{"X":5,"PREFERRED_NAME":"1,1-Dichloroethylene","DTXSID":"DTXSID8021438","CASRN":"75-35-4","AVERAGE_MASS":96.94,"QSAR_READY_SMILES":"ClC(Cl)=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0042,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.598,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.15876,"VAPOR_PRESSURE_MMHG_OPERA_PRED":281.384,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.04071,"VMAX":21.62862,"VMAX_U":"umol/h/kg BW","KM":1.03157,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.42795,"HENRYS_LAW_DIMENSIONLESS":36.03974,"LOG_HENRYS_LAW_DIMENSIONLESS":1.55678,"CALC_PBA":0,"EXP_PBA":3,"CALC_CLINT":123.49021,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":6,"PREFERRED_NAME":"1,1,1-Trichloroethane","DTXSID":"DTXSID0021381","CASRN":"71-55-6","AVERAGE_MASS":133.4,"QSAR_READY_SMILES":"CC(Cl)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00624,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.79425,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.43114,"VAPOR_PRESSURE_MMHG_OPERA_PRED":74.7569,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01395,"EXPOS_AVAIL":"Y","OSHA_PEL":1900,"max.value":1900,"VMAX":0.88016,"VMAX_U":"umol/h/kg BW","KM":43.10345,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.66584,"HENRYS_LAW_DIMENSIONLESS":38.45211,"LOG_HENRYS_LAW_DIMENSIONLESS":1.58492,"CALC_PBA":0,"EXP_PBA":4.35,"CALC_CLINT":0.12027,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":8,"PREFERRED_NAME":"1,1,1,2-Tetrafluoroethane","DTXSID":"DTXSID1021324","CASRN":"811-97-2","AVERAGE_MASS":102.032,"QSAR_READY_SMILES":"FCC(F)(F)F","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.04846,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":0.03641,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.82727,"VAPOR_PRESSURE_MMHG_OPERA_PRED":3002.85,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00123,"VMAX":0.08401,"VMAX_U":"umol/h/kg BW","KM":4.90042,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.85722,"HENRYS_LAW_DIMENSIONLESS":13401.76912,"LOG_HENRYS_LAW_DIMENSIONLESS":4.12716,"CALC_PBA":0,"EXP_PBA":0.23,"CALC_CLINT":0.10097,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":9,"PREFERRED_NAME":"1,1,2-Trichloro-1,2,2-trifluoroethane","DTXSID":"DTXSID6021377","CASRN":"76-13-1","AVERAGE_MASS":187.37,"QSAR_READY_SMILES":"FC(F)(Cl)C(F)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0828,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.81869,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.96667,"VAPOR_PRESSURE_MMHG_OPERA_PRED":544.329,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00101,"EXPOS_AVAIL":"Y","OSHA_PEL":7600,"max.value":7600,"VMAX":0.22873,"VMAX_U":"umol/h/kg BW","KM":5.33703,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.36223,"HENRYS_LAW_DIMENSIONLESS":5425.52286,"LOG_HENRYS_LAW_DIMENSIONLESS":3.73444,"CALC_PBA":0,"EXP_PBA":0.41,"CALC_CLINT":0.25242,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":15,"PREFERRED_NAME":"1,2-Dichloroethane","DTXSID":"DTXSID6020438","CASRN":"107-06-2","AVERAGE_MASS":98.95,"QSAR_READY_SMILES":"ClCCCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00174,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.81117,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.63304,"VAPOR_PRESSURE_MMHG_OPERA_PRED":99.2649,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.06893,"VMAX":9.15377,"VMAX_U":"umol/h/kg BW","KM":2.52653,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.61668,"HENRYS_LAW_DIMENSIONLESS":7.66385,"LOG_HENRYS_LAW_DIMENSIONLESS":0.88445,"CALC_PBA":0,"EXP_PBA":19.5,"CALC_CLINT":21.33911,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":16,"PREFERRED_NAME":"1,2-Dichloropropane","DTXSID":"DTXSID0020448","CASRN":"78-87-5","AVERAGE_MASS":112.98,"QSAR_READY_SMILES":"CC(Cl)CCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00154,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.28766,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.99428,"VAPOR_PRESSURE_MMHG_OPERA_PRED":51.4861,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01865,"EXPOS_AVAIL":"Y","OSHA_PEL":350,"max.value":350,"VMAX":49.61385,"VMAX_U":"umol/h/kg BW","KM":5.11,"KM_U":"uM","SOURCE_MET":"14709629","SPECIES":"Human","CALC_FUP":0.54408,"HENRYS_LAW_DIMENSIONLESS":16.77734,"LOG_HENRYS_LAW_DIMENSIONLESS":1.22472,"CALC_PBA":0,"EXP_PBA":18.7,"CALC_CLINT":57.18508,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":19,"PREFERRED_NAME":"1,2,4-Trimethylbenzene","DTXSID":"DTXSID6021402","CASRN":"95-63-6","AVERAGE_MASS":120.195,"QSAR_READY_SMILES":"CC1=CC(C)=C(C)C=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00706,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.53533,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.61895,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1.79709,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.0005,"VMAX":20.57143,"VMAX_U":"umol/h/kg BW","KM":13,"KM_U":"uM","SOURCE_MET":"10079206","SPECIES":"Human","CALC_FUP":0.15559,"HENRYS_LAW_DIMENSIONLESS":23.00972,"LOG_HENRYS_LAW_DIMENSIONLESS":1.36191,"CALC_PBA":0,"EXP_PBA":59,"CALC_CLINT":9.32013,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":20,"PREFERRED_NAME":"1,3-Butadiene","DTXSID":"DTXSID3020203","CASRN":"106-99-0","AVERAGE_MASS":54.092,"QSAR_READY_SMILES":"C=CC=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0679,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.0021,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.92122,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1096.85,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.018,"VMAX":1582.092,"VMAX_U":"umol/h/kg BW","KM":390,"KM_U":"uM","SOURCE_MET":"20122977","SPECIES":"Human","CALC_FUP":0.50273,"HENRYS_LAW_DIMENSIONLESS":177.26956,"LOG_HENRYS_LAW_DIMENSIONLESS":2.24863,"CALC_PBA":0,"EXP_PBA":1.553,"CALC_CLINT":23.89284,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Other"}
{"X":22,"PREFERRED_NAME":"1,4-Dioxane","DTXSID":"DTXSID4020533","CASRN":"123-91-1","AVERAGE_MASS":88.106,"QSAR_READY_SMILES":"C1COCCO1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00002,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.27083,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.15666,"VAPOR_PRESSURE_MMHG_OPERA_PRED":42.0492,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":11.1801,"EXPOS_AVAIL":"Y","OSHA_PEL":360,"max.value":360,"VMAX":20.14832,"VMAX_U":"umol/h/kg BW","KM":34.04989,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.93976,"HENRYS_LAW_DIMENSIONLESS":0.01782,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.74905,"CALC_PBA":0,"EXP_PBA":3650,"CALC_CLINT":3.48517,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":23,"PREFERRED_NAME":"2-Butoxyethanol","DTXSID":"DTXSID1024097","CASRN":"111-76-2","AVERAGE_MASS":118.176,"QSAR_READY_SMILES":"CCCCOCCO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":1.09e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.89916,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.66142,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1.11338,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":4.66062,"EXPOS_AVAIL":"Y","OSHA_PEL":240,"max.value":240,"VMAX":145.976,"VMAX_U":"umol/h/kg BW","KM":200,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Human","CALC_FUP":0.83316,"HENRYS_LAW_DIMENSIONLESS":0.00152,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.81864,"CALC_PBA":0,"CALC_CLINT":4.29885,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Alcohol"}
{"X":25,"PREFERRED_NAME":"2,2-Dichloro-1,1,1-trifluoroethane","DTXSID":"DTXSID7020712","CASRN":"306-83-2","AVERAGE_MASS":152.93,"QSAR_READY_SMILES":"FC(F)(F)C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.02931,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.18592,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.37687,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1326.96,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01323,"VMAX":57.15033,"VMAX_U":"umol/h/kg BW","KM":6.53894,"KM_U":"uM","SOURCE_MET":"8516773","SPECIES":"Human","CALC_FUP":0.5388,"HENRYS_LAW_DIMENSIONLESS":824.65862,"LOG_HENRYS_LAW_DIMENSIONLESS":2.91627,"CALC_PBA":0,"EXP_PBA":1.86,"CALC_CLINT":51.47687,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":26,"PREFERRED_NAME":"2H-Perfluoropropane","DTXSID":"DTXSID4042048","CASRN":"431-89-0","AVERAGE_MASS":170.03,"QSAR_READY_SMILES":"FC(C(F)(F)F)C(F)(F)F","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.06957,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":-0.06242,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.84743,"VAPOR_PRESSURE_MMHG_OPERA_PRED":4284.35,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00032,"VMAX":5.04113e-20,"VMAX_U":"umol/h/kg BW","KM":5.88132e-20,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.45816,"HENRYS_LAW_DIMENSIONLESS":124104.96308,"LOG_HENRYS_LAW_DIMENSIONLESS":5.09379,"CALC_PBA":0,"EXP_PBA":0.031,"CALC_CLINT":5.0484,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":29,"PREFERRED_NAME":"Acrylonitrile","DTXSID":"DTXSID5020029","CASRN":"107-13-1","AVERAGE_MASS":53.064,"QSAR_READY_SMILES":"C=CC#N","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00007,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.44356,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.12926,"VAPOR_PRESSURE_MMHG_OPERA_PRED":46.4877,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":1.84001,"VMAX":82.1855,"VMAX_U":"umol/h/kg BW","KM":15.07613,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.86316,"HENRYS_LAW_DIMENSIONLESS":0.0721,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.14205,"CALC_PBA":0,"EXP_PBA":154,"CALC_CLINT":32.10745,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Other"}
{"X":31,"PREFERRED_NAME":"Benzene","DTXSID":"DTXSID3039242","CASRN":"71-43-2","AVERAGE_MASS":78.114,"QSAR_READY_SMILES":"C1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0039,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.09816,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.24844,"VAPOR_PRESSURE_MMHG_OPERA_PRED":88.1433,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01021,"VMAX":2.54097,"VMAX_U":"umol/h/kg BW","KM":4.48063,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.39957,"HENRYS_LAW_DIMENSIONLESS":36.28257,"LOG_HENRYS_LAW_DIMENSIONLESS":1.5597,"CALC_PBA":0,"EXP_PBA":7.8,"CALC_CLINT":3.34012,"EXP_CLINT":4.64515,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":32,"PREFERRED_NAME":"Benzo(a)pyrene","DTXSID":"DTXSID2020139","CASRN":"50-32-8","AVERAGE_MASS":252.316,"QSAR_READY_SMILES":"C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":6.03e-07,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":10.3435,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":6.13086,"VAPOR_PRESSURE_MMHG_OPERA_PRED":8.95e-09,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":4.56e-09,"VMAX":53883.11256,"VMAX_U":"umol/h/kg BW","KM":3963.28414,"KM_U":"uM","SOURCE_MET":"25032692","SPECIES":"Human","CALC_FUP":0.02581,"HENRYS_LAW_DIMENSIONLESS":0.02663,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.57457,"CALC_PBA":0,"EXP_PBA":2.04,"CALC_CLINT":80.07522,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":37,"PREFERRED_NAME":"Bromotrifluoromethane","DTXSID":"DTXSID5026415","CASRN":"75-63-8","AVERAGE_MASS":148.91,"QSAR_READY_SMILES":"FC(F)(F)Br","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.38002,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":0.52093,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.85065,"VAPOR_PRESSURE_MMHG_OPERA_PRED":6289.74,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00216,"VMAX":5.75611e-20,"VMAX_U":"umol/h/kg BW","KM":6.71547e-20,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.83798,"HENRYS_LAW_DIMENSIONLESS":23290.5343,"LOG_HENRYS_LAW_DIMENSIONLESS":4.36718,"CALC_PBA":0,"EXP_PBA":0.058,"CALC_CLINT":5.0484,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":40,"PREFERRED_NAME":"Carbon tetrachloride","DTXSID":"DTXSID8020250","CASRN":"56-23-5","AVERAGE_MASS":153.81,"QSAR_READY_SMILES":"ClC(Cl)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.03035,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.78228,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.72582,"VAPOR_PRESSURE_MMHG_OPERA_PRED":63.4091,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00819,"VMAX":1.18141,"VMAX_U":"umol/h/kg BW","KM":1.62538,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.61046,"HENRYS_LAW_DIMENSIONLESS":64.07901,"LOG_HENRYS_LAW_DIMENSIONLESS":1.80672,"CALC_PBA":0,"EXP_PBA":2.64,"CALC_CLINT":4.28099,"EXP_CLINT":0.19953,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":41,"PREFERRED_NAME":"Chlorobenzene","DTXSID":"DTXSID4020298","CASRN":"108-90-7","AVERAGE_MASS":112.56,"QSAR_READY_SMILES":"ClC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00262,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.62551,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.82863,"VAPOR_PRESSURE_MMHG_OPERA_PRED":10.3312,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00346,"EXPOS_AVAIL":"Y","OSHA_PEL":350,"max.value":350,"VMAX":53.03838,"VMAX_U":"umol/h/kg BW","KM":0.35537,"KM_U":"uM","SOURCE_MET":"15129550","SPECIES":"Human","CALC_FUP":0.20202,"HENRYS_LAW_DIMENSIONLESS":18.06082,"LOG_HENRYS_LAW_DIMENSIONLESS":1.25674,"CALC_PBA":0,"EXP_PBA":30.8,"CALC_CLINT":879.05292,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Other"}
{"X":43,"PREFERRED_NAME":"Chloroform","DTXSID":"DTXSID1020306","CASRN":"67-66-3","AVERAGE_MASS":119.37,"QSAR_READY_SMILES":"ClC(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00223,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.68596,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.96494,"VAPOR_PRESSURE_MMHG_OPERA_PRED":319.606,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.04846,"EXPOS_AVAIL":"Y","OSHA_PEL":240,"max.value":240,"VMAX":29.74261,"VMAX_U":"umol/h/kg BW","KM":3.76979,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.56719,"HENRYS_LAW_DIMENSIONLESS":42.34384,"LOG_HENRYS_LAW_DIMENSIONLESS":1.62679,"CALC_PBA":0,"EXP_PBA":10.7,"CALC_CLINT":46.46891,"EXP_CLINT":15.55966,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":45,"PREFERRED_NAME":"Decane","DTXSID":"DTXSID6024913","CASRN":"124-18-5","AVERAGE_MASS":142.286,"QSAR_READY_SMILES":"CCCCCCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.15143,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.32697,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.2371,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1.25874,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":4.95e-07,"VMAX":1.38554,"VMAX_U":"umol/h/kg BW","KM":10.54215,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.06697,"HENRYS_LAW_DIMENSIONLESS":19459.16624,"LOG_HENRYS_LAW_DIMENSIONLESS":4.28912,"CALC_PBA":0,"EXP_PBA":1.3,"CALC_CLINT":0.77409,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":47,"PREFERRED_NAME":"Dichlorodifluoromethane","DTXSID":"DTXSID6020436","CASRN":"75-71-8","AVERAGE_MASS":120.91,"QSAR_READY_SMILES":"FC(F)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.41005,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":1.31198,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.10301,"VAPOR_PRESSURE_MMHG_OPERA_PRED":3273.45,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00349,"VMAX":0.35445,"VMAX_U":"umol/h/kg BW","KM":8.27061,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.77305,"HENRYS_LAW_DIMENSIONLESS":6100.26076,"LOG_HENRYS_LAW_DIMENSIONLESS":3.78535,"CALC_PBA":0,"EXP_PBA":0.07,"CALC_CLINT":0.25242,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":48,"PREFERRED_NAME":"Dichloromethane","DTXSID":"DTXSID0020868","CASRN":"75-09-2","AVERAGE_MASS":84.93,"QSAR_READY_SMILES":"ClCCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00448,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.40781,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.43455,"VAPOR_PRESSURE_MMHG_OPERA_PRED":351.339,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.12163,"VMAX":20.57261,"VMAX_U":"umol/h/kg BW","KM":8.8308,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.70566,"HENRYS_LAW_DIMENSIONLESS":13.19448,"LOG_HENRYS_LAW_DIMENSIONLESS":1.12039,"CALC_PBA":0,"EXP_PBA":8.94,"CALC_CLINT":13.72113,"EXP_CLINT":5.98412,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":49,"PREFERRED_NAME":"Ethanol","DTXSID":"DTXSID9020584","CASRN":"64-17-5","AVERAGE_MASS":46.069,"QSAR_READY_SMILES":"CCO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":5.58e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.05388,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.27673,"VAPOR_PRESSURE_MMHG_OPERA_PRED":35.288,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":16.522,"EXPOS_AVAIL":"Y","OSHA_PEL":1900,"max.value":1900,"VMAX":3392.4,"VMAX_U":"umol/h/kg BW","KM":1000,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Human","CALC_FUP":0.9338,"HENRYS_LAW_DIMENSIONLESS":0.00529,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.2764,"CALC_PBA":0,"CALC_CLINT":19.98056,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Alcohol"}
{"X":50,"PREFERRED_NAME":"Ethyl T-butyl ether","DTXSID":"DTXSID0025604","CASRN":"637-92-3","AVERAGE_MASS":102.177,"QSAR_READY_SMILES":"CCOC(C)(C)C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00161,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.13954,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.51956,"VAPOR_PRESSURE_MMHG_OPERA_PRED":120.773,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.05276,"VMAX":25.7,"VMAX_U":"umol/h/kg BW","KM":50,"KM_U":"uM","SOURCE_MET":"IndusChemFate","SPECIES":"Human","CALC_FUP":0.76264,"HENRYS_LAW_DIMENSIONLESS":12.57812,"LOG_HENRYS_LAW_DIMENSIONLESS":1.09962,"CALC_PBA":0,"CALC_CLINT":3.02736,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":51,"PREFERRED_NAME":"Ethylbenzene","DTXSID":"DTXSID3020596","CASRN":"100-41-4","AVERAGE_MASS":106.168,"QSAR_READY_SMILES":"CCC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00715,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.87094,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.17849,"VAPOR_PRESSURE_MMHG_OPERA_PRED":5.91226,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00164,"EXPOS_AVAIL":"Y","OSHA_PEL":435,"max.value":435,"VMAX":16.82588,"VMAX_U":"umol/h/kg BW","KM":9.7958,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.1676,"HENRYS_LAW_DIMENSIONLESS":20.59829,"LOG_HENRYS_LAW_DIMENSIONLESS":1.31383,"CALC_PBA":0,"EXP_PBA":28,"CALC_CLINT":10.1167,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":53,"PREFERRED_NAME":"Furan","DTXSID":"DTXSID6020646","CASRN":"110-00-9","AVERAGE_MASS":68.075,"QSAR_READY_SMILES":"O1C=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00014,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.25988,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.29349,"VAPOR_PRESSURE_MMHG_OPERA_PRED":288.545,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.25438,"VMAX":0.94452,"VMAX_U":"umol/h/kg BW","KM":2.64414,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.62122,"HENRYS_LAW_DIMENSIONLESS":4.15288,"LOG_HENRYS_LAW_DIMENSIONLESS":0.61835,"CALC_PBA":0,"EXP_PBA":6.59,"CALC_CLINT":2.10391,"EXP_CLINT":0.46345,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":57,"PREFERRED_NAME":"Isopropanol","DTXSID":"DTXSID7020762","CASRN":"67-63-0","AVERAGE_MASS":60.096,"QSAR_READY_SMILES":"CC(C)O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":7.66e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.68214,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.25835,"VAPOR_PRESSURE_MMHG_OPERA_PRED":23.3765,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.45955,"EXPOS_AVAIL":"Y","OSHA_PEL":980,"max.value":980,"VMAX":778.04085,"VMAX_U":"umol/h/kg BW","KM":4160.01065,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Human","CALC_FUP":0.92137,"HENRYS_LAW_DIMENSIONLESS":0.00799,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.09761,"CALC_PBA":0,"EXP_PBA":800,"CALC_CLINT":1.10156,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Alcohol"}
{"X":59,"PREFERRED_NAME":"Methanol","DTXSID":"DTXSID2021731","CASRN":"67-56-1","AVERAGE_MASS":32.042,"QSAR_READY_SMILES":"CO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":5.05e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.65997,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.6059,"VAPOR_PRESSURE_MMHG_OPERA_PRED":89.2766,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":26.1229,"EXPOS_AVAIL":"Y","OSHA_PEL":260,"max.value":260,"VMAX":159.35201,"VMAX_U":"umol/h/kg BW","KM":1058.61057,"KM_U":"uM","SOURCE_MET":"1440610","SPECIES":"Human","CALC_FUP":0.94489,"HENRYS_LAW_DIMENSIONLESS":0.00589,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.22993,"CALC_PBA":0,"EXP_PBA":1349,"CALC_CLINT":0.88659,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Alcohol"}
{"X":60,"PREFERRED_NAME":"Methyl ethyl ketone","DTXSID":"DTXSID3021516","CASRN":"78-93-3","AVERAGE_MASS":72.107,"QSAR_READY_SMILES":"CCC(C)=O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00007,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.80097,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.44009,"VAPOR_PRESSURE_MMHG_OPERA_PRED":86.2527,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":2.12624,"EXPOS_AVAIL":"Y","OSHA_PEL":590,"max.value":590,"VMAX":75.44344,"VMAX_U":"umol/h/kg BW","KM":8.73702,"KM_U":"uM","SOURCE_MET":"12133235","SPECIES":"Human","CALC_FUP":0.87437,"HENRYS_LAW_DIMENSIONLESS":0.15731,"LOG_HENRYS_LAW_DIMENSIONLESS":-0.80323,"CALC_PBA":0,"EXP_PBA":183,"CALC_CLINT":50.85797,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Other"}
{"X":61,"PREFERRED_NAME":"Methyl tert-butyl ether","DTXSID":"DTXSID3020833","CASRN":"1634-04-4","AVERAGE_MASS":88.15,"QSAR_READY_SMILES":"COC(C)(C)C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00106,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.52796,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.08976,"VAPOR_PRESSURE_MMHG_OPERA_PRED":332.442,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.37644,"VMAX":3.93251,"VMAX_U":"umol/h/kg BW","KM":4.99149,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.905,"HENRYS_LAW_DIMENSIONLESS":4.1867,"LOG_HENRYS_LAW_DIMENSIONLESS":0.62187,"CALC_PBA":0,"EXP_PBA":17.7,"CALC_CLINT":4.64024,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":62,"PREFERRED_NAME":"n-Hexane","DTXSID":"DTXSID0021917","CASRN":"110-54-3","AVERAGE_MASS":86.178,"QSAR_READY_SMILES":"CCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.48693,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.18584,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.9371,"VAPOR_PRESSURE_MMHG_OPERA_PRED":131.163,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00015,"EXPOS_AVAIL":"Y","OSHA_PEL":1800,"max.value":1800,"VMAX":4.37933,"VMAX_U":"umol/h/kg BW","KM":4.64156,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.19309,"HENRYS_LAW_DIMENSIONLESS":4010.48663,"LOG_HENRYS_LAW_DIMENSIONLESS":3.6032,"CALC_PBA":0,"EXP_PBA":0.8,"CALC_CLINT":5.55706,"EXP_CLINT":1.78649,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":63,"PREFERRED_NAME":"N-Methyl-2-pyrrolidone","DTXSID":"DTXSID6020856","CASRN":"872-50-4","AVERAGE_MASS":99.133,"QSAR_READY_SMILES":"CN1CCCC1=O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":9.15e-09,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.83868,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.30032,"VAPOR_PRESSURE_MMHG_OPERA_PRED":0.99884,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.95018,"VMAX":84.81,"VMAX_U":"umol/h/kg BW","KM":2400,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Human","CALC_FUP":0.94219,"HENRYS_LAW_DIMENSIONLESS":0.00054,"LOG_HENRYS_LAW_DIMENSIONLESS":-3.27149,"CALC_PBA":0,"CALC_CLINT":0.20813,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Other"}
{"X":65,"PREFERRED_NAME":"Nonane","DTXSID":"DTXSID9025796","CASRN":"111-84-2","AVERAGE_MASS":128.259,"QSAR_READY_SMILES":"CCCCCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.16484,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.15516,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.43735,"VAPOR_PRESSURE_MMHG_OPERA_PRED":4.71569,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":1.93e-06,"VMAX":4.63447,"VMAX_U":"umol/h/kg BW","KM":6.93426,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Human","CALC_FUP":0.08128,"HENRYS_LAW_DIMENSIONLESS":16854.15609,"LOG_HENRYS_LAW_DIMENSIONLESS":4.22671,"CALC_PBA":0,"CALC_CLINT":3.93641,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":67,"PREFERRED_NAME":"Octane","DTXSID":"DTXSID0026882","CASRN":"111-65-9","AVERAGE_MASS":114.232,"QSAR_READY_SMILES":"CCCCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.36407,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.62454,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.05281,"VAPOR_PRESSURE_MMHG_OPERA_PRED":11.3995,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.23e-06,"EXPOS_AVAIL":"Y","OSHA_PEL":2350,"max.value":2350,"VMAX":6.19441,"VMAX_U":"umol/h/kg BW","KM":10.42317,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Human","CALC_FUP":0.10307,"HENRYS_LAW_DIMENSIONLESS":7587.5769,"LOG_HENRYS_LAW_DIMENSIONLESS":3.8801,"CALC_PBA":0,"CALC_CLINT":3.50026,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":69,"PREFERRED_NAME":"Pyrene","DTXSID":"DTXSID3024289","CASRN":"129-00-0","AVERAGE_MASS":202.256,"QSAR_READY_SMILES":"C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00001,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":8.86891,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.118,"VAPOR_PRESSURE_MMHG_OPERA_PRED":2.15e-06,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":6.59e-07,"VMAX":9.252,"VMAX_U":"umol/h/kg BW","KM":4.5,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Human","CALC_FUP":0.04039,"HENRYS_LAW_DIMENSIONLESS":0.03549,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.44991,"CALC_PBA":0,"CALC_CLINT":12.10943,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":70,"PREFERRED_NAME":"Styrene","DTXSID":"DTXSID2021284","CASRN":"100-42-5","AVERAGE_MASS":104.152,"QSAR_READY_SMILES":"C=CC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00254,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.78197,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.91869,"VAPOR_PRESSURE_MMHG_OPERA_PRED":3.67598,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00188,"VMAX":25.23079,"VMAX_U":"umol/h/kg BW","KM":3.45649,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.18008,"HENRYS_LAW_DIMENSIONLESS":10.9534,"LOG_HENRYS_LAW_DIMENSIONLESS":1.03955,"CALC_PBA":0,"EXP_PBA":52,"CALC_CLINT":42.99289,"EXP_CLINT":0.81658,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":71,"PREFERRED_NAME":"tert-Amyl methyl ether","DTXSID":"DTXSID8024521","CASRN":"994-05-8","AVERAGE_MASS":102.177,"QSAR_READY_SMILES":"CCC(C)(C)OC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00151,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.13954,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.74015,"VAPOR_PRESSURE_MMHG_OPERA_PRED":119.311,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.08572,"VMAX":1800,"VMAX_U":"umol/h/kg BW","KM":1000,"KM_U":"uM","SOURCE_MET":"10367338","SPECIES":"Human","CALC_FUP":0.80973,"HENRYS_LAW_DIMENSIONLESS":7.64875,"LOG_HENRYS_LAW_DIMENSIONLESS":0.88359,"CALC_PBA":0,"EXP_PBA":17.9,"CALC_CLINT":10.60164,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":72,"PREFERRED_NAME":"Tetrachloroethylene","DTXSID":"DTXSID2021319","CASRN":"127-18-4","AVERAGE_MASS":165.82,"QSAR_READY_SMILES":"ClC(Cl)=C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.01729,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.85807,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.34682,"VAPOR_PRESSURE_MMHG_OPERA_PRED":5.24398,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00233,"VMAX":0.70134,"VMAX_U":"umol/h/kg BW","KM":75.38295,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.24634,"HENRYS_LAW_DIMENSIONLESS":20.06508,"LOG_HENRYS_LAW_DIMENSIONLESS":1.30244,"CALC_PBA":0,"EXP_PBA":11.8,"CALC_CLINT":0.0548,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":73,"PREFERRED_NAME":"Tetrahydrofuran","DTXSID":"DTXSID1021328","CASRN":"109-99-9","AVERAGE_MASS":72.107,"QSAR_READY_SMILES":"C1CCOC1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00012,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.94032,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.60041,"VAPOR_PRESSURE_MMHG_OPERA_PRED":182.02,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":2.95865,"EXPOS_AVAIL":"Y","OSHA_PEL":590,"max.value":590,"VMAX":232618.58584,"VMAX_U":"umol/h/kg BW","KM":138.68279,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.8251,"HENRYS_LAW_DIMENSIONLESS":0.23858,"LOG_HENRYS_LAW_DIMENSIONLESS":-0.62237,"CALC_PBA":0,"EXP_PBA":145.3,"CALC_CLINT":9879.21687,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Ether"}
{"X":74,"PREFERRED_NAME":"Toluene","DTXSID":"DTXSID7021360","CASRN":"108-88-3","AVERAGE_MASS":92.141,"QSAR_READY_SMILES":"CC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00578,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.86549,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.61725,"VAPOR_PRESSURE_MMHG_OPERA_PRED":22.1534,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00461,"VMAX":17.90069,"VMAX_U":"umol/h/kg BW","KM":5.96911,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.2827,"HENRYS_LAW_DIMENSIONLESS":23.81342,"LOG_HENRYS_LAW_DIMENSIONLESS":1.37682,"CALC_PBA":0,"EXP_PBA":15.6,"CALC_CLINT":17.66284,"EXP_CLINT":1.91426,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":75,"PREFERRED_NAME":"Trichloroethylene","DTXSID":"DTXSID0021383","CASRN":"79-01-6","AVERAGE_MASS":131.38,"QSAR_READY_SMILES":"ClC=C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00414,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.68952,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.28747,"VAPOR_PRESSURE_MMHG_OPERA_PRED":94.3972,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01135,"VMAX":21.27852,"VMAX_U":"umol/h/kg BW","KM":11.41726,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Human","CALC_FUP":0.29496,"HENRYS_LAW_DIMENSIONLESS":58.78432,"LOG_HENRYS_LAW_DIMENSIONLESS":1.76926,"CALC_PBA":0,"EXP_PBA":9.2,"CALC_CLINT":10.97691,"EXP_CLINT":8.24138,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":76,"PREFERRED_NAME":"Vinyl chloride","DTXSID":"DTXSID8021434","CASRN":"75-01-4","AVERAGE_MASS":62.5,"QSAR_READY_SMILES":"ClC=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.01314,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":1.96285,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.00466,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1533.39,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.0815,"VMAX":39.99447,"VMAX_U":"umol/h/kg BW","KM":1.59956,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Human","CALC_FUP":0.59245,"HENRYS_LAW_DIMENSIONLESS":63.24093,"LOG_HENRYS_LAW_DIMENSIONLESS":1.801,"CALC_PBA":0,"CALC_CLINT":147.26539,"EXP_CLINT":5.50808,"WTKG":70,"GLKG":25.7,"CHEM_CLASS":"Halogenated organic compound"}
{"X":82,"PREFERRED_NAME":"1,1-Dichloroethylene","DTXSID":"DTXSID8021438","CASRN":"75-35-4","AVERAGE_MASS":96.94,"QSAR_READY_SMILES":"ClC(Cl)=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0042,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.598,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.15876,"VAPOR_PRESSURE_MMHG_OPERA_PRED":281.384,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.04071,"VMAX":117.26712,"VMAX_U":"umol/h/kg BW","KM":1.03157,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.27243,"HENRYS_LAW_DIMENSIONLESS":36.03974,"LOG_HENRYS_LAW_DIMENSIONLESS":1.55678,"CALC_PBA":0,"EXP_PBA":3,"CALC_CLINT":669.54526,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":83,"PREFERRED_NAME":"1,1,1-Trichloroethane","DTXSID":"DTXSID0021381","CASRN":"71-55-6","AVERAGE_MASS":133.4,"QSAR_READY_SMILES":"CC(Cl)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00624,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.79425,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.43114,"VAPOR_PRESSURE_MMHG_OPERA_PRED":74.7569,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01395,"EXPOS_AVAIL":"Y","OSHA_PEL":1900,"max.value":1900,"VMAX":4.77212,"VMAX_U":"umol/h/kg BW","KM":43.10345,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.28007,"HENRYS_LAW_DIMENSIONLESS":38.45211,"LOG_HENRYS_LAW_DIMENSIONLESS":1.58492,"CALC_PBA":0,"EXP_PBA":4.35,"CALC_CLINT":0.65208,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
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{"X":86,"PREFERRED_NAME":"1,1,2-Trichloro-1,2,2-trifluoroethane","DTXSID":"DTXSID6021377","CASRN":"76-13-1","AVERAGE_MASS":187.37,"QSAR_READY_SMILES":"FC(F)(Cl)C(F)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0828,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.81869,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.96667,"VAPOR_PRESSURE_MMHG_OPERA_PRED":544.329,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00101,"EXPOS_AVAIL":"Y","OSHA_PEL":7600,"max.value":7600,"VMAX":1.24014,"VMAX_U":"umol/h/kg BW","KM":5.33703,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Rat","CALC_FUP":0.11049,"HENRYS_LAW_DIMENSIONLESS":5425.52286,"LOG_HENRYS_LAW_DIMENSIONLESS":3.73444,"CALC_PBA":0,"EXP_PBA":0.41,"CALC_CLINT":1.36858,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":92,"PREFERRED_NAME":"1,2-Dichloroethane","DTXSID":"DTXSID6020438","CASRN":"107-06-2","AVERAGE_MASS":98.95,"QSAR_READY_SMILES":"ClCCCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00174,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.81117,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.63304,"VAPOR_PRESSURE_MMHG_OPERA_PRED":99.2649,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.06893,"VMAX":49.63034,"VMAX_U":"umol/h/kg BW","KM":2.52653,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.3475,"HENRYS_LAW_DIMENSIONLESS":7.66385,"LOG_HENRYS_LAW_DIMENSIONLESS":0.88445,"CALC_PBA":0,"EXP_PBA":19.5,"CALC_CLINT":115.69742,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":93,"PREFERRED_NAME":"1,2-Dichloropropane","DTXSID":"DTXSID0020448","CASRN":"78-87-5","AVERAGE_MASS":112.98,"QSAR_READY_SMILES":"CC(Cl)CCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00154,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.28766,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.99428,"VAPOR_PRESSURE_MMHG_OPERA_PRED":51.4861,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01865,"EXPOS_AVAIL":"Y","OSHA_PEL":350,"max.value":350,"VMAX":77.22,"VMAX_U":"umol/h/kg BW","KM":5.11,"KM_U":"uM","SOURCE_MET":"14709629","SPECIES":"Rat","CALC_FUP":0.23186,"HENRYS_LAW_DIMENSIONLESS":16.77734,"LOG_HENRYS_LAW_DIMENSIONLESS":1.22472,"CALC_PBA":0,"EXP_PBA":18.7,"CALC_CLINT":89.00401,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":97,"PREFERRED_NAME":"1,3-Butadiene","DTXSID":"DTXSID3020203","CASRN":"106-99-0","AVERAGE_MASS":54.092,"QSAR_READY_SMILES":"C=CC=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0679,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.0021,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.92122,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1096.85,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.018,"VMAX":2462.4,"VMAX_U":"umol/h/kg BW","KM":390,"KM_U":"uM","SOURCE_MET":"20122977","SPECIES":"Rat","CALC_FUP":0.35485,"HENRYS_LAW_DIMENSIONLESS":177.26956,"LOG_HENRYS_LAW_DIMENSIONLESS":2.24863,"CALC_PBA":0,"EXP_PBA":1.553,"CALC_CLINT":37.1873,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Other"}
{"X":99,"PREFERRED_NAME":"1,4-Dioxane","DTXSID":"DTXSID4020533","CASRN":"123-91-1","AVERAGE_MASS":88.106,"QSAR_READY_SMILES":"C1COCCO1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00002,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.27083,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.15666,"VAPOR_PRESSURE_MMHG_OPERA_PRED":42.0492,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":11.1801,"EXPOS_AVAIL":"Y","OSHA_PEL":360,"max.value":360,"VMAX":109.24114,"VMAX_U":"umol/h/kg BW","KM":34.04989,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.88289,"HENRYS_LAW_DIMENSIONLESS":0.01782,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.74905,"CALC_PBA":0,"EXP_PBA":3650,"CALC_CLINT":18.89606,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":100,"PREFERRED_NAME":"2-Butoxyethanol","DTXSID":"DTXSID1024097","CASRN":"111-76-2","AVERAGE_MASS":118.176,"QSAR_READY_SMILES":"CCCCOCCO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":1.09e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.89916,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.66142,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1.11338,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":4.66062,"EXPOS_AVAIL":"Y","OSHA_PEL":240,"max.value":240,"VMAX":227.2,"VMAX_U":"umol/h/kg BW","KM":200,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Rat","CALC_FUP":0.5544,"HENRYS_LAW_DIMENSIONLESS":0.00152,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.81864,"CALC_PBA":0,"CALC_CLINT":6.69081,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Alcohol"}
{"X":102,"PREFERRED_NAME":"2,2-Dichloro-1,1,1-trifluoroethane","DTXSID":"DTXSID7020712","CASRN":"306-83-2","AVERAGE_MASS":152.93,"QSAR_READY_SMILES":"FC(F)(F)C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.02931,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.18592,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.37687,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1326.96,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01323,"VMAX":57.15033,"VMAX_U":"umol/h/kg BW","KM":6.53894,"KM_U":"uM","SOURCE_MET":"8516773","SPECIES":"Rat","CALC_FUP":0.11824,"HENRYS_LAW_DIMENSIONLESS":824.65862,"LOG_HENRYS_LAW_DIMENSIONLESS":2.91627,"CALC_PBA":0,"EXP_PBA":1.86,"CALC_CLINT":51.47687,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Fluorinated organic compound"}
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{"X":106,"PREFERRED_NAME":"Acrylonitrile","DTXSID":"DTXSID5020029","CASRN":"107-13-1","AVERAGE_MASS":53.064,"QSAR_READY_SMILES":"C=CC#N","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00007,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.44356,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.12926,"VAPOR_PRESSURE_MMHG_OPERA_PRED":46.4877,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":1.84001,"VMAX":445.59736,"VMAX_U":"umol/h/kg BW","KM":15.07613,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.66766,"HENRYS_LAW_DIMENSIONLESS":0.0721,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.14205,"CALC_PBA":0,"EXP_PBA":154,"CALC_CLINT":174.08177,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Other"}
{"X":108,"PREFERRED_NAME":"Benzene","DTXSID":"DTXSID3039242","CASRN":"71-43-2","AVERAGE_MASS":78.114,"QSAR_READY_SMILES":"C1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.0039,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.09816,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.24844,"VAPOR_PRESSURE_MMHG_OPERA_PRED":88.1433,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01021,"VMAX":13.77677,"VMAX_U":"umol/h/kg BW","KM":4.48063,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.5121,"HENRYS_LAW_DIMENSIONLESS":36.28257,"LOG_HENRYS_LAW_DIMENSIONLESS":1.5597,"CALC_PBA":0,"EXP_PBA":7.8,"CALC_CLINT":18.10961,"EXP_CLINT":4.64515,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":109,"PREFERRED_NAME":"Benzo(a)pyrene","DTXSID":"DTXSID2020139","CASRN":"50-32-8","AVERAGE_MASS":252.316,"QSAR_READY_SMILES":"C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":6.03e-07,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":10.3435,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":6.13086,"VAPOR_PRESSURE_MMHG_OPERA_PRED":8.95e-09,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":4.56e-09,"VMAX":14790.97639,"VMAX_U":"umol/h/kg BW","KM":3963.28414,"KM_U":"uM","SOURCE_MET":"24166060","SPECIES":"Rat","CALC_FUP":0.03758,"HENRYS_LAW_DIMENSIONLESS":0.02663,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.57457,"CALC_PBA":0,"EXP_PBA":2.04,"CALC_CLINT":21.98074,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":114,"PREFERRED_NAME":"Bromotrifluoromethane","DTXSID":"DTXSID5026415","CASRN":"75-63-8","AVERAGE_MASS":148.91,"QSAR_READY_SMILES":"FC(F)(F)Br","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.38002,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":0.52093,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.85065,"VAPOR_PRESSURE_MMHG_OPERA_PRED":6289.74,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00216,"VMAX":3.12088e-19,"VMAX_U":"umol/h/kg BW","KM":6.71547e-20,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Rat","CALC_FUP":0.61424,"HENRYS_LAW_DIMENSIONLESS":23290.5343,"LOG_HENRYS_LAW_DIMENSIONLESS":4.36718,"CALC_PBA":0,"EXP_PBA":0.058,"CALC_CLINT":27.37167,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":117,"PREFERRED_NAME":"Carbon tetrachloride","DTXSID":"DTXSID8020250","CASRN":"56-23-5","AVERAGE_MASS":153.81,"QSAR_READY_SMILES":"ClC(Cl)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.03035,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.78228,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.72582,"VAPOR_PRESSURE_MMHG_OPERA_PRED":63.4091,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00819,"VMAX":6.40541,"VMAX_U":"umol/h/kg BW","KM":1.62538,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.23681,"HENRYS_LAW_DIMENSIONLESS":64.07901,"LOG_HENRYS_LAW_DIMENSIONLESS":1.80672,"CALC_PBA":0,"EXP_PBA":2.64,"CALC_CLINT":23.2109,"EXP_CLINT":0.19953,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
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{"X":124,"PREFERRED_NAME":"Dichlorodifluoromethane","DTXSID":"DTXSID6020436","CASRN":"75-71-8","AVERAGE_MASS":120.91,"QSAR_READY_SMILES":"FC(F)(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.41005,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":1.31198,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.10301,"VAPOR_PRESSURE_MMHG_OPERA_PRED":3273.45,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00349,"VMAX":1.9218,"VMAX_U":"umol/h/kg BW","KM":8.27061,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Rat","CALC_FUP":0.41101,"HENRYS_LAW_DIMENSIONLESS":6100.26076,"LOG_HENRYS_LAW_DIMENSIONLESS":3.78535,"CALC_PBA":0,"EXP_PBA":0.07,"CALC_CLINT":1.36858,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Fluorinated organic compound"}
{"X":125,"PREFERRED_NAME":"Dichloromethane","DTXSID":"DTXSID0020868","CASRN":"75-09-2","AVERAGE_MASS":84.93,"QSAR_READY_SMILES":"ClCCl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00448,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.40781,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.43455,"VAPOR_PRESSURE_MMHG_OPERA_PRED":351.339,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.12163,"VMAX":111.54161,"VMAX_U":"umol/h/kg BW","KM":8.8308,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.38754,"HENRYS_LAW_DIMENSIONLESS":13.19448,"LOG_HENRYS_LAW_DIMENSIONLESS":1.12039,"CALC_PBA":0,"EXP_PBA":8.94,"CALC_CLINT":74.39392,"EXP_CLINT":5.98412,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":126,"PREFERRED_NAME":"Ethanol","DTXSID":"DTXSID9020584","CASRN":"64-17-5","AVERAGE_MASS":46.069,"QSAR_READY_SMILES":"CCO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":5.58e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.05388,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.27673,"VAPOR_PRESSURE_MMHG_OPERA_PRED":35.288,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":16.522,"EXPOS_AVAIL":"Y","OSHA_PEL":1900,"max.value":1900,"VMAX":5280,"VMAX_U":"umol/h/kg BW","KM":1000,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Rat","CALC_FUP":0.84201,"HENRYS_LAW_DIMENSIONLESS":0.00529,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.2764,"CALC_PBA":0,"CALC_CLINT":31.09815,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Alcohol"}
{"X":127,"PREFERRED_NAME":"Ethyl T-butyl ether","DTXSID":"DTXSID0025604","CASRN":"637-92-3","AVERAGE_MASS":102.177,"QSAR_READY_SMILES":"CCOC(C)(C)C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00161,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.13954,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.51956,"VAPOR_PRESSURE_MMHG_OPERA_PRED":120.773,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.05276,"VMAX":40,"VMAX_U":"umol/h/kg BW","KM":50,"KM_U":"uM","SOURCE_MET":"IndusChemFate","SPECIES":"Rat","CALC_FUP":0.47553,"HENRYS_LAW_DIMENSIONLESS":12.57812,"LOG_HENRYS_LAW_DIMENSIONLESS":1.09962,"CALC_PBA":0,"CALC_CLINT":4.71184,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":128,"PREFERRED_NAME":"Ethylbenzene","DTXSID":"DTXSID3020596","CASRN":"100-41-4","AVERAGE_MASS":106.168,"QSAR_READY_SMILES":"CCC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00715,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.87094,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.17849,"VAPOR_PRESSURE_MMHG_OPERA_PRED":5.91226,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00164,"EXPOS_AVAIL":"Y","OSHA_PEL":435,"max.value":435,"VMAX":91.22738,"VMAX_U":"umol/h/kg BW","KM":9.7958,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.25679,"HENRYS_LAW_DIMENSIONLESS":20.59829,"LOG_HENRYS_LAW_DIMENSIONLESS":1.31383,"CALC_PBA":0,"EXP_PBA":28,"CALC_CLINT":54.85121,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":130,"PREFERRED_NAME":"Furan","DTXSID":"DTXSID6020646","CASRN":"110-00-9","AVERAGE_MASS":68.075,"QSAR_READY_SMILES":"O1C=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00014,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.25988,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.29349,"VAPOR_PRESSURE_MMHG_OPERA_PRED":288.545,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.25438,"VMAX":5.12104,"VMAX_U":"umol/h/kg BW","KM":2.64414,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.52395,"HENRYS_LAW_DIMENSIONLESS":4.15288,"LOG_HENRYS_LAW_DIMENSIONLESS":0.61835,"CALC_PBA":0,"EXP_PBA":6.59,"CALC_CLINT":11.40707,"EXP_CLINT":0.46345,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":134,"PREFERRED_NAME":"Isopropanol","DTXSID":"DTXSID7020762","CASRN":"67-63-0","AVERAGE_MASS":60.096,"QSAR_READY_SMILES":"CC(C)O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":7.66e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.68214,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.25835,"VAPOR_PRESSURE_MMHG_OPERA_PRED":23.3765,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.45955,"EXPOS_AVAIL":"Y","OSHA_PEL":980,"max.value":980,"VMAX":4218.41991,"VMAX_U":"umol/h/kg BW","KM":4160.01065,"KM_U":"uM","SOURCE_MET":"17365028","SPECIES":"Rat","CALC_FUP":0.66965,"HENRYS_LAW_DIMENSIONLESS":0.00799,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.09761,"CALC_PBA":0,"EXP_PBA":800,"CALC_CLINT":5.9725,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Alcohol"}
{"X":136,"PREFERRED_NAME":"Methanol","DTXSID":"DTXSID2021731","CASRN":"67-56-1","AVERAGE_MASS":32.042,"QSAR_READY_SMILES":"CO","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":5.05e-06,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.65997,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.6059,"VAPOR_PRESSURE_MMHG_OPERA_PRED":89.2766,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":26.1229,"EXPOS_AVAIL":"Y","OSHA_PEL":260,"max.value":260,"VMAX":689.63393,"VMAX_U":"umol/h/kg BW","KM":1058.61057,"KM_U":"uM","SOURCE_MET":"1440610","SPECIES":"Rat","CALC_FUP":0.95048,"HENRYS_LAW_DIMENSIONLESS":0.00589,"LOG_HENRYS_LAW_DIMENSIONLESS":-2.22993,"CALC_PBA":0,"EXP_PBA":1349,"CALC_CLINT":3.83692,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Alcohol"}
{"X":137,"PREFERRED_NAME":"Methyl ethyl ketone","DTXSID":"DTXSID3021516","CASRN":"78-93-3","AVERAGE_MASS":72.107,"QSAR_READY_SMILES":"CCC(C)=O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00007,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.80097,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.44009,"VAPOR_PRESSURE_MMHG_OPERA_PRED":86.2527,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":2.12624,"EXPOS_AVAIL":"Y","OSHA_PEL":590,"max.value":590,"VMAX":75.44344,"VMAX_U":"umol/h/kg BW","KM":8.73702,"KM_U":"uM","SOURCE_MET":"12133235","SPECIES":"Rat","CALC_FUP":0.56131,"HENRYS_LAW_DIMENSIONLESS":0.15731,"LOG_HENRYS_LAW_DIMENSIONLESS":-0.80323,"CALC_PBA":0,"EXP_PBA":183,"CALC_CLINT":50.85797,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Other"}
{"X":138,"PREFERRED_NAME":"Methyl tert-butyl ether","DTXSID":"DTXSID3020833","CASRN":"1634-04-4","AVERAGE_MASS":88.15,"QSAR_READY_SMILES":"COC(C)(C)C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00106,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.52796,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.08976,"VAPOR_PRESSURE_MMHG_OPERA_PRED":332.442,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.37644,"VMAX":21.32148,"VMAX_U":"umol/h/kg BW","KM":4.99149,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.62724,"HENRYS_LAW_DIMENSIONLESS":4.1867,"LOG_HENRYS_LAW_DIMENSIONLESS":0.62187,"CALC_PBA":0,"EXP_PBA":17.7,"CALC_CLINT":25.15867,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":139,"PREFERRED_NAME":"n-Hexane","DTXSID":"DTXSID0021917","CASRN":"110-54-3","AVERAGE_MASS":86.178,"QSAR_READY_SMILES":"CCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.48693,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.18584,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.9371,"VAPOR_PRESSURE_MMHG_OPERA_PRED":131.163,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00015,"EXPOS_AVAIL":"Y","OSHA_PEL":1800,"max.value":1800,"VMAX":23.74408,"VMAX_U":"umol/h/kg BW","KM":4.64156,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.29089,"HENRYS_LAW_DIMENSIONLESS":4010.48663,"LOG_HENRYS_LAW_DIMENSIONLESS":3.6032,"CALC_PBA":0,"EXP_PBA":0.8,"CALC_CLINT":30.12954,"EXP_CLINT":1.78649,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":140,"PREFERRED_NAME":"N-Methyl-2-pyrrolidone","DTXSID":"DTXSID6020856","CASRN":"872-50-4","AVERAGE_MASS":99.133,"QSAR_READY_SMILES":"CN1CCCC1=O","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":9.15e-09,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.83868,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":-0.30032,"VAPOR_PRESSURE_MMHG_OPERA_PRED":0.99884,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.95018,"VMAX":132,"VMAX_U":"umol/h/kg BW","KM":2400,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Rat","CALC_FUP":0.71307,"HENRYS_LAW_DIMENSIONLESS":0.00054,"LOG_HENRYS_LAW_DIMENSIONLESS":-3.27149,"CALC_PBA":0,"CALC_CLINT":0.32394,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Other"}
{"X":142,"PREFERRED_NAME":"Nonane","DTXSID":"DTXSID9025796","CASRN":"111-84-2","AVERAGE_MASS":128.259,"QSAR_READY_SMILES":"CCCCCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.16484,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":4.15516,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.43735,"VAPOR_PRESSURE_MMHG_OPERA_PRED":4.71569,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":1.93e-06,"VMAX":4.63447,"VMAX_U":"umol/h/kg BW","KM":6.93426,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Rat","CALC_FUP":0.1523,"HENRYS_LAW_DIMENSIONLESS":16854.15609,"LOG_HENRYS_LAW_DIMENSIONLESS":4.22671,"CALC_PBA":0,"CALC_CLINT":3.93641,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":144,"PREFERRED_NAME":"Octane","DTXSID":"DTXSID0026882","CASRN":"111-65-9","AVERAGE_MASS":114.232,"QSAR_READY_SMILES":"CCCCCCCC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.36407,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.62454,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.05281,"VAPOR_PRESSURE_MMHG_OPERA_PRED":11.3995,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":9.23e-06,"EXPOS_AVAIL":"Y","OSHA_PEL":2350,"max.value":2350,"VMAX":6.19441,"VMAX_U":"umol/h/kg BW","KM":10.42317,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Rat","CALC_FUP":0.18966,"HENRYS_LAW_DIMENSIONLESS":7587.5769,"LOG_HENRYS_LAW_DIMENSIONLESS":3.8801,"CALC_PBA":0,"CALC_CLINT":3.50026,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aliphatic hydrocarbon"}
{"X":146,"PREFERRED_NAME":"Pyrene","DTXSID":"DTXSID3024289","CASRN":"129-00-0","AVERAGE_MASS":202.256,"QSAR_READY_SMILES":"C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00001,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":8.86891,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":5.118,"VAPOR_PRESSURE_MMHG_OPERA_PRED":2.15e-06,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":6.59e-07,"VMAX":14.4,"VMAX_U":"umol/h/kg BW","KM":4.5,"KM_U":"uM","SOURCE_MET":"21998005","SPECIES":"Rat","CALC_FUP":0.05707,"HENRYS_LAW_DIMENSIONLESS":0.03549,"LOG_HENRYS_LAW_DIMENSIONLESS":-1.44991,"CALC_PBA":0,"CALC_CLINT":18.84737,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":147,"PREFERRED_NAME":"Styrene","DTXSID":"DTXSID2021284","CASRN":"100-42-5","AVERAGE_MASS":104.152,"QSAR_READY_SMILES":"C=CC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00254,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.78197,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.91869,"VAPOR_PRESSURE_MMHG_OPERA_PRED":3.67598,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00188,"VMAX":136.79752,"VMAX_U":"umol/h/kg BW","KM":3.45649,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.2071,"HENRYS_LAW_DIMENSIONLESS":10.9534,"LOG_HENRYS_LAW_DIMENSIONLESS":1.03955,"CALC_PBA":0,"EXP_PBA":52,"CALC_CLINT":233.10094,"EXP_CLINT":0.81658,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":148,"PREFERRED_NAME":"tert-Amyl methyl ether","DTXSID":"DTXSID8024521","CASRN":"994-05-8","AVERAGE_MASS":102.177,"QSAR_READY_SMILES":"CCC(C)(C)OC","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00151,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.13954,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.74015,"VAPOR_PRESSURE_MMHG_OPERA_PRED":119.311,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.08572,"VMAX":1800,"VMAX_U":"umol/h/kg BW","KM":1000,"KM_U":"uM","SOURCE_MET":"10367338","SPECIES":"Rat","CALC_FUP":0.46593,"HENRYS_LAW_DIMENSIONLESS":7.64875,"LOG_HENRYS_LAW_DIMENSIONLESS":0.88359,"CALC_PBA":0,"EXP_PBA":17.9,"CALC_CLINT":10.60164,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":149,"PREFERRED_NAME":"Tetrachloroethylene","DTXSID":"DTXSID2021319","CASRN":"127-18-4","AVERAGE_MASS":165.82,"QSAR_READY_SMILES":"ClC(Cl)=C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.01729,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.85807,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":3.34682,"VAPOR_PRESSURE_MMHG_OPERA_PRED":5.24398,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00233,"VMAX":3.80255,"VMAX_U":"umol/h/kg BW","KM":75.38295,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.22111,"HENRYS_LAW_DIMENSIONLESS":20.06508,"LOG_HENRYS_LAW_DIMENSIONLESS":1.30244,"CALC_PBA":0,"EXP_PBA":11.8,"CALC_CLINT":0.2971,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":150,"PREFERRED_NAME":"Tetrahydrofuran","DTXSID":"DTXSID1021328","CASRN":"109-99-9","AVERAGE_MASS":72.107,"QSAR_READY_SMILES":"C1CCOC1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00012,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":2.94032,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":0.60041,"VAPOR_PRESSURE_MMHG_OPERA_PRED":182.02,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":2.95865,"EXPOS_AVAIL":"Y","OSHA_PEL":590,"max.value":590,"VMAX":1261222.82151,"VMAX_U":"umol/h/kg BW","KM":138.68279,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.65338,"HENRYS_LAW_DIMENSIONLESS":0.23858,"LOG_HENRYS_LAW_DIMENSIONLESS":-0.62237,"CALC_PBA":0,"EXP_PBA":145.3,"CALC_CLINT":53563.62104,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Ether"}
{"X":151,"PREFERRED_NAME":"Toluene","DTXSID":"DTXSID7021360","CASRN":"108-88-3","AVERAGE_MASS":92.141,"QSAR_READY_SMILES":"CC1=CC=CC=C1","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00578,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.86549,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.61725,"VAPOR_PRESSURE_MMHG_OPERA_PRED":22.1534,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.00461,"VMAX":97.05482,"VMAX_U":"umol/h/kg BW","KM":5.96911,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.34327,"HENRYS_LAW_DIMENSIONLESS":23.81342,"LOG_HENRYS_LAW_DIMENSIONLESS":1.37682,"CALC_PBA":0,"EXP_PBA":15.6,"CALC_CLINT":95.76526,"EXP_CLINT":1.91426,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Aromatic hydrocarbon"}
{"X":152,"PREFERRED_NAME":"Trichloroethylene","DTXSID":"DTXSID0021383","CASRN":"79-01-6","AVERAGE_MASS":131.38,"QSAR_READY_SMILES":"ClC=C(Cl)Cl","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.00414,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":3.68952,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":2.28747,"VAPOR_PRESSURE_MMHG_OPERA_PRED":94.3972,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.01135,"VMAX":115.3689,"VMAX_U":"umol/h/kg BW","KM":11.41726,"KM_U":"uM","SOURCE_MET":"20685286","SPECIES":"Rat","CALC_FUP":0.14636,"HENRYS_LAW_DIMENSIONLESS":58.78432,"LOG_HENRYS_LAW_DIMENSIONLESS":1.76926,"CALC_PBA":0,"EXP_PBA":9.2,"CALC_CLINT":59.51513,"EXP_CLINT":8.24138,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}
{"X":153,"PREFERRED_NAME":"Vinyl chloride","DTXSID":"DTXSID8021434","CASRN":"75-01-4","AVERAGE_MASS":62.5,"QSAR_READY_SMILES":"ClC=C","HENRYS_LAW_ATM.M3.MOLE_OPERA_PRED":0.01314,"OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED":1.96285,"OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED":1.00466,"VAPOR_PRESSURE_MMHG_OPERA_PRED":1533.39,"WATER_SOLUBILITY_MOL.L_OPERA_PRED":0.0815,"VMAX":39.99447,"VMAX_U":"umol/h/kg BW","KM":1.59956,"KM_U":"uM","SOURCE_MET":"21391144","SPECIES":"Rat","CALC_FUP":0.41826,"HENRYS_LAW_DIMENSIONLESS":63.24093,"LOG_HENRYS_LAW_DIMENSIONLESS":1.801,"CALC_PBA":0,"CALC_CLINT":147.26539,"EXP_CLINT":5.50808,"WTKG":0.25,"GLKG":40,"CHEM_CLASS":"Halogenated organic compound"}