{"SMILES":"C(Br)(Cl)(Cl)Cl","BP":378,"_row":"bromo-trichloro-methane"}
{"SMILES":"ClC(F)(F)F","BP":191.7,"_row":"chloro-trifluoro-methane"}
{"SMILES":"C(Cl)(Cl)(Cl)Cl","BP":349.8,"_row":"carbon tetrachloride"}
{"SMILES":"C(F)(F)(F)F","BP":145.1,"_row":"tetrafluoromethane"}
{"SMILES":"BrC(Br)Br","BP":422.3,"_row":"bromoform"}
{"SMILES":"C(Cl)(F)F","BP":232.3,"_row":"chloro-difluoro-methane"}
{"SMILES":"C(Cl)(Cl)F","BP":282,"_row":"dichloro-fluoro-methane"}
{"SMILES":"C(Cl)(Cl)Cl","BP":334.3,"_row":"chloroform"}
{"SMILES":"C(F)(F)F","BP":191,"_row":"fluoroform"}
{"SMILES":"C(Br)Br","BP":370.1,"_row":"dibromomethane"}
{"SMILES":"C(Cl)Cl","BP":312.9,"_row":"dichloromethane"}
{"SMILES":"C(F)F","BP":221.5,"_row":"difluoromethane"}
{"SMILES":"C(I)I","BP":455.2,"_row":"diiodomethane"}
{"SMILES":"O=C","BP":254,"_row":"formaldehyde"}
{"SMILES":"C(=O)O","BP":373.7,"_row":"formic acid"}
{"SMILES":"CBr","BP":276.7,"_row":"bromomethane"}
{"SMILES":"CCl","BP":248.9,"_row":"chloromethane"}
{"SMILES":"CF","BP":194.8,"_row":"fluoromethane"}
{"SMILES":"CI","BP":315.6,"_row":"iodomethane"}
{"SMILES":"CO","BP":337.8,"_row":"methanol"}
{"SMILES":"CS","BP":279.1,"_row":"methanethiol"}
{"SMILES":"C(C(F)(F)F)(Cl)(Cl)F","BP":276.2,"_row":"1,1-dichloro-1,2,2,2-tetrafluoro-ethane"}
{"SMILES":"C(C(F)(F)F)(F)(F)F","BP":194.9,"_row":"1,1,1,2,2,2-hexafluoroethane"}
{"SMILES":"C(C(Cl)Cl)(F)(F)F","BP":301,"_row":"2,2-dichloro-1,1,1-trifluoro-ethane"}
{"SMILES":"C(=C(Cl)Cl)Cl","BP":360.1,"_row":"1,1,2-trichloroethylene"}
{"SMILES":"C(C=O)(Cl)(Cl)Cl","BP":370.8,"_row":"2,2,2-trichloroacetaldehyde"}
{"SMILES":"C(C(Cl)(Cl)Cl)(Cl)Cl","BP":433,"_row":"1,1,1,2,2-pentachloroethane"}
{"SMILES":"C(C(F)(F)F)(F)F","BP":225.1,"_row":"1,1,1,2,2-pentafluoroethane"}
{"SMILES":"C(C(Br)Br)(Br)Br","BP":516.7,"_row":"1,1,2,2-tetrabromoethane"}
{"SMILES":"C(CCl)(Cl)(Cl)Cl","BP":403.7,"_row":"1,1,1,2-tetrachloroethane"}
{"SMILES":"C(C(Cl)Cl)(Cl)Cl","BP":418.3,"_row":"1,1,2,2-tetrachloroethane"}
{"SMILES":"C=C(F)F","BP":187.5,"_row":"1,1-difluoroethylene"}
{"SMILES":"C(C(F)F)(F)F","BP":250.1,"_row":"1,1,2,2-tetrafluoroethane"}
{"SMILES":"C=CBr","BP":288.9,"_row":"bromoethylene"}
{"SMILES":"CC(=O)Cl","BP":323.9,"_row":"acetyl chloride"}
{"SMILES":"CC(Cl)(Cl)Cl","BP":347.2,"_row":"1,1,1-trichloroethane"}
{"SMILES":"C(CCl)(Cl)Cl","BP":387,"_row":"1,1,2-trichloroethane"}
{"SMILES":"C=CF","BP":200.9,"_row":"fluoroethylene"}
{"SMILES":"CC(F)(F)F","BP":225.8,"_row":"1,1,1-trifluoroethane"}
{"SMILES":"CC(Br)Br","BP":381.1,"_row":"1,1-dibromoethane"}
{"SMILES":"C(CBr)Br","BP":404.5,"_row":"1,2-dibromoethane"}
{"SMILES":"C(C)(Cl)Cl","BP":330.4,"_row":"1,1-dichloroethane"}
{"SMILES":"C(CCl)Cl","BP":356.6,"_row":"1,2-dichloroethane"}
{"SMILES":"CC(F)F","BP":247.4,"_row":"1,1-difluoroethane"}
{"SMILES":"C(CF)F","BP":283.6,"_row":"1,2-difluoroethane"}
{"SMILES":"CC(=O)O","BP":391.1,"_row":"acetic acid"}
{"SMILES":"COC=O","BP":304.9,"_row":"formic acid methyl ester"}
{"SMILES":"CCBr","BP":311.5,"_row":"bromoethane"}
{"SMILES":"CCCl","BP":285.4,"_row":"chloroethane"}
{"SMILES":"CCF","BP":235.4,"_row":"fluoroethane"}
{"SMILES":"CCI","BP":345.4,"_row":"iodoethane"}
{"SMILES":"COC","BP":248.3,"_row":"methoxymethane"}
{"SMILES":"CCO","BP":351.4,"_row":"ethanol"}
{"SMILES":"OCCO","BP":470.5,"_row":"ethylene glycol"}
{"SMILES":"CSC","BP":310.5,"_row":"(methylthio)methane"}
{"SMILES":"CCS","BP":308.2,"_row":"ethanethiol"}
{"SMILES":"CSSC","BP":382.9,"_row":"methyldisulfanylmethane"}
{"SMILES":"SCCS","BP":419.2,"_row":"ethane-1,2-dithiol"}
{"SMILES":"CC(=C)Cl","BP":295.8,"_row":"2-chloroprop-1-ene"}
{"SMILES":"C(C(CCl)Cl)Cl","BP":430,"_row":"1,2,3-trichloropropane"}
{"SMILES":"C(C(C)Cl)Cl","BP":369.5,"_row":"(2R)-1,2-dichloropropane"}
{"SMILES":"CC(=O)C","BP":329.4,"_row":"acetone"}
{"SMILES":"CCC=O","BP":321.1,"_row":"propionaldehyde"}
{"SMILES":"CC1CO1","BP":307.6,"_row":"(2R)-2-methyloxirane"}
{"SMILES":"CCOC=O","BP":327.5,"_row":"formic acid ethyl ester"}
{"SMILES":"CC(=O)OC","BP":330.1,"_row":"acetic acid methyl ester"}
{"SMILES":"CCC(=O)O","BP":414.3,"_row":"propionic acid"}
{"SMILES":"C(CC)Br","BP":344.1,"_row":"1-bromopropane"}
{"SMILES":"CC(C)Cl","BP":308.8,"_row":"2-chloropropane"}
{"SMILES":"CCCCl","BP":319.7,"_row":"1-chloropropane"}
{"SMILES":"CC(C)I","BP":362.6,"_row":"2-iodopropane"}
{"SMILES":"CCCI","BP":375.6,"_row":"1-iodopropane"}
{"SMILES":"CC(C)O","BP":355.4,"_row":"propan-2-ol"}
{"SMILES":"CCOC","BP":280.5,"_row":"methoxyethane"}
{"SMILES":"CCCO","BP":370.4,"_row":"propan-1-ol"}
{"SMILES":"CC(O)CO","BP":460.8,"_row":"(2R)-propane-1,2-diol"}
{"SMILES":"C(CCO)O","BP":487.6,"_row":"propane-1,3-diol"}
{"SMILES":"CC(C)S","BP":325.7,"_row":"propane-2-thiol"}
{"SMILES":"CCCS","BP":340.9,"_row":"propane-1-thiol"}
{"SMILES":"c1ccco1","BP":304.5,"_row":"furan"}
{"SMILES":"c1cccs1","BP":357.3,"_row":"thiophene"}
{"SMILES":"C1C=CCO1","BP":339,"_row":"2,5-dihydrofuran"}
{"SMILES":"CC(=C)C(=O)O","BP":434.2,"_row":"methacrylic acid"}
{"SMILES":"C(C(CC)Cl)Cl","BP":397.1,"_row":"(2R)-1,2-dichlorobutane"}
{"SMILES":"CC(C(C)Cl)Cl","BP":392.6,"_row":"(2S,3R)-2,3-dichlorobutane"}
{"SMILES":"C(=O)CCC","BP":348,"_row":"butyraldehyde"}
{"SMILES":"CCC(=O)C","BP":352.8,"_row":"butan-2-one"}
{"SMILES":"CC(C)C=O","BP":337.3,"_row":"2-methylpropionaldehyde"}
{"SMILES":"O1CCCC1","BP":339.1,"_row":"tetrahydrofuran"}
{"SMILES":"CCCC(=O)O","BP":436.4,"_row":"butyric acid"}
{"SMILES":"CCOC(=O)C","BP":350.2,"_row":"acetic acid ethyl ester"}
{"SMILES":"CC(C)C(=O)O","BP":427.7,"_row":"isobutyric acid"}
{"SMILES":"COC(=O)CC","BP":352.6,"_row":"propionic acid methyl ester"}
{"SMILES":"CCCOC=O","BP":354,"_row":"formic acid propyl ester"}
{"SMILES":"S1CCCC1","BP":394.3,"_row":"tetrahydrothiophene"}
{"SMILES":"C(CCC)Br","BP":374.8,"_row":"1-bromobutane"}
{"SMILES":"CC(CC)Br","BP":364.4,"_row":"(2S)-2-bromobutane"}
{"SMILES":"CCCCCl","BP":351.6,"_row":"1-chlorobutane"}
{"SMILES":"CC(CC)Cl","BP":341.3,"_row":"(2S)-2-chlorobutane"}
{"SMILES":"CC(C)(C)Cl","BP":323.8,"_row":"2-chloro-2-methyl-propane"}
{"SMILES":"CC(C)CCl","BP":342,"_row":"1-chloro-2-methyl-propane"}
{"SMILES":"CCCCO","BP":390.8,"_row":"butan-1-ol"}
{"SMILES":"CC(CC)O","BP":372.7,"_row":"(2S)-butan-2-ol"}
{"SMILES":"CCOCC","BP":307.6,"_row":"ethoxyethane"}
{"SMILES":"C(C(C)C)O","BP":380.8,"_row":"2-methylpropan-1-ol"}
{"SMILES":"CC(C)(C)O","BP":355.6,"_row":"2-methylpropan-2-ol"}
{"SMILES":"CCCOC","BP":312.2,"_row":"1-methoxypropane"}
{"SMILES":"OCCC(C)O","BP":480.2,"_row":"(3R)-butane-1,3-diol"}
{"SMILES":"OCCCCO","BP":501.2,"_row":"butane-1,4-diol"}
{"SMILES":"CC(O)C(O)C","BP":453.9,"_row":"(2R,3S)-butane-2,3-diol"}
{"SMILES":"C(C(CO)C)O","BP":487.2,"_row":"2-methylpropane-1,3-diol"}
{"SMILES":"CCCCS","BP":371.6,"_row":"butane-1-thiol"}
{"SMILES":"CCC(S)C","BP":358.1,"_row":"(2S)-butane-2-thiol"}
{"SMILES":"CC(C)(C)S","BP":337.4,"_row":"2-methylpropane-2-thiol"}
{"SMILES":"CC(C)CS","BP":361.6,"_row":"2-methylpropane-1-thiol"}
{"SMILES":"CSCCC","BP":368.7,"_row":"1-(methylthio)propane"}
{"SMILES":"c1cc(sc1)C","BP":385.7,"_row":"2-methylthiophene"}
{"SMILES":"CC(C)C(=O)C","BP":367.5,"_row":"3-methylbutan-2-one"}
{"SMILES":"CCCCC=O","BP":376.1,"_row":"valeraldehyde"}
{"SMILES":"CCCC(=O)C","BP":375.5,"_row":"pentan-2-one"}
{"SMILES":"CCC(=O)CC","BP":375.1,"_row":"pentan-3-one"}
{"SMILES":"CCCCOC=O","BP":379.3,"_row":"formic acid butyl ester"}
{"SMILES":"CC(CC)OC=O","BP":366.5,"_row":"formic acid sec-butyl ester"}
{"SMILES":"CC(C)(C)OC=O","BP":356,"_row":"formic acid tert-butyl ester"}
{"SMILES":"CCOC(=O)CC","BP":372.3,"_row":"propionic acid ethyl ester"}
{"SMILES":"CC(C)COC=O","BP":371.2,"_row":"formic acid isobutyl ester"}
{"SMILES":"CC(=O)OC(C)C","BP":361.6,"_row":"acetic acid isopropyl ester"}
{"SMILES":"CCCC(=O)OC","BP":375.9,"_row":"butyric acid methyl ester"}
{"SMILES":"CC(C)CC(=O)O","BP":448.3,"_row":"3-methylbutyric acid"}
{"SMILES":"CC(C)(C)C(=O)O","BP":437,"_row":"2,2-dimethylpropionic acid"}
{"SMILES":"CCCCC(=O)O","BP":458.9,"_row":"valeric acid"}
{"SMILES":"CCCOC(=O)C","BP":374.6,"_row":"acetic acid propyl ester"}
{"SMILES":"CCCCCCl","BP":381.5,"_row":"1-chloropentane"}
{"SMILES":"C(C(C)(C)C)O","BP":386.3,"_row":"2,2-dimethylpropan-1-ol"}
{"SMILES":"CCOC(C)C","BP":326.1,"_row":"2-ethoxypropane"}
{"SMILES":"CCOCCC","BP":337,"_row":"1-ethoxypropane"}
{"SMILES":"C(C(CC)C)O","BP":401.9,"_row":"(2R)-2-methylbutan-1-ol"}
{"SMILES":"CC(CC)(C)O","BP":375.1,"_row":"2-methylbutan-2-ol"}
{"SMILES":"C(CC(C)C)O","BP":404.4,"_row":"3-methylbutan-1-ol"}
{"SMILES":"CC(C(C)C)O","BP":384.6,"_row":"(2S)-3-methylbutan-2-ol"}
{"SMILES":"CCCCOC","BP":343.4,"_row":"1-methoxybutane"}
{"SMILES":"CCC(C)OC","BP":332.1,"_row":"(2R)-2-methoxybutane"}
{"SMILES":"CC(C)(C)OC","BP":328.4,"_row":"2-methoxy-2-methyl-propane"}
{"SMILES":"C(CCCC)O","BP":410.9,"_row":"pentan-1-ol"}
{"SMILES":"CC(CCC)O","BP":392.1,"_row":"(2S)-pentan-2-ol"}
{"SMILES":"CCC(CC)O","BP":388.4,"_row":"pentan-3-ol"}
{"SMILES":"OCCCCCO","BP":512.2,"_row":"pentane-1,5-diol"}
{"SMILES":"CSCCCC","BP":396.6,"_row":"1-(methylthio)butane"}
{"SMILES":"CSC(C)(C)C","BP":372,"_row":"2-methyl-2-(methylthio)propane"}
{"SMILES":"CCCCCS","BP":399.8,"_row":"pentane-1-thiol"}
{"SMILES":"c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl","BP":582.6,"_row":"1,2,3,4,5,6-hexachlorobenzene"}
{"SMILES":"c1(c(c(c(c(c1F)F)F)F)F)F","BP":353.4,"_row":"1,2,3,4,5,6-hexafluorobenzene"}
{"SMILES":"c1cc(c(cc1Cl)Cl)Cl","BP":486.2,"_row":"1,2,4-trichlorobenzene"}
{"SMILES":"c1c(cccc1Cl)Cl","BP":446.2,"_row":"1,3-dichlorobenzene"}
{"SMILES":"c1(ccccc1Cl)Cl","BP":453.6,"_row":"1,2-dichlorobenzene"}
{"SMILES":"c1(ccc(cc1)Cl)Cl","BP":447.2,"_row":"1,4-dichlorobenzene"}
{"SMILES":"c1ccc(cc1O)Cl","BP":487,"_row":"3-chlorophenol"}
{"SMILES":"c1cccc(c1O)Cl","BP":447.5,"_row":"2-chlorophenol"}
{"SMILES":"c1cc(ccc1O)Cl","BP":493.1,"_row":"4-chlorophenol"}
{"SMILES":"c1(ccccc1)O","BP":455,"_row":"phenol"}
{"SMILES":"c1(ccccc1O)O","BP":518.7,"_row":"pyrocatechol"}
{"SMILES":"c1(cccc(c1)O)O","BP":549.7,"_row":"resorcinol"}
{"SMILES":"c1cc(ccc1O)O","BP":558.2,"_row":"hydroquinone"}
{"SMILES":"C1CCC(=O)CC1","BP":428.9,"_row":"cyclohexanone"}
{"SMILES":"CC(=O)CC(=O)OCC","BP":454,"_row":"3-ketobutyric acid ethyl ester"}
{"SMILES":"CCOC(=O)C(=O)OCC","BP":458.9,"_row":"oxalic acid diethyl ester"}
{"SMILES":"C1CCC(CC1)O","BP":434,"_row":"cyclohexanol"}
{"SMILES":"CC(=O)C(C)(C)C","BP":379.4,"_row":"pinacolone"}
{"SMILES":"CC(C)C(=O)CC","BP":386.5,"_row":"2-methylpentan-3-one"}
{"SMILES":"CCCCCC=O","BP":401.5,"_row":"hexanal"}
{"SMILES":"CC(=O)CCCC","BP":400.9,"_row":"hexan-2-one"}
{"SMILES":"CCC(=O)CCC","BP":396.6,"_row":"hexan-3-one"}
{"SMILES":"CC(=O)CC(C)C","BP":389.6,"_row":"4-methylpentan-2-one"}
{"SMILES":"CC(=O)C(C)CC","BP":390.6,"_row":"(3S)-3-methylpentan-2-one"}
{"SMILES":"CC(=O)OCCCC","BP":399.1,"_row":"acetic acid butyl ester"}
{"SMILES":"CC(=O)OC(C)CC","BP":385.1,"_row":"acetic acid sec-butyl ester"}
{"SMILES":"CC(=O)OC(C)(C)C","BP":369.1,"_row":"acetic acid tert-butyl ester"}
{"SMILES":"CCCC(=O)OCC","BP":394.6,"_row":"butyric acid ethyl ester"}
{"SMILES":"CCC(CC)C(=O)O","BP":466.9,"_row":"2-ethylbutyric acid"}
{"SMILES":"CCOC(=O)C(C)C","BP":383,"_row":"2-methylpropionic acid ethyl ester"}
{"SMILES":"CCCCCC(=O)O","BP":478.8,"_row":"hexanoic acid"}
{"SMILES":"CC(=O)OCC(C)C","BP":389.8,"_row":"acetic acid isobutyl ester"}
{"SMILES":"CCCCCOC=O","BP":405.5,"_row":"formic acid amyl ester"}
{"SMILES":"CCCOC(=O)CC","BP":395.6,"_row":"propionic acid propyl ester"}
{"SMILES":"CCOCCCC","BP":365.3,"_row":"1-ethoxybutane"}
{"SMILES":"CCOC(C)(C)C","BP":346,"_row":"2-ethoxy-2-methyl-propane"}
{"SMILES":"CC(C)OC(C)C","BP":341.5,"_row":"2-isopropoxypropane"}
{"SMILES":"CCC(CC)CO","BP":419.7,"_row":"2-ethylbutan-1-ol"}
{"SMILES":"CCCCCCO","BP":430.6,"_row":"hexan-1-ol"}
{"SMILES":"CC(CCCC)O","BP":413,"_row":"(2S)-hexan-2-ol"}
{"SMILES":"C(C(CCC)C)O","BP":421.2,"_row":"(2R)-2-methylpentan-1-ol"}
{"SMILES":"CC(CC(C)C)O","BP":404.9,"_row":"(2S)-4-methylpentan-2-ol"}
{"SMILES":"CCCCCOC","BP":372,"_row":"1-methoxypentane"}
{"SMILES":"OCCCCCCO","BP":516.2,"_row":"hexane-1,6-diol"}
{"SMILES":"CC(CC(C)O)(C)O","BP":470.6,"_row":"(4R)-2-methylpentane-2,4-diol"}
{"SMILES":"CCCSCCC","BP":416,"_row":"1-(propylthio)propane"}
{"SMILES":"CCSC(C)(C)C","BP":393.6,"_row":"2-(ethylthio)-2-methyl-propane"}
{"SMILES":"CCCCCCS","BP":425.8,"_row":"hexane-1-thiol"}
{"SMILES":"CCCSSCCC","BP":469,"_row":"1-propyldisulfanylpropane"}
{"SMILES":"c1ccccc1C(Cl)(Cl)Cl","BP":486.7,"_row":"trichloromethylbenzene"}
{"SMILES":"c1(ccccc1)C(Cl)Cl","BP":487,"_row":"dichloromethylbenzene"}
{"SMILES":"c1ccccc1C(=O)O","BP":522.4,"_row":"benzoic acid"}
{"SMILES":"c1cc(ccc1O)C=O","BP":583.2,"_row":"4-hydroxybenzaldehyde"}
{"SMILES":"c1(ccccc1O)C=O","BP":469.7,"_row":"2-hydroxybenzaldehyde"}
{"SMILES":"c1ccccc1CCl","BP":452.6,"_row":"chloromethylbenzene"}
{"SMILES":"c1(ccccc1)CO","BP":477.9,"_row":"phenylmethanol"}
{"SMILES":"c1ccc(cc1O)C","BP":475.4,"_row":"m-cresol"}
{"SMILES":"c1cccc(c1O)C","BP":464.2,"_row":"o-cresol"}
{"SMILES":"c1cc(ccc1O)C","BP":475.1,"_row":"p-cresol"}
{"SMILES":"CCOC(=O)CC(=O)OCC","BP":472,"_row":"malonic acid diethyl ester"}
{"SMILES":"CC(C)C(=O)C(C)C","BP":397.6,"_row":"2,4-dimethylpentan-3-one"}
{"SMILES":"CCCCCCC=O","BP":426,"_row":"enanthaldehyde"}
{"SMILES":"CC(=O)CCCCC","BP":424,"_row":"heptan-2-one"}
{"SMILES":"CCCC(=O)CCC","BP":417.2,"_row":"heptan-4-one"}
{"SMILES":"C1(CCCCC1)(C)O","BP":441.2,"_row":"1-methylcyclohexan-1-ol"}
{"SMILES":"CC(=O)CCC(C)C","BP":418,"_row":"5-methylhexan-2-one"}
{"SMILES":"CCCCOC(=O)CC","BP":419.8,"_row":"propionic acid butyl ester"}
{"SMILES":"CC(C)CC(=O)OCC","BP":407.5,"_row":"3-methylbutyric acid ethyl ester"}
{"SMILES":"CCCCCCC(=O)O","BP":496.2,"_row":"enanthic acid"}
{"SMILES":"CCCCCCOC=O","BP":428.6,"_row":"formic acid hexyl ester"}
{"SMILES":"CCCC(=O)OCCC","BP":416.5,"_row":"butyric acid propyl ester"}
{"SMILES":"CCCCCCCO","BP":449.5,"_row":"heptan-1-ol"}
{"SMILES":"CC(CCCCC)O","BP":432.4,"_row":"(2S)-heptan-2-ol"}
{"SMILES":"C(CCCC(C)C)O","BP":445.2,"_row":"5-methylhexan-1-ol"}
{"SMILES":"CCCCCCCS","BP":450.1,"_row":"heptane-1-thiol"}
{"SMILES":"c1cc(c(cc1C=O)OC)O","BP":558,"_row":"4-hydroxy-3-methoxy-benzaldehyde"}
{"SMILES":"c1cc(ccc1CC)O","BP":491.1,"_row":"4-ethylphenol"}
{"SMILES":"c1(c(cccc1C)O)C","BP":490.1,"_row":"2,3-xylenol"}
{"SMILES":"c1cc(cc(c1O)C)C","BP":484.1,"_row":"2,4-xylenol"}
{"SMILES":"c1c(ccc(c1O)C)C","BP":484.3,"_row":"2,5-xylenol"}
{"SMILES":"c1c(c(c(cc1)C)O)C","BP":474.2,"_row":"2,6-xylenol"}
{"SMILES":"c1(cc(ccc1C)O)C","BP":500.2,"_row":"3,4-xylenol"}
{"SMILES":"c1c(cc(cc1O)C)C","BP":494.9,"_row":"3,5-xylenol"}
{"SMILES":"CCOC(=O)C=CC(=O)OCC","BP":498.2,"_row":"(Z)-but-2-enedioic acid diethyl ester"}
{"SMILES":"CCCCCCCC=O","BP":447.2,"_row":"caprylaldehyde"}
{"SMILES":"CCCCCCC(=O)C","BP":445.8,"_row":"octan-2-one"}
{"SMILES":"CCCCOC(=O)CCC","BP":438.2,"_row":"butyric acid butyl ester"}
{"SMILES":"CCCCCCCOC=O","BP":451.3,"_row":"formic acid heptyl ester"}
{"SMILES":"CCCCCCOC(=O)C","BP":444.7,"_row":"acetic acid hexyl ester"}
{"SMILES":"CC(C)COC(=O)C(C)C","BP":420.6,"_row":"2-methylpropionic acid isobutyl ester"}
{"SMILES":"CCC(C)OC(C)CC","BP":394.2,"_row":"(2R)-2-sec-butoxybutane"}
{"SMILES":"C(C(CCCC)CC)O","BP":457.8,"_row":"(2R)-2-ethylhexan-1-ol"}
{"SMILES":"C(CCCCCCC)O","BP":468.3,"_row":"octan-1-ol"}
{"SMILES":"CC(CCCCCC)O","BP":453,"_row":"(2S)-octan-2-ol"}
{"SMILES":"CCCCCCCCS","BP":472.2,"_row":"octane-1-thiol"}
{"SMILES":"c1(ccccc1)C(=O)OCC","BP":486.6,"_row":"benzoic acid ethyl ester"}
{"SMILES":"c1cccc(c1)COCC","BP":458.1,"_row":"ethoxymethylbenzene"}
{"SMILES":"C1(CC(=O)C=C(C1)C)(C)C","BP":488.4,"_row":"3,5,5-trimethylcyclohex-2-en-1-one"}
{"SMILES":"CC(C)CC(=O)CC(C)C","BP":441.4,"_row":"2,6-dimethylheptan-4-one"}
{"SMILES":"CCCCCCCC(=O)C","BP":467.5,"_row":"nonan-2-one"}
{"SMILES":"CCCCC(=O)CCCC","BP":461.6,"_row":"nonan-5-one"}
{"SMILES":"CCCCCCCOC(=O)C","BP":465.6,"_row":"acetic acid heptyl ester"}
{"SMILES":"CCCCCCCCC(=O)O","BP":528.8,"_row":"pelargonic acid"}
{"SMILES":"CCCCCCCCOC=O","BP":472,"_row":"formic acid octyl ester"}
{"SMILES":"CC(C)CC(CC(C)C)O","BP":451,"_row":"2,6-dimethylheptan-4-ol"}
{"SMILES":"CCCCCCCCCO","BP":486.3,"_row":"nonan-1-ol"}
{"SMILES":"CCCCCCCC(C)O","BP":471.7,"_row":"(2R)-nonan-2-ol"}
{"SMILES":"CCCCCCCCCS","BP":493,"_row":"nonane-1-thiol"}
{"SMILES":"c1cccc(c1C(=O)OC)C(=O)OC","BP":556.8,"_row":"benzene-1,2-dicarboxylic acid dimethyl ester"}
{"SMILES":"CC=Cc1ccc(cc1)OC","BP":508.5,"_row":"anethole"}
{"SMILES":"c1(ccc(cc1)C(C)(C)C)O","BP":512.9,"_row":"4-tert-butylphenol"}
{"SMILES":"CCCCCCCCCC(=O)O","BP":543.2,"_row":"capric acid"}
{"SMILES":"CC(C)CCOC(=O)CC(C)C","BP":467.2,"_row":"3-methylbutyric acid isoamyl ester"}
{"SMILES":"CCCCCCCCOC(=O)C","BP":484.5,"_row":"acetic acid octyl ester"}
{"SMILES":"CCCCCCCCCCO","BP":504.1,"_row":"decan-1-ol"}
{"SMILES":"CCCCCCCCCCS","BP":512.3,"_row":"decane-1-thiol"}
{"SMILES":"C=CC(=O)OCC(CCCC)CC","BP":489.2,"_row":"acrylic acid [(2R)-2-ethylhexyl] ester"}
{"SMILES":"CCCCCCCCCCC(=O)O","BP":557.4,"_row":"undecanoic acid"}
{"SMILES":"CCCCCCCCCC(=O)OC","BP":505,"_row":"capric acid methyl ester"}
{"SMILES":"CCCCCCCCCCCO","BP":518.2,"_row":"undecan-1-ol"}
{"SMILES":"c1cccc(c1C(=O)OCC)C(=O)OCC","BP":567.2,"_row":"benzene-1,2-dicarboxylic acid diethyl ester"}
{"SMILES":"CCCCCCCCCCOC(=O)C","BP":517.2,"_row":"acetic acid decyl ester"}
{"SMILES":"CCCCCCCCCCCC(=O)O","BP":571.9,"_row":"lauric acid"}
{"SMILES":"CCCCCCOCCCCCC","BP":498.9,"_row":"1-hexoxyhexane"}
{"SMILES":"CCCCCCCCCCCCC(=O)O","BP":585.3,"_row":"tridecanoic acid"}
{"SMILES":"c1cccc2c1C(=O)c3c(cccc3)C2=O","BP":653.1,"_row":"9,10-anthraquinone"}
{"SMILES":"c1cc(ccc1C(C)(C)CC(C)(C)C)O","BP":563.6,"_row":"4-(1,1,3,3-tetramethylbutyl)phenol"}