C)O[Si](C)(C)C 195802478 VPOBFXYQEWJPQE-UHFFFAOYSA-N 210.393 3.586 50 40 BHGB Cc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1 408566885 IXJFBGCPCJZKJU-MFOYZWKCSA-N 244.297 3.931 50 40 BHGB N#C/C(=C/c1cccs1)c1cccc(C#N)c1 6974400 PXGYUZISNOIJKP-JYRVWZFOSA-N 236.299 3.684 50 40 BHGB O=C(CCCCCl)c1ccccc1Cl 43210702 DZTWKLVEJWBFKX-UHFFFAOYSA-N 231.122 3.932 50 40 BHGB CC(C)(N=C=S)N=Nc1ccccc1 382354755 RSHZQNAVEYPOQI-UHFFFAOYSA-N 205.286 3.609 50 40 BHGB S=C=NCCSc1ccc(Cl)cc1 4206849 YATNGQRBSUHSAB-UHFFFAOYSA-N 229.757 3.535 50 40 BHGB Fc1ccc2cccc(CBr)c2c1 59256347 VVYGMSYOLOXJAN-UHFFFAOYSA-N 239.087 3.874 50 40 BHGB in-vitro CCCc1ccc(CBr)cc1 67172201 ICPVFOAWQNIBBW-UHFFFAOYSA-N 213.118 3.534 50 40 BHGB in-vitro ClCCc1c[nH]c2ccc(Cl)cc12 199795897 ISAKDLMXQQUBPS-UHFFFAOYSA-N 214.095 3.603 50 40 BHGB CC(C)=C[C@H]1[C@H](CBr)C1(C)C 1665532 OGQOSLYUJWDNEJ-IUCAKERBSA-N 217.150 3.620 50 40 BHGB C[C@@H](Cl)c1nc2cc(Cl)ccc2[nH]1 34938874 JPKIWNPJNUNQTG-RXMQYKEDSA-N 215.083 3.516 50 40 BHGB ClCCc1c[nH]c2cc(Cl)ccc12 228914821 ANDLHRSWDZTHPO-UHFFFAOYSA-N 214.095 3.603 50 40 BHGB ClCC#Cc1ccc(-c2ccccc2)cc1 57840841 XWUQBXSOBJQJTA-UHFFFAOYSA-N 226.706 3.944 50 40 BHGB CCCN(CCC)c1ccc(SC#N)cc1 1587754 DKEOWPYAHSDWDA-UHFFFAOYSA-N 234.368 3.886 50 40 BHGB CCCCCCCCSC[C@@H](O)CCl 1847373 JASNOKGFPPPKKU-NSHDSACASA-N 238.824 3.680 50 40 BHGB Cc1nc(-c2ccc(C(=O)Cl)s2)cs1 2582846 ZZDMLMTYYXWSBJ-UHFFFAOYSA-N 243.740 3.559 50 40 BHGB ClCc1ncc(-c2ccc(Cl)cc2)o1 163037 CJIWAFOZOWCQFI-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB in-vitro N#C/C(=C\c1ccccc1)c1ccccc1F 1597783 ANBDHGGYZFCPBU-JLHYYAGUSA-N 223.250 3.890 50 40 BHGB Cc1ccc(C(=O)CCCCCl)cc1F 2517993 WSLAWWCSIYHXOS-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB ClC(Cl)[C@@H](Cl)c1ccccc1 2042656 IIFUYAJFOYKHRA-ZETCQYMHSA-N 209.503 3.770 50 40 BHGB N#C/C(=C/c1ccsc1)c1ccccc1F 34746806 UONUWEJUQUAXKP-XFFZJAGNSA-N 229.279 3.951 50 40 BHGB N#CC(C#N)=Cc1ccc(-c2cccc(F)c2)o1 4545338 AAMZQJVJAMVZMA-UHFFFAOYSA-N 238.221 3.516 50 40 BHGB COC(=O)CCCCCCCCCCCl 33952933 RKMPNBDVLMFSPW-UHFFFAOYSA-N 234.767 3.909 50 40 BHGB O=C(Cl)c1cccc2c1Cc1ccccc1-2 1724365 XPKVREAMGZMEDB-UHFFFAOYSA-N 228.678 3.637 50 40 BHGB CC(C)N(C(=O)Cl)c1ccc(F)cc1F 147550353 ZFJOSANCARMUBD-UHFFFAOYSA-N 233.645 3.538 50 40 BHGB BrCCCSCc1ccccc1 35321674 ALSWGXGRTQDHEB-UHFFFAOYSA-N 245.185 3.705 50 40 BHGB Cc1ccc([C@@H](Cl)C(F)(F)F)cc1 1686413 SOBQAWIVIICAHC-MRVPVSSYSA-N 208.610 3.837 50 40 BHGB CCCCOc1cc(C(=O)Cl)cc(F)c1F 95739775 DKGOBWSXEWNZQW-UHFFFAOYSA-N 248.656 3.523 50 40 BHGB Cc1ccc(/C(C#N)=C/c2ccco2)cc1 70342 YRXSLWNCSDVGNT-UKTHLTGXSA-N 209.248 3.652 50 40 BHGB CCCCCOc1cccc(C(=O)Cl)c1 33433818 OFQCLVMZAFVYNN-UHFFFAOYSA-N 226.703 3.635 50 40 BHGB C[C@@H](CBr)Oc1ccccc1Cl 41305027 FOABWHGZPRANBI-ZETCQYMHSA-N 249.535 3.502 50 40 BHGB CC(C)CCCCCCBr 2392189 AILBUXWGBTVZKT-UHFFFAOYSA-N 207.155 3.988 50 40 BHGB C[C@H](Cl)C(=O)c1c(Cl)cccc1Cl 238421343 FIUZAOKFPOIXQR-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB CC1(C)CCC(CBr)CC1 85663626 ZUZBRSXFMYGTEU-UHFFFAOYSA-N 205.139 3.598 50 40 BHGB in-vitro CC1=C(C=O)C[C@H]2[C@@H](CCCC2(C)C)C1 2126445 YXDYSEASWHVHDK-AAEUAGOBSA-N 206.329 3.738 50 40 BHGB biogenic N#C[C@@H](Cl)c1cccc(Cl)c1Cl 45626725 DUZHRXYEQZXKDQ-SSDOTTSWSA-N 220.486 3.797 50 40 BHGB Cc1csc(/C(C#N)=C/C=C/c2ccco2)n1 2809768 ISXCCDVUYPUTPB-MQDUBEMKSA-N 242.303 3.665 50 40 BHGB CC(C)CCOc1cc(C(=O)Cl)ccc1F 95739797 FYXFCUHKHYBUJU-UHFFFAOYSA-N 244.693 3.630 50 40 BHGB CSc1ccccc1C(=O)CCCCl 382684256 DGUZAVFTYXKFCW-UHFFFAOYSA-N 228.744 3.610 50 40 BHGB S=C=Nc1cc(Br)ccc1Cl 71137083 HHJVYKIKOGHZRC-UHFFFAOYSA-N 248.532 3.837 50 40 BHGB C[C@H](Cl)C(=O)c1cccc(Cl)c1Cl 238425231 ILVLXNWZJMTZLU-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB N#C/C=C/c1ccccc1OCc1ccccc1 6885257 CORWULQOMOXBMZ-UXBLZVDNSA-N 235.286 3.802 50 40 BHGB C[Si](C)(CCl)CCCO[Si](C)(C)C 195760976 XWHILIPGGPXQNV-UHFFFAOYSA-N 238.907 3.714 50 40 BHGB C[C@H]1CC[C@@](C)(CBr)C1(C)C 217714966 AHHDLRSKCJNVCI-WPRPVWTQSA-N 219.166 3.844 50 40 BHGB CCc1ccc([C@@H](C)CC(=O)Cl)cc1 11629160 JRUCTKLAWOIDIZ-VIFPVBQESA-N 210.704 3.508 50 40 BHGB CC(C)C/C=C(\C#N)c1nc2ccccc2[nH]1 51075413 SZHRTMBVAAVSPF-DHZHZOJOSA-N 225.295 3.516 50 40 BHGB Fc1ccc2nc(Cl)cc(CCl)c2c1 526059766 BEEPMZHQQXKMKF-UHFFFAOYSA-N 230.069 3.766 50 40 BHGB C[C@@H](Br)c1ccc(Cl)cc1 57214473 JYQIUMNHRQYUHC-ZCFIWIBFSA-N 219.509 3.796 50 40 BHGB in-vitro CCCCSc1cccc(C(=O)Cl)c1 95739468 JBGBWKDXFXORTN-UHFFFAOYSA-N 228.744 3.958 50 40 BHGB FC(F)Oc1ccc(Cl)cc1CCl 20283434 CWKGTRBFPLUGEM-UHFFFAOYSA-N 227.037 3.680 50 40 BHGB CSc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1 44027213 CLJSRLIYRHKGAI-XYOKQWHBSA-N 245.347 3.541 50 40 BHGB CCCCCOc1cc(F)cc(C(=O)Cl)c1 95739808 AXPKSRWDVHZLMG-UHFFFAOYSA-N 244.693 3.774 50 40 BHGB CC(C)=CCC[C@@](C)(Cl)[C@H](Cl)C=O 100086081 FPGSVUOYNGKPSG-NXEZZACHSA-N 223.143 3.537 50 40 BHGB C=C(O[Si](C)(C)C)c1cc(F)cc(F)c1 205116532 XPPJUSIAKWDEEX-UHFFFAOYSA-N 228.314 3.787 50 40 BHGB N#C/C(=C\[C@H]1CC=CCC1)c1nc2ccccc2[nH]1 122094 QKMTWUWWDIDYLL-CVCOIXHCSA-N 249.317 3.826 50 40 BHGB Cc1cc(C)c(C#CCCCCl)cc1C 95633899 WJMDBEPSJIPAJZ-UHFFFAOYSA-N 220.743 3.982 50 40 BHGB CCCCCCC/C=N/NC(=O)c1ccccc1 97962839 QGKCVWXXBFJINB-DTQAZKPQSA-N 246.354 3.763 50 40 BHGB Cc1cccc(C(=O)CCCCCCl)c1 2514112 CLPZJWYVYQWTPV-UHFFFAOYSA-N 224.731 3.977 50 40 BHGB CCCC[C@H](CC)C(=O)OOC(C)(C)CC 100286082 IFXDUNDBQDXPQZ-NSHDSACASA-N 230.348 3.866 50 40 BHGB Cc1ccc(C(=O)CCCCCl)cc1 2565570 GNPKJMCOXZKEIJ-UHFFFAOYSA-N 210.704 3.587 50 40 BHGB CC(C)Oc1ccccc1C(=O)CCCCl 87511362 HMKNYNZHULOEDM-UHFFFAOYSA-N 240.730 3.676 50 40 BHGB FC(F)(F)c1ccc(CCl)c(C2CC2)n1 90500374 PQRODQYHVBPXTR-UHFFFAOYSA-N 235.636 3.717 50 40 BHGB C/C(=C\CCBr)c1ccccc1 49781624 QXCDKFHIJUHTFG-UXBLZVDNSA-N 225.129 3.875 50 40 BHGB Cc1cc(C(=O)Cl)c2c(Cl)cccc2n1 685937666 WUKKJOUZUANKCB-UHFFFAOYSA-N 240.089 3.576 50 40 BHGB C[C@H](Cl)c1nnc(-c2cccc(Cl)c2)o1 4207070 GZDXPNTZDUHKJL-LURJTMIESA-N 243.093 3.690 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(F)c(Cl)c1 307273746 KLSUUSQFZBQMEL-SSDOTTSWSA-N 235.085 3.679 50 40 BHGB CC(C)(C)OC(=O)Nc1ccc(CCl)cc1 67172043 FRHLNTUJMCHWBT-UHFFFAOYSA-N 241.718 3.772 50 40 BHGB CCC[C@H]1CC[C@H](CBr)CC1 245204648 FNUWTRXUMODLEK-MGCOHNPYSA-N 219.166 3.988 50 40 BHGB Clc1ccc2c(c1)[C@H](Cl)CCC2 49634884 KOIYZWDKDIGNLU-SNVBAGLBSA-N 201.096 3.956 50 40 BHGB CC(C)n1c(CCCCl)nc2ccccc21 36895991 OFWCOHJOIMUHDR-UHFFFAOYSA-N 236.746 3.789 50 40 BHGB FC(F)(F)C1=NC=C(c2ccccc2)[C@@H]1Cl 64219776 XRNPSSRBSYKROI-VIFPVBQESA-N 245.631 3.652 50 40 BHGB CC[C@H](C)CCCCCBr 139132432 TWDAVWNDGHYAJZ-VIFPVBQESA-N 207.155 3.988 50 40 BHGB O=C(Cc1ccccc1)c1cccc(CCl)c1 26896931 ZMMAFWHJLFTPKD-UHFFFAOYSA-N 244.721 3.851 50 40 BHGB Fc1cc(F)cc([C@@H](Cl)CCCl)c1 1857793260 AYLYKGBMBQXHHX-VIFPVBQESA-N 225.065 3.874 50 40 BHGB Fc1ccc(CCl)c(C(F)(F)F)c1 2559516 FZTZSNPJDFLZOZ-UHFFFAOYSA-N 212.573 3.583 50 40 BHGB O=C(Cl)c1cccc(CCc2ccccc2)c1 228914912 JVLRFTKGJTXWNO-UHFFFAOYSA-N 244.721 3.851 50 40 BHGB CCCCCOc1ccc(C=C(C#N)C#N)cc1 57825113 BSHNQLZMJWDFMX-UHFFFAOYSA-N 240.306 3.686 50 40 BHGB N#CC(C#N)=C(/C=C/c1cccc(F)c1)C1CC1 4401834 BUSPIOCLBYWYGS-QPJJXVBHSA-N 238.265 3.593 50 40 BHGB O=C(CCCCCl)c1ccc(Cl)cc1 34260772 POHZTGANJADNQV-UHFFFAOYSA-N 231.122 3.932 50 40 BHGB O[C@H](C1CCCCC1)[C@H]1CCCC[C@@H]1Cl 5566760 VYYCBGHMCNFOGW-RWMBFGLXSA-N 230.779 3.725 50 40 BHGB Fc1cc(CBr)cc(F)c1Cl 96029414 KMIYNRQZRCWRHY-UHFFFAOYSA-N 241.462 3.513 50 40 BHGB CC1=C2[C@H](/C=C(/C)C=O)CC[C@@H](C)[C@H]2CC1 6031076 RJZWGDPBGWGJNU-OQDDGJPTSA-N 218.340 3.904 50 40 BHGB S=C=NCc1cccc(-c2ccccc2)c1 36533357 STVGQXUUBQCTLK-UHFFFAOYSA-N 225.316 3.956 50 40 BHGB Cc1ccc(/C(C#N)=C/c2ccc(O)cc2)cc1 560340 FKCJLOLHOQKVFL-XNTDXEJSSA-N 235.286 3.765 50 40 BHGB N#CC(C#N)=C(/C=C/c1cccs1)C1CC1 3164269 YHPJHMZKYBHQPO-AATRIKPKSA-N 226.304 3.515 50 40 BHGB C[C@@](Cl)(CCl)C(Cl)(Cl)Cl 2044438 OAKLYBYUOVAPHJ-GSVOUGTGSA-N 230.349 3.593 50 40 BHGB Cc1ccc(/C=C(/C#N)c2cccc(C#N)c2)o1 408567649 PDGJDZCPGFXCQZ-ZSOIEALJSA-N 234.258 3.524 50 40 BHGB CCc1ccccc1C(=O)CCCCCl 382677553 YXXOSOJGAOOPOF-UHFFFAOYSA-N 224.731 3.841 50 40 BHGB Cc1[nH]c2ccc(Cl)cc2c1C(=O)CCl 523761 BQSUCHSXFWODJO-UHFFFAOYSA-N 242.105 3.551 50 40 BHGB Cc1cc(C(=O)Cl)c(F)cc1C(F)(F)F 91252087 UDEWPGOZXPREEI-UHFFFAOYSA-N 240.583 3.532 50 40 BHGB Cc1cc(C)c(NC(=O)CCCCl)c(C)c1 3886251 JLSHBNHLTMDYRK-UHFFFAOYSA-N 239.746 3.569 50 40 BHGB in-vitro Cc1cc(CCl)cnc1Nc1ccccc1 72222266 OPZADUBJCHWSCY-UHFFFAOYSA-N 232.714 3.872 50 40 BHGB CCCCc1ccc(C(=O)[C@@H](C)Cl)cc1 19803161 QUXCQUSTHZININ-SNVBAGLBSA-N 224.731 3.839 50 40 BHGB BrCc1cccc2sccc12 34364019 BWSYNCRSNIKJGK-UHFFFAOYSA-N 227.126 3.796 50 40 BHGB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Br)C2 100913048 OTOQMOVZIUGCQE-NRPADANISA-N 217.150 3.596 50 40 BHGB FC(F)(F)Oc1ccc(CCl)cc1Cl 2540207 BGCYQCFQJISREP-UHFFFAOYSA-N 245.027 3.977 50 40 BHGB CC(C)(N=C=S)/N=N/c1ccccc1 5187950 RSHZQNAVEYPOQI-OUKQBFOZSA-N 205.286 3.609 50 40 BHGB COc1ccc(/C=C(\C#N)c2cccs2)cc1 3305463 YROFJLFBMOWCOS-FMIVXFBMSA-N 241.315 3.821 50 40 BHGB Cc1cc(C)c2ncc(CCl)cc2c1 72226738 ZORBCOGCKRBTRT-UHFFFAOYSA-N 205.688 3.590 50 40 BHGB CC(C)c1ccc(C#CCBr)cc1 95633090 SGFHJEZYHSGOHV-UHFFFAOYSA-N 237.140 3.556 50 40 BHGB N#C/C(=C/c1ccco1)C1CCCCC1 1735547 DMZKPWXZRXWYSG-XFXZXTDPSA-N 201.269 3.767 50 40 BHGB C[C@@H](Cl)c1ccc(OC(F)(F)F)cc1 20377828 FMKOVXXCOSGLCT-ZCFIWIBFSA-N 224.609 3.885 50 40 BHGB in-vitro Fc1ccc(CCCCl)c(F)c1Cl 199754265 DHEOMCTUEDLQQQ-UHFFFAOYSA-N 225.065 3.790 50 40 BHGB ClCCOCc1ccc(Cl)c(Cl)c1 1712818 RVRCNAWPFFVKDA-UHFFFAOYSA-N 239.529 3.749 50 40 BHGB BrC1[C@@H]2c3cccc4cccc(c34)[C@H]12 71785824 FGGVZZZAHZYRMY-FUNVUKJBSA-N 245.119 3.798 50 40 BHGB CC(C)(C)[Si](C)(C)OC1(CC=O)CCCC1 536949825 FVPREYQVYQRFHD-UHFFFAOYSA-N 242.435 3.910 50 40 BHGB CCCCCN1C(C)=CC(=C(C#N)C#N)C=C1C 3166216 ZHNYHUDIKXFRNI-UHFFFAOYSA-N 241.338 3.644 50 40 BHGB O[C@H](C1CCCCC1)[C@@H]1CCCC[C@@H]1Cl 5566759 VYYCBGHMCNFOGW-FRRDWIJNSA-N 230.779 3.725 50 40 BHGB Cc1ccc(OCCC(C)C)c(C(=O)Cl)c1 95739838 KBHHXLWUFWFIAE-UHFFFAOYSA-N 240.730 3.799 50 40 BHGB NCc1cccc(S(F)(F)(F)(F)F)c1 97950010 FJOVSWPDVAFUMX-UHFFFAOYSA-N 233.205 3.803 50 40 BHGB Cc1cccc(OP(=O)(Cl)Cl)c1 101342152 XSUSEDGKQCJMBW-UHFFFAOYSA-N 225.011 3.960 50 40 BHGB ClCC#Cc1ccc(Cl)c(Cl)c1 57840780 SGEWCBRARMHKNC-UHFFFAOYSA-N 219.498 3.584 50 40 BHGB FC(F)(F)c1cccc(CCCCl)c1 58003617 ZEDVMJISOHNIAU-UHFFFAOYSA-N 222.637 3.877 50 40 BHGB O=P(Cl)(Cl)C(Cl)(Cl)Cl 100053726 IZCROZIPMHFQSU-UHFFFAOYSA-N 236.249 3.985 50 40 BHGB Cc1ccc(F)cc1C(=O)CCCCCl 382708122 VMNBNOVYRKQVQX-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB N#C/C(=C/c1ccsc1)C(=O)c1ccccc1 5810725 KZVMODBOSJMHOE-JYRVWZFOSA-N 239.299 3.538 50 40 BHGB CSc1ccc(C(=O)C(C)(C)CCl)cc1 382676264 RYIGAZALRLLHLZ-UHFFFAOYSA-N 242.771 3.856 50 40 BHGB Cl[C@@H]1CCC[C@H]1P(Cl)Cl 108420965 KREVKOKRTUIRLX-RFZPGFLSSA-N 205.452 3.936 50 40 BHGB ClCc1ccc(CCl)c(Cl)c1 1605845 PEINXWCAGXQIRL-UHFFFAOYSA-N 209.503 3.818 50 40 BHGB CCCCCCCC[C@H]1OC[C@H](CCl)O1 1674875 PBEQIZISCGTLQB-RYUDHWBXSA-N 234.767 3.717 50 40 BHGB O=C(Cl)c1c(Cl)ccc(Cl)c1F 38529758 HJKPBFBHBLRYPL-UHFFFAOYSA-N 227.449 3.512 50 40 BHGB Cc1cc(Oc2ccccc2)ncc1CCl 72223145 QFMXOGUHKXKLSB-UHFFFAOYSA-N 233.698 3.921 50 40 BHGB COc1ccc([C@H](C)Br)cc1Cl 40279039 SMRVRTFXJQNAJK-LURJTMIESA-N 249.535 3.805 50 40 BHGB CCc1cccc(C(=O)CCCCCl)c1 394686697 ICKQCEVBIFDQEC-UHFFFAOYSA-N 224.731 3.841 50 40 BHGB FC(F)(F)c1ccc(CCl)c(CCl)n1 97950268 LDAJXLATKMNLOI-UHFFFAOYSA-N 244.043 3.578 50 40 BHGB CCN(C(=O)Cl)C12CC3CC(CC(C3)C1)C2 408734518 WTUSXMPHNYCUBZ-UHFFFAOYSA-N 241.762 3.636 50 40 BHGB CCc1nc(/C(C#N)=C\c2ccco2)sc1C 48355072 YWMQNUKFNALGBS-YFHOEESVSA-N 244.319 3.671 50 40 BHGB N#C/C(=C\c1cccc(F)c1)c1ccccc1 3310941 NXICLTNYVZCWMS-NTEUORMPSA-N 223.250 3.890 50 40 BHGB CCCCOc1cc(C)c(C(=O)Cl)c(C)c1 95739790 FDPFLMASHCPTTM-UHFFFAOYSA-N 240.730 3.861 50 40 BHGB O=C(NN=C1CCCCCC1)Nc1ccccc1 22015314 FGTCNCFXFXMYRZ-UHFFFAOYSA-N 245.326 3.518 50 40 BHGB CCCn1c([C@H](C)Cl)nc2ccccc21 36895958 WIVQPVCPJLDYPC-VIFPVBQESA-N 222.719 3.746 50 40 BHGB CC[C@@H](Cl)C(=O)c1cccc(F)c1Cl 306417987 SQJXLJABYPXQGB-SSDOTTSWSA-N 235.085 3.679 50 40 BHGB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Cl 2643990 NLKTVLRJPSPMJX-ZJUUUORDSA-N 239.746 3.766 50 40 BHGB Clc1ccc([C@@H]2C[C@@H]2Br)cc1 242390216 AFGDANXTHKZERM-IUCAKERBSA-N 231.520 3.591 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(F)cc1Cl 307196244 SWAUSILFVIGUBK-MRVPVSSYSA-N 235.085 3.679 50 40 BHGB COc1cccc2nc(Cl)c(CCl)cc12 685936874 BIBNGXQQNADEHH-UHFFFAOYSA-N 242.105 3.636 50 40 BHGB ClCCOc1c(Cl)cccc1Cl 3298535 JPMZGMMHZRWZHR-UHFFFAOYSA-N 225.502 3.611 50 40 BHGB N#C/C(=C/c1ccccc1)c1ccccc1 1081284 VFOKYTYWXOYPOX-PTNGSMBKSA-N 205.260 3.751 50 40 BHGB in-vitro Cc1ccccc1SC[C@H](C)CCl 70067205 PXJTXQPBZWBSMC-SECBINFHSA-N 214.761 3.962 50 40 BHGB CC(C)CSc1cccc(C(=O)Cl)c1 95739832 KVQJMQFFBZGZOO-UHFFFAOYSA-N 228.744 3.814 50 40 BHGB BrC[C@@H]1CCCc2ccccc21 54711051 KALOJGOUZQSEGH-JTQLQIEISA-N 225.129 3.501 50 40 BHGB in-vitro ClCc1cc(-c2cccc(Cl)c2)no1 57517877 HROJXBHCZJBNSH-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB ClCc1nc2cc(Cl)ccc2s1 34482204 LNZBRKLHATUCPG-UHFFFAOYSA-N 218.108 3.689 50 40 BHGB in-vitro Cc1cc(CBr)c(Cl)cc1F 87974664 GHZPWODBGNIGPJ-UHFFFAOYSA-N 237.499 3.682 50 40 BHGB ClC(Cl)CC(Cl)(Cl)Cl 2507811 VVWFZKBKXPXGBH-UHFFFAOYSA-N 216.322 3.550 50 40 BHGB CC(C)c1ccc(-c2nc(CCl)no2)cc1 20284421 FTWNXFSXINDCCH-UHFFFAOYSA-N 236.702 3.599 50 40 BHGB O=C(CCCCl)c1ccc(Cl)cc1F 87263820 AFRQYTJRTSEECQ-UHFFFAOYSA-N 235.085 3.681 50 40 BHGB ClCCCCC#CCCCCCl 100076847 CTOHFAAYTPDOQX-UHFFFAOYSA-N 207.144 3.808 50 40 BHGB ClCCCCC(Cl)(Cl)Cl 1866902 VZEWJVRACUZHQR-UHFFFAOYSA-N 209.931 3.766 50 40 BHGB Cc1ccccc1C(=O)CCCCCl 2514106 QEEWUFQNFKYVII-UHFFFAOYSA-N 210.704 3.587 50 40 BHGB Cc1ccc(C(=O)[C@@H](C)Cl)c2ccccc12 36182978 JWBFPKXVLFOGDN-SNVBAGLBSA-N 232.710 3.958 50 40 BHGB BrC[C@H]1CC[C@@H]1c1ccccc1 217790937 HWIARBLFVBMNLB-GHMZBOCLSA-N 225.129 3.575 50 40 BHGB N#C/C(=C\c1cccc(C#N)c1)c1ccccc1 1624760 CXJKVFRICVKGEU-MHWRWJLKSA-N 230.270 3.622 50 40 BHGB Fc1c(F)c(F)c(SCl)c(F)c1F 95730928 ILZYHMZOLCNNCP-UHFFFAOYSA-N 234.576 3.628 50 40 BHGB C[C@@H](Cl)C(=O)c1c(Cl)cccc1Cl 238424804 FIUZAOKFPOIXQR-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB COc1c(Cl)cc(C(C)C)cc1C(=O)Cl 57339164 SIAZEDPZWVJOLO-UHFFFAOYSA-N 247.121 3.851 50 40 BHGB BrC[C@@H]1CC[C@@H]1c1ccccc1 217790853 HWIARBLFVBMNLB-WDEREUQCSA-N 225.129 3.575 50 40 BHGB Cc1cccc(C(=O)CCCCCl)c1C 382703523 QKJQFIYRSNFMGL-UHFFFAOYSA-N 224.731 3.895 50 40 BHGB Cc1ccc(/C(Cl)=C/C=C(C#N)C#N)cc1 2556208 MTQCJPNCSBYEMH-QPEQYQDCSA-N 228.682 3.548 50 40 BHGB Cl[C@H](CNC1CCCCC1)c1ccccc1 6581827 KEUWMFKUNPWWOT-CQSZACIVSA-N 237.774 3.889 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)cc1 44135081 PTZYQEMDBNRKAS-VIFPVBQESA-N 217.095 3.540 50 40 BHGB CC(C)CCOc1ccc(F)cc1C(=O)Cl 95739771 BFDRADAQPUCONB-UHFFFAOYSA-N 244.693 3.630 50 40 BHGB C[C@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 36179900 XLSUKENQJDZSCX-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB Fc1cc(CCl)c(Cl)cc1Cl 164410727 FKRWWHUGFKOPRN-UHFFFAOYSA-N 213.466 3.871 50 40 BHGB FC(F)(F)c1ccc2c(c1)[C@H](Cl)CC2 149000766 GSDGOTCNZNJXPN-SECBINFHSA-N 220.621 3.932 50 40 BHGB N#C/C(=C\c1c[nH]c2ccccc12)c1ccccn1 6209266 CVFMNSNFNSSDPC-FMIVXFBMSA-N 245.285 3.627 50 40 BHGB Cc1cccc2cc(CCCl)c(Cl)nc12 11985621 JGXGLVKAPGSCHE-UHFFFAOYSA-N 240.133 3.978 50 40 BHGB CC[C@H](Cl)C(=O)c1c(C)cc(C)cc1C 71423571 RCGCDZXKGXRDAS-NSHDSACASA-N 224.731 3.812 50 40 BHGB COc1cc(CCl)cc(Cl)c1OC(C)C 17043820 FSSFLUCATAIYEP-UHFFFAOYSA-N 249.137 3.875 50 40 BHGB O=C(Cl)c1ccc(-c2ccc(F)cc2)cc1 143262723 JVNPYEWTCDJEFW-UHFFFAOYSA-N 234.657 3.872 50 40 BHGB C[C@H]1CC(=O)[C@H]2C[C@H](Cl)CC[C@]2(C)[C@@H]1C 5104304 JEZXHSUHLBZFSK-ZZZDWPBISA-N 228.763 3.645 50 40 BHGB CCO/C(C)=C(\C#N)c1ccc(Cl)cc1 1749398 JGMPKJMVSCDPMP-FMIVXFBMSA-N 221.687 3.631 50 40 BHGB N#Cc1ccc(C(=O)CCCCCCl)cc1 43212759 JCPXBHYLQIMTDC-UHFFFAOYSA-N 235.714 3.540 50 40 BHGB Cc1cc(C)c(CCBr)c(C)c1 71423655 PNZNRRLYMLDCQJ-UHFFFAOYSA-N 227.145 3.549 50 40 BHGB Cc1csc(/C(C#N)=C\c2cccc(F)c2)n1 96021631 TUHKVEGLHNFBFQ-WZUFQYTHSA-N 244.294 3.655 50 40 BHGB CC[C@@H](Cl)C(=O)c1cccc(C)c1C 306704098 NDPCOOWJRXXITN-LLVKDONJSA-N 210.704 3.504 50 40 BHGB Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1C 40139563 APTNQSIYGCKXHZ-NTEUORMPSA-N 241.334 3.826 50 40 BHGB CC[C@@H](Cl)C(=O)c1c(C)cccc1Cl 306404973 BOUGZKDVVIGXMV-MRVPVSSYSA-N 231.122 3.849 50 40 BHGB CCc1cc(C(=O)[C@@H](C)Cl)ccc1Cl 307030080 PBUPNXMBOQWNGS-SSDOTTSWSA-N 231.122 3.712 50 40 BHGB Cc1cc(OCC(C)C)cc(C)c1C(=O)Cl 95739791 IKKHXQVLBYOUIR-UHFFFAOYSA-N 240.730 3.717 50 40 BHGB CCCCc1ccc(C#CCCl)cc1 57840881 QJOQLGYKJHZFMQ-UHFFFAOYSA-N 206.716 3.620 50 40 BHGB CCCCCCCCCCNCCCl 100923950 IRDLPRTXWRVNMY-UHFFFAOYSA-N 219.800 3.956 50 40 BHGB CC(C)(CCl)C(=O)c1c[nH]c2ccccc12 199769932 XAOVXXZHCNKHPD-UHFFFAOYSA-N 235.714 3.616 50 40 BHGB BrC[C@H]1CC[C@H]1c1ccccc1 217791096 HWIARBLFVBMNLB-MNOVXSKESA-N 225.129 3.575 50 40 BHGB CSc1ccc(C(=O)CCCCl)cc1 71453271 FRQKILXZWWFJMW-UHFFFAOYSA-N 228.744 3.610 50 40 BHGB Cc1oc(-c2cc(F)cc(F)c2)nc1CCl 39320636 NMSAJRNCTPMONL-UHFFFAOYSA-N 243.640 3.667 50 40 BHGB Cc1sc2nc(CCl)nc(Cl)c2c1C 3286647 OHVYKBHIJQAUSD-UHFFFAOYSA-N 247.150 3.700 50 40 BHGB ClCCCC#Cc1cccc(Cl)c1 95631799 XENNDGVAQLUIBQ-UHFFFAOYSA-N 213.107 3.711 50 40 BHGB C[C@@H](Cl)C(=O)Nc1ccccc1C(C)(C)C 35222631 PUOBJXKRIYIOJT-SECBINFHSA-N 239.746 3.550 50 40 BHGB in-vitro BrC[C@@H]1CC[C@H]1c1ccccc1 217791017 HWIARBLFVBMNLB-QWRGUYRKSA-N 225.129 3.575 50 40 BHGB Cc1cc(C=C(C#N)C#N)c(C)n1C1CCCC1 786586 VNMAZMDZRPTEEL-UHFFFAOYSA-N 239.322 3.651 50 40 BHGB ClCC[C@@H](c1ccccc1)N1CCCCC1 3636794 DTNZEFUNBWIRIP-AWEZNQCLSA-N 237.774 3.843 50 40 BHGB CCOc1ccccc1C(C)(C)CCl 342718 QSTXUWDNHBTZGA-UHFFFAOYSA-N 212.720 3.602 50 40 BHGB S=C=NCCCCCCCCN=C=S 2390124 LVGANCPXXODGKA-UHFFFAOYSA-N 228.386 3.533 50 40 BHGB in-vitro O=C/C=C/c1ccc(-c2ccccc2Cl)o1 8729316 WIJLDDAOIMZBMA-ONEGZZNKSA-N 232.666 3.812 50 40 BHGB Fc1ccc(Cl)c(CBr)c1F 91251921 QQNVQIPCUVOBAT-UHFFFAOYSA-N 241.462 3.513 50 40 BHGB Cl[C@H]1CCC[C@@H]1P(Cl)Cl 108420963 KREVKOKRTUIRLX-WHFBIAKZSA-N 205.452 3.936 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(Cl)cc1C 307638239 XTYZSEHXEVXILS-SNVBAGLBSA-N 231.122 3.849 50 40 BHGB Fc1ccc2scc(CBr)c2c1 34111973 HYODAXDYNBOLPB-UHFFFAOYSA-N 245.116 3.935 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(Cl)cc1F 307700191 PYGKXXLDRXMZHQ-MRVPVSSYSA-N 235.085 3.679 50 40 BHGB S=C=Nc1ccc2nc3ccccc3nc2c1 526059757 PHFBZZMKOZHHEF-UHFFFAOYSA-N 237.287 3.517 50 40 BHGB N#C/C(=C/c1ccccc1)c1ccc(F)cc1 1597788 AWMKCXLADSGTQN-UVTDQMKNSA-N 223.250 3.890 50 40 BHGB CCc1ccc(C(=O)CCCCCl)cc1 147595693 JQFHCLMJXLHHAU-UHFFFAOYSA-N 224.731 3.841 50 40 BHGB Cc1cccc(OCCCCBr)c1 1871252 XCNIRIPYHZCPPA-UHFFFAOYSA-N 243.144 3.549 50 40 BHGB C[C@@H](Br)c1cccc(Cl)c1 57214475 GYMHOIORCMJXQL-ZCFIWIBFSA-N 219.509 3.796 50 40 BHGB in-vitro ClCCc1cc(Cl)cc(Cl)c1 82955054 RGVBVFDMCNQWMO-UHFFFAOYSA-N 209.503 3.775 50 40 BHGB in-vitro C=CCCCCCC[Si](C)(C)OC 197280230 IUDRMQGUIUVQER-UHFFFAOYSA-N 200.398 3.974 50 40 BHGB Cc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1 5723040 MOYRFPCCRHDEJW-LFIBNONCSA-N 247.297 3.785 50 40 BHGB Fc1cc(Cl)cc(C#CCCCCl)c1 95633349 CTOHKGKNICFXAZ-UHFFFAOYSA-N 231.097 3.850 50 40 BHGB CCCc1ccc(CCCC(=O)Cl)cc1 36161587 UOHCUGMDXMJJLC-UHFFFAOYSA-N 224.731 3.727 50 40 BHGB Br[C@@H](c1ccccc1)C1CCC1 58143834 KMCZVBKGQSSCRG-NSHDSACASA-N 225.129 3.923 50 40 BHGB C=Cc1ccc(C(=O)CCCCl)cc1 382681328 BGGREFODCQYMFK-UHFFFAOYSA-N 208.688 3.531 50 40 BHGB COC(=O)c1sc(C(C)(C)C)cc1CCl 165001 NFZZRCUNYOSAMK-UHFFFAOYSA-N 246.759 3.571 50 40 BHGB CC(C)(C)[Si](C)(C)OCC#C[Si](C)(C)C 195838305 OLHFFHGEURNIFX-UHFFFAOYSA-N 242.511 3.889 50 40 BHGB in-vitro CC(C)[Si](OC1(C=O)CC1)(C(C)C)C(C)C 196104939 KXIGCGAYUCTEDP-UHFFFAOYSA-N 242.435 3.910 50 40 BHGB in-vitro Cc1ccc(Cl)cc1NC(=O)CCCCl 2027827 FRDQBVOBJLUPRO-UHFFFAOYSA-N 246.137 3.606 50 40 BHGB Fc1c(CBr)ccc2ccccc12 59482129 PAHUXWTYHZWLRB-UHFFFAOYSA-N 239.087 3.874 50 40 BHGB CC(C)CCC(=O)Oc1ccc(CCl)cc1 199561186 QVUIOTSFZMTQOX-UHFFFAOYSA-N 240.730 3.767 50 40 BHGB CC(C)(C#Cc1cccs1)O[Si](C)(C)C 238199672 DYOKYAIGKCGPKD-UHFFFAOYSA-N 238.428 3.730 50 40 BHGB CC(F)(F)c1ccc(CBr)cc1 202174143 WGHSEVUFGUSOOB-UHFFFAOYSA-N 235.071 3.693 50 40 BHGB CSc1sc(SC#N)cc1SC#N 2299985 OHOTUMFNRLKCEJ-UHFFFAOYSA-N 244.391 3.616 50 40 BHGB ClCc1ccc(Nc2ccccc2)nc1 72225294 AGJRZKVOEGPTNA-UHFFFAOYSA-N 218.687 3.564 50 40 BHGB Cl[C@H]1CCC[C@H]1P(Cl)Cl 108420962 KREVKOKRTUIRLX-CRCLSJGQSA-N 205.452 3.936 50 40 BHGB N#CC(=CNc1ccccc1)c1ccccc1 2049243846 YJHCLJGOGRJTPH-UHFFFAOYSA-N 220.275 3.663 50 40 BHGB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Br)C2 49942690 OTOQMOVZIUGCQE-MRTMQBJTSA-N 217.150 3.596 50 40 BHGB CCN(CCCl)Cc1ccc(C(C)C)cc1 1718323 KLXJACXCZDWUEK-UHFFFAOYSA-N 239.790 3.871 50 40 BHGB O=C/C=C/c1ccc(-c2ccccc2)cc1 14983460 DEGNTTFHGNUFKP-SNAWJCMRSA-N 208.260 3.566 50 40 BHGB CSc1ccc(CCl)cc1Cl 91301407 CDAAPXAACBSAHC-UHFFFAOYSA-N 207.125 3.801 50 40 BHGB C[Si](C)(C)OC(=C(F)F)C(F)(F)F 169806727 ALPKDMICBDVEQZ-UHFFFAOYSA-N 220.213 3.508 50 40 BHGB C[C@]12CC3CC(N=C=S)(C1)C[C@](C)(C3)C2 100017974 GXBQJLFQKPPSHC-QZQSVVMZSA-N 221.369 3.838 50 40 BHGB CC(C)(C)OOC(=O)C1CCCCCCC1 100477485 NIBJOGQGLDDLQC-UHFFFAOYSA-N 228.332 3.620 50 40 BHGB C[P@](=O)(Cl)Cc1ccccc1Cl 110167449 CYCCKNZPVOWVII-GFCCVEGCSA-N 223.039 3.987 50 40 BHGB C[Si](C)(C)Oc1ccc(Cl)cc1 195781245 CJDREQROIGYMMO-UHFFFAOYSA-N 200.741 3.554 50 40 BHGB C[C@@H](CBr)Cc1ccc(Cl)cc1 82770313 KMVIYDGPTWHFEN-MRVPVSSYSA-N 247.563 3.914 50 40 BHGB C[C@H](Cl)C(=O)c1ccc(C(C)(C)C)cc1 3337429 RXZLQSCORMCHDF-VIFPVBQESA-N 224.731 3.794 50 40 BHGB in-vitro N#C/C(=C/c1cccs1)c1ccccc1F 108984558 YTIYXXZJWQMLMK-NTMALXAHSA-N 229.279 3.951 50 40 BHGB CC(C)c1ccccc1O[C@H](C)CCl 41226686 PAOHIUOFNJSRIG-SNVBAGLBSA-N 212.720 3.816 50 40 BHGB N#C/C(=C\c1ccc(C#N)cc1)c1cccc(F)c1 1062477 XEOLMSRWMGDKCE-OVCLIPMQSA-N 248.260 3.762 50 40 BHGB CCCCCCCCCC[C@H]1CC(=O)OC1=O 95876211 YOWKKGPNCDIFFB-LBPRGKRZSA-N 240.343 3.607 50 40 BHGB in-vitro Cc1ccc(C(=O)/C=C(\S)SS)cc1 104129646 ZCFMKKRHASLMSK-UXBLZVDNSA-N 242.390 3.527 50 40 BHGB O=C(CCCCCCl)c1ccc(F)c(F)c1 43212740 ZXQNSNXGWUUBRL-UHFFFAOYSA-N 246.684 3.947 50 40 BHGB CC(C)(C)C12CC(CBr)(C1)C2 135845409 YQJBCEWDKVVSBK-UHFFFAOYSA-N 217.150 3.598 50 40 BHGB CC(C)c1ccccc1C(=O)[C@H](C)Cl 307250130 LBEVGJWZGOWINR-VIFPVBQESA-N 210.704 3.620 50 40 BHGB N#C/C(=C\c1ccc(C#N)cc1)c1ccccc1 1624983 LMSMJIGIXAYRRL-MHWRWJLKSA-N 230.270 3.622 50 40 BHGB Cc1ccc([C@H](Cl)C(F)(F)F)cc1 58139028 SOBQAWIVIICAHC-QMMMGPOBSA-N 208.610 3.837 50 40 BHGB Cc1cc(OCc2ccccc2)ncc1CCl 72223413 KKZZRMCRFWWHPB-UHFFFAOYSA-N 247.725 3.708 50 40 BHGB C[C@@H](Cl)C(=O)c1cccc(C(F)(F)F)c1 232758910 AMIFRRUXUDAWNS-ZCFIWIBFSA-N 236.620 3.515 50 40 BHGB Cc1ccc(C#CCCCCl)cc1F 95633728 QMUURXWNQOQANA-UHFFFAOYSA-N 210.679 3.505 50 40 BHGB CC[Si](CC)(CC)OCCC(F)(F)F 627281304 IQBZISSINUNOSX-UHFFFAOYSA-N 228.330 3.961 50 40 BHGB CC[C@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933468 CVJLWLAYZAIORM-KVPKETBZSA-N 249.996 3.990 50 40 BHGB ClCc1nc2ccc(Cl)cc2s1 34482203 BSLYCZZEUDPRAN-UHFFFAOYSA-N 218.108 3.689 50 40 BHGB CC[C@@H](C)P(c1ccccc1)c1ccccc1 59717159 QWINMNANNHVXIR-CQSZACIVSA-N 242.302 3.918 50 40 BHGB Fc1cccc(C(F)(F)F)c1CCCl 199553152 RLQIHENRANNUHF-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1C 32186351 ATYLLXPFEVHBGV-MHWRWJLKSA-N 236.318 3.706 50 40 BHGB CCOc1c(Cl)cc(/C=C/C#N)cc1Cl 6350814 BEKRIBRPCUZLCM-ONEGZZNKSA-N 242.105 3.929 50 40 BHGB CCCCCCC[C@]1(C)OC[C@@H](CCl)O1 1689254 UXXUXZDOUDKIMN-VXGBXAGGSA-N 234.767 3.717 50 40 BHGB N#CC(C#N)=Cc1sc2ccccc2c1Cl 2325723 UQRFXIBTVHDMCO-UHFFFAOYSA-N 244.706 3.985 50 40 BHGB Cl[C@H](c1ccccc1)c1nc2ccccc2[nH]1 8627282 MUXQJFBWQLAXGK-CYBMUJFWSA-N 242.709 3.891 50 40 BHGB CC[C@H](Cl)C(=O)c1cc(C)ccc1Cl 306516750 YYERIPXCJYZGIA-VIFPVBQESA-N 231.122 3.849 50 40 BHGB CC[C@@H](Cl)C(=O)c1cccc(C)c1Cl 306814595 CTKGNTGJTCPIRZ-SECBINFHSA-N 231.122 3.849 50 40 BHGB COc1ccc(C(=O)CCCCl)c(Cl)c1 71463751 UDCIYKUYJHMIKI-UHFFFAOYSA-N 247.121 3.550 50 40 BHGB O=C(c1cccs1)[C@@H](Cl)c1ccccc1 88111880 OPRVGSVKTUBAQM-NSHDSACASA-N 236.723 3.911 50 40 BHGB Clc1ccc([C@@H]2C[C@H]2Br)cc1 242390215 AFGDANXTHKZERM-DTWKUNHWSA-N 231.520 3.591 50 40 BHGB ClCc1ccc2cccc(Cl)c2n1 140184119 QXXFDDARUQMAAD-UHFFFAOYSA-N 212.079 3.627 50 40 BHGB O=C(Cl)c1cc(-c2ccccc2)cs1 2513583 CHDUAUNLUOBGIH-UHFFFAOYSA-N 222.696 3.794 50 40 BHGB CCCCOP(=O)(Cl)OCCCC 72399686 ZJEHRMYJNACSLL-UHFFFAOYSA-N 228.656 3.967 50 40 BHGB in-vitro CC(C)CSC(=O)N[C@@H]1CCCC[C@@H]1Cl 5380663 LJFRXILYSVPLSK-VHSXEESVSA-N 249.807 3.635 50 40 BHGB Cc1sc(-c2ccccc2)nc1CCl 39291637 CTUDUOQFFJZATC-UHFFFAOYSA-N 223.728 3.857 50 40 BHGB N#C[C@H](Cl)c1c(Cl)cccc1Cl 45626740 VGVVEYROUDZXID-ZETCQYMHSA-N 220.486 3.797 50 40 BHGB CC[C@@H](CBr)c1ccccc1 49780948 DEESSKCTGAJPNA-VIFPVBQESA-N 213.118 3.575 50 40 BHGB CCOc1ccc(C(C)(C)CCl)cc1 1448441 CUYNTLDCNGKIFN-UHFFFAOYSA-N 212.720 3.602 50 40 BHGB FC(F)(F)C1=NC=C(c2ccccc2)[C@H]1Cl 64219775 XRNPSSRBSYKROI-SECBINFHSA-N 245.631 3.652 50 40 BHGB C[Si](C)(C)O[Si](C)(C)CCCCl 196665766 GSSWFBLVISCYBP-UHFFFAOYSA-N 224.880 3.672 50 40 BHGB CC[C@H](C)[C@@H](C(=O)Cl)c1ccccc1 20248519 MOUBRISNOTZUNT-GXSJLCMTSA-N 210.704 3.582 50 40 BHGB Cc1cccc(C#CCCCCl)c1C 95632054 LMPPOSLYAPBGSQ-UHFFFAOYSA-N 206.716 3.674 50 40 BHGB Cc1cc2c(cc1C)C(CCl)=NC(C)(C)C2 41107677 WUNTVQALZSJMQM-UHFFFAOYSA-N 235.758 3.666 50 40 BHGB ClCC#Cc1cc(Cl)cc(Cl)c1 95632919 QGTDQQUCZXZVEM-UHFFFAOYSA-N 219.498 3.584 50 40 BHGB N#C/C(=C\[C@@H]1CC=CCC1)c1nc2ccccc2[nH]1 122082 QKMTWUWWDIDYLL-GMCKNXKJSA-N 249.317 3.826 50 40 BHGB ClCc1ccccc1Oc1cccnc1 34962987 ZIPMORDWBGJENS-UHFFFAOYSA-N 219.671 3.613 50 40 BHGB in-vitro CC[C@H](Cl)C(=O)c1cccc(C)c1Cl 306814597 CTKGNTGJTCPIRZ-VIFPVBQESA-N 231.122 3.849 50 40 BHGB Cl[C@@H]1CC1(c1ccccc1)c1ccccc1 138171663 BEPOOZQFDKDTIK-CQSZACIVSA-N 228.722 3.984 50 40 BHGB O=C(Cl)c1cc(Cl)c(F)c(Cl)c1F 34090723 ASQQXYQZMYOGIL-UHFFFAOYSA-N 245.439 3.651 50 40 BHGB C=C(CBr)c1ccc(Cl)cc1 95829944 WLHYINHUIIECRI-UHFFFAOYSA-N 231.520 3.748 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)cc1F 307700192 PYGKXXLDRXMZHQ-QMMMGPOBSA-N 235.085 3.679 50 40 BHGB C[C@@H]1C=C(C#N)O[C@@H](c2ccc(Cl)cc2)C1 4267789 QLHBXMYHHVDVOV-NOZJJQNGSA-N 233.698 3.845 50 40 BHGB biogenic C[C@@H](Cl)C(=O)c1ccc(C(F)(F)F)cc1 34071935 ZVSVQCHLYIWCDE-ZCFIWIBFSA-N 236.620 3.515 50 40 BHGB CC1CCC(CCBr)CC1 1562009 IPSACNFGNBSRTQ-UHFFFAOYSA-N 205.139 3.598 50 40 BHGB O=C(CCl)c1ccc2c(c1)[nH]c1ccccc12 1710635 SOUHCEGXVJNVJN-UHFFFAOYSA-N 243.693 3.743 50 40 BHGB N#C/C(=C/c1ccc(C#N)cc1)c1ccccc1 8653274 LMSMJIGIXAYRRL-YBEGLDIGSA-N 230.270 3.622 50 40 BHGB O=C(CCCCl)c1cccc(F)c1Cl 308451601 GCOPBOULUGANGL-UHFFFAOYSA-N 235.085 3.681 50 40 BHGB O=C(c1cccc(F)c1)[C@H](Cl)c1ccccc1 127002357 NYGIZHORVANKJW-CYBMUJFWSA-N 248.684 3.989 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(C)c(Cl)c1 307253763 WCOKPKXFSQXWEJ-VIFPVBQESA-N 231.122 3.849 50 40 BHGB Cc1c(C)n(C(=O)[C@H](C)Cl)c2ccccc12 506672 JUALFISVFJJIRZ-VIFPVBQESA-N 235.714 3.526 50 40 BHGB Cc1cc(CCl)cnc1OCc1ccccc1 72222374 QKFWYPNKGLFMPB-UHFFFAOYSA-N 247.725 3.708 50 40 BHGB O=C/C=C/c1ccc(-c2ccc(Cl)cc2)o1 8729321 AVYJFYQOHVMSQV-OWOJBTEDSA-N 232.666 3.812 50 40 BHGB C[C@H](Br)c1ccccc1Cl 57214463 QYKKDCRHMDKWFK-LURJTMIESA-N 219.509 3.796 50 40 BHGB in-vitro CCc1ccc2ncc(CCl)cc2c1 72226740 DSCADXDBDFPJBG-UHFFFAOYSA-N 205.688 3.536 50 40 BHGB CC(C)Cc1ccc(C(=O)[C@H](C)Cl)cc1 157877 GIHSMBINQBEFLD-JTQLQIEISA-N 224.731 3.695 50 40 BHGB Cc1ccc(C(=O)CCCCCl)c(C)c1 382707897 VGHAWYGDBJCFSF-UHFFFAOYSA-N 224.731 3.895 50 40 BHGB CCCCCCCCCNC(=O)CCCCl 97941750 HCIWHOKNCXNNRG-UHFFFAOYSA-N 247.810 3.872 50 40 BHGB CCCCCCCCCOC(=O)CCl 1584027 OKWGMWNSHCOYJE-UHFFFAOYSA-N 220.740 3.519 50 40 BHGB N#C/C(=C/c1ccoc1)c1nc(C2CC2)cs1 4070471 YUJSGHDRXFSYCX-WZUFQYTHSA-N 242.303 3.678 50 40 BHGB Cc1cc(N(C)c2ccccc2)ncc1CCl 72223332 KIHVJNICHGWEIX-UHFFFAOYSA-N 246.741 3.897 50 40 BHGB C[C@H]1C=C(C#N)O[C@@H](c2ccc(Cl)cc2)C1 4267788 QLHBXMYHHVDVOV-TVQRCGJNSA-N 233.698 3.845 50 40 BHGB biogenic O=C(c1cccs1)[C@H](Cl)c1ccccc1 88111882 OPRVGSVKTUBAQM-LLVKDONJSA-N 236.723 3.911 50 40 BHGB Cc1cc(C(=O)[C@H](C)Cl)cc(C)c1Cl 307234273 FGLFEJDFIWTYPJ-QMMMGPOBSA-N 231.122 3.767 50 40 BHGB Cc1cc(C(=O)CCl)c(C)n1CCC(C)C 3349437 FOXZLSRZTFTEDB-UHFFFAOYSA-N 241.762 3.573 50 40 BHGB N#CS[C@@H](CCl)Cc1cccc(Cl)c1 3166143 NBXYISOPBIJEEK-SNVBAGLBSA-N 246.162 3.704 50 40 BHGB N#CC1=C(/N=C/c2c[nH]c3ccccc23)CCC1 5685488 UYFAHLBCILCSMP-RQZCQDPDSA-N 235.290 3.548 50 40 BHGB CC[C@H](Cl)C(=O)c1cccc(F)c1Cl 306417992 SQJXLJABYPXQGB-ZETCQYMHSA-N 235.085 3.679 50 40 BHGB C[C@@H](Cl)C(=O)c1cccc(C(C)(C)C)c1 238427211 RSDTYGOGUKUSFW-SECBINFHSA-N 224.731 3.794 50 40 BHGB C[C@H](Br)c1cccc(Cl)c1 57214474 GYMHOIORCMJXQL-LURJTMIESA-N 219.509 3.796 50 40 BHGB in-vitro O=C(Cl)c1cccc(C(Cl)Cl)c1 2545400 RXYDVDHUAVNAND-UHFFFAOYSA-N 223.486 3.542 50 40 BHGB in-vitro F[C@@H](CBr)c1ccc(Cl)cc1 95470364 KXGWHKALOAXJPV-QMMMGPOBSA-N 237.499 3.746 50 40 BHGB Clc1ccccc1[C@H]1C[C@@H]1Br 242701953 WUSSOOHSHMKNIH-SFYZADRCSA-N 231.520 3.591 50 40 BHGB N#C/C(=C\c1ccoc1)c1nc(C2CC2)cs1 4599904 YUJSGHDRXFSYCX-VZUCSPMQSA-N 242.303 3.678 50 40 BHGB FC(F)(F)c1cc(OCCl)ccc1Cl 2362803848 SYNXYUZDICFHHA-UHFFFAOYSA-N 245.027 3.934 50 40 BHGB ClSC(Cl)(Cl)C(Cl)Cl 104365392 LCVOCDOSGJHZFH-UHFFFAOYSA-N 234.362 3.809 50 40 BHGB CC(C)(C)C/C=C/CSCCCl 1690635 LQOJKVIDHZTLHI-SNAWJCMRSA-N 206.782 3.951 50 40 BHGB N#CS[C@H](CCl)Cc1cccc(Cl)c1 3166142 NBXYISOPBIJEEK-JTQLQIEISA-N 246.162 3.704 50 40 BHGB O=C(Cl)CCc1cccc2ccccc12 34294501 YVZVRDDPHGQMQD-UHFFFAOYSA-N 218.683 3.538 50 40 BHGB C[C@]12CC3CC(C(=O)Cl)(C1)C[C@](C)(C3)C2 100149895 RZEJREVONLVTCU-CDOIKYBLSA-N 226.747 3.748 50 40 BHGB ClCC[C@H](c1ccccc1)N1CCCCC1 1698273 DTNZEFUNBWIRIP-CQSZACIVSA-N 237.774 3.843 50 40 BHGB Clc1ccccc1[C@@H]1C[C@H]1Br 242701952 WUSSOOHSHMKNIH-JGVFFNPUSA-N 231.520 3.591 50 40 BHGB CCCCOc1ccc(C)cc1C(=O)Cl 95739837 NESGZTLEKKGDIW-UHFFFAOYSA-N 226.703 3.553 50 40 BHGB CC(C)=C(C#N)c1nc2ccccc2s1 876435 LFRAFAQWIPZCRG-UHFFFAOYSA-N 214.293 3.613 50 40 BHGB CC(=O)c1sc2ccccc2c1SC#N 338751 AWOTZKSZUJJZEL-UHFFFAOYSA-N 233.317 3.677 50 40 BHGB CCN1/C(=C\C=C(/C)C=O)Sc2ccccc21 33303365 BPQZBICCGZSSDU-GBMJPCLJSA-N 245.347 3.605 50 40 BHGB Cc1cc(C(=O)Cl)c(-c2ccccc2)o1 12370401 PMRQXXGRXBJTAJ-UHFFFAOYSA-N 220.655 3.634 50 40 BHGB COc1ccc2cc(C(=O)[C@@H](C)Cl)ccc2c1 34128622 SBNAWXAVNWGSHY-SECBINFHSA-N 248.709 3.658 50 40 BHGB C[C@@H](CBr)Oc1ccc(Cl)cc1 34536424 XFQSINJZWKYWKG-ZETCQYMHSA-N 249.535 3.502 50 40 BHGB ClCCCC#Cc1ccc(Cl)cc1 95631834 PDSYXAIMIPWZPV-UHFFFAOYSA-N 213.107 3.711 50 40 BHGB N#C/C(=C/c1ccccc1)c1ccccc1F 1597784 ANBDHGGYZFCPBU-RAXLEYEMSA-N 223.250 3.890 50 40 BHGB CCCCOc1ccc(C(=O)Cl)cc1C 95739792 ZBSRDKKEUZBSPX-UHFFFAOYSA-N 226.703 3.553 50 40 BHGB N#CSc1ccc(Cl)c(C(F)(F)F)c1 390822369 OFXVFMWIJOURLV-UHFFFAOYSA-N 237.633 3.932 50 40 BHGB C[C@H](Br)c1ccc(F)c(Cl)c1 57214478 PFTSLXBGPLIJBB-YFKPBYRVSA-N 237.499 3.935 50 40 BHGB in-vitro Cc1nc(-c2ccccc2)sc1CCl 39205424 SKHCQYBEAZCSCN-UHFFFAOYSA-N 223.728 3.857 50 40 BHGB in-vitro CC1=C(C=O)C[C@@H]2[C@@H](CCCC2(C)C)C1 2126442 YXDYSEASWHVHDK-WCQYABFASA-N 206.329 3.738 50 40 BHGB biogenic COc1ccc(C(=O)CCCCCl)c(C)c1 382677280 XLJDCWVKQAQNOU-UHFFFAOYSA-N 240.730 3.595 50 40 BHGB COc1ccc(/C(C#N)=C\c2ccccc2)cc1 4582621 ZXIOBZCSWVNQCE-PTNGSMBKSA-N 235.286 3.759 50 40 BHGB O=C(Cc1ccccc1)[C@H](Cl)c1ccccc1 1704440 UJUGDQSBAIDNOK-OAHLLOKOSA-N 244.721 3.778 50 40 BHGB CCCCOc1cc(F)c(C(=O)Cl)c(F)c1 91251999 LCYFGUHGFICGBL-UHFFFAOYSA-N 248.656 3.523 50 40 BHGB CC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1 169963021 FQYWTODLVZFTLW-UHFFFAOYSA-N 238.403 3.563 50 40 BHGB O=C(NN=C1CCCCCCC1)c1ccccc1 6251992 WBRMAXNDGNCMIU-UHFFFAOYSA-N 244.338 3.517 50 40 BHGB Cc1csc(/C(C#N)=C\c2cccs2)n1 6925367 GSUZSPOXUGSNFV-UITAMQMPSA-N 232.333 3.577 50 40 BHGB CCO[C@@H](O[Si](CC)(CC)CC)C(F)F 627281314 PGEKSJDXBBTTTN-JTQLQIEISA-N 240.366 3.636 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(F)cc1Cl 307196245 SWAUSILFVIGUBK-QMMMGPOBSA-N 235.085 3.679 50 40 BHGB C[C@@H](Cl)c1nc2c(Cl)cccc2[nH]1 37444458 LAHOFKUQAVHSGX-RXMQYKEDSA-N 215.083 3.516 50 40 BHGB CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1 33336989 ZDXXNHLQXKSQQN-FLIBITNWSA-N 247.725 3.862 50 40 BHGB Cc1ccc(C)c(C#CCCCCl)c1 95633586 QNRAVLYNKFPXQU-UHFFFAOYSA-N 206.716 3.674 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(C)cc1Cl 307638363 ZVPKLFKDMBFZHW-SECBINFHSA-N 231.122 3.849 50 40 BHGB CCc1cc(CC)c(C=C(C#N)C#N)c(CC)c1 42432 LQEJIKZRFDSBDA-UHFFFAOYSA-N 238.334 3.804 50 40 BHGB C=C(Br)CCCCCCl 2567406 KNMGSYMNJLSGPQ-UHFFFAOYSA-N 211.530 3.694 50 40 BHGB Fc1ccc2cc(CBr)sc2c1 88023854 SXVVVXPTLBDNOH-UHFFFAOYSA-N 245.116 3.935 50 40 BHGB COc1ccc(F)c(CCCCl)c1Cl 199754009 URJGTBKNAJVAEP-UHFFFAOYSA-N 237.101 3.659 50 40 BHGB Cc1ccc(C(=O)CCCCl)c(C)c1 1635544 JVJAFFIEOZLZBJ-UHFFFAOYSA-N 210.704 3.505 50 40 BHGB CC[C@H](C)[C@H](C(=O)Cl)c1ccccc1 20248525 MOUBRISNOTZUNT-ONGXEEELSA-N 210.704 3.582 50 40 BHGB Cc1cc(C)c(NC(=O)[C@@H](C)Cl)c(Cl)c1 32626861 SFHOWCDKGLMGIU-MRVPVSSYSA-N 246.137 3.523 50 40 BHGB in-vitro C[C@H](CBr)Oc1ccccc1Cl 41305030 FOABWHGZPRANBI-SSDOTTSWSA-N 249.535 3.502 50 40 BHGB ClCc1ccc(Cl)cc1Br 89064411 SNPYGOQMBFNDLS-UHFFFAOYSA-N 239.927 3.841 50 40 BHGB ClC[C@@H](Cl)[C@@H]1CC[C@@H](Cl)[C@@H](Cl)C1 104320854 QAZYDQVLTRKNST-OOJXKGFFSA-N 249.996 3.848 50 40 BHGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccco3)nc2c1 4539431 YVIYLGQSCHPHFT-DHZHZOJOSA-N 249.273 3.529 50 40 BHGB ClCCc1c(Cl)cccc1Cl 82955052 VXFHBHKYFGRDLX-UHFFFAOYSA-N 209.503 3.775 50 40 BHGB in-vitro BrCC12CC(c3ccccc3)(C1)C2 1772820952 JINREUZITZPAHR-UHFFFAOYSA-N 237.140 3.503 50 40 BHGB ClCc1nc(Cl)cc(C2CCCCC2)n1 72209931 KIOJQSIAPOXDRO-UHFFFAOYSA-N 245.153 3.917 50 40 BHGB CCCCC[C@@H](CCC)COC(=O)CCl 5550981 HXMAOVDYXGHBPL-LLVKDONJSA-N 234.767 3.765 50 40 BHGB Cc1ccc(C(=O)CCCCl)cc1Cl 231984075 MLXNYGVWIMANGF-UHFFFAOYSA-N 231.122 3.850 50 40 BHGB Clc1nc(C(Cl)Cl)nc2ccccc12 1590454 JQUNRRGGAAWYDJ-UHFFFAOYSA-N 247.512 3.759 50 40 BHGB ClCCc1ccc(Cl)c(Cl)c1 60711153 JZFLAOSRCFRGHF-UHFFFAOYSA-N 209.503 3.775 50 40 BHGB Cc1cc(C)cc(C#CCCCCl)c1 95633072 UMIPVELCQDIXAI-UHFFFAOYSA-N 206.716 3.674 50 40 BHGB ClCCOCc1ccc(Cl)cc1Cl 1712817 HOGDXRNLNXPJJN-UHFFFAOYSA-N 239.529 3.749 50 40 BHGB ClCc1nc(Cl)cc(-c2ccccc2)n1 62701298 DVJTVUYPXMLRAG-UHFFFAOYSA-N 239.105 3.536 50 40 BHGB CCc1cccc(C(=O)C(C)(C)CCl)c1 382736186 WZOZQDQIDMMXOI-UHFFFAOYSA-N 224.731 3.697 50 40 BHGB O=c1cc(CCl)c2ccc3ccccc3c2o1 540141 ZKKZXZILYDCFSC-UHFFFAOYSA-N 244.677 3.685 50 40 BHGB biogenic Cc1ccc(C(=O)[C@H](C)Cl)c2ccccc12 36182981 JWBFPKXVLFOGDN-JTQLQIEISA-N 232.710 3.958 50 40 BHGB O=C(Cl)c1ccccc1-c1ccccc1 39247165 MPJOJCZVGBOVOV-UHFFFAOYSA-N 216.667 3.733 50 40 BHGB in-vitro ClCCCc1cccc(Br)c1 49651078 CYHRONPSDOWYGF-UHFFFAOYSA-N 233.536 3.621 50 40 BHGB CCCCCCCCCC(=O)NN=C(C)C 97941740 DCJVSQUORXSNRT-UHFFFAOYSA-N 226.364 3.639 50 40 BHGB Cc1ccc(/C(C#N)=C/c2ccccc2O)cc1 408579328 FTIJVZYSBDTLQC-XNTDXEJSSA-N 235.286 3.765 50 40 BHGB Cc1ccc(/C=C(/C#N)c2ccccc2)o1 409359751 BVDUIOINUAKHGZ-LCYFTJDESA-N 209.248 3.652 50 40 BHGB N#C/C(=C/c1cccs1)c1cccs1 1610281 OXJZQVOOGYHIQG-CLFYSBASSA-N 217.318 3.874 50 40 BHGB Cc1c(Cl)cc(C(=O)Cl)cc1Cl 26508384 UNONPWRUIRVAIG-UHFFFAOYSA-N 223.486 3.681 50 40 BHGB C[C@@H](Cl)C(=O)c1cc(Cl)ccc1Cl 36179867 JDTDCUUREQULBB-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB Cc1ccc(C)c(/C=C(\C#N)c2ccccn2)c1 5128557 ZGHILYPJFBXXNV-XNTDXEJSSA-N 234.302 3.763 50 40 BHGB BrCc1ccc2sccc2c1 38313410 FOQVMHRXEHFCNW-UHFFFAOYSA-N 227.126 3.796 50 40 BHGB CC[C@@H](Cl)C(=O)c1cc(C)ccc1Cl 306516749 YYERIPXCJYZGIA-SECBINFHSA-N 231.122 3.849 50 40 BHGB Cc1ccsc1C(=O)C(C)(C)CCl 307073612 ACKMCWPTGSVBON-UHFFFAOYSA-N 216.733 3.504 50 40 BHGB Cc1ccc(F)cc1C(=O)C(C)(C)CCl 394752003 NMUQTIWRMYBURG-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB Cc1ccc(C(=O)CCCCl)cc1C 1635546 UMVFZGUNLWQTHV-UHFFFAOYSA-N 210.704 3.505 50 40 BHGB C[C@H](Cl)C(=O)c1ccc2ccccc2c1 39055801 AJLOJLVEADHPJX-VIFPVBQESA-N 218.683 3.650 50 40 BHGB Cc1c(CCl)c(C)c2c(c1CCl)CC2 68568845 VOQZCIGSIKSGAL-UHFFFAOYSA-N 229.150 3.880 50 40 BHGB CC1(C)[C@H](CCCl)C[C@@H]1CCCl 1713089 INKQNBVJEYIODC-DTORHVGOSA-N 209.160 3.907 50 40 BHGB C[C@@]1(Cl)C[C@@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933466 PQUFNWZWIZOKHV-MVIOUDGNSA-N 235.969 3.600 50 40 BHGB CC1(C)C(=O)C=C[C@@H]1O[Si](C)(C)C(C)(C)C 195848779 SQNXIGVELAFLKX-NSHDSACASA-N 240.419 3.542 50 40 BHGB Cc1nc(Oc2ccccc2)ccc1CCl 72224188 NYFMAICOLONFMF-UHFFFAOYSA-N 233.698 3.921 50 40 BHGB F[C@H](CBr)c1ccc(Cl)cc1 95470363 KXGWHKALOAXJPV-MRVPVSSYSA-N 237.499 3.746 50 40 BHGB C/C(=C/C(=O)O[Si](C)(C)C)C[Si](C)(C)C 195751501 QCGGJRHSTCBUNL-NTMALXAHSA-N 244.483 3.649 50 40 BHGB ClP(Cl)OCc1ccccc1 77272972 GKXNKXXJQUBZGJ-UHFFFAOYSA-N 209.012 3.908 50 40 BHGB in-vitro CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Cl)cc1 3887324 RQCJASQDAKJYLO-VHSXEESVSA-N 239.746 3.766 50 40 BHGB Cc1ccc(N(CCCl)CCCl)cc1C 1568889 OZOUCVPMAZQVOX-UHFFFAOYSA-N 246.181 3.587 50 40 BHGB CCC[C@H]1CCCC[C@@H]1Br 1717276 KAPCYUWEWWUIKN-IUCAKERBSA-N 205.139 3.740 50 40 BHGB Cc1ccc(C23CC(CCl)(C2)C3)cc1 1772798580 RARAMTOQJQNGPD-UHFFFAOYSA-N 206.716 3.656 50 40 BHGB O=C(c1ccccc1F)[C@H](Cl)c1ccccc1 39269368 WKUSMIXNFMNCEJ-CYBMUJFWSA-N 248.684 3.989 50 40 BHGB CCCC[C@H](I)CCC 2389902 RZONQKSTULVBKR-MRVPVSSYSA-N 240.128 3.780 50 40 BHGB O[C@@H](C1CCCCC1)[C@H]1CCCC[C@@H]1Cl 5566752 VYYCBGHMCNFOGW-AVGNSLFASA-N 230.779 3.725 50 40 BHGB Cc1cc(CBr)ccc1Cl 88190273 REUUQOIBNWISSI-UHFFFAOYSA-N 219.509 3.543 50 40 BHGB in-vitro Cc1nc(-c2ccccc2)cc(C(=O)Cl)c1C 685937544 QVTHPXPNGSPRHQ-UHFFFAOYSA-N 245.709 3.744 50 40 BHGB Fc1cc(C(F)(F)F)ccc1CCCl 139626631 DUYCZQWLZPXIOK-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB CSC(SC)=C(C#N)c1cccs1 162582 HLUSUYACZQDKCW-UHFFFAOYSA-N 227.379 3.666 50 40 BHGB Cc1cc(SC#N)cc(C)c1Br 45889819 GWFVBCOMXQPVCE-UHFFFAOYSA-N 242.141 3.639 50 40 BHGB CC(C)(C)c1ccc(-c2nc(CCl)n[nH]2)cc1 85385521 QBIKMQNAEYYENR-UHFFFAOYSA-N 249.745 3.508 50 40 BHGB O=C(Cl)C1(c2ccc(Cl)cc2)CCC1 11884078 DZXGBZNKQQMGSE-UHFFFAOYSA-N 229.106 3.527 50 40 BHGB N#C/C(=C\c1cccnc1)c1ccccc1Cl 12495656 JLBKEPZSHKWCPH-XYOKQWHBSA-N 240.693 3.799 50 40 BHGB CC(C)(C)C/C=C\CSCCCl 17322746 LQOJKVIDHZTLHI-PLNGDYQASA-N 206.782 3.951 50 40 BHGB CCCCCOc1cc(C(=O)Cl)ccc1F 95739800 PMXNLGQYRDQBHG-UHFFFAOYSA-N 244.693 3.774 50 40 BHGB BrC[C@@H]1Cc2cccc3cccc1c23 96509962 PYIHWZMKXKRUBB-NSHDSACASA-N 247.135 3.874 50 40 BHGB C[C@H](Cl)CS(F)(F)(F)(F)F 142823052 DXYKHIOOSVCFJJ-VKHMYHEASA-N 204.591 3.912 50 40 BHGB Fc1ccccc1-c1nc(CCl)cs1 19787916 WJTKLJHGGGNKNE-UHFFFAOYSA-N 227.691 3.688 50 40 BHGB in-vitro C[C@H](CCBr)CC(C)(C)C 2579105 JUHBYLSCAJAHEH-MRVPVSSYSA-N 207.155 3.844 50 40 BHGB ClCc1coc(-c2ccc(Cl)cc2)n1 4218872 BGGPUCCJQGIJRL-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB in-vitro CCCCCCCCC[C@H](O)CCl 144294512 DYEWCEKUOOYFBB-NSHDSACASA-N 206.757 3.727 50 40 BHGB C[C@@H](Cl)c1nc(Cl)cc(C(C)(C)C)n1 72207449 FNWLJDVKCCSYSE-ZCFIWIBFSA-N 233.142 3.727 50 40 BHGB Fc1cc(C#CCCCCl)ccc1Cl 95633401 HNPSKNIOUYOUHT-UHFFFAOYSA-N 231.097 3.850 50 40 BHGB CC(C)CCOc1cc(F)cc(C(=O)Cl)c1 95739806 ODOLLMZAVDWFEG-UHFFFAOYSA-N 244.693 3.630 50 40 BHGB CCCCC/C(C)=C/CBr 1567126 FABPEHHINRPZGV-VQHVLOKHSA-N 205.139 3.908 50 40 BHGB ClCc1ncc(-c2ccccc2)s1 45206021 JEJHXSCVDJNWCE-UHFFFAOYSA-N 209.701 3.549 50 40 BHGB in-vitro CCCCOc1ccc(CBr)cc1 36894652 BDFZQEDEJPQJNB-UHFFFAOYSA-N 243.144 3.760 50 40 BHGB C[C@@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 36179902 XLSUKENQJDZSCX-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB Fc1ccc(CBr)c(Cl)c1F 261506876 BXAGQIRDTHLVIN-UHFFFAOYSA-N 241.462 3.513 50 40 BHGB Cc1cc(F)cc(C(=O)C(C)(C)CCl)c1 382709238 WKZKASGBOPDTSG-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB CC(C)(C)OOC(C)(C)c1ccccc1 2582044 BIISIZOQPWZPPS-UHFFFAOYSA-N 208.301 3.668 50 40 BHGB Cc1cccc(Cl)c1CBr 146087239 FOEPRWVTHBDGAQ-UHFFFAOYSA-N 219.509 3.543 50 40 BHGB in-vitro CC(C)(CCl)C(=O)c1cccc(Cl)c1 307648339 GHSZPYUGRDBEBF-UHFFFAOYSA-N 231.122 3.788 50 40 BHGB Cc1ccc2sc(C(=O)Cl)cc2c1 2536636 RSDZRBLRCRNYRU-UHFFFAOYSA-N 210.685 3.589 50 40 BHGB CSc1cccc(C(=O)CCCCl)c1 382677029 WOIQDPPHGHODJD-UHFFFAOYSA-N 228.744 3.610 50 40 BHGB Cc1ccccc1OCCCCBr 2388625 CHHNKCNFDJFXSP-UHFFFAOYSA-N 243.144 3.549 50 40 BHGB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Cl)cc1 3887326 RQCJASQDAKJYLO-UWVGGRQHSA-N 239.746 3.766 50 40 BHGB CC(C)Sc1cccc(C(=O)Cl)c1 38478176 PVFGAHDHQNCWHZ-UHFFFAOYSA-N 214.717 3.566 50 40 BHGB ClCCn1cnc2cc(Cl)c(Cl)cc21 1670974 CGTOEIPIZWVGOS-UHFFFAOYSA-N 249.528 3.582 50 40 BHGB COc1ccc(C(=O)CCCCCl)cc1C 382674856 LZXATKMOIQGDGZ-UHFFFAOYSA-N 240.730 3.595 50 40 BHGB COc1cccc2cc(CCl)c(Cl)nc12 11985098 KQPAKPIBCKMDPO-UHFFFAOYSA-N 242.105 3.636 50 40 BHGB CC[C@@H](Oc1ccccc1C(C)C)C(=O)Cl 36720660 UBXMIDRUCBJLOD-LLVKDONJSA-N 240.730 3.733 50 40 BHGB C[C@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933460 PQUFNWZWIZOKHV-BWBBJGPYSA-N 235.969 3.600 50 40 BHGB ClCc1nc2cc(Cl)cc(Cl)c2o1 34247210 HPIYIWDZQKHAHF-UHFFFAOYSA-N 236.485 3.873 50 40 BHGB BrC/C=C/C1CCCCC1 59291208 OQDAFSPCBVBKNR-QPJJXVBHSA-N 203.123 3.518 50 40 BHGB in-vitro Cc1c(Cl)cccc1NC(=O)CCCCl 1672732 YTFOKDALOHUPSO-UHFFFAOYSA-N 246.137 3.606 50 40 BHGB Clc1cccc([C@@H]2C[C@H]2Br)c1 242522205 ILZJZXJSCHIBEI-DTWKUNHWSA-N 231.520 3.591 50 40 BHGB Cc1c(F)cccc1C(=O)C(C)(C)CCl 382706915 UIZLDGLWICDCSW-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB CCCCC[C@H](CCC)COC(=O)CCl 1656182 HXMAOVDYXGHBPL-NSHDSACASA-N 234.767 3.765 50 40 BHGB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Cl)cc1 3887323 RQCJASQDAKJYLO-NXEZZACHSA-N 239.746 3.766 50 40 BHGB CC(C)C(=O)/C(C#N)=C\c1ccc2ccccc2c1 44027254 YCHQIAZJSQUZCO-YBEGLDIGSA-N 249.313 3.972 50 40 BHGB N#C/C(=C\c1ccco1)c1cccc(Cl)c1 408598465 AYWRAXUFQZZBSA-DHZHZOJOSA-N 229.666 3.997 50 40 BHGB CC(C)C[C@@H](C)CCCBr 1646210 NCQXIMABZKXPDU-VIFPVBQESA-N 207.155 3.844 50 40 BHGB CC(C)c1ccc(OCCBr)cc1 19515613 UZKXBHFWGVLECL-UHFFFAOYSA-N 243.144 3.584 50 40 BHGB CC(C)Cc1ccc([C@@H](C)C(=O)Cl)cc1 15020193 QXVRLFIKHYCFJS-SNVBAGLBSA-N 224.731 3.754 50 40 BHGB FC(F)(F)C(F)(F)P(Cl)Cl 95698207 WMSZCUQAAMZSLG-UHFFFAOYSA-N 220.892 3.931 50 40 BHGB S=C=NCCCCCCc1ccccc1 2584623 VJNWEQGIPZMBMA-UHFFFAOYSA-N 219.353 3.892 50 40 BHGB in-vitro Cc1ccc(C(=O)CCCCCCl)cc1 2514114 DWSZWLDXSMGGPY-UHFFFAOYSA-N 224.731 3.977 50 40 BHGB Cc1cc(F)cc(C(=O)CCCCCl)c1 382680192 AKTCLWJIAMFSFP-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB COc1cccc(-c2nc(CCl)cs2)c1 2651885 JINGRBSUZXYBFM-UHFFFAOYSA-N 239.727 3.558 50 40 BHGB in-vitro Cc1cc(SC#N)cc(C(C)(C)C)c1O 1661509 RYWPHPITXKKLJE-UHFFFAOYSA-N 221.325 3.571 50 40 BHGB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Cl 2643989 NLKTVLRJPSPMJX-VHSXEESVSA-N 239.746 3.766 50 40 BHGB O=C(c1cccc(F)c1)[C@@H](Cl)c1ccccc1 127002127 NYGIZHORVANKJW-ZDUSSCGKSA-N 248.684 3.989 50 40 BHGB CC1(C)CC(Cl)=C(C=O)C(C)(C)C1 34335877 JCLCCZXFSVUKRD-UHFFFAOYSA-N 200.709 3.524 50 40 BHGB Cc1c(-c2nnc(CCl)o2)oc2ccccc12 20281032 HWZKGZKPMHOXSV-UHFFFAOYSA-N 248.669 3.530 50 40 BHGB N#C/C(=C/c1ccc(F)cc1)c1cccc(C#N)c1 408566960 JJFNLZJZADMIGH-NVNXTCNLSA-N 248.260 3.762 50 40 BHGB CCC[C@H]1CCCC[C@H]1Br 1717274 KAPCYUWEWWUIKN-DTWKUNHWSA-N 205.139 3.740 50 40 BHGB Cc1cc(C)c(C(=O)CCCCl)c(C)c1 31893199 IGTJGHVNRJRHFE-UHFFFAOYSA-N 224.731 3.814 50 40 BHGB ClCc1nc(-c2ccccc2)n2ccccc12 35576314 NPYHLKOKZHIHEP-UHFFFAOYSA-N 242.709 3.740 50 40 BHGB Cc1ccc(C)c(C(=O)CCCCl)c1 1635545 RLXPXHOSBRQERJ-UHFFFAOYSA-N 210.704 3.505 50 40 BHGB Cc1ncsc1CO[Si](C)(C)C(C)(C)C 212402256 IYHGTXOGGBFKOV-UHFFFAOYSA-N 243.448 3.973 50 40 BHGB Cc1csc(/C(C#N)=C/c2ccccc2F)n1 10277310 GIZZDGXAAZBGJE-IZZDOVSWSA-N 244.294 3.655 50 40 BHGB Cc1cc(CCl)cnc1Oc1ccccc1 72222109 MISHAUVUSONAIN-UHFFFAOYSA-N 233.698 3.921 50 40 BHGB O=C(Cl)CCCSc1ccc(Cl)cc1 33435153 FBWIJTBWZFBUTB-UHFFFAOYSA-N 249.162 3.978 50 40 BHGB Cc1ccc(OP(=O)(Cl)Cl)cc1 100258677 OSDCKQFKYUESEG-UHFFFAOYSA-N 225.011 3.960 50 40 BHGB N#CC(C#N)=C/C=C(\Cl)c1ccc(Cl)cc1 162459 OOQYSQNSVIKCAR-SDQBBNPISA-N 249.100 3.893 50 40 BHGB Cc1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1 406171 OJKSFVGHZJFGLC-UHFFFAOYSA-N 234.258 3.686 50 40 BHGB COc1ccc(-c2ccc(C(=O)Cl)cc2)cc1 34050403 SKWKKEPLQSGOCS-UHFFFAOYSA-N 246.693 3.741 50 40 BHGB CC1(C)[C@H]2CC[C@]1(C)[C@H](Br)C2 49942689 OTOQMOVZIUGCQE-QXFUBDJGSA-N 217.150 3.596 50 40 BHGB Br[C@H]1Cc2cccc3cccc1c23 96509963 DRZNOPRRQNUPSF-NSHDSACASA-N 233.108 3.832 50 40 BHGB O=C(Cc1ccccc1)[C@@H](Cl)c1ccccc1 17021089 UJUGDQSBAIDNOK-HNNXBMFYSA-N 244.721 3.778 50 40 BHGB Cc1csc(/C(C#N)=C\c2ccccc2)n1 33916908 WGFWKZOXQKWVHK-GHXNOFRVSA-N 226.304 3.516 50 40 BHGB O=C(Cl)c1cccc2c(Cl)cccc12 40545890 PLAMLUGVRFKMLZ-UHFFFAOYSA-N 225.074 3.872 50 40 BHGB ClC(Cl)c1nc2ccccc2s1 1666434 IEHOAJPYPWLJIC-UHFFFAOYSA-N 218.108 3.773 50 40 BHGB CC(=O)SSC12CC3CC(CC(C3)C1)C2 5663500 AKEZBSIFYLHHSL-UHFFFAOYSA-N 242.409 3.883 50 40 BHGB CC(C)(C)[Si](C)(C)Oc1cccc(N)c1 196410393 XBZVPWIDTDAKDL-UHFFFAOYSA-N 223.392 3.653 50 40 BHGB CCc1ccc(-c2nc(CCl)c(C)o2)cc1 3913583 CAMXLIDWAPOXML-UHFFFAOYSA-N 235.714 3.951 50 40 BHGB Fc1cc(CCCl)cc(C(F)(F)F)c1 116943113 AMEYMKOBTANINI-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB CCc1ccc([C@H](C)CC(=O)Cl)cc1 11629161 JRUCTKLAWOIDIZ-SECBINFHSA-N 210.704 3.508 50 40 BHGB ClCc1cnc(Nc2ccccc2)s1 36644042 VCUDPDXDUBVVKG-UHFFFAOYSA-N 224.716 3.626 50 40 BHGB CCCn1c(CCl)nc2cccc(Cl)c21 37412713 VLXOKVSDHVUFHZ-UHFFFAOYSA-N 243.137 3.839 50 40 BHGB CCn1cccc1/C=C(/C#N)c1ccccc1F 6359495 UAMUJSRTAUBRDJ-BENRWUELSA-N 240.281 3.711 50 40 BHGB Cc1cc(F)ccc1C(=O)C(C)(C)CCl 382683353 CMUQGXHOZULYSM-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB C[C@@H](Cl)c1nc(-c2ccc(Cl)cc2)no1 34972893 YVIPAQAGSSUVOB-ZCFIWIBFSA-N 243.093 3.690 50 40 BHGB in-vitro N#C[C@H](Cl)c1cccc(Cl)c1Cl 45626726 DUZHRXYEQZXKDQ-ZETCQYMHSA-N 220.486 3.797 50 40 BHGB CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1 33955053 RJZWGDPBGWGJNU-MTXIQXFFSA-N 218.340 3.904 50 40 BHGB endogenous,in-man CC[C@@H](Cl)C(=O)c1ccc(Cl)s1 307040385 IOOVYNBIYQNUQB-RXMQYKEDSA-N 223.124 3.602 50 40 BHGB C[C@H](CCBr)c1ccccc1 49780953 OWHLOGXZPKYCPV-SECBINFHSA-N 213.118 3.575 50 40 BHGB C[C@H]1C=C(C#N)O[C@H](c2ccc(Cl)cc2)C1 4267790 QLHBXMYHHVDVOV-ZANVPECISA-N 233.698 3.845 50 40 BHGB biogenic O=C(CCCCCCl)c1ccccc1F 2378514 KCVCKLLLZBUONZ-UHFFFAOYSA-N 228.694 3.808 50 40 BHGB N#C/C=C/c1ccc(OCc2ccccc2)cc1 38200998 OSGFJSAOKKUNFI-QPJJXVBHSA-N 235.286 3.802 50 40 BHGB C/C(CCl)=C(/C#N)c1nc2ccccc2s1 3353343 RMMQZJVCETZXHO-CMDGGOBGSA-N 248.738 3.832 50 40 BHGB O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@H]2Cl 5187710 CFOXGLWULBUSKA-CYBMUJFWSA-N 245.665 3.903 50 40 BHGB C[C@H](Cl)c1ccc(OC(F)F)cc1 36905072 KYCJKSKUEAQPSC-LURJTMIESA-N 206.619 3.588 50 40 BHGB CCOc1ccc(/C=C/C(=O)Cl)cc1Cl 72209096 RIRRJOYNISGXFX-GQCTYLIASA-N 245.105 3.517 50 40 BHGB COc1ccc(/C(C#N)=C/c2cccs2)cc1 150314 BDGBPQQQQHJRRM-FMIVXFBMSA-N 241.315 3.821 50 40 BHGB CCCCCCC[C@]1(C)OC[C@H](CCl)O1 1689256 UXXUXZDOUDKIMN-NWDGAFQWSA-N 234.767 3.717 50 40 BHGB Fc1cc(F)cc([C@H](Cl)CCCl)c1 1857793259 AYLYKGBMBQXHHX-SECBINFHSA-N 225.065 3.874 50 40 BHGB Cc1cc(C)c(CSC#N)cc1CSC#N 1604608 JOWALRWDNIXMAX-UHFFFAOYSA-N 248.376 3.732 50 40 BHGB Cc1c(CCl)noc1-c1ccc(F)cc1 4218196 JORGUYJLYFNPOD-UHFFFAOYSA-N 225.650 3.528 50 40 BHGB CC(C)=CCC[C@](C)(Cl)[C@H](Cl)C=O 100086079 FPGSVUOYNGKPSG-ZJUUUORDSA-N 223.143 3.537 50 40 BHGB CC[C@@]1(Cl)C[C@@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933472 CVJLWLAYZAIORM-OOJXKGFFSA-N 249.996 3.990 50 40 BHGB CC[C@H](C)c1ccc(C(=O)CCl)cc1 3276771 GBKATGIDLDKFDX-VIFPVBQESA-N 210.704 3.622 50 40 BHGB in-vitro CCCCCCCC[C@@H]1OC[C@H](CCl)O1 1674876 PBEQIZISCGTLQB-NWDGAFQWSA-N 234.767 3.717 50 40 BHGB Cc1oc(-c2ccc(F)cc2)cc1C(=O)Cl 77073089 HUXIPTFKLXZCBK-UHFFFAOYSA-N 238.645 3.773 50 40 BHGB CC[C@@H](C)[C@@H](C(=O)Cl)c1ccccc1 20248517 MOUBRISNOTZUNT-MWLCHTKSSA-N 210.704 3.582 50 40 BHGB ClCc1cc(-c2cc3ccccc3o2)on1 26421042 HMUIIJRJPZOMJS-UHFFFAOYSA-N 233.654 3.827 50 40 BHGB Clc1ccc(P(Cl)Cl)cc1 95671014 DZOPBRSPKCADEN-UHFFFAOYSA-N 213.431 3.755 50 40 BHGB C[Si](C)(C)OCCCCCCCl 195761855 DJZFWIANWGTBBQ-UHFFFAOYSA-N 208.805 3.637 50 40 BHGB CC(C)(C)Oc1cccc(CBr)c1 2527665 GIJVMLYENVUUGA-UHFFFAOYSA-N 243.144 3.759 50 40 BHGB Cc1ccc(C)c(/C=C(\C#N)C(=O)C(C)(C)C)c1 13141299 QMWYIVQTFWNWRG-NTEUORMPSA-N 241.334 3.826 50 40 BHGB Fc1ccc(-c2nc(CCl)cs2)cc1 2647760 HJJPMUWLLCPTRX-UHFFFAOYSA-N 227.691 3.688 50 40 BHGB in-vitro Fc1ccccc1CCCCBr 70791485 CGNAYVOOGLVBDX-UHFFFAOYSA-N 231.108 3.543 50 40 BHGB CC(C)COc1ccccc1CBr 36894687 IMRPPXKOKBZGQO-UHFFFAOYSA-N 243.144 3.616 50 40 BHGB N#CSCCSCc1ccc(Cl)cc1 1724579 UAXHEAFIRAJQDK-UHFFFAOYSA-N 243.784 3.787 50 40 BHGB CC(C)(C)c1ccc(C#CCCl)cc1 57840853 VCUDVXMRRPKHOI-UHFFFAOYSA-N 206.716 3.574 50 40 BHGB Cc1cc(N2CCCCCC2)ncc1CCl 72223515 JPVCKBCFAKNBJP-UHFFFAOYSA-N 238.762 3.509 50 40 BHGB Cc1cc(C(=O)Cl)cc(C(F)(F)F)c1F 91252090 CVJZTMWMSKRYDY-UHFFFAOYSA-N 240.583 3.532 50 40 BHGB O=C(Cl)c1ccc(-c2ccccc2Cl)o1 3882216 YPZJTGPIDJPIQD-UHFFFAOYSA-N 241.073 3.979 50 40 BHGB COc1ccc(/C=C(\C#N)c2ccccc2)cc1 16931857 VQADOVBGJXESGV-RVDMUPIBSA-N 235.286 3.759 50 40 BHGB CC[C@H](Cl)C(=O)c1c(C)cccc1Cl 306404974 BOUGZKDVVIGXMV-QMMMGPOBSA-N 231.122 3.849 50 40 BHGB Cc1cc(C)c(C)c(C(=O)[C@H](C)Cl)c1C 19803150 BFUGJMJXLNXCQH-NSHDSACASA-N 224.731 3.730 50 40 BHGB CC(C)(C)[Si](C)(C)OCCCCCC=O 195917312 QRPJDVQNRZJLJE-UHFFFAOYSA-N 230.424 3.768 50 40 BHGB in-vitro CC(C)c1cccc(C(=O)[C@H](C)Cl)c1 307090166 WAFMKRNKDWFAIN-VIFPVBQESA-N 210.704 3.620 50 40 BHGB Cc1ccc2ccccc2c1C(=O)Cl 3848410 PTOWDOKEXPHSFV-UHFFFAOYSA-N 204.656 3.527 50 40 BHGB biogenic CCC(C)(OOC(C)(C)C)OOC(C)(C)C 1687064 HQOVXPHOJANJBR-UHFFFAOYSA-N 234.336 3.606 50 40 BHGB Cc1ccc(CCl)c(CCl)c1C 3612568 SQFQIHCPTTUZCP-UHFFFAOYSA-N 203.112 3.781 50 40 BHGB C[C@H](Cl)c1ccc(OC(F)(F)F)cc1 20377832 FMKOVXXCOSGLCT-LURJTMIESA-N 224.609 3.885 50 40 BHGB in-vitro Cc1ccc2ccccc2c1C(=O)[C@H](C)Cl 36197328 RIXBGWKNLNACKZ-JTQLQIEISA-N 232.710 3.958 50 40 BHGB ClCc1ccc(-c2nc3ccccc3[nH]2)cc1 152680 WKZPQAHPSROHBX-UHFFFAOYSA-N 242.709 3.969 50 40 BHGB C/C(=C/CCBr)c1ccccc1 1719479 QXCDKFHIJUHTFG-POHAHGRESA-N 225.129 3.875 50 40 BHGB ClCc1nnc(-c2cccc3ccccc23)o1 163475 VDCURDDZXJGXHJ-UHFFFAOYSA-N 244.681 3.629 50 40 BHGB O=C(Cl)[C@@H](c1ccccc1)C1CCCC1 2574160 OSGGRLYAWNSAGG-LBPRGKRZSA-N 222.715 3.726 50 40 BHGB in-vitro CC[C@H](Cl)C(=O)c1ccc(C)cc1C 71423617 HJZXUTBEWQVCLN-NSHDSACASA-N 210.704 3.504 50 40 BHGB C[C@H](Cl)C(=O)c1cccc(C(C)(C)C)c1 238424935 RSDTYGOGUKUSFW-VIFPVBQESA-N 224.731 3.794 50 40 BHGB COc1ccc(C)cc1C(=O)CCCCCl 382672635 BWAIMFQXSORQJT-UHFFFAOYSA-N 240.730 3.595 50 40 BHGB C[C@H](Cl)C(=O)c1cc(Cl)cc(Cl)c1 238422186 KJBRPVZENIPRNM-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB O=C(CCCCCl)c1ccc(Cl)s1 38764710 YUMHHYKSFGRAIX-UHFFFAOYSA-N 237.151 3.993 50 40 BHGB CCCn1c(CCCCl)nc2ccccc21 36895960 OQLDSFKFGOKVCB-UHFFFAOYSA-N 236.746 3.618 50 40 BHGB Cc1nc(Nc2ccccc2)ccc1CCl 72224347 KYKGXDANLFFMGV-UHFFFAOYSA-N 232.714 3.872 50 40 BHGB Cc1cc(C(=O)[C@@H](C)Cl)cc(C)c1Cl 307234266 FGLFEJDFIWTYPJ-MRVPVSSYSA-N 231.122 3.767 50 40 BHGB Fc1ccc(SC(CCl)CCl)cc1 1610067 LIWQRLJKDFATDY-UHFFFAOYSA-N 239.142 3.764 50 40 BHGB N#CC(C#N)=C/C=C/C=C/C=C/c1ccccc1 5369449 HPVVZFHDTASVFI-AEDMPMLASA-N 232.286 3.786 50 40 BHGB CCCn1c(CCl)nc2cc(Cl)ccc21 36890389 QTIHIOCMBICBLB-UHFFFAOYSA-N 243.137 3.839 50 40 BHGB C=C(/C=C/C=C/C#N)/C=C/c1ccccc1 1570007140 KTDXAARQQIIHCF-PCOYTALMSA-N 207.276 3.892 50 40 BHGB ClCCCSSCCCCl 1611271 GRSMNCKPBGIIFY-UHFFFAOYSA-N 219.202 3.626 50 40 BHGB BrC[C@H]1Cc2cccc3cccc1c23 96509961 PYIHWZMKXKRUBB-LLVKDONJSA-N 247.135 3.874 50 40 BHGB C/C(=C/O[Si](C)(C)C)c1ccccc1 195775868 VUMGCZGDSNWOKF-KHPPLWFESA-N 206.361 3.899 50 40 BHGB N#C/C(=C\c1ccsc1)C(=O)c1ccccc1 4964322 KZVMODBOSJMHOE-MDWZMJQESA-N 239.299 3.538 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)c(F)c1 306922030 STRLAYUJZDQIOS-ZETCQYMHSA-N 235.085 3.679 50 40 BHGB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Br)C2 100224780 OTOQMOVZIUGCQE-XKSSXDPKSA-N 217.150 3.596 50 40 BHGB CCOc1cc(CCl)cc2ccccc12 96527821 VNKHCNMXSYCMFA-UHFFFAOYSA-N 220.699 3.977 50 40 BHGB O=C(CCCCCCl)c1ccccc1 2567553 DRIUYSZHJOMWHB-UHFFFAOYSA-N 210.704 3.669 50 40 BHGB CC(C)n1c([C@@H](C)Cl)nc2ccccc21 36895987 HUXKEGYQICETHH-SECBINFHSA-N 222.719 3.917 50 40 BHGB Fc1ccc(C#CCCCCl)cc1Cl 95632891 GFZGDJXMXHMRLR-UHFFFAOYSA-N 231.097 3.850 50 40 BHGB Cc1cc(C(=O)Cl)ccc1OCCC(C)C 95739794 YRPHOGLURYQNAC-UHFFFAOYSA-N 240.730 3.799 50 40 BHGB Cc1ccc(C(=O)CCCCl)c(Cl)c1 308466927 YRDIVNAZJABTFY-UHFFFAOYSA-N 231.122 3.850 50 40 BHGB C[C@@H]1CC(=O)[C@H]2C[C@H](Cl)CC[C@]2(C)[C@@H]1C 5104303 JEZXHSUHLBZFSK-VDWIVTDKSA-N 228.763 3.645 50 40 BHGB Cc1cc(C)cc(/C=C(\C#N)c2ccccn2)c1 96313696 MTPNYHJYWWXLHK-XNTDXEJSSA-N 234.302 3.763 50 40 BHGB C[Si](C)(CCl)Oc1ccc(Cl)cc1 195751448 GCDIJBIEWICIDG-UHFFFAOYSA-N 235.186 3.702 50 40 BHGB CC(C)Cc1ccc([C@H](C)C(=O)Cl)cc1 2383478 QXVRLFIKHYCFJS-JTQLQIEISA-N 224.731 3.754 50 40 BHGB in-vitro Cc1ccc(C(=O)C(C)(C)CCl)c(F)c1 379796252 KDKXTVOSYYSYIN-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB CC[C@]1(Cl)C[C@@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933471 CVJLWLAYZAIORM-NGJRWZKOSA-N 249.996 3.990 50 40 BHGB Br[C@H](c1ccccc1)C1CCC1 58143840 KMCZVBKGQSSCRG-LLVKDONJSA-N 225.129 3.923 50 40 BHGB CC(C)CCOc1ccc(C=C(C#N)C#N)cc1 13141560 HPGRBZZGTLBJOG-UHFFFAOYSA-N 240.306 3.542 50 40 BHGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccccc1 295172 PUPNXZWXGVJILF-UHFFFAOYSA-N 247.301 3.525 50 40 BHGB CCCCc1ccc(NC(=O)CCl)c(C)c1 2565091 VSVQVHUIXUSISP-UHFFFAOYSA-N 239.746 3.515 50 40 BHGB COc1ccc(C(=O)CCCCCCl)cc1 43212775 NSARVEGIOLYKLI-UHFFFAOYSA-N 240.730 3.677 50 40 BHGB N#C[C@@H](Cl)c1cc(Cl)cc(Cl)c1 45626942 PNMFSICXPRETCH-MRVPVSSYSA-N 220.486 3.797 50 40 BHGB ClCCSCc1ccccc1Cl 1615375 METHRNHPAHSJPF-UHFFFAOYSA-N 221.152 3.812 50 40 BHGB Fc1ccc(CCCl)c(C(F)(F)F)c1 89065421 UIJZVVOVQGFBHG-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Cl 2654627 AKLKTQNAKIHBSY-JTQLQIEISA-N 239.746 3.684 50 40 BHGB C[C@@H]1C=C(C#N)O[C@H](c2ccc(Cl)cc2)C1 4267791 QLHBXMYHHVDVOV-RNCFNFMXSA-N 233.698 3.845 50 40 BHGB biogenic Cc1ccc(SCCBr)cc1C 19514521 MRMFGTPAFONFTH-UHFFFAOYSA-N 245.185 3.790 50 40 BHGB in-vitro CCCN(CCC)c1cc(C)c(CCl)cn1 72223278 ISRORGPTXDJONY-UHFFFAOYSA-N 240.778 3.755 50 40 BHGB C=Cc1ccc(C(=O)CCCCCl)cc1 382686539 FXSXWCPFPOWANC-UHFFFAOYSA-N 222.715 3.921 50 40 BHGB Clc1ccc2c(c1)[C@@H](Cl)CCC2 49634885 KOIYZWDKDIGNLU-JTQLQIEISA-N 201.096 3.956 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(Cl)c(F)c1 306922029 STRLAYUJZDQIOS-SSDOTTSWSA-N 235.085 3.679 50 40 BHGB C[C@@H](CCBr)CC(C)(C)C 54711035 JUHBYLSCAJAHEH-QMMMGPOBSA-N 207.155 3.844 50 40 BHGB C#CC(C)(C)OOC(C)(C)C1CCCCC1 101115770 DGTOFBFOECOEIB-UHFFFAOYSA-N 224.344 3.705 50 40 BHGB CC(C)CSc1ccccc1C(=O)Cl 95739834 TZXLPSYVTHPBJP-UHFFFAOYSA-N 228.744 3.814 50 40 BHGB CC[C@]1(Cl)C[C@H](Cl)[C@@H](Cl)C[C@H]1Cl 254556359 CVJLWLAYZAIORM-HSNKUXOKSA-N 249.996 3.990 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(OC)cc1Cl 308817360 WELAXPHEIZWRBD-SECBINFHSA-N 247.121 3.549 50 40 BHGB N#CC(C#N)=Cc1ccc(Oc2ccccc2)cc1 1628700 SXRWNGUTWXJXPG-UHFFFAOYSA-N 246.269 3.909 50 40 BHGB Cc1cc(C)c(NC(=O)[C@H](C)Cl)c(Cl)c1 32626864 SFHOWCDKGLMGIU-QMMMGPOBSA-N 246.137 3.523 50 40 BHGB in-vitro N#C/C(=C/c1ccc(C#N)cc1)c1ccccc1F 33706224 XXEYBMSSPAKAMU-ZROIWOOFSA-N 248.260 3.762 50 40 BHGB C#CCCCCCCCCC(=O)Cl 34549302 XKDNIPKFDFGOGE-UHFFFAOYSA-N 200.709 3.506 50 40 BHGB N#C/C=C(/c1ccc(F)cc1)N1CCCCCC1 75105704 RZKRQEMXMWECPZ-DHDCSXOGSA-N 244.313 3.566 50 40 BHGB CCn1cccc1/C=C(/C#N)c1cccc(F)c1 409393896 SYCMUDKNGDFMMT-RAXLEYEMSA-N 240.281 3.711 50 40 BHGB N#CS[C@H]1CCCCCC[C@@H]1SC#N 95870350 ZPEGMCSXWLQQFW-UWVGGRQHSA-N 226.370 3.506 50 40 BHGB CCS/C(C#N)=C\c1ccccc1Cl 5664774 SKYBZWSDMWQNSX-YFHOEESVSA-N 223.728 3.958 50 40 BHGB CCCOc1ccc(C(=O)CCl)cc1Cl 36198406 KHGQWDZVIPDMFY-UHFFFAOYSA-N 247.121 3.550 50 40 BHGB CC(C)c1ccc2oc(=O)cc(CCl)c2c1 541728 CACWJXMMNAZKJO-UHFFFAOYSA-N 236.698 3.655 50 40 BHGB biogenic N#C/C(=C\c1ccc(Cl)s1)c1ccccn1 12557444 YIHBJIYJITVBIR-VQHVLOKHSA-N 246.722 3.861 50 40 BHGB Cc1cc(Cl)ccc1OCCCC(=O)Cl 2379802 LLXACCVLILSPHU-UHFFFAOYSA-N 247.121 3.573 50 40 BHGB CCC=C(O[Si](C)(C)C)O[Si](C)(C)C 195751503 SAHQXLGIMJBFLB-UHFFFAOYSA-N 232.472 3.941 50 40 BHGB CC(C)C[C@H](C)CCCBr 2048733 NCQXIMABZKXPDU-SECBINFHSA-N 207.155 3.844 50 40 BHGB C[C@H](Cl)C(=O)c1cc(Cl)ccc1Cl 36179865 JDTDCUUREQULBB-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB Cc1cc(F)cc(C#CCCCCl)c1 95632286 MWQKYTIWYOYUHR-UHFFFAOYSA-N 210.679 3.505 50 40 BHGB CC(C)(CCl)C(=O)c1ccc(Cl)s1 307304674 HROLATIEYDDMTD-UHFFFAOYSA-N 237.151 3.849 50 40 BHGB Cc1cccc(C(=O)CCCCCl)c1 2514111 FJYUUVSZAMYNDH-UHFFFAOYSA-N 210.704 3.587 50 40 BHGB Cc1ccc(-c2nc(CCl)co2)c(C)c1 12803983 USRNPPSBRKQGBI-UHFFFAOYSA-N 221.687 3.697 50 40 BHGB O=C(Cl)/C=C/c1ccc(-c2ccccc2)o1 8729540 MAJPCNFLTUOOHT-VQHVLOKHSA-N 232.666 3.725 50 40 BHGB Cc1csc(/C(C#N)=C\c2ccc(F)cc2)n1 40461218 ZFZGHELDCNKPIP-WDZFZDKYSA-N 244.294 3.655 50 40 BHGB Cc1ccc(C(=O)CCCCCl)s1 34116804 NXTCIGQPYWHOSG-UHFFFAOYSA-N 216.733 3.648 50 40 BHGB CCOc1ccc([C@@H](C)Br)cc1 36894584 MUPZVAHHMFSQNT-MRVPVSSYSA-N 229.117 3.541 50 40 BHGB CC(C)c1ccccc1C(=O)[C@@H](C)Cl 307250129 LBEVGJWZGOWINR-SECBINFHSA-N 210.704 3.620 50 40 BHGB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Cl 2643991 NLKTVLRJPSPMJX-UWVGGRQHSA-N 239.746 3.766 50 40 BHGB O=C(CCCCCl)c1cccc(Cl)c1 43210698 RMCSGLFCRJLUKS-UHFFFAOYSA-N 231.122 3.932 50 40 BHGB C[C@@H](Br)c1ccccc1Cl 57214465 QYKKDCRHMDKWFK-ZCFIWIBFSA-N 219.509 3.796 50 40 BHGB in-vitro C[C@]1(Cl)C[C@@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933465 PQUFNWZWIZOKHV-JWXFUTCRSA-N 235.969 3.600 50 40 BHGB O=C(/N=N\c1ccccc1)NNc1ccccc1 12405017 ZFWAHZCOKGWUIT-ICFOKQHNSA-N 240.266 3.507 50 40 BHGB CC[C@H](Cl)C(=O)c1cc(F)ccc1Cl 307433549 JJYWRHGVUXDVFW-QMMMGPOBSA-N 235.085 3.679 50 40 BHGB CCCCCCC[C@@]1(C)OC[C@H](CCl)O1 1689255 UXXUXZDOUDKIMN-RYUDHWBXSA-N 234.767 3.717 50 40 BHGB C[C@@H](Cl)C(=O)c1ccc2ccccc2c1 39055802 AJLOJLVEADHPJX-SECBINFHSA-N 218.683 3.650 50 40 BHGB Cc1ccc2ccccc2c1C(=O)[C@@H](C)Cl 36197326 RIXBGWKNLNACKZ-SNVBAGLBSA-N 232.710 3.958 50 40 BHGB CC(C)(C)C1CCC(=C(C#N)C#N)CC1 499234 HPEBEFGIAXHQBP-UHFFFAOYSA-N 202.301 3.566 50 40 BHGB ClCc1cc(-c2ccc3c(c2)CCCC3)on1 41300154 SWHNFPDZFXGIGA-UHFFFAOYSA-N 247.725 3.959 50 40 BHGB CCCCCCCCCCCC(=O)OC(C)=O 101673636 BRXPETQWSNQLQV-UHFFFAOYSA-N 242.359 3.997 50 40 BHGB N#C/C(=C/c1cccc(C#N)c1)c1ccccc1 8653231 CXJKVFRICVKGEU-YBEGLDIGSA-N 230.270 3.622 50 40 BHGB CC[C@H](Oc1ccccc1C(C)C)C(=O)Cl 36720658 UBXMIDRUCBJLOD-NSHDSACASA-N 240.730 3.733 50 40 BHGB CSc1ccccc1C(=O)C(C)(C)CCl 382708723 WALJPPCTIZPEEZ-UHFFFAOYSA-N 242.771 3.856 50 40 BHGB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Cl 2643988 NLKTVLRJPSPMJX-NXEZZACHSA-N 239.746 3.766 50 40 BHGB CCC[C@H](C)Oc1ccc(C(=O)Cl)cc1 6265375 FSEYTVAOPJPOPA-VIFPVBQESA-N 226.703 3.633 50 40 BHGB COc1ccccc1C(=O)CCCCCCl 38237445 LYBPMHGYJUGMND-UHFFFAOYSA-N 240.730 3.677 50 40 BHGB ClC[C@@H](Cl)[C@@H]1CC[C@H](Cl)[C@H](Cl)C1 104320838 QAZYDQVLTRKNST-ULAWRXDQSA-N 249.996 3.848 50 40 BHGB Cc1ccccc1/C=C(\C#N)C(=O)c1ccccc1 6545221 YZOHIUPWKOHKGU-LFIBNONCSA-N 247.297 3.785 50 40 BHGB CCCCCCCCCC(=O)OCCCl 2018890 WRIOEJKKXQEEFB-UHFFFAOYSA-N 234.767 3.909 50 40 BHGB S=C=NCc1ccc(Cl)cc1Cl 2168971 JZHPXEMPVDMDFB-UHFFFAOYSA-N 218.108 3.596 50 40 BHGB in-vitro Cc1cc(C)c2c(CC(=O)Cl)coc2c1C 72242858 JMJKFAXTWVPFOZ-UHFFFAOYSA-N 236.698 3.666 50 40 BHGB CCC[C@@H](C)Oc1ccc(C(=O)Cl)cc1 6265229 FSEYTVAOPJPOPA-SECBINFHSA-N 226.703 3.633 50 40 BHGB Cc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1 96843818 FCSBGLIEEKNWDY-QPEQYQDCSA-N 240.331 3.824 50 40 BHGB CC(C)(C)c1ccccc1CBr 89065178 HQMURGXQJSHZSO-UHFFFAOYSA-N 227.145 3.879 50 40 BHGB ClCc1coc(-c2cccc(Cl)c2)n1 12899562 PJLBVWOUVSFJQU-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB in-vitro Clc1cccc([C@H]2C[C@@H]2Br)c1 242522204 ILZJZXJSCHIBEI-BDAKNGLRSA-N 231.520 3.591 50 40 BHGB O=C(c1ccc(F)cc1)[C@H](Cl)c1ccccc1 126986101 MFOUYNSALQZQNM-CYBMUJFWSA-N 248.684 3.989 50 40 BHGB Cc1sc(-c2ccc(F)cc2)nc1CCl 225964480 CZWAZLCFVSWUCY-UHFFFAOYSA-N 241.718 3.996 50 40 BHGB O=C(Cl)C1(c2cccc(Cl)c2)CCCC1 11884481 UWRSIAAJBYOXPY-UHFFFAOYSA-N 243.133 3.917 50 40 BHGB CCSc1sc(CC)cc1C=C(C#N)C#N 42399 HAVBOTOIICUPJL-UHFFFAOYSA-N 248.376 3.853 50 40 BHGB Cc1cc(C)c(C)c(CCBr)c1C 71423664 BWIHQEXLCPLRQN-UHFFFAOYSA-N 241.172 3.858 50 40 BHGB CC1=C(C=O)C[C@@H]2[C@H](CCCC2(C)C)C1 2126440 YXDYSEASWHVHDK-DGCLKSJQSA-N 206.329 3.738 50 40 BHGB biogenic ClCc1csc(-c2ccsc2)n1 4218210 APIQUDKCQIGCKQ-UHFFFAOYSA-N 215.730 3.610 50 40 BHGB Fc1ccc(CCCl)cc1C(F)(F)F 116943105 PQUONCXNVDNOGU-UHFFFAOYSA-N 226.600 3.626 50 40 BHGB FC(F)Oc1ccc(N=C=S)cc1Cl 3885139 UPXFYVUFZDMGES-UHFFFAOYSA-N 235.642 3.676 50 40 BHGB N#CC=C(c1cccs1)c1cccs1 82238074 LSOOMEMFKODUCU-UHFFFAOYSA-N 217.318 3.765 50 40 BHGB O=C(Cl)c1ccccc1CCc1ccccc1 34406618 RNEXBGSRDTZVHE-UHFFFAOYSA-N 244.721 3.851 50 40 BHGB CC[C@@H](Cl)C(=O)c1c(C)cc(C)cc1C 71423572 RCGCDZXKGXRDAS-LLVKDONJSA-N 224.731 3.812 50 40 BHGB ClCCCSCc1ccccc1 34289261 BCEGZWVVDDHJOU-UHFFFAOYSA-N 200.734 3.549 50 40 BHGB O=C(Cl)c1cccnc1Sc1ccccc1 2170041 GDETZLUVMQQRPN-UHFFFAOYSA-N 249.722 3.612 50 40 BHGB O=C(Cl)C1(c2cccc(Cl)c2)CCC1 11884478 LTMHJCCVHGNGBI-UHFFFAOYSA-N 229.106 3.527 50 40 BHGB CC[C@H](Cl)C(=O)c1ccccc1Cl 306425644 HJWQOEXDBWZTBI-QMMMGPOBSA-N 217.095 3.540 50 40 BHGB COc1cc(CCl)cc2ccccc12 96527819 FXKNIPLTZAFAIA-UHFFFAOYSA-N 206.672 3.587 50 40 BHGB COc1ccc2ccccc2c1C(=O)[C@@H](C)Cl 36183101 KPXIHCYSRDWHDH-SECBINFHSA-N 248.709 3.658 50 40 BHGB ClCCCCCOCCCCCCl 1769363 ACOZENWMAHNCKZ-UHFFFAOYSA-N 227.175 3.821 50 40 BHGB C[C@H](Cl)C(=O)c1ccc(Cl)cc1Cl 34342935 BWABACVFJJBKOR-YFKPBYRVSA-N 237.513 3.803 50 40 BHGB CCCc1ccc2ncc(CCl)cc2c1 72226742 WZHNDEWXCMTGKO-UHFFFAOYSA-N 219.715 3.926 50 40 BHGB CCC[C@H]1CC[C@H](CBr)CC1 100016591 FNUWTRXUMODLEK-AOOOYVTPSA-N 219.166 3.988 50 40 BHGB C[C@@H](Cl)C(=O)c1csc2ccccc12 34973429 SXONBUBBOVFFMO-SSDOTTSWSA-N 224.712 3.711 50 40 BHGB C/C(=C\C(=O)O[Si](C)(C)C)C[Si](C)(C)C 195751500 QCGGJRHSTCBUNL-CSKARUKUSA-N 244.483 3.649 50 40 BHGB ClCc1ncc(-c2cccc(Cl)c2)o1 3444676 XREYQNDZYBPWOE-UHFFFAOYSA-N 228.078 3.734 50 40 BHGB in-vitro C[C@@H](Cl)c1nc(Cl)cc(C2CCC2)n1 95093984 QNMIKWNJCDEAAI-ZCFIWIBFSA-N 231.126 3.697 50 40 BHGB Cc1ccc(/C(C#N)=C\c2ccc(C)o2)cc1 4501677 FTMCEXGFVOFNGL-ZROIWOOFSA-N 223.275 3.961 50 40 BHGB COc1ccccc1/C=C(\C#N)c1ccccc1 16957508 DHHRPBSETDXPFV-RVDMUPIBSA-N 235.286 3.759 50 40 BHGB CC[C@@H](C)[C@H](C(=O)Cl)c1ccccc1 20248522 MOUBRISNOTZUNT-KOLCDFICSA-N 210.704 3.582 50 40 BHGB N#CC(C#N)=C(/C=C/c1ccco1)c1ccccc1 39252478 OCTNSOBYYAMHLV-CMDGGOBGSA-N 246.269 3.794 50 40 BHGB Cc1cc(CCl)cnc1N1CCCCCC1 72222475 AOAMGWPBQLDOJU-UHFFFAOYSA-N 238.762 3.509 50 40 BHGB C/C(=C\O[Si](C)(C)C)c1ccccc1 194926544 VUMGCZGDSNWOKF-ZHACJKMWSA-N 206.361 3.899 50 40 BHGB CN(Cc1ccccc1)/C(=C/C#N)c1ccccc1 75105649 KPCRAHDUKATZIU-SFQUDFHCSA-N 248.329 3.683 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(C)cc1Cl 307638364 ZVPKLFKDMBFZHW-VIFPVBQESA-N 231.122 3.849 50 40 BHGB O=C(CCCCl)c1ccccc1Cl 43210701 GKRNRTGWZLLPAO-UHFFFAOYSA-N 217.095 3.542 50 40 BHGB CCOc1cc(C(=O)Cl)cc2ccccc12 96527855 XHYPSUYVVLWHPM-UHFFFAOYSA-N 234.682 3.618 50 40 BHGB Cc1ccc(C(=O)C(C)(C)CCl)s1 307665454 BFBUVMOXJUBEBB-UHFFFAOYSA-N 216.733 3.504 50 40 BHGB C[C@H](Cl)CN(C)c1ccc2ccccc2c1 2033402 FOCDPAAPSAZTDW-NSHDSACASA-N 233.742 3.903 50 40 BHGB S=C=Nc1nc(-c2ccccc2)cs1 20153800 JAHCRDMHKIAGOD-UHFFFAOYSA-N 218.306 3.544 50 40 BHGB O=C(CCl)Cc1ccc(-c2ccccc2)cc1 47219203 RGYPGBPXNQGEIB-UHFFFAOYSA-N 244.721 3.704 50 40 BHGB CC[C@@H](Cl)C(=O)c1cc(F)cc(Cl)c1 306623789 BSHHKLVONNRGPV-SECBINFHSA-N 235.085 3.679 50 40 BHGB CC[C@@H](Cl)C(=O)c1cccc(Cl)c1 307276759 XNAQVJODXWXSHO-SECBINFHSA-N 217.095 3.540 50 40 BHGB Cc1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409394023 UNHAWFLMNFPJQU-WQLSENKSSA-N 227.238 3.791 50 40 BHGB Fc1cc(F)cc(C23CC(CCl)(C2)C3)c1 1772798014 APBDNCPJAXLTEP-UHFFFAOYSA-N 228.669 3.625 50 40 BHGB N#CSCc1ccc(Cl)c(Cl)c1 36533328 TYOSYBTXMFSKGI-UHFFFAOYSA-N 218.108 3.708 50 40 BHGB CCC(C)(C)c1ccc(/C=C(/C)C=O)cc1 71621085 VYLZDKRGDLITAA-BENRWUELSA-N 216.324 3.976 50 40 BHGB CCCCc1ccc(NC(=O)[C@H](C)Cl)cc1 20206438 UMGLSRJNOYDWDR-JTQLQIEISA-N 239.746 3.595 50 40 BHGB O=C(Nc1cccc(Cl)c1)OCCCCl 1655933 XBDGMXUOQWULMP-UHFFFAOYSA-N 248.109 3.517 50 40 BHGB N#C/C(=C/c1ccccc1)c1nc2ccccc2[nH]1 3896068 YASZPDZHYPEICO-RAXLEYEMSA-N 245.285 3.627 50 40 BHGB COc1ccccc1-c1ccc(C(=O)Cl)cc1 117854244 TWFRFMQLHLALSW-UHFFFAOYSA-N 246.693 3.741 50 40 BHGB N#C[C@H](Cl)c1cc(Cl)cc(Cl)c1 45626943 PNMFSICXPRETCH-QMMMGPOBSA-N 220.486 3.797 50 40 BHGB O=C(Cl)c1c(F)ccc(Cl)c1Cl 2527794 MQOLEIVNYIGJTH-UHFFFAOYSA-N 227.449 3.512 50 40 BHGB N#C/C(=C/c1cccnc1)c1ccccc1Cl 4824425 JLBKEPZSHKWCPH-WQLSENKSSA-N 240.693 3.799 50 40 BHGB C[C@H]1CC(=O)[C@@H]2C[C@H](Cl)CC[C@]2(C)[C@@H]1C 5104302 JEZXHSUHLBZFSK-FTEPDLOASA-N 228.763 3.645 50 40 BHGB Cc1ccc(C)c2sc(CCl)nc12 96875518 HSSUAOWAGAWBJG-UHFFFAOYSA-N 211.717 3.652 50 40 BHGB FC(F)(F)c1cccnc1C(Cl)Cl 100033329 QROUDJNVFAPUNJ-UHFFFAOYSA-N 230.016 3.577 50 40 BHGB N#CC(C#N)=C(Nc1ccccc1)c1ccccc1 3124784 MGYMTDOZDFABKE-UHFFFAOYSA-N 245.285 3.557 50 40 BHGB CC12CCC(CBr)(CC1)C2(C)C 217612272 DGARHGSHMZABEF-UHFFFAOYSA-N 231.177 3.988 50 40 BHGB CCCOc1ccc(C(=O)Cl)cc1Cl 9237274 NRWDQONAZDVAAJ-UHFFFAOYSA-N 233.094 3.508 50 40 BHGB N#C[C@H](Cl)Cc1ccc(Cl)c(Cl)c1 36205210 AJPIJOPALPIMGE-SSDOTTSWSA-N 234.513 3.667 50 40 BHGB Cc1nc(N(C)c2ccccc2)ccc1CCl 72224374 ARCKWGLXJFAUBF-UHFFFAOYSA-N 246.741 3.897 50 40 BHGB FC(F)(F)c1cc(CCl)cs1 138243545 RKRGIMIVNSWRKB-UHFFFAOYSA-N 200.612 3.506 50 40 BHGB Cc1cccc(/C=C(/C#N)c2nc(C)cs2)c1 96843845 BWMANSSEMGMNPS-QPEQYQDCSA-N 240.331 3.824 50 40 BHGB CC(C)CSC(=O)N[C@H]1CCCC[C@@H]1Cl 5380665 LJFRXILYSVPLSK-UWVGGRQHSA-N 249.807 3.635 50 40 BHGB Cc1ccc(OCCCCBr)cc1 2388628 WKFSNKTYOQGTBN-UHFFFAOYSA-N 243.144 3.549 50 40 BHGB Cc1csc(/C(C#N)=C/c2ccccc2)n1 6218814 WGFWKZOXQKWVHK-KPKJPENVSA-N 226.304 3.516 50 40 BHGB Fc1ccc(CCCCBr)cc1 69593719 OBNIYQYMZJBZHO-UHFFFAOYSA-N 231.108 3.543 50 40 BHGB CC(C)(C)[Si](C)(C)OCC1(CO)CCCC1 169747719 RZLWGRTZZWQGCZ-UHFFFAOYSA-N 244.451 3.561 50 40 BHGB CC[C@@H](Cl)C(=O)c1ccc(Cl)c(C)c1 71423504 XKYNMUVOHWWRIR-SECBINFHSA-N 231.122 3.849 50 40 BHGB O=C(Cl)c1ccc(-c2ccc(Cl)cc2)o1 2385515 DIIHNYGZCIJSIY-UHFFFAOYSA-N 241.073 3.979 50 40 BHGB Cc1oc(-c2cc(F)ccc2F)nc1CCl 39320627 VBZSKVQZUQLOOD-UHFFFAOYSA-N 243.640 3.667 50 40 BHGB Cc1ccccc1C(=O)CCCCCCl 2514107 JSFQOTGSHGJRCL-UHFFFAOYSA-N 224.731 3.977 50 40 BHGB Cc1ccc(/C(C#N)=C\c2ccco2)cc1 4501676 YRXSLWNCSDVGNT-LCYFTJDESA-N 209.248 3.652 50 40 BHGB ClCc1cc(Cl)nc2ccccc12 39225418 REPYMUWBGDQIOL-UHFFFAOYSA-N 212.079 3.627 50 40 BHGB CCCC[C@@H](CC)C(=O)OOC(C)(C)CC 100286080 IFXDUNDBQDXPQZ-LLVKDONJSA-N 230.348 3.866 50 40 BHGB CC1=CC(C)(C)Nc2ccc(SC#N)cc21 5232288 ZFTBOHXEUAQTOB-UHFFFAOYSA-N 230.336 3.867 50 40 BHGB Cc1ccc(Cl)c(C(=O)CCCCl)c1 36180102 SVPLEEPHXPIPST-UHFFFAOYSA-N 231.122 3.850 50 40 BHGB N#Cc1cccc(C(=O)CCCCCCCl)c1 43212801 DTEWSADGBKJKNW-UHFFFAOYSA-N 249.741 3.930 50 40 BHGB ClCc1cc(CCl)cc(CCl)c1 1678749 PJKMOHIGRNELRP-UHFFFAOYSA-N 223.530 3.903 50 40 BHGB CC1=CC(C)(C)N(C)c2ccc(SC#N)cc21 59500864 KXTMMJQJIRXNAN-UHFFFAOYSA-N 244.363 3.891 50 40 BHGB Cc1cc(CCl)cnc1N(C)c1ccccc1 72222293 QFRDUHPAIJTNTR-UHFFFAOYSA-N 246.741 3.897 50 40 BHGB COc1c(C)cc(C(=O)CCCCl)cc1C 164751873 ATPKVJGSVWJPPW-UHFFFAOYSA-N 240.730 3.514 50 40 BHGB CC[C@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@H]1Cl 254556357 CVJLWLAYZAIORM-CWKFCGSDSA-N 249.996 3.990 50 40 BHGB N#C[C@H](Cl)c1ccc(Cl)cc1Cl 45626887 XGFBMMMZHWLEFO-QMMMGPOBSA-N 220.486 3.797 50 40 BHGB CCc1ccc(/C=C(/C#N)c2ccccn2)cc1 96398820 FRYXDTZQEBTOBM-PTNGSMBKSA-N 234.302 3.708 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(OC)cc1Cl 308817361 WELAXPHEIZWRBD-VIFPVBQESA-N 247.121 3.549 50 40 BHGB C=C[Si](C=C)(OC(C)(C)C)OC(C)(C)C 196461932 ZROARXDBMMHDIT-UHFFFAOYSA-N 228.408 3.509 50 40 BHGB ClCCc1c[nH]c2cccc(Cl)c12 199562067 UNCIWMUHGLIVDT-UHFFFAOYSA-N 214.095 3.603 50 40 BHGB COc1ccc(Cl)cc1C#CCCCCl 95631556 BUABNKZWUUZEMZ-UHFFFAOYSA-N 243.133 3.719 50 40 BHGB ClCSc1nc2ccccc2s1 6118723 HBFOPLIDEZBACO-UHFFFAOYSA-N 215.730 3.585 50 40 BHGB CCCCCC[C@H](C)OC(=O)[C@@H](C)Cl 1597331 SNRMOKLQYYZTJR-VHSXEESVSA-N 220.740 3.516 50 40 BHGB C[C@@H](Cl)C(=O)c1ccccc1C(F)(F)F 238427849 ZXDUPTXRUGQKQN-ZCFIWIBFSA-N 236.620 3.515 50 40 BHGB COc1ccc2c(OC(=O)Cl)cccc2c1 2362803686 XMOIAOUYYWYGRN-UHFFFAOYSA-N 236.654 3.586 50 40 BHGB S=C=N[C@@H]1CCCC[C@H]1OCc1ccccc1 2548025 DNRPSBSMXLYTQF-ZIAGYGMSSA-N 247.363 3.617 50 40 BHGB CC[C@H](Cl)C(=O)c1cc(Cl)ccc1C 307072071 HJURYVMXYZTGMQ-JTQLQIEISA-N 231.122 3.849 50 40 BHGB Cc1ccc(F)cc1C#CCCCCl 95632425 RRGMCXVZNFXQNZ-UHFFFAOYSA-N 210.679 3.505 50 40 BHGB CC(C)Oc1ccc(Cl)cc1C(=O)Cl 72209103 NXNXZMUGIGFIDC-UHFFFAOYSA-N 233.094 3.506 50 40 BHGB CC(C)c1ccc(C(=O)[C@H](C)Cl)cc1 32012437 FFXACZABKUXIHE-VIFPVBQESA-N 210.704 3.620 50 40 BHGB CC(C)c1ccc(OCCCC(=O)Cl)cc1 26470496 BDPLOQHRNXKPAK-UHFFFAOYSA-N 240.730 3.734 50 40 BHGB Cc1ccccc1SC[C@@H](C)CCl 70067204 PXJTXQPBZWBSMC-VIFPVBQESA-N 214.761 3.962 50 40 BHGB CC(C=O)=C(c1ccccc1)c1ccccc1 1709835 PAHQCZOQDFWMHM-UHFFFAOYSA-N 222.287 3.707 50 40 BHGB CC1(C)CC(C=O)=C(Cl)c2ccccc21 134103764 GQEFVFASYLZGDH-UHFFFAOYSA-N 220.699 3.517 50 40 BHGB Cc1ccc2nc(Cl)c(CCl)cc2c1 11985070 QTVPGRBERZUJGG-UHFFFAOYSA-N 226.106 3.935 50 40 BHGB S=C(Cl)Oc1ccc2ccccc2c1 2392238 INFPIPCTRVDPJG-UHFFFAOYSA-N 222.696 3.742 50 40 BHGB in-vitro O=C(CCCCl)c1ccc2c(c1)CCCC2 9237792 RBYNNFPVKRNXIH-UHFFFAOYSA-N 236.742 3.767 50 40 BHGB ClC[C@@H](Cl)[C@@H]1CC[C@H](Cl)[C@@H](Cl)C1 104320848 QAZYDQVLTRKNST-VGRMVHKJSA-N 249.996 3.848 50 40 BHGB O=C(Cl)c1c(Cl)ccc(F)c1Cl 37594032 MCSSGGCPMLHPQW-UHFFFAOYSA-N 227.449 3.512 50 40 BHGB CCCN(CCC)c1ccc(CCl)c(C)n1 72224320 TUUJIALYYRAZMJ-UHFFFAOYSA-N 240.778 3.755 50 40 BHGB CCCCCCC/C=N\NC(=O)c1ccccc1 102096883 QGKCVWXXBFJINB-SSZFMOIBSA-N 246.354 3.763 50 40 BHGB Fc1ccc2nc(Cl)c(CCCl)cc2c1 11985633 MJCZKCODBQFSJR-UHFFFAOYSA-N 244.096 3.809 50 40 BHGB CN(C)c1ccc(/C=C(/C#N)c2ccccc2)cc1 15987658 HYAJIHDALOHMPT-VBKFSLOCSA-N 248.329 3.817 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)c(C)c1 71423503 XKYNMUVOHWWRIR-VIFPVBQESA-N 231.122 3.849 50 40 BHGB C[C@H](Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 3887307 PCWHRWYTDPAXNZ-VIFPVBQESA-N 239.746 3.550 50 40 BHGB FC(F)(F)P(Cl)C(F)(F)F 95698365 SLPNGGHOLGPULH-UHFFFAOYSA-N 204.437 3.662 50 40 BHGB Cc1ccc(C(=O)/C=C(/S)SS)cc1 104129648 ZCFMKKRHASLMSK-POHAHGRESA-N 242.390 3.527 50 40 BHGB C[C@@H](Cl)CS(F)(F)(F)(F)F 142823251 DXYKHIOOSVCFJJ-GSVOUGTGSA-N 204.591 3.912 50 40 BHGB CC(C)(CCBr)c1ccccc1 1685154 HYBMCTHMOSBLGN-UHFFFAOYSA-N 227.145 3.749 50 40 BHGB CC1=C(C=O)C[C@H]2[C@H](CCCC2(C)C)C1 2126443 YXDYSEASWHVHDK-YPMHNXCESA-N 206.329 3.738 50 40 BHGB biogenic CCc1ccc(C#CCCCCl)cc1 95632193 CMTXXGSZOMPJSO-UHFFFAOYSA-N 206.716 3.620 50 40 BHGB CCCCCCCC[S@](=O)CCCCl 95876059 WQZLBRKHBCTDOZ-CQSZACIVSA-N 238.824 3.725 50 40 BHGB Cc1oc(-c2cccc(F)c2F)nc1CCl 39320638 YWJCYUDQNYBLPP-UHFFFAOYSA-N 243.640 3.667 50 40 BHGB CC(C)C(=O)/C(C#N)=C/c1ccc2ccccc2c1 40139976 YCHQIAZJSQUZCO-MHWRWJLKSA-N 249.313 3.972 50 40 BHGB CC(C)(C)c1cccc(CBr)c1 113984337 PJQAWFRZGVFIOK-UHFFFAOYSA-N 227.145 3.879 50 40 BHGB in-vitro O=C(CCCCCl)c1ccc(F)c(F)c1 2517994 FMVULPZVWDHUBG-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB C[C@H](Cl)C(=O)c1ccccc1C(F)(F)F 238425836 ZXDUPTXRUGQKQN-LURJTMIESA-N 236.620 3.515 50 40 BHGB N#C/C=C(/Cl)c1ccc(Br)cc1 26893806 LDXSSEKZKTYYOQ-WEVVVXLNSA-N 242.503 3.552 50 40 BHGB CC[C@@H](Cl)C(=O)c1cc(Cl)ccc1C 307072072 HJURYVMXYZTGMQ-SNVBAGLBSA-N 231.122 3.849 50 40 BHGB CC(C)(C)OC(=O)N(CCCCl)C(C)(C)C 15021419 ZUROFFONOMNGRK-UHFFFAOYSA-N 249.782 3.651 50 40 BHGB ClCCCc1ccc(Br)cc1 49651080 PAFIAUVYPOZBJR-UHFFFAOYSA-N 233.536 3.621 50 40 BHGB CCc1ccccc1C#CCCCCl 95632149 LPJNVBPKDKFTOZ-UHFFFAOYSA-N 206.716 3.620 50 40 BHGB CC(C)(C)OP(=O)(Cl)OC(C)(C)C 100064574 OWXJRBHLTRSSIT-UHFFFAOYSA-N 228.656 3.964 50 40 BHGB in-vitro Fc1cccc(CCCCBr)c1 70791455 NYKGGNHGYKHBQO-UHFFFAOYSA-N 231.108 3.543 50 40 BHGB N#C/C(=C\Nc1ccc(F)cc1)c1ccsc1 100329314 IHZORWQOLOPAAY-DHZHZOJOSA-N 244.294 3.864 50 40 BHGB O=C(CCCCl)Nc1cccc2ccccc12 5705028 QRTVKDRUSPRERM-UHFFFAOYSA-N 247.725 3.797 50 40 BHGB CC[C@H](Cl)C(=O)c1ccc(Cl)s1 307047220 IOOVYNBIYQNUQB-YFKPBYRVSA-N 223.124 3.602 50 40 BHGB Cn1cccc1/C=C(/C#N)c1cccc(Cl)c1 4568953 VXDGLQCYSYPOHW-XFXZXTDPSA-N 242.709 3.743 50 40 BHGB CCO/C(C)=C(/C#N)c1ccc(Cl)cc1 17040167 JGMPKJMVSCDPMP-XFXZXTDPSA-N 221.687 3.631 50 40 BHGB Cc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1 222419895 SPGDMHGSEZAYCU-YVLHZVERSA-N 244.297 3.931 50 40 BHGB CCCn1c([C@@H](C)Cl)nc2ccccc21 36895957 WIVQPVCPJLDYPC-SECBINFHSA-N 222.719 3.746 50 40 BHGB COc1ccc2cc(CCl)ccc2c1C 72226990 QJFLWJNECNTFDF-UHFFFAOYSA-N 220.699 3.896 50 40 BHGB O=C(CCCCCl)c1cc(F)ccc1F 389455545 XPESHHMXRZMUJT-UHFFFAOYSA-N 232.657 3.557 50 40 BHGB CC(C)C(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 40139985 GJBYXHSPOIAWCB-DHDCSXOGSA-N 241.334 3.942 50 40 BHGB N#C[C@@H](Cl)c1ccccc1C(F)(F)F 45626895 CHPMZOGQSGURIQ-MRVPVSSYSA-N 219.593 3.509 50 40 BHGB O=C(Cl)c1ccc(Cc2ccccc2)cc1 83181176 BLGSETDWNUEFPJ-UHFFFAOYSA-N 230.694 3.656 50 40 BHGB in-vitro COc1ccc(/C(C#N)=C/c2ccccc2)cc1 410102 ZXIOBZCSWVNQCE-RVDMUPIBSA-N 235.286 3.759 50 40 BHGB Clc1ccc2c(c1)SS(Cl)=N2 101660989 NVPVNKVNDVNFEF-UHFFFAOYSA-N 224.137 3.948 50 40 BHGB O=[N+]([O-])c1ccc2c(c1)-c1ccccc1[C@@H]2Cl 1716263 CFOXGLWULBUSKA-ZDUSSCGKSA-N 245.665 3.903 50 40 BHGB Cc1cc(Br)cc(C)c1CCl 59171992 BLXADSLLHBDNNI-UHFFFAOYSA-N 233.536 3.805 50 40 BHGB C[C@@]1(Cl)C[C@H](Cl)[C@H](Cl)C[C@@H]1Cl 100933463 PQUFNWZWIZOKHV-JRTVQGFMSA-N 235.969 3.600 50 40 BHGB CC(C)(CCl)C(=O)c1ccc(Cl)cc1F 308806654 OUTNFKMJGSODSI-UHFFFAOYSA-N 249.112 3.927 50 40 BHGB O=C(Cl)c1ccccc1-c1cccs1 4200678 JVOVWZAGQKKACR-UHFFFAOYSA-N 222.696 3.794 50 40 BHGB in-vitro C/C(C#N)=C/c1cc(Cl)ccc1Cl 30836087 YLMPRMDCKLIHNG-DAXSKMNVSA-N 212.079 3.920 50 40 BHGB Cc1ccc(C#CCCCCl)cc1C 95633632 YUYZNDADWXFRBV-UHFFFAOYSA-N 206.716 3.674 50 40 BHGB BrCc1ccc(-c2ccccc2)cn1 34492514 ZUEAYEZMEVUQRZ-UHFFFAOYSA-N 248.123 3.644 50 40 BHGB COc1ccc([C@H](Cl)C(F)(F)F)cc1 1686414 YLITYVXPYIDNLA-QMMMGPOBSA-N 224.609 3.537 50 40 BHGB O=C(c1ccc(F)cc1)[C@@H](Cl)c1ccccc1 126985872 MFOUYNSALQZQNM-ZDUSSCGKSA-N 248.684 3.989 50 40 BHGB Cc1ccc(/C(C#N)=C/c2cccc(O)c2)cc1 216488850 ZTQHPAAVYKQMRY-OQLLNIDSSA-N 235.286 3.765 50 40 BHGB Cl[C@@H](CNC1CCCCC1)c1ccccc1 1586333 KEUWMFKUNPWWOT-AWEZNQCLSA-N 237.774 3.889 50 40 BHGB N#CC(C#N)=C/C=C\c1c(Cl)cccc1Cl 17222912 AQHXDGSVFZHQHH-RJRFIUFISA-N 249.100 3.980 50 40 BHGB CCN(CCCl)Cc1ccc2ccccc2c1 1718330 ZGSREQQCJCZRNY-UHFFFAOYSA-N 247.769 3.901 50 40 BHGB ClCc1cnc(-c2ccccc2)s1 2633213 JIOYGVBKFKVRAZ-UHFFFAOYSA-N 209.701 3.549 50 40 BHGB in-vitro O=C(Cl)c1sc2sccc2c1Cl 4289150 WCRIUIXSFXQLJK-UHFFFAOYSA-N 237.132 3.995 50 40 BHGB CCOc1ccc([C@H](C)Br)cc1 36894585 MUPZVAHHMFSQNT-QMMMGPOBSA-N 229.117 3.541 50 40 BHGB Cc1cc(C(=O)Cl)cc(C)c1OCC(C)C 95739846 ZQHXKIHBXUFIDQ-UHFFFAOYSA-N 240.730 3.717 50 40 BHGB Cc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1 17197851 MOYRFPCCRHDEJW-WJDWOHSUSA-N 247.297 3.785 50 40 BHGB ClCc1nc2cccc(Cl)c2s1 37205117 YQYCTDKXYWHZFI-UHFFFAOYSA-N 218.108 3.689 50 40 BHGB CCC(C)(C)c1ccc(/C=C(\C)C=O)cc1 40442579 VYLZDKRGDLITAA-ZRDIBKRKSA-N 216.324 3.976 50 40 BHGB C[C@H](CCBr)c1ccc(F)cc1 49781928 XDQZKYDKLQKMCT-MRVPVSSYSA-N 231.108 3.714 50 40 BHGB COc1cc(Cl)c(C)cc1CBr 199547334 DSNCHTJZQSLKED-UHFFFAOYSA-N 249.535 3.552 50 40 BHGB O=C(Cl)c1ccccc1COc1ccccc1 12370590 JEVCFPPYJUBGIO-UHFFFAOYSA-N 246.693 3.645 50 40 BHGB N#CSC(c1ccccc1)c1ccccc1 20509611 SBWAWGPWUHYFRI-UHFFFAOYSA-N 225.316 3.990 50 40 BHGB C[C@H](Cl)c1nc2c(Cl)cccc2[nH]1 37444457 LAHOFKUQAVHSGX-YFKPBYRVSA-N 215.083 3.516 50 40 BHGB Cl[C@@H]1CCC[C@@H]1P(Cl)Cl 108420967 KREVKOKRTUIRLX-UHNVWZDZSA-N 205.452 3.936 50 40 BHGB COc1cccc(-c2ccc(C(=O)Cl)cc2)c1 168955987 MZEYTKCSWNGRGE-UHFFFAOYSA-N 246.693 3.741 50 40 BHGB ClCc1cc(Cl)c(Cl)nc1Cl 39192658 DGRWKOIUYLWSEV-UHFFFAOYSA-N 230.909 3.781 50 40 BHGB CCS/C(C#N)=C/c1ccccc1Cl 1574041 SKYBZWSDMWQNSX-JXMROGBWSA-N 223.728 3.958 50 40 BHGB C[C@@H](Cl)C(=O)c1cc(Cl)cc(Cl)c1 238425395 KJBRPVZENIPRNM-RXMQYKEDSA-N 237.513 3.803 50 40 BHGB O=C(Cl)c1ccc(-c2ccsc2)cc1 12370369 UKIGBJXSLVJWCR-UHFFFAOYSA-N 222.696 3.794 50 40 BHGB CC[C@H](C)P(c1ccccc1)c1ccccc1 59717160 QWINMNANNHVXIR-AWEZNQCLSA-N 242.302 3.918 50 40 BHGB CCCCCOc1ccc(C(=O)Cl)cc1C 95739793 RXNANHDVSJBHGB-UHFFFAOYSA-N 240.730 3.943 50 40 BHGB C[C@H](Cl)c1nc(Cl)cc(C2CCC2)n1 95093983 QNMIKWNJCDEAAI-LURJTMIESA-N 231.126 3.697 50 40 BHGB CC(C)(C)c1cccc(OC(=S)Cl)c1 56804 RVFDGINAGFKENO-UHFFFAOYSA-N 228.744 3.887 50 40 BHGB Clc1cccc([C@@H]2C[C@@H]2Br)c1 242522206 ILZJZXJSCHIBEI-IUCAKERBSA-N 231.520 3.591 50 40 BHGB COc1ccc(Cl)c(C(=O)CCCCl)c1 36181717 BRXSGHXQYCGHIJ-UHFFFAOYSA-N 247.121 3.550 50 40 BHGB Cc1cc(CCl)cnc1NCc1ccccc1 72222320 HDIDWGHLTLMKHL-UHFFFAOYSA-N 246.741 3.741 50 40 BHGB Clc1ccc([C@H]2C[C@@H]2Br)cc1 242390214 AFGDANXTHKZERM-BDAKNGLRSA-N 231.520 3.591 50 40 BHGB Fc1cccc2nc(Cl)c(CCl)cc12 685937189 LTGXAXWUMZYMRZ-UHFFFAOYSA-N 230.069 3.766 50 40 BHGB CCCCCCCC[C@H]1OC[C@@H](CCl)O1 1674873 PBEQIZISCGTLQB-NEPJUHHUSA-N 234.767 3.717 50 40 BHGB C[C@@H]1CC(=O)[C@@H]2C[C@H](Cl)CC[C@]2(C)[C@@H]1C 1729862 JEZXHSUHLBZFSK-ZZBQETCWSA-N 228.763 3.645 50 40 BHGB ClC[PH](CCl)(CCl)CCl 104343165 IODLWSGASJWDDO-UHFFFAOYSA-N 229.902 3.522 50 40 BHGB Cc1ccc(CCCCBr)cc1 70791549 FCYSNQACNGYXEW-UHFFFAOYSA-N 227.145 3.713 50 40 BHGB CC(C)=C[C@@H]1[C@H](CBr)C1(C)C 1665533 OGQOSLYUJWDNEJ-BDAKNGLRSA-N 217.150 3.620 50 40 BHGB Cc1cc(C(=O)CCCCl)ccc1Cl 36179986 KDTFPAYZZJWLHM-UHFFFAOYSA-N 231.122 3.850 50 40 BHGB O=C(Cl)c1cc(Cl)cc(C(F)(F)F)c1 2527770 CPGKYJRZLOSIDS-UHFFFAOYSA-N 243.011 3.738 50 40 BHGB CCCCCCCCOC(=O)CCCl 2557601 APSFWUHAPFXKHS-UHFFFAOYSA-N 220.740 3.519 50 40 BHGB BrC[C@H]1CCCc2ccccc21 54711050 KALOJGOUZQSEGH-SNVBAGLBSA-N 225.129 3.501 50 40 BHGB in-vitro Cc1cc(F)ccc1C(=O)CCCCCl 394763195 XXHKTOWZZLSWNP-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB C[C@@H](CCBr)c1ccccc1 49780951 OWHLOGXZPKYCPV-VIFPVBQESA-N 213.118 3.575 50 40 BHGB Cc1cc(C(=O)C(C)(C)CCl)ccc1F 382704868 RRQOZRSOTGXXNP-UHFFFAOYSA-N 228.694 3.582 50 40 BHGB CC(C)(C)[Si](C)(C)Oc1ccc(N)cc1 196010640 XSVKDCVIWOKXSX-UHFFFAOYSA-N 223.392 3.653 50 40 BHGB N#C[C@H](Cl)c1ccccc1C(F)(F)F 45626896 CHPMZOGQSGURIQ-QMMMGPOBSA-N 219.593 3.509 50 40 BHGB Cc1ccsc1/C=C(\C#N)c1ccccn1 5068199 PZQAVEREYWINLL-DHZHZOJOSA-N 226.304 3.516 50 40 BHGB CCSc1ccc(C(=O)[C@@H](C)Cl)cc1 36198232 LIASILPBBYWCGI-MRVPVSSYSA-N 228.744 3.609 50 40 BHGB FC(F)Sc1ccccc1CCl 32628356 VYOHOEHOMRKHMP-UHFFFAOYSA-N 208.660 3.740 50 40 BHGB in-vitro C[C@H](CBr)Cc1ccc(Cl)cc1 82770312 KMVIYDGPTWHFEN-QMMMGPOBSA-N 247.563 3.914 50 40 BHGB N#C[C@H](Cl)c1cccc(C(F)(F)F)c1 45626868 KGEOOJNIPYMDFK-QMMMGPOBSA-N 219.593 3.509 50 40 BHGB Cl[C@H]1CC1(c1ccccc1)c1ccccc1 138171531 BEPOOZQFDKDTIK-AWEZNQCLSA-N 228.722 3.984 50 40 BHGB S=C=NCc1ccccc1-c1ccccc1 36533355 GRVOXMXDKJRDHJ-UHFFFAOYSA-N 225.316 3.956 50 40 BHGB Cc1cc(Nc2ccccc2)ncc1CCl 72223305 KWKBJEPQQRKCJL-UHFFFAOYSA-N 232.714 3.872 50 40 BHGB CC1(C)C(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C 195848776 SQNXIGVELAFLKX-LLVKDONJSA-N 240.419 3.542 50 40 BHGB O=C(Cl)C1(c2ccccc2F)CCCCC1 11886268 WEIGCLUUQWPYAA-UHFFFAOYSA-N 240.705 3.793 50 40 BHGB C[C@H](Cl)C(=O)c1cccc2ccccc12 31893227 XRCRRENQSPVZIB-VIFPVBQESA-N 218.683 3.650 50 40 BHGB O=C(CCCCl)c1ccc(Cl)s1 36161255 UCUZXTXTUIDFFH-UHFFFAOYSA-N 223.124 3.603 50 40 BHGB Cc1ccc(Cl)cc1CBr 49582127 QBPPJEQXSUCTQP-UHFFFAOYSA-N 219.509 3.543 50 40 BHGB in-vitro C/C=C(\OC(C)(C)C)O[Si](C)(C)C 195909463 OJYHIAHTMZIVKY-CMDGGOBGSA-N 202.370 3.514 50 40 BHGB in-vitro C[C@@]12CC3CC(C(=O)Cl)(C1)C[C@](C)(C3)C2 39381750 RZEJREVONLVTCU-QGVZIFMBSA-N 226.747 3.748 50 40 BHGB Cc1cccc(C(=O)C(C)(C)CCl)c1C 382689413 HPSITAZPGITYKS-UHFFFAOYSA-N 224.731 3.751 50 40 BHGB N#C/C(=C\c1ccccc1)c1cccc(F)c1 1597785 RPZQWJIITPETLX-NTEUORMPSA-N 223.250 3.890 50 40 BHGB O=C(CCl)c1cccc2cc(Cl)ccc12 1628169 RKSAVWYTXURREH-UHFFFAOYSA-N 239.101 3.915 50 40 BHGB O=C(CCCCCCl)c1cccc(F)c1 2378508 HHJGMUGCVSBWRW-UHFFFAOYSA-N 228.694 3.808 50 40 BHGB Cc1ccc2ccccc2c1CSC#N 1667597 CTKGDSSMFVAVRE-UHFFFAOYSA-N 213.305 3.863 50 40 BHGB Cc1ccccc1Nc1nc(CCl)cs1 3259348 CNFFSJCIPKONEN-UHFFFAOYSA-N 238.743 3.934 50 40 BHGB COc1ccc(S(F)(F)(F)(F)F)cc1N 97950042 WLURTVOYVCVDAC-UHFFFAOYSA-N 249.204 3.935 50 40 BHGB Cc1cc(C)cc(NC(=O)C(C)(C)CCl)c1 3104446 JQPBMXCYDXZDSM-UHFFFAOYSA-N 239.746 3.507 50 40 BHGB biogenic Cn1cccc1/C=C(\C#N)c1cccc(Cl)c1 12470077 VXDGLQCYSYPOHW-FMIVXFBMSA-N 242.709 3.743 50 40 BHGB Cc1ccc(C(=O)CCCCCl)c(F)c1 308812259 SBKLQJZQOHBVES-UHFFFAOYSA-N 228.694 3.726 50 40 BHGB FS(F)(F)(F)(F)c1ccccn1 147909676 DZXNZXKULBZCRT-UHFFFAOYSA-N 205.151 3.739 50 40 BHGB N#C/C(=C/c1ccc(O)cc1)c1cccc(F)c1 409394098 VPUIJBCGPZSOOD-JYRVWZFOSA-N 239.249 3.595 50 40 BHGB C[C@@H](Cl)C(=O)c1ccc(F)c2ccccc12 69900572 YPOMSUBUUMSVHX-MRVPVSSYSA-N 236.673 3.789 50 40 BHGB CCC[C@@H]1CCCC[C@@H]1Br 1717277 KAPCYUWEWWUIKN-BDAKNGLRSA-N 205.139 3.740 50 40 BHGB S=C=NCCc1ccc(Cl)cc1Cl 20567260 LDDSGQQPUHCKKC-UHFFFAOYSA-N 232.135 3.639 50 40 BHGB COc1ccc2ccccc2c1CCl 19800872 CGSYKRJQLUCLOR-UHFFFAOYSA-N 206.672 3.587 50 40 BHGB in-vitro CCCCn1c(CCCl)nc2ccccc21 36909376 QUKDCKKELPTMSK-UHFFFAOYSA-N 236.746 3.618 50 40 BHGB CCc1ccc(C(=O)C(C)(C)CCl)cc1 382675939 QWYZHGYYRKRLRW-UHFFFAOYSA-N 224.731 3.697 50 40 BHGB N#C/C(=C/c1ccccc1)c1cccc(F)c1 1597786 RPZQWJIITPETLX-ZROIWOOFSA-N 223.250 3.890 50 40 BHGB FCCCCCCCCBr 2034574 RTFARVWMEFHIKS-UHFFFAOYSA-N 211.118 3.691 50 40 BHGB Cc1csc(/C(C#N)=C/c2ccc(C)s2)n1 6924050 XHNSJSNXBNDNPC-BJMVGYQFSA-N 246.360 3.886 50 40 BHGB O=C(Nc1ccccc1)c1ccc(CCl)cc1 9579626 HFNFRLAPRHDADV-UHFFFAOYSA-N 245.709 3.678 50 40 BHGB ClCc1nc2cc(Cl)c(Cl)cc2[nH]1 13209826 IUNRBKGPVGKLNG-UHFFFAOYSA-N 235.501 3.609 50 40 BHGB C[C@H](Cl)C(=O)c1ccc(F)c2ccccc12 69900570 YPOMSUBUUMSVHX-QMMMGPOBSA-N 236.673 3.789 50 40 BHGB N#CC(C#N)=Cc1ccc(-c2ccccc2F)o1 876433 ZFOGKTAXDWRMSJ-UHFFFAOYSA-N 238.221 3.516 50 40 BHGB Cc1ccc2nc(/C(C#N)=C\c3ccoc3)[nH]c2c1 33655421 JPCAYKMLIHOBHR-GHXNOFRVSA-N 249.273 3.529 50 40 BHGB CC(C)CP(c1ccccc1)c1ccccc1 113522506 ZMCQDWVJSMTPJV-UHFFFAOYSA-N 242.302 3.775 50 40 BHGB CC(C)(C)C1CCC2(CC1)OC[C@@H](CCl)O2 134976660 KIXLXDKXQXRUSB-QWKFWESOSA-N 246.778 3.573 50 40 BHGB N#C[C@@H](Cl)c1ccc(Cl)cc1Cl 45626886 XGFBMMMZHWLEFO-MRVPVSSYSA-N 220.486 3.797 50 40 BHGB C=CCc1ccc(CCCBr)cc1 165121852 OPGRLYRSKVCXMO-UHFFFAOYSA-N 239.156 3.743 50 40 BHGB CCc1cc(C(=O)[C@H](C)Cl)ccc1Cl 307030081 PBUPNXMBOQWNGS-ZETCQYMHSA-N 231.122 3.712 50 40 BHGB COC(=O)CCCCSSC(C)(C)C 1626941 MCPQPQWGJPQNFQ-UHFFFAOYSA-N 236.402 3.510 50 40 BHGB Cc1ccc(/C=C(/C#N)c2ccccc2F)o1 107924944 NMXSXEACEHEXAP-FLIBITNWSA-N 227.238 3.791 50 40 BHGB CC(C)(CCl)Nc1nc2ccccc2s1 3102087 FMYIUMSUNIOMIF-UHFFFAOYSA-N 240.759 3.726 50 40 BHGB CC(C)c1ccc(NC(=O)CCCCl)cc1 5912849 QZUGHZKCPSLWPL-UHFFFAOYSA-N 239.746 3.768 50 40 BHGB Cc1ccc(C(=O)C(C)(C)CCl)c(C)c1 382698615 MNTTWIQGJXVUDX-UHFFFAOYSA-N 224.731 3.751 50 40 BHGB