{"text_format":"3","workbook":"xlsx","n_sheets":2,"sheets":["2020_07_27_Africa_Output_BFF_Ma","EPA_High"],"read":"whole","date_system":"1900"}

{"sheet":"2020_07_27_Africa_Output_BFF_Ma","index":0,"n_rows":3582,"n_cols":273,"rows_kept":281,"cut":true,"bounds":{"rows_first":125,"rows_last":31,"rows_between":125,"halvings":4}}
["AVG TIC",0,"ï..Checked","Tags","Name","Molecular.Weight","RT..min.","Area..Max..","Reference.m.z","TIC.Sum","Avg.TIC","NIST.Lib.Hit.Formula","NIST.Theo..Mol..Mass","NIST.Observed.Mol..Mass","Score","HRF.Score","RHRF.Score","SI","RSI","Calculated.RI","RI.Delta","Area..38_2020_02_06_FB1.raw..F110.","Area..44_2020_02_03_FB1.raw..F125.","Area..65_2020_02_03_FB2.raw..F168.","Area..7_2020_01_27_1279.raw..F17.","Area..7_2020_02_06_2421.raw..F18.","Area..7_2020_02_08__1118.raw..F19.","Area..7_2020_02_12__1029.raw..F20.","Area..8_2020_01_27_1271.raw..F21.","Area..8_2020_02_06_1942.raw..F22.","Area..8_2020_02_08__1177.raw..F23.","Area..8_2020_02_12__1176.raw..F24.","Area..9_2020_01_27_1165.raw..F25.","Area..9_2020_02_06_2665.raw..F26.","Area..9_2020_02_08__1164.raw..F27.","Area..9_2020_02_12__1079.raw..F28.","Area..10_2020_01_27_1114.raw..F29.","Area..10_2020_02_06_2651.raw..F30.","Area..10_2020_02_08__1158.raw..F31.","Area..10_2020_02_12__1365.raw..F32.","Area..11_2020_01_27_1273.raw..F33.","Area..11_2020_02_06_2548.raw..F34.","Area..11_2020_02_08__1124.raw..F35.","Area..11_2020_02_12__1073.raw..F36.","Area..14_2020_01_27_2507.raw..F37.","Area..14_2020_02_06_2664.raw..F38.","Area..14_2020_02_08__1105.raw..F39.","Area..14_2020_02_12__1071.raw..F40.","Area..15_2020_01_27_2519.raw..F41.","Area..15_2020_02_06_2276.raw..F42.","Area..15_2020_02_08__1186.raw..F43.","Area..15_2020_02_12__1049.raw..F44.","Area..16_2020_01_27_2455.raw..F45.","Area..16_2020_02_06_2661.raw..F46.","Area..16_2020_02_08__1155.raw..F47.","Area..16_2020_02_12__1035.raw..F48.","Area..17_2020_01_27_2235.raw..F49.","Area..17_2020_02_06_2483.raw..F50.","Area..17_2020_02_08__1072.raw..F51.","Area..17_2020_02_12__1032.raw..F52.","Area..18_2020_01_27_2226.raw..F53.","Area..18_2020_02_06_1021.raw..F54.","Area..18_2020_02_08__1065.raw..F55.","Area..18_2020_02_12__1013.raw..F56.","Area..21_2020_01_27_2321.raw..F57.","Area..21_2020_02_06_1319.raw..F58.","Area..21_2020_02_08__1204.raw..F59.","Area..21_2020_02_12__1034.raw..F60.","Area..22_2020_01_27_2424.raw..F61.","Area..22_2020_02_06_2440.raw..F62.","Area..22_2020_02_08__1169.raw..F63.","Area..22_2020_02_12__1005.raw..F64.","Area..23_2020_01_27_2425.raw..F65.","Area..23_2020_02_06_Yr5_014B03.raw..F66.","Area..23_2020_02_08__1102.raw..F67.","Area..23_2020_02_12__1009.raw..F68.","Area..24_2020_01_27_2441.raw..F69.","Area..24_2020_02_06_2306.raw..F70.","Area..24_2020_02_08__1133.raw..F71.","Area..24_2020_02_12__1221.raw..F72.","Area..25_2020_01_27_2307.raw..F73.","Area..25_2020_02_06_1292.raw..F74.","Area..25_2020_02_08__1109.raw..F75.","Area..25_2020_02_12__1214.raw..F76.","Area..28_2020_01_27_2260.raw..F77.","Area..28_2020_02_06_1270.raw..F78.","Area..28_2020_02_08__1113.raw..F79.","Area..28_2020_02_12__1316.raw..F80.","Area..29_2020_01_27_2248.raw..F81.","Area..29_2020_02_06_1269.raw..F82.","Area..29_2020_02_08__1167.raw..F83.","Area..29_2020_02_12__1226.raw..F84.","Area..30_2020_01_27_2296.raw..F85.","Area..30_2020_02_06_1284.raw..F86.","Area..30_2020_02_08__1057.raw..F87.","Area..30_2020_02_12__1281.raw..F88.","Area..31_2020_01_27_2255.raw..F89.","Area..31_2020_02_06_1338.raw..F90.","Area..31_2020_02_08__1023.raw..F91.","Area..31_2020_02_12__1379.raw..F92.","Area..32_2020_01_27_2259.raw..F93.","Area..32_2020_02_06_1326.raw..F94.","Area..32_2020_02_08__1068.raw..F95.","Area..32_2020_02_12__1402.raw..F96.","Area..35_2020_01_27_2249.raw..F97.","Area..35_2020_02_06_1337.raw..F98.","Area..35_2020_02_08__1058.raw..F99.","Area..35_2020_02_12__1392.raw..F100.","Area..36_2020_01_27_2222.raw..F101.","Area..36_2020_02_06_1309.raw..F102.","Area..36_2020_02_08__1131.raw..F103.","Area..36_2020_02_12__1401.raw..F104.","Area..37_2020_01_27_2242.raw..F105.","Area..37_2020_02_06_1333.raw..F106.","Area..37_2020_02_08__1142.raw..F107.","Area..37_2020_02_12__1396.raw..F108.","Area..38_2020_01_27_VHEMBEYr5018B03.raw..F109.","Area..38_2020_02_08__1126.raw..F111.","Area..38_2020_02_12__1388.raw..F112.","Area..39_2020_02_03_2216.raw..F113.","Area..39_2020_02_06_1306.raw..F114.","Area..39_2020_02_08__1082.raw..F115.","Area..39_2020_02_12__1236.raw..F116.","Area..40_2020_02_06_1349.raw..F117.","Area..41_2020_02_06_1347.raw..F118.","Area..42_2020_02_03_2199.raw..F119.","Area..42_2020_02_08__1172.raw..F120.","Area..42_2020_02_12__1397.raw..F121.","Area..43_2020_02_03_2129.raw..F122.","Area..43_2020_02_08__1147.raw..F123.","Area..43_2020_02_12__1122.raw..F124.","Area..44_2020_02_08__1104.raw..F126.","Area..44_2020_02_12__1184.raw..F127.","Area..45_2020_02_03_2237.raw..F128.","Area..45_2020_02_08__1116.raw..F129.","Area..45_2020_02_12__1179.raw..F130.","Area..46_2020_02_03_2224.raw..F131.","Area..46_2020_02_08__1212.raw..F132.","Area..46_2020_02_12__1673.raw..F133.","Area..49_2020_02_03_2220.raw..F134.","Area..49_2020_02_08__1170.raw..F135.","Area..49_2020_02_12__1342.raw..F136.","Area..50_2020_02_03_2217.raw..F137.","Area..50_2020_02_08__1135.raw..F138.","Area..50_2020_02_12__1378.raw..F139.","Area..51_2020_02_03_2214.raw..F140.","Area..51_2020_02_08__1080.raw..F141.","Area..51_2020_02_12__1120.raw..F142.","Area..52_2020_02_03_2200.raw..F143.","Area..52_2020_02_08__1134.raw..F144.","Area..52_2020_02_12__1198.raw..F145.","Area..53_2020_02_03_1169.raw..F146.","Area..53_2020_02_08__1168.raw..F147.","Area..53_2020_02_12__1217.raw..F148.","Area..56_2020_02_03_2102.raw..F149.","Area..56_2020_02_08__1091.raw..F150.","Area..56_2020_02_12__1178.raw..F151.","Area..57_2020_02_03_2074.raw..F152.","Area..57_2020_02_08__1083.raw..F153.","Area..57_2020_02_12__1185.raw..F154.","Area..58_2020_02_03_2079.raw..F155.","Area..58_2020_02_08__1101.raw..F156.","Area..58_2020_02_12__1173.raw..F157.","Area..59_2020_02_03_2195.raw..F158.","Area..59_2020_02_08__1115.raw..F159.","Area..59_2020_02_12__1235.raw..F160.","Area..60_2020_02_03_2464.raw..F161.","Area..60_2020_02_08__1182.raw..F162.","Area..60_2020_02_12__1215.raw..F163.","Area..61_2020_02_08__1166.raw..F164.","Area..62_2020_02_08__1153.raw..F165.","Area..63_2020_02_03_2468.raw..F166.","Area..64_2020_02_03_2244.raw..F167.","Area..66_2020_02_03_2634.raw..F169.","Area..67_2020_02_03_2213.raw..F170.","Q1.Area","Median.Area","Q3.Area","Mean.Area","Area.CV....","Group.Area..Sample","Group.CV......Sample","Conf_Hit","Conf_Multiple","Conf_Name","Conf_CAS_Num","Conf_Formula","Conf_Score","Conf_HRF_Score","Conf_RHRF_Score","Conf_SI","Conf_RSI","Conf_Elements_Found_Perc","Conf_DeltaMass_ppm","Conf_MPlus_in_Lib","Conf_MPlus_Found","Conf_Library","Conf_Library_ID_Num","Conf_Library_RI","Conf_RI_Column_Type","Conf_RI_Delta","Conf_RI_Diff_perc","Tent_Hit","Tent_Multiple","Tent_Name","Tent_CAS_Num","Tent_Formula","Tent_Score","Tent_HRF_Score","Tent_RHRF_Score","Tent_SI","Tent_RSI","Tent_Elements_Found_Perc","Tent_DeltaMass_ppm","Tent_MPlus_in_Lib","Tent_MPlus_Found","Tent_Library","Tent_Library_ID_Num","Tent_Library_RI","Tent_RI_Column_Type","Tent_RI_Delta","Tent_RI_Diff_perc","Top_Hit","CAS_RN","Confidence","INPUT","FOUND_BY","DTXSID","PREFERRED_NAME","INCHIKEY","IUPAC_NAME","EXPOCAST_MEDIAN_EXPOSURE_PREDICTION_MG/KG-BW/DAY","EXPOCAST","NHANES","DATA_SOURCES","MS_READY_SMILES","CPDAT_COUNT","WIKIPEDIA_ARTICLE","BIOCONCENTRATION_FACTOR_TEST_PRED","BOILING_POINT_DEGC_TEST_PRED","48HR_DAPHNIA_LC50_MOL/L_TEST_PRED","DENSITY_G/CM^3_TEST_PRED","DEVTOX_TEST_PRED","96HR_FATHEAD_MINNOW_MOL/L_TEST_PRED","FLASH_POINT_DEGC_TEST_PRED","MELTING_POINT_DEGC_TEST_PRED","AMES_MUTAGENICITY_TEST_PRED","ORAL_RAT_LD50_MOL/KG_TEST_PRED","SURFACE_TENSION_DYN/CM_TEST_PRED","THERMAL_CONDUCTIVITY_MW/(M*K)_TEST_PRED","TETRAHYMENA_PYRIFORMIS_IGC50_MOL/L_TEST_PRED","VISCOSITY_CP_CP_TEST_PRED","VAPOR_PRESSURE_MMHG_TEST_PRED","WATER_SOLUBILITY_MOL/L_TEST_PRED","ATMOSPHERIC_HYDROXYLATION_RATE_(AOH)_CM3/MOLECULE*SEC_OPERA_PRED","BIOCONCENTRATION_FACTOR_OPERA_PRED","BIODEGRADATION_HALF_LIFE_DAYS_DAYS_OPERA_PRED","BOILING_POINT_DEGC_OPERA_PRED","HENRYS_LAW_ATM-M3/MOLE_OPERA_PRED","OPERA_KM_DAYS_OPERA_PRED","OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED","SOIL_ADSORPTION_COEFFICIENT_KOC_L/KG_OPERA_PRED","OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED","MELTING_POINT_DEGC_OPERA_PRED","VAPOR_PRESSURE_MMHG_OPERA_PRED","WATER_SOLUBILITY_MOL/L_OPERA_PRED","UBAPMT","EFSAPRI","TSCAHIGHPRI","TRIRELEASE","ATSDRLST","MNDOHTOXFREE"]
[null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,"BATCH","Blank_Batch2","Blank_Batch2","Blank_Batch3","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch1","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch2","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch3","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch4","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5","Batch5",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[{"$f":"AVERAGE(Y3:FS3)","v":5471761.6641123835},3322,false,0,"1,9-Dihydropyrene",204.09381,19.466,11304297,202.07756,841479898,5464155,"C16 H12",204.09335,204.09326,66.3,37.8,77.9,558,906,1863,82,284859.2769,225100.8739,4107.252416,3980850.911,959199.9151,9589978.007,9827953.619,6927616.463,3149136.832,29771248.63,7967634.972,5199055.738,3016273.343,1015721.362,3278812.09,2501625.456,2166191.649,4299096.857,2135809.358,6762398.395,4693467.713,5605316.418,1689900.25,2264169.153,3438308.712,1575216.195,2790515.064,8571216.125,4827301.909,1722180.751,4494553.651,7428581.202,5155686.494,125572.0737,3358560.401,1244807.279,1663142.943,618891.545,19249253.07,3748743.747,1011100.73,780358.1444,11309906.25,5140520.485,2095073.95,53939.0203,5946096.376,3068797.302,0,2504808.325,34667666.18,6108392.859,2958772.488,2920924.987,20592962.74,19476211.88,4998524.36,1989733.638,6701906.019,2080719.934,3160721.77,2116570.859,4207257.277,5310227.023,3325437.461,9419242.2,7062038.4,1941484.267,3391683.34,164582.7079,4170431.746,1948554.259,9854536.846,165842.1003,9121221.744,1181702.164,3761268.052,28347.94387,2564811.506,6240515.135,10330731.86,11692781.53,6407081.535,2532479.911,5250480.898,4136122.481,1454811.823,7460757.18,3249721.369,2802469.259,106624.0959,2745695.768,47878332.07,2113165.092,325831.5967,4143795.536,6796150.355,216158.3264,2259347.617,5638573.207,3358560.401,286829.3269,7632131.77,3302475.641,4354777.056,8315958.417,703887.1743,43706987.26,148610.8703,5632956.647,1463830.007,274661.7311,3531535.564,2001755.442,9260792.736,26906155.23,6696240.142,7794435.152,1412075.646,10310946.68,4982558.213,1663502.244,2013263.008,8604293.013,3199811.981,4167852.825,660135.3683,2263895.726,2983575.321,5897921.082,6498901.063,3263526.506,159099.9955,1879654.656,32848484.98,0,1533442.048,1779068.463,11454584.01,4743700.839,3521722.145,3847783.166,3453594.295,1425522.998,11830688.63,3487585.313,3802862.53,5843755.796,2409681.223,1077181.497,2620039.932,2774914.543,2766036.05,1783776.656,778275,1374989,2412626,2263259.087,132.6111982,1374989,132.6111982,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1,9-Dihydropyrene","28862-02-4","C16 H12",66.3,37.8,77.9,558,906,100,-0.44,true,true,"w11n17main1",204964,1781,"UnspecifiedColumnType",82,4.4,"1,9-Dihydropyrene","28862-02-4","Low","28862-02-4","CAS-RN","DTXSID90346045","1,9-Dihydropyrene","JBWYHEWFOLZDIH-UHFFFAOYSA-N","1,9-Dihydropyrene","1.83E-06","Y","-",4,"C1C=CC2=C3C1=CCC1=CC=CC(C=C2)=C31","-","-",984.011,424.986,3.82825e-06,1.195,0.909,1.93642e-07,178.909,136.683,1.069,0,"-","-",3.45144e-05,"-",5.47016e-07,9.72747e-07,1.58885E-11,203.028,174.693,326.501,0.000662874,1.73797,8.41392,106554,5.07984,153.313,1.58232E-6,2.69796e-07,"-","-","-","-","-","-",0]
[3060974.0824655634,3926,false,0,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-",272.25033,22.697,15678113,272.24979,585623888,3802753,"C14 H12 D2 N4 O2",272.12368,0,48.5,55.3,0,517,752,2099,0,0,1345.698008,22050.46239,445097.6951,3232584.476,557140.6296,2338818.952,6552356.683,9955891.778,664495.0753,14986066.76,0,1640216.913,319542.7366,15066992.66,0,1818355.592,211223.8291,934763.276,2643789.617,15885620.01,967022.5643,0,0,3003440.201,310733.5393,321193.5053,33246265.52,0,568134.393,1441560.491,4001911.982,0,0,0,3174940.047,3405817.623,950892.9202,2202235.761,13628508.13,0,338758.9628,0,6413573.5,5810286.474,647041.1313,0,8081685.162,4420629.643,292719.3319,3089076.171,5580379.435,0,243786.0817,0,4018131.099,5195402.641,0,6285567.119,12186347.43,0,0,1011952.616,7025569.724,0,388035.8649,2402655.534,0,12579351.13,243483.2916,889833.2245,5703669.912,8147781.576,3413167.989,0,950892.9202,5090618.013,568964.1563,0,13185846.54,0,5131114.331,1002107.163,5556167.066,1427417.167,355161.4293,1224729.51,3262355.233,0,374135.7266,9493760.255,6689272.188,0,831477.1128,259992.7083,4274169.972,1270629.75,0,6829476.921,0,0,1535775.354,638034.9446,0,9761100.148,222496.2097,0,3847090.299,134026.5034,6040254.556,235736.8798,450029.1693,1334229.177,505674.4527,0,0,25005220.43,0,0,0,989446.058,2445680.18,1282719.908,1232310.25,7421752.553,386331.8505,20863806.93,7363300.536,0,724828.6017,0,3765347.263,9213093.339,0,0,1131563.704,1259897.675,550837.618,1310006.215,4043045.786,4185888.625,0,0,538260.924,1034912.363,5597951.249,1105660.031,0,552378.3383,912339.7823,0,10322851.08,0,7600420.903,440622,1500547,3710289,2886460.89,129.2540353,1500547,129.2540353,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzo[g]pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-","18636-32-3","C14 H12 D2 N4 O2",48.5,55.3,0,517,752,80,0,true,false,"w11n17_w11rep",19184,0,"None",0,0,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3,7,8,10-tetramethyl-","18636-32-3","Low","18636-32-3","CAS-RN","DTXSID60171881","3-Methyllumiflavin","DSUJCACXEBHAAS-UHFFFAOYSA-N","3,7,8,10-Tetramethylbenzo[g]pteridine-2,4(3H,10H)-dione","-","-","-",11,"CN1C(=O)N=C2N(C)C3=C(C=C(C)C(C)=C3)N=C2C1=O","-","-",8.14704,"-",0.000100693,1.396,0.948,"-",236.998,217.223,1.068,4.45656E-3,"-","-","-","-",1.01859e-08,0.000325837,1.20242e-10,2.84949,4.90557,332.331,1.24348E-5,0.315709,9.41494,386.084,0.153556,112.173,2.00259e-08,0.026639,"-","-","-","-","-","-",0]
[12220492.556418672,2295,false,0,"Chrysene",228.09393,27.121,35574206,228.09338,1707290741,11086304,"C18 H12",228.09335,228.09338,93.5,89.5,100,883,883,2467,0,398594.9574,636061.8643,38799.34876,5485905.06,3890896.373,1758582.1,11570728.58,16178287.06,30550781.22,4610769.667,1419753.257,26398812.99,11056438.62,1764580.52,5906575.179,4065156.963,573132.3947,20364323.3,5272446.96,25691893.59,2011048.815,16920794,2916642.242,9903957.139,84943.32773,6004119.805,0,166490394.9,31212528.48,4470434.237,10809662.44,80808725.11,3632030.653,4049777.862,21152467.31,4307711.83,0,5379176.01,37286577.07,26301391.89,249306.4721,3196192.066,38038669.32,12771822.47,122539.5448,0,448393.3446,12777161.59,55333.9305,5475677.015,0,8399119.672,10235567.91,5282675.005,48379945.31,61452266.66,53788.28998,2311923.625,12738244.79,2881734.609,5969096.989,3882276.206,7060561.647,9019373.089,4703665.945,4056209.255,35043413.39,4892697.78,0,47451.16387,9017954.737,12749776.48,11491484.31,2267837.668,11336926.11,1448544.864,2926094.061,170344.0676,0,43564266.32,14023273.35,3181464.212,8079683.761,3743645.411,9905891.978,13150937.51,3667094.404,9874549.121,3642269.561,2098286.376,12373950.43,5379176.01,2371770.967,0,21015865.15,3713934.545,1167271.827,11017105.57,11547230.74,0,202811.4067,39071871.93,23338755.99,19701223.18,7869422.248,1088677.514,2777450.171,118001615.3,1632621.541,15687446.72,4228137.853,10986432.76,7792151.44,1501647.605,21932887.29,22210872.58,10740405.31,14068623.58,105393.3451,6074371.154,4288523.892,8976452.962,3484208.34,18374040.62,7056061.081,543726.8203,34063118.34,2703599.998,0,5353327.492,41659623.27,7392863.116,14862741.4,467330.1294,36807408.59,97383285.45,0,5298570.417,7589672.873,2378088.822,2392644.682,17369110.94,0,1900147.442,14704022.12,379577.854,0,7956909.889,15716992.04,18396.19084,2118974.375,5405024.528,3011664.278,1852265.566,663373,1621672,3938570.5,3263987.978,150.0551949,1621672,150.0551949,true,true,"Benz[a]anthracene","56-55-3","C18 H12",93.2,89.5,96.9,868,925,100,0.14,true,true,"gc-orbitrap contaminants library-2017-09-18",33,2476,"AnyColumnType",9,0.4,true,true,"Chrysene","218-01-9","C18 H12",93.5,89.5,100,883,883,100,0.14,true,true,"w11n17_w11rep",17553,0,"None",0,0,"Benz[a]anthracene","56-55-3","High","56-55-3","CAS-RN","DTXSID5023902","Benz(a)anthracene","DXBHBZVCASKNBY-UHFFFAOYSA-N","Tetraphene","7.86E-06","Y","-",176,"C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2",20,"Y",528.445,460.888,1.18032e-06,1.19,0.688,5.44503e-07,208.782,144.152,1.067,0.0092045,41.365,127.553,9.977e-06,"-",1.11173e-08,5.34564e-08,2.80238E-11,258.361,285.962,436.862,1.18331E-5,1.0539,9.37103,200038,5.60152,220.498,1.85512E-7,1.3808E-8,"-","-","-","Y","-","Y",2]
[5732169.84396477,3324,false,0,"Benzo[f]isoquinoline",179.07332,19.062,7150610,98.06011,839088623,5448627,"C13 H9 N",179.07295,179.07277,60.3,25.6,34,502,607,1836,60,23859.80666,153047,23409.2947,3627246.239,2384807.329,293224.3202,27232800.69,3259976.145,9958163.371,2380650.459,288418.0473,4048416.739,6875380.339,558180.5324,209538.2187,825039.8065,36863.14083,528828.9294,1247443.129,3906294.832,3544588.069,5502668.513,1586403.442,9093905.905,5261257.482,262348.1841,433033.3816,27302402.2,4390036.502,1298711.009,7421304.928,1770210.311,3777613.916,1595407.544,12929061.57,2043719.929,53662.20456,10022773.58,14191234.73,16574103.92,84506.71102,1625528.382,4458999.118,545210.066,50117.70777,2382728.894,4485093.509,20273140.11,2596193.335,1137885.745,12422387.71,11300543.78,13191814.58,773057.4175,4029501.556,43351779.72,8842830.593,889842.7113,2427077.355,2190169.097,1546982.408,447297.5114,2338380.433,6075310.9,2058082.465,1178418.542,2316315.34,11741729.6,1006871.147,584749.8346,1782575.491,12120527.51,11334939.52,1838181.906,2172354.231,1231551.864,1184682.536,2382728.894,2847653.29,16311931.04,1931828.452,2602660.109,3735591.414,5853991.419,28185530.09,1276364.039,689745.1893,9576902.17,2897017.301,773597.2275,35724614.34,10635752.92,3475023.739,1724616.279,969026.8222,3459180.585,3775068.807,2244569.535,48676484.29,1508285.083,2197262.677,1023357.171,7537533.709,663754.4349,26434001.95,119698.7078,1424617.267,54887698.9,966823.8255,3166611.889,786431.4098,1479661.479,18760174.13,1588460.343,1044178.206,2781922.018,166891.0757,1140773.891,4449604.195,793944.8801,1028608.954,11245240.27,540830.3728,1322902.611,7141867.109,521319.8819,2826237.85,10079992.65,572990.881,1583209.199,7017063.027,2561375.733,1091005.559,3037982.941,10025875.36,25297110.06,2809456.327,970729.8241,839440.3658,4960182.163,457602.2826,2624511.66,4151651.981,503782.7285,3051905.027,2341400.249,2424057.539,1022634.579,854759.5532,662660.858,861424.3238,17816372.52,6783181.765,9123636.116,171077,412537,1206710.5,961867.9073,147.6307836,412537,147.6307836,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzo[f]isoquinoline","229-67-4","C13 H9 N",60.3,25.6,34,502,607,100,-1.01,true,true,"w11n17main1",130111,1776,"UnspecifiedColumnType",60,3.3,"Benzo[f]isoquinoline","229-67-4","Low","229-67-4","CAS-RN","DTXSID30177436","Benz(f)isoquinoline","JQXCGCPMGZBMLE-UHFFFAOYSA-N","Benzo[f]isoquinoline","1.22E-06","Y","-",6,"C1=CC=C2C(C=CC3=C2C=CN=C3)=C1","-","-",26.2422,332.93,3.79315e-05,1.208,0.289,1.80302e-05,187.741,102.706,1.05,0.00803526,44.519,132.317,5.30884e-05,"-",1.47231E-5,0.000328095,1.47299e-11,255.34,14.4856,347.188,1.33776E-4,2.62579,7.37154,12439.6,3.37626,90.6948,5.71075e-05,0.000382618,"-","-","-","-","-","-",0]
[10804199.00058212,2387,false,0,"Chrysene",228.09393,27.226,18903060,226.07774,1595087328,10357710,"C18 H12",228.09335,228.09338,95.8,91.9,100,949,956,2476,0,895179.2827,642918.7162,259986.8618,16626339.98,3152188.193,700138.7713,102086602.8,6291529.149,82923149.73,2847024.725,16861212,1662403.004,4141149.773,1038853.348,5922923.239,3934424.754,1984011.696,14668864.03,3240426.8,13427563.32,11269474.65,9783472.815,2604738.097,24624945.15,21799175.64,5243987.4,2795982.742,45081696.47,1364963.123,12982200.47,6146862.259,11250709.57,4583902.662,1908267.749,28932627.3,1910525.959,4089166.055,2325683.051,7264346.29,11247107.74,3786523.461,2852935.056,7981929.112,5583455.319,1546609.967,13691052.18,14426053.17,5564962.279,683792.2999,4430564.686,1739323.192,12560260.82,4368070.83,5655815.209,35379449.38,35698898.77,8326216.439,2588833.299,7508259.169,5119690.185,5387315.96,3656335.03,5601948.36,16389328.39,4896692.435,5755826.158,29541797.49,39582914.45,1968400.635,759826.9407,6200859.681,5073619.196,30176499.74,1050385.171,13248144.25,5185291.868,1602828.034,2145797.898,537610.7563,11545210.12,13209763.51,2580433.883,8066005.795,4180359.244,13632338.32,1833613.919,5583455.319,8009682.038,5286736.681,1258973.894,7334625.673,4299560.085,15340040.82,431597.3151,27510337.13,444814.4649,10034205.15,10826600.9,9362480.696,10014791.66,1321060.499,17722323.71,9799360.621,3197764.027,5504067.423,13593239.35,2972736.739,80335876.54,1043623.6,35125854.86,2294514.208,35564885.23,5177149.084,1382441.623,5128442.35,10603458.58,10829485.78,21630579.86,377891.3485,5717246.647,19647463.72,1176996.327,7757557.294,800609.4066,6704300.179,2232457.604,11684390.17,3907655.795,3166952.366,4868478.048,7948016.143,31575540.63,37373287.3,2795957.77,17997674.62,67024764.97,2675004.375,4225942.926,12649100.32,15446142.68,360559.8119,5449663.991,3162867.668,2508476.428,10867406.99,4885472.838,3669925.54,8593778.788,1568418.782,346880.0121,6388720.144,6933419.332,17448803.27,510976.3826,606163.5,1313789,2789408,2482791.536,137.5958232,1313789,137.5958232,true,true,"Chrysene","218-01-9","C18 H12",94.6,91.9,96.5,892,914,100,0.14,true,true,"gc-orbitrap contaminants library-2017-09-18",34,2484,"AnyColumnType",8,0.3,true,true,"Chrysene","218-01-9","C18 H12",95.8,91.9,100,949,956,100,0.14,true,true,"w11n17_w11rep",17553,0,"None",0,0,"Chrysene","218-01-9","High","218-01-9","CAS-RN","DTXSID0022432","Chrysene","WDECIBYCCFPHNR-UHFFFAOYSA-N","Chrysene","2.18E-07","Y","-",157,"C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C=CC=C2)C=C1",20,"Y",557.186,451.445,1.05925e-06,1.188,0.635,5.22396e-07,209.067,171.294,1.044,8.74984E-3,41.365,127.126,1.08143e-05,"-",1.11686E-8,5.17607E-8,2.81404e-11,420.28,377.401,436.862,5.28503e-06,3.85787,9.37103,204192,5.80864,220.498,6.66949e-09,1.3808E-8,"-","-","-","Y","-","Y",2]
[1457019.7315773445,5294,false,0,"9,10-Dimethyl-1,2,3,4-tetrahydroanthracene",210.14069,20.127,208980,124.08827,218937920,1421675,"C16 H18",210.1403,210.14014,75.7,55.9,51,666,666,1909,35,33716.66359,100807.8587,82120.78543,17559.84206,289439.5677,719036.2194,5775287.907,1504559.195,1167637.171,589734.9061,730913.5346,747550.1149,735342.2125,192333.2837,651286.6795,308154.976,23453.82569,1776013.029,2758875.749,936797.9176,401350.7999,1781305.403,135430.5797,672819.5252,9878894.336,332427.8242,5950371.088,2536672.234,683560.1484,753904.8743,75306.45172,1354478.752,654220.0246,724974.877,2055883.422,500169.2966,77236.45849,2651740.846,7217863.45,292975.0279,371779.6169,366162.4931,4699984.657,5821929.76,562005.9094,810823.9907,8034373.498,1265706.56,287478.3781,980437.4353,104599.9029,831545.3608,1744983.046,1698998.745,335543.4166,851502.0823,674697.5249,867618.6189,2190046.697,690593.7481,77736.96856,394813.839,1115731.278,717266.9682,563653.4553,749463.3226,1945511.071,591308.9058,530578.9072,173031.6905,732682.7858,600944.5568,675221.936,1121730.122,827940.1526,169474.0505,118399.6791,147840.7615,34821.01925,3766233.615,525595.9148,1215894.719,2065175.852,484757.1934,1028870.044,181287.2032,3589918.082,951156.8924,356766.877,386316.6694,3994157.406,1008797.347,133189.07,724974.877,1175068.077,1372876.783,1377162.373,1757127.963,485914.3509,127946.8324,295826.4696,52328.15998,489629.817,1472706.38,1589948.901,470419.553,1476296.225,626309.6856,402060.2924,1904050.729,800407.5346,2425858.704,446314.9234,827512.56,2045680.581,684238.5059,7318209.934,2041383.061,40340.71619,8476880.482,433280.7151,2001032.694,33984.50415,1782502.522,703246.0246,494597.5744,1534288.582,720999.0278,2603962.51,12231877.08,550127.5786,1523390.38,672227.3239,172656.7213,3672420.524,13528428.53,341997.0181,622564.5922,2491104.363,352165.0274,208558.3825,1879399.372,212614.6494,825310.3861,885369.5131,596242.283,1525394.388,1699897.499,557538.8704,8514.622099,51135.98319,1634083.684,0,728950.7262,134712.75,240437,565033.25,481597.76,141.1403383,240437,141.1403383,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","9,10-Dimethyl-1,2,3,4-tetrahydroanthracene","94573-50-9","C16 H18",75.7,55.9,51,666,666,100,-0.79,true,true,"w11n17main1",225290,1944,"UnspecifiedColumnType",35,1.8,"9,10-Dimethyl-1,2,3,4-tetrahydroanthracene","94573-50-9","Low","94573-50-9","CAS-RN","DTXSID30346281","9,10-Dimethyl-1,2,3,4-tetrahydroanthracene","VOQZRIDDJFONSG-UHFFFAOYSA-N","9,10-Dimethyl-1,2,3,4-tetrahydroanthracene","3.04E-06","Y","-",4,"CC1=C2CCCCC2=C(C)C2=CC=CC=C12","-","-",508.159,343.292,2.17771e-06,1.036,0.845,9.24698e-07,159.268,95.709,1.029,0.00669885,36.25,119.553,2.01372e-05,19.8609,5.57186e-05,1.1749E-6,2.10838e-11,443.325,78.3828,313.085,4.23256E-4,2.82073,8.20835,5170.08,5.07413,71.2132,4.19131e-05,7.44922e-07,"-","-","-","-","-","-",0]
[3785241.2135976166,3826,false,0,"Benzo[e]pyrene",252.09396,30.491,4572824,126.04647,617819977,4011818,"C20 H12",252.09335,252.09341,82.5,64.1,100,840,945,2786,0,151574.1759,51024.93341,17711.07267,229095.6412,209106.4348,273238.1185,13786268.13,732765.1243,3016924.188,513044.9891,931694.619,3233298.654,21127357.18,99649.20443,580641.0728,368494.2772,765679.0445,3674761.591,377136.1954,1973130.575,22637220.72,1717820.832,322600.5181,54112325.14,10665568.84,862546.5519,363282.8358,2853721.329,68854.47678,95982.51761,950317.4488,814112.7982,472228.6617,124183.5392,956007.1753,88181.44198,251918.8308,2195571.469,1884489.6,31241481.45,98064.57944,207415.425,1502915.827,9327282.863,25884.6612,1463569.651,1783042.4,3012369.492,247963.4935,570563.6526,352597.5663,8745230.327,1459123.794,4651142.67,5717230.148,29956467.28,13075755.96,280793.9287,491642.0322,183977.9233,6417181.454,472252.1353,551092.0337,1443566.657,3224966.446,375539.6444,1520646.809,562661.1391,154604.327,244937.0569,1057661.944,215530.7718,3833873.479,1713942.104,1411038.903,56036.91307,151669.5035,218622.4658,124777.8746,4573385.812,1220618.47,641405.1993,684550.0106,385992.9315,13835699.8,267152.1698,468476.7124,1110258.018,404807.2213,284023.2417,1693987.554,851553.3245,1335626.525,826754.1622,31253224.88,528668.709,801352.0352,15650089.26,1755701.887,814112.7982,101459.2593,1826400.992,6576100.251,613146.4524,1210544.183,1865277.29,347409.1602,13649759.81,980680.306,2421568.947,531877.5558,610722.6537,553220.1185,110390.3009,1531453.884,30168965.7,1674935.297,1786984.148,16139236.37,452838.3377,387993.9923,55550.23662,1157318.588,709918.9941,1746929.591,587289.5377,760492.3055,460474.8459,607753.8952,849037.8653,49844915.59,12517651.23,1101166.337,914051.2695,6004744.721,10165153.14,229429.2396,389210.3908,1448635.706,3247552.929,290517.1816,274324.6505,271388.8007,3316557.769,585508.2355,438047.7574,742489.6086,832070.1379,796155.4585,138248.8371,338385.5529,9582659.096,6719533.432,45518.04201,94884.5,219719,709633.5,1103857.808,210.7577622,219719,210.7577622,true,true,"Benzo[k]fluoranthene","207-08-9","C20 H12",80.8,64.1,80.5,755,858,100,0.25,true,true,"gc-orbitrap contaminants library-2017-09-18",30,2802,"AnyColumnType",16,0.6,true,true,"Benzo[e]pyrene","192-97-2","C20 H12",82.5,64.1,100,840,945,100,0.25,true,true,"w11n17_w11rep",18543,0,"None",0,0,"Benzo[k]fluoranthene","207-08-9","High","207-08-9","CAS-RN","DTXSID0023909","Benzo(k)fluoranthene","HAXBIWFMXWRORI-UHFFFAOYSA-N","Benzo[k]fluoranthene","5.37E-06","Y","-",145,"C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1",12,"Y",484.172,488.24,5.8479e-07,1.278,0.498,2.18273e-07,207.473,203.279,1.028,0,43.361,"-",3.4435e-06,"-",1.84077e-08,7.56833e-09,2.00863e-11,1272.08,350.547,479.711,5.86645E-7,0.871903,9.384,22054.3,6.10891,216.788,9.7743E-10,3.22556e-09,"-","-","-","Y","-","Y",2]
[3551116.6818707287,4138,false,0,"Cyclopenta[cd]pyrene",226.07829,26.426,7357222,126.04237,510360869,3314032,"C18 H10",226.0777,226.07774,75,54.9,100,650,867,2405,3,44435.85143,702533.5485,6309.724284,4512976.443,1180652.918,508185.4236,223878.6442,601804.1522,8746633.535,1539660.39,473391.9362,13800925.77,4394673.145,595888.0159,0,4286214.532,1489562.665,12088329.62,3256260.858,5881008.65,1481826.029,1083338.79,598510.9334,1942352.069,8935096.963,2784260.039,1326403.591,14227794.96,5814537.812,931950.0065,1917382.935,10616396.38,3614192.701,23002.90833,2541718.368,2896220.808,1707728.022,20078.21968,1107754.84,7151741.44,1514611.527,163488.0644,985959.547,255782.5917,228015.4584,85033.58154,135367.3183,8588082.418,1395443.502,1433724.018,164015.9097,6891317.27,5115132.248,1595499.037,203353.4488,16849255.09,1988531.302,1069244.399,0,65834.68096,2480323.719,1745503.693,1644632.746,4205410.595,802845.1854,820539.7601,66574.59747,3133956.204,314646.6484,56658.09009,4375116.544,5674905.917,3144044.309,9490189.658,994383.8496,916203.1401,107761.4937,202706.4423,1885901.518,2666246.266,8300421.876,2027275.484,1607542.786,744354.6137,1478849.684,104481.4402,1961937.163,3587131.504,132072.2248,2284592.77,1051531.728,4448454.591,113072.4667,1017085.782,0,511089.6169,541962.6085,166591.3954,3618540.762,64924.81391,1667970.718,25122358.03,1514611.527,181003.8168,10663430.11,225063.7864,229420.6794,15845096.17,930053.4512,3553019.379,1417683.04,8091874.655,7864958.705,1753491.166,82726.35968,1184713.878,0,228765.4415,3428132.366,338619.9566,224580.9249,9916362.289,55003.93717,1474669.659,5360773.816,1290712.504,500164.7537,5481930.359,1762774.175,450301.0898,116881.6549,222275.059,552668.3874,4058039.042,4519606.56,77729961.96,3173057.598,6073571.166,73954.75845,4032644.394,1090406.157,105330.4173,4681997.571,872356.6926,13489684.78,3216011.88,10686305.13,5990409.375,672491.2536,1120634.36,1554553.396,10550500.04,4326193.163,4948327.813,240481,774475,1976947,1747720.136,173.3702727,774475,173.3702727,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Cyclopenta[cd]pyrene","27208-37-3","C18 H10",75,54.9,100,650,867,100,0.18,true,true,"w11n17main1",280587,2402,"SemiStandardNonPolar",3,0.1,"Cyclopenta[cd]pyrene","27208-37-3","Low","27208-37-3","CAS-RN","DTXSID7074822","Cyclopenta[cd]pyrene","BZCXQYVNASLLQO-UHFFFAOYSA-N","Cyclopenta[cd]pyrene","1.61E-06","Y","-",38,"C1=CC2=C3C1=CC1=CC=CC4=CC=C(C=C2)C3=C14",1,"-",685.488,453.197,1.33045e-06,1.302,0.658,9.44061e-08,228.451,207.309,0.987,0,"-","-",5.5335e-06,"-",3.59749e-09,2.0893e-08,2.54553E-11,1567.42,387.679,436.182,5.45848e-06,1.11261,9.63083,383101,5.70048,208.864,2.21614e-08,1.2947e-07,"-","-","-","-","-","Y",1]
[35409704.289823845,1155,false,0,"Benzo[e]pyrene",252.09398,31.329,20267941,252.09343,5092674911,33069318,"C20 H12",252.09335,252.09343,85.3,66,100,946,946,2894,0,11911288.96,7104434.101,0,13002421.23,14368646.95,278339.783,6574250.486,0,63795450.18,12081856.07,0,58309045.52,35906754.66,2524112.799,0,8668468.022,1853245.124,77156622.25,2185680.345,51046978.66,26257648.87,19417273.7,562837.2596,115876339.7,36494784.31,23941232.87,485515.0816,133902687,52177287.87,5214469.91,51344419.29,72655445.63,30943529.74,6068450.455,762726.6551,4092172.498,13344473.6,2552920.34,62696013.61,59359494.86,12542138.65,207169.5523,5455269.15,11080795.27,11518781.91,22375085.67,65568031.54,89660336.95,7386902.449,32186608.48,1279717.076,93623295.31,64184224.14,11808661.33,821758.1225,2214606.401,62580213.65,12434116.98,0,9693432.46,24931808.66,22119494.41,36323435.44,5776688.375,1063721.839,21146277.53,58264492.72,15632808.55,12650160.31,6863661.622,690521.119,1715843.271,142764360.4,701962.1928,46994831.72,6710707.592,5327713.053,303371.2712,1260887.842,112410285.5,52625278.91,1188063.445,11674203.09,28528208.62,6749986.892,23985444.44,13333108.44,70079528.22,0,11198264.13,54806984.41,24587408.48,0,5653861.858,104766686.5,12542138.65,629201.5098,53335810.55,78839799.76,35268893.36,8958515.73,232861359.1,0,35414669.58,30816697.75,1808982.215,4613995.741,576699261.5,282982.9888,128794978.2,1671456.879,62604801.6,52978314.76,296139.8023,11153566.79,63614632.49,71261129.43,7921068.542,0,20253393.27,6628706.691,0,0,62742219.68,27107479.45,25140214.5,34829901.74,0,3901150.408,0,98655583.52,800687.6803,44612315.27,14469254.32,184250126.8,500764978.7,6970580.837,586204.0887,13930710.51,80950470.77,0,0,7501687.77,963310.7652,62449018.81,619262.3822,33971102.62,61894736.48,19764288.65,3180958.931,0,22324601.59,14977087.03,4904116.301,190897,649202,1931517.25,1487167.713,175.3973609,649202,175.3973609,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Benzo[e]pyrene","192-97-2","C20 H12",85.3,66,100,946,946,100,0.31,true,true,"w11n17_w11rep",18543,0,"None",0,0,"Benzo[e]pyrene","192-97-2","Medium","192-97-2","CAS-RN","DTXSID3023764","Benzo(e)pyrene","TXVHTIQJNYSSKO-UHFFFAOYSA-N","Benzo[e]pyrene","8.86E-06","Y","-",113,"C1=CC2=C3C=CC=C4C=CC5=CC=CC(=C2C=C1)C5=C34",1,"Y",654.636,477.23,7.48169e-07,1.273,0.355,2.11836e-07,232.257,223.85,0.984,0,44.403,"-",3.4435e-06,"-",7.12853e-09,8.16582e-09,3.44507e-11,910.302,365.345,486.93,1.06894e-06,1.17396,10.3435,544271,6.42775,225.812,5.68184e-09,1.36184E-8,"-","-","-","-","-","Y",1]
[1375469.0705815237,5312,false,0,"Cyclopenta(def)phenanthrenone",204.05746,22.117,5673599,176.06209,215762135,1401053,"C15 H8 O",204.05697,204.05692,97.1,97.9,99.2,897,909,2055,0,8410.597288,6613.597488,1418.054226,504119.2924,239057.3326,62934.23856,7046845.95,2013129.24,3323303.546,129926.9489,0,1360641.465,1290161.199,0,479039.3017,452186.0568,189215.389,1354815.944,819623.5889,1733876.592,2481328.885,1773958.655,136776.3958,1566669.414,1624643.816,0,863700.5167,3095247.743,1527079.947,305828.1422,841662.0528,2534641.065,1046422.202,68657.48731,752309.7306,172918.0721,40165.61938,0,4704209.951,1514881.363,171917.0336,103294.7587,3405566.305,942582.4892,0,985392.3927,2460958.581,2717093.056,188291.0842,0,1319988.918,2410329.771,995351.0444,445149.0004,4652277.442,8568926.825,1502620.848,0,1337739.661,778578.4228,696631.7022,0,596978.038,1386983.511,402925.0986,725588.9891,3377274.794,904745.6828,674615.8272,157509.3357,1393366.106,316503.312,5725854.287,505279.7623,2271614.233,168271.0547,314387.8872,204489.3506,174783.2204,2101006.514,1254257.807,701849.805,1238387.963,505880.4614,2634276.648,356749.1116,74565.67486,1353753.412,324337.0802,0,2021069.45,734719.2495,1894404.613,319952.1607,1850808.924,395546.5557,1579399.494,2405171.495,992826.9617,979813.6523,358145.2318,2312290.928,841662.0528,249655.6743,1237629.282,3095005.481,159449.7798,7301868.189,0,2984702.805,0,1311085.408,866489.1104,223379.2236,1017385.692,7708298.906,0,0,357069.0219,2962649.467,4414185.254,747230.5511,712802.2435,0,1263924.722,1169124.827,1193235.125,844150.9544,649543.4105,0,2184219.292,1575016.453,0,532672.8588,8028262.03,11049875.4,233249.9123,839173.1512,2773474.977,2567725.78,816488.5055,241693.0092,851563.7479,241132.9315,478974.2831,771334.8591,1355340.19,1076217.815,1193732.306,181959.3713,526401.1862,1426583.874,1350919.469,666240.9151,212441.5,476311,1001211,801281.6222,115.8946397,476311,115.8946397,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Cyclopenta(def)phenanthrenone","5737-13-3","C15 H8 O",97.1,97.9,99.2,897,909,100,-0.25,true,true,"w11n17main1",203830,0,"None",0,0,"Cyclopenta(def)phenanthrenone","5737-13-3","Medium","5737-13-3","CAS-RN","DTXSID50205967","4H-Cyclopenta(def)phenanthren-4-one","IFCBMPOMNSORDG-UHFFFAOYSA-N","4H-Cyclopenta[def]phenanthren-4-one","1.06E-06","Y","-",16,"O=C1C2=CC=CC3=C2C2=C(C=CC=C12)C=C3","-","-",98.4011,369.462,8.3946e-06,1.3,0.435,2.09411e-06,187.858,183.501,0.978,0,"-","-",4.7863e-05,"-",3.70681e-08,4.69894e-07,1.91239e-12,74.666,22.6889,366.744,3.69923E-7,0.24398,8.95506,49591.9,3.86746,123.815,5.47973e-07,1.18678E-5,"-","-","-","-","-","-",0]
[877615.3729438743,5697,false,0,"9,10-Dimethylanthracene",206.10957,21.777,792242,191.08546,144617587,939075,"C16 H14",206.109,206.10902,93.4,89.4,100,882,933,2029,0,11019.43266,950.8658949,3954.261695,574831.3367,249412.202,526008.8691,2607594.568,1823667.855,3135260.311,671353.9162,382294.0369,919798.3864,665418.2281,323050.4579,1420686.219,494321.6521,620436.0294,587475.8319,446101.6842,1339740.655,109621.6154,933391.9519,503827.0174,487654.1668,66096.34628,260129.2315,429851.5217,2527784.409,744561.3026,550420.1029,404380.1507,587393.1255,584482.2347,47426.50775,284567.1977,130943.8951,357027.9096,246244.6956,1040925.125,2020978.76,725925.8052,53378.70882,1332175.417,528505.0985,854597.3216,50770.31882,2339786.043,800112.178,141134.1888,42500.39655,1104334.004,14601987.52,829849.8815,352774.8469,2460097.552,1573810.701,615653.9903,130910.5621,1451554.7,333456.5665,271733.9914,2532.779338,908873.495,545370.2618,514205.4,353435.8844,1106177.904,296984.544,355722.571,18552.15958,555469.944,1127542.167,6813597.296,571266.1964,903789.9992,119154.9325,550420.1029,63556.43181,392223.15,918589.6108,928470.8821,722559.042,1011547.581,461188.4185,690269.5209,132509.8094,927565.6934,1048814.897,677995.2221,257583.3975,212695.5527,695892.3923,817132.6773,440122.3448,261401.837,597051.4391,485002.7578,345829.6302,461808.2274,626194.3521,285410.8885,899319.051,512788.631,497248.8158,775266.5871,556099.4557,51750.3341,2390625.538,218542.8634,889323.3306,478132.8367,8858.660747,420807.1944,279719.6449,1171653.333,1807725.12,5185817.291,2744199.929,392339.024,1270386.487,1225973.802,0,437951.8246,1442251.031,613200.2317,457872.4828,0,456537.8534,447325.7575,1381049.338,3666666.382,1016252.022,1244566.136,272947.4867,473017.8999,873658.9496,164169.9318,396162.1594,19382.60288,942851.6051,602409.7,1116769.586,1665117.335,368469.1236,11601.81825,1537913.487,498430.5058,30858.3144,198981.6918,200257.4715,465157.2477,747176.0111,775365.0666,314251.6411,217215,394616,657086,695047.9195,206.8757013,394616,206.8757013,true,true,"1,8-Dimethylphenanthrene","7372-87-4","C16 H14",93.3,89.4,100,876,926,100,0.11,true,true,"w11n17main1",211773,2009,"UnspecifiedColumnType",20,1,true,true,"9,10-Dimethylanthracene","781-43-1","C16 H14",93.4,89.4,100,882,933,100,0.11,true,true,"w11n17_w11rep",16142,0,"None",0,0,"1,8-Dimethylphenanthrene","7372-87-4","High","7372-87-4","CAS-RN","DTXSID90224031","Phenanthrene, 1,8-dimethyl-","LPHQUKCANLSJRU-UHFFFAOYSA-N","1,8-Dimethylphenanthrene","1.90E-06","Y","-",9,"CC1=C2C=CC3=C(C)C=CC=C3C2=CC=C1","-","-",510.505,365.544,1.74181e-06,1.074,0.702,1e-06,163.096,124.645,0.969,0.0063387,37.884,121.682,2.12324E-5,"-",4.4157e-06,9.7949e-07,3.08139e-11,1011.79,42.8875,347.341,3.26833e-05,2.18334,7.87102,24654.8,5.3817,156.865,5.22152e-06,3.12499E-7,"-","-","-","-","-","-",0]
[18877225.116960283,1720,false,0,"TCPP",277.01642,18.425,12146125,156.98161,2705502759,17568200,"C9 H18 Cl3 O4 P",326.00028,0,78.3,99.2,98.8,927,928,1792,0,204336.8317,244813.6925,321017.6492,11633339.53,19428904.86,20642425.15,11304579.87,15672065.9,67880800.81,42513884.77,18458257.4,12176279.76,8189919.318,4433275.966,6380919.624,9614736.412,13122504.68,3474163.542,15072970.63,14929067.71,15342926.2,4598007.886,20655877.1,15733753.74,10431197.79,2294370.928,16650816.94,26919165.86,5704814.623,11091166.22,18420410.97,14526382.24,12740078.2,8145485.818,9006899.43,8571269.596,28882724.3,2889811.326,15195012.85,9104154.1,37830500.85,1269244.309,30987749.47,15419618.88,14025786.2,15398572.78,15081823.07,14904653.8,14348223.67,5316071.544,52509908.87,15980924.82,10022613.94,1378266.111,56506524.81,21281236.22,14047977.72,2594516.256,10132113.94,9750776.708,4092622.54,4267501.26,26348857.89,37370512.78,29490082.84,3413401.302,6510689.416,15897370.46,3427638.383,3743626.632,14003594.68,16267070.52,41889497.93,21196887.41,27293347.33,9567435.481,25089862.7,2680933.606,13572915.22,16685720.5,5515286.082,25895360.67,34991746.42,18888373.63,15187522.47,5119144.214,4865774.825,22799617.33,14025786.2,4503789.443,106165026.2,25132635.75,8321147.647,9955131.975,6110342.607,12943840.79,22114180.63,6223360.631,22073103.17,4256273.123,10539843.73,4947057.479,14946429.85,72246722.79,29567712.78,1745429.034,17894803.03,18588905.21,1977106.2,5722703.177,4378527.256,10219359.7,17312015.13,2945039.055,12991879.1,9378580.193,120924509.2,36719906.15,33544583.86,36127240.9,18554248.35,8713677.648,23240979.5,10625086.38,15059693.3,3927478.965,121446914.8,91140078.52,11507287.57,12453750.39,16778208.48,25385377.41,5703203.727,11515980.39,8497487.342,17925801.3,9284295.75,4681406.8,11151653.65,17072721.05,15741666.36,30756700.33,10841428.82,6454686.708,5163325.592,22715629.24,10009124.39,5642560.477,3282863.276,7504094.188,37612093.21,74804432.12,53784781.93,50247382.17,858772.5,2025719,3131855.5,2587017.583,95.79638,2025719,95.79638,true,true,"TCPP","13674-84-5","C9 H18 Cl3 O4 P",78.3,99.2,98.8,927,928,100,0,false,false,"gc-orbitrap contaminants library-2017-09-18",784,1792,"SemiStandardNonPolar",0,0,false,"NA","TCPP","13674-84-5","C9 H18 Cl3 O4 P",78.3,99.2,98.8,927,928,100,0,false,false,"gc-orbitrap contaminants library-2017-09-18",784,1792,"SemiStandardNonPolar",0,0,"TCPP","13674-84-5","High","13674-84-5","CAS-RN","DTXSID5026259","Tris(2-chloroisopropyl)phosphate","KVMPUXDNESXNOH-UHFFFAOYSA-N","Tris(1-chloropropan-2-yl) phosphate","5.29E-08","Y","-",141,"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",40,"-",13.7721,317.718,3.03389e-08,1.323,0.594,2.208e-05,177.78,-23.932,0.966,1.25026E-3,34.209,132.101,0.000460257,5.74116,2.95801E-4,0.00104713,2.35261e-11,7.93381,3.67982,282.795,4.34596e-07,0.0491101,8.84716,168.207,2.59155,-39.9969,0.0037411,0.00362618,"-","-","-","-","-","Y",1]
[2757182.2907024515,4493,false,0,"Pyrene, 1-methyl-",216.09392,24.499,10644408,216.09337,406484132,2639507,"C17 H12",216.09335,216.09337,78,63.2,98.8,634,865,2243,0,67829.16227,70324.49127,53207.97732,1112316.752,425868.9364,672890.3673,6511741.639,4720319.313,4288070.123,1955467.455,933143.8682,3903826.091,2054351.949,636763.8927,1129637.277,170538.5577,30444.13524,3419735.576,324966.1508,7170275.257,2932268.666,2989855.992,475633.0255,1295856.314,3786350.209,1759381.948,1584582.815,14462969.54,4441116.253,884436.522,892275.0731,7895349.206,4034831.35,457721.1097,1671982.382,392127.5197,957917.2256,828401.1652,4525126.439,6977861.65,306391.9384,62631.28046,5944849.734,2126018.458,496693.9061,1828904.805,3935920.812,2874357.542,0,1375286.872,3507379.144,3722416.203,2375912.623,1010867.769,15997675.34,11525603.66,3366672.666,596623.6705,3601092.03,625329.8868,1509274.151,1004923.862,1624058.212,4107521.1,1208361.006,1413643.437,6909051.042,1189144.186,1049036.179,359690.2732,1719906.552,3784679.879,8924593.123,23997.52365,4130638.199,225581.5629,493990.779,459854.5134,185222.6414,5654615.279,2494590.385,512963.7077,1480057.86,840240.0716,2063106.922,756349.1823,1062159.683,1978928.014,534811.9826,567822.7971,3163401.248,1214703.094,5238275.791,448999.3552,5370769.229,573718.7091,3398625.386,3725562.904,1934529.57,1751872.473,676553.4831,15735334.79,2043412.737,633854.1072,1835441.459,2622693.353,1671982.382,25762928.16,420884.8585,4534038.629,601104.6879,2444218.578,1661947.714,376159.6705,2623526.595,6926449.222,2126454.163,7315534.475,61649.26392,2581824.253,3131096.626,701494.9769,747485.4466,4385837.324,0,1535907.074,6239781.546,522432.9675,793968.8728,3025945.432,4633922.158,1808057.69,4304092.657,817725.8146,11705505.51,8449661.18,393109.0853,1263667.369,3067157.786,2412894.579,751913.1466,2728594.64,1196173.897,316457.3126,5377012.57,2868442.847,1241401.175,2437307.807,487231.119,252533.3215,733905.3848,922170.2395,873450.6912,475893.1185,267364,686663,1485120,1096038.698,127.2770712,686663,127.2770712,true,true,"Pyrene, 1-methyl-","2381-21-7","C17 H12",76.7,63.2,80,571,756,100,0.08,true,true,"w11n17main1",244101,2215,"SemiStandardNonPolar",28,1.2,true,true,"Pyrene, 1-methyl-","2381-21-7","C17 H12",78,63.2,98.8,634,865,100,0.08,true,true,"w11n17_w11rep",16717,0,"None",0,0,"Pyrene, 1-methyl-","2381-21-7","High","2381-21-7","CAS-RN","DTXSID0025654","1-Methylpyrene","KBSPJIWZDWBDGM-UHFFFAOYSA-N","1-Methylpyrene","1.25E-05","Y","-",67,"CC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4",2,"-",526.017,424.364,1.49968e-06,1.211,0.7,7.70903e-07,192.802,148.01,0.956,0.00477529,41.212,121.09,1.03753E-5,"-",1.49968e-07,1.77011E-7,3.30618e-11,1693.19,92.1489,414.084,1.13165e-05,1.28903,8.99914,101501,5.47454,149.56,6.14328e-07,1.25646e-07,"-","-","-","-","-","-",0]
[4659317.405756492,3588,false,0,"Hydrazine, 1,2-diphenyl-",108.08134,8.725,741033,108.08079,715626581,4646926,"C12 H12 N2",184.0995,0,71.3,96.4,100,637,705,1222,0,52563.1485,32121.66421,0,15685561.96,1764157.258,85761.91155,3622049.631,1445091.487,943923.3884,77462.636,1014058.411,2097727.508,2015062.464,155043.2479,26089628.82,1768682.944,61191266.44,126262.0485,1547132.431,474821.79,2112769.433,294680.8119,22344974.39,1222933.071,2893758.298,94710.05444,29419393.2,6453849.999,1655644.845,26437.44263,8182685.986,495740.0423,2977591.528,108885.991,3893806.623,4506704.393,3207089.032,778463.6882,3907938.611,354726.2503,3984063.822,24549.25868,1414787.412,415725.2011,2723413.582,88134.60572,6798541.083,1684294.28,9675819.713,24054328,12146507.12,700137.2706,0,103473.8399,3240256.014,1088123.875,855703.5781,0,1663514.891,236589.6853,2036121.69,45734.0909,2951454.161,693928.2239,4863007.371,1339652.486,1987686.623,1647774.798,299019.1074,15611945.66,2237281.055,1608815.074,3221890.974,16694705.83,2129461.565,1539169.583,11929829.71,6089271.521,25215617.83,909421.7792,1599173.753,7002072.676,3150533.597,932659.9201,1756168.29,56363.08477,324937.2547,1125286.412,50704969.25,10712323.94,653405.5105,3511568.068,946453.6718,3625962.116,272800.9859,5674989.555,1975258.596,0,1795505.719,1120735.575,13889458.44,0,899102.9479,41425213.97,1133841.82,90605.48658,293559.1179,1655644.845,1655536.837,277206.429,20374447.17,2522526.37,1470778.247,93972.39992,149102.452,15809410.84,1644966.647,865341.2744,609111.5989,824527.3166,3023693.15,1638507.47,5493686.146,1979009.306,475935.8178,154152.4104,422176.8301,928843.9512,5092248.983,1514818.016,1973676.877,2436068.198,2719887.469,6361315.437,1433798.983,272817.0154,2000375.118,2033356.776,1666323.043,601635.5263,23642550.6,186409.0584,890952.0016,10390560.75,10034074.18,4109471.853,3278458.683,59199.69794,1622251.25,2371499.977,1058634.785,861978.2972,3373954.368,7842853.631,510128,1079417,3088314,3121821.095,168.7682621,1079417,168.7682621,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Hydrazine, 1,2-diphenyl-","122-66-7","C12 H12 N2",71.3,96.4,100,637,705,100,0,true,false,"w11n17_w11rep",14014,0,"None",0,0,"Hydrazine, 1,2-diphenyl-","122-66-7","Low","122-66-7","CAS-RN","DTXSID7020710","1,2-Diphenylhydrazine","YBQZXXMEJHZYMB-UHFFFAOYSA-N","1,2-Diphenylhydrazine","8.69E-06","Y","-",119,"N(NC1=CC=CC=C1)C1=CC=CC=C1",1,"-",157.036,253.74,1.06414e-05,1.121,0.689,3.1842e-05,121.192,134.574,0.952,0.00267917,"-","-",0.000299226,"-",1.08643E-4,1.32434E-3,5.0136e-11,33.8696,23.9979,309.105,6.6681E-8,0.164826,8.14788,958.288,2.94097,130.888,0.00043233,1.19593E-3,"-","-","-","Y","Y","Y",3]
[8312208.886823842,2638,false,0,"Quinoline, 8-methyl-",143.07355,11.689,3647878,142.06512,1341268627,8709537,"C10 H9 N",143.07295,143.073,83.6,76.3,92.9,653,855,1384,46,98108.54742,1072394.807,144507.7965,6501419.512,191660.3194,4279718.298,18055202.62,13139313.44,8158700.034,3714020.155,6435758.501,0,7896354.061,2797320.898,5189412.862,5193181.345,3047339.464,3539115.742,7026090.169,4987128.404,9933761.593,9141209.339,5299955.006,6304755.841,11421652.03,4001382.889,6750522.571,7422609.125,5802355.423,1562584.778,5186515.949,26178763.63,117050.2384,2162681.298,5998134.238,1931508.459,3303078.737,3128069.573,9239484.026,7096633.325,12960234.36,887156.8447,15980519.94,7851273.17,0,8389516.456,39840399.13,6329916.217,2295150.054,8095374.844,11053083.06,16069418.15,158021.9552,1775367.217,20979656.88,5758849.27,6502337.128,6876228.873,3869493.182,1964432.267,4617941.063,23428063.6,3654276.329,22330741.73,3493321.889,5845861.577,7913205.714,3200462.933,2010538.709,5375197.851,7216076.308,1571800.115,8459021.922,8334265.166,12946729.8,2150222.591,10241607.53,930336.2377,3554401.241,4597685.531,7650654.274,18676556.46,7125713.71,2615864.515,8232597.34,2227926.769,13335068.46,5023983.338,4849112.49,3072485.903,5980925.603,5802355.423,11705704.41,3107073.739,8239868.439,1787724.58,6094201.675,7338908.171,5893289.722,4552345.945,4878452.013,8373226.595,4348992.069,4163861.5,8455523.047,7480849.505,2323526.234,66476398.46,2555563.594,8643478.229,2291343.875,10840534.72,4041072.861,2835382.464,3610417.705,28512647.45,6982412.955,10211274.27,2874920.207,12094774.31,4771839.951,3656855.054,3460933.119,6762352.793,5300007.328,5840301.29,40137071.18,5764409.557,2120571.904,30960436,10687745.61,6035619.77,8221968.339,3390328.807,25268613.54,47062098.38,2651756.559,4258988.853,21277357.84,4671407.688,4358559.036,14453021.53,3434237.39,5991682.451,33933547.06,4787070.022,6800629.123,24891539.96,1481052.59,5202190.04,4221890.698,5991078.995,5716477.937,4630257.76,168602,302278,513891,458959.396,115.3108186,302278,115.3108186,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"Quinoline, 8-methyl-","611-32-5","C10 H9 N",83.6,76.3,92.9,653,855,100,0.33,true,true,"w11n17main1",51560,1338,"UnspecifiedColumnType",46,3.3,"Quinoline, 8-methyl-","611-32-5","Medium","611-32-5","CAS-RN","DTXSID8020888","8-Methylquinoline","JRLTTZUODKEYDH-UHFFFAOYSA-N","8-Methylquinoline","6.86E-05","Y","-",71,"CC1=CC=CC2=CC=CN=C12",1,"-",36.5595,253.162,7.36207e-05,1.082,0.504,9.35406e-05,109.018,15.493,0.925,5.70164E-3,39.186,139.967,0.000400867,4.96592,0.0130617,0.00475335,5.3927e-11,13.6366,4.76872,248.801,4.47338e-05,1.33152,5.74243,1384.52,2.59921,-24.2992,0.0238693,0.00668258,"-","-","-","-","-","-",0]
[1531801.9655186082,5298,false,0,"Phenanthrene, 2,3,5-trimethyl-",220.12514,23.418,1530924,219.11693,218322111,1417676,"C17 H16",220.12465,220.12459,90.2,95.8,95.8,592,592,2156,14,26547.77759,17914.31556,6275.444755,154414.6325,68998.99212,361263.3225,563819.7964,964961.3657,594110.6559,571932.4084,4413732.769,328392.2803,279894.5517,181888.0512,787157.9298,306170.895,91293.17256,390287.0077,0,312733.2405,277389.8603,11651172.18,399610.1757,138847.2607,32264.41617,57324.81129,2655528.341,2853190.474,372283.9478,92656.94594,0,0,320562.7604,20469284.34,118157.7991,211615.6768,266696.705,308684.535,16980174.4,2733580.138,949110.9375,1158561.383,0,948350.7311,1724813.359,263058.5742,983666.482,366689.4143,93348.60999,4578844.234,422538.7254,218546.0917,114166.7524,274436.1065,0,2666783.327,411885.4314,92356.91746,10330561,173427.7819,0,246794.5274,662025.0709,578341.7628,710166.5628,163814.2849,1509352.332,94214.49078,43930.49898,43704.77792,417091.8172,793857.2717,6046812.814,272479.1905,407359.6821,0,420624.3092,55472.81701,149129.9765,902399.844,943533.1319,91642.42185,430287.1708,249230.9196,200916.6116,68107.13518,319296.5147,951378.2275,671132.73,3540102.184,970591.3955,289024.801,909344.4981,63751.24998,1058980.973,2508995.5,56187.54236,12114583.4,794346.8779,147475.4154,320562.7604,313201.6521,353845.3251,522813.1508,0,560519.1337,225965.7653,614354.273,57189.2834,247081.1158,280228.6142,780024.2321,108762.0637,225194.7624,36153518.99,680446.3912,0,23030386.56,106053.6334,519232.5935,793404.6348,0,220499.024,470422.3101,99349.66996,0,9034558.606,6325933.11,225048.9851,915344.7733,1671594.343,187716.8786,730873.6516,1757907.873,662394.0811,175058.4265,45694.35667,94604.96341,966185.1301,400331.6638,0,435344.5294,1287928.166,177684.5389,525328.7152,1618352.126,127800.2051,339854.3596,77237.21297,56464.36841,301271.1613,213924.8908,175607.2545,111294.0556,35975.5,79714,171577,332303.9712,252.2723546,79714,252.2723546,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"2,3,5-Trimethyl-phenanthrene","3674-73-5","C17 H16",89.9,95.8,97.3,581,620,100,-0.29,true,true,"w11n17main1",258593,2122,"UnspecifiedColumnType",34,1.6,"2,3,5-Trimethyl-phenanthrene","3674-73-5","Medium","3674-73-5","CAS-RN","DTXSID70190200","2,3,5-Trimethylphenanthrene","PIRFDOCDTWKNTM-UHFFFAOYSA-N","2,3,5-Trimethylphenanthrene","2.49E-06","Y","-",11,"CC1=CC2=C(C=C1C)C1=C(C)C=CC=C1C=C2",5,"-",580.764,382.224,9.1622e-07,1.054,0.749,9.22571e-07,156.11,115.754,0.908,0.00514044,36.954,120.341,1.18304e-05,"-",4.0738e-06,3.78443e-07,2.14776E-11,751.343,47.5229,365.145,2.65637e-05,2.82511,8.95503,52045.8,5.30763,113.696,3.1052e-06,6.43141e-08,"-","-","-","-","-","-",0]
[3428183.829880729,4229,false,0,"Quinoline, 7-methyl-",143.07355,10.58,6726150,142.06512,482171196,3130982,"C10 H9 N",143.07295,143.073,85.8,77.7,92.3,733,852,1323,15,19144.33961,22198.09305,20792.46831,2529120.373,2060101.3,2531953.224,5853533.773,4243105.045,1971070.075,17204.9005,1668196.821,2451713.164,2762045.973,1697839.97,131871.7244,2359955.108,2225793.355,13290.64781,1971422.061,2814275.59,3272760.532,5174209.494,2895168.732,1996192.537,7274721.318,3245441.338,5092311.284,3863736.416,3983903.01,67303.57993,2478252.232,11117988.18,3677149.221,23021.75059,5042222.014,1965361.404,2013668.075,2490416.769,5483437.229,3430750.909,70539.74111,23887.58444,7156755.447,6618545.409,1094272.541,2419058.343,2773296.412,2907731.355,1809186.36,2207537.125,9869538.486,7939713.458,1725164.142,703567.5945,7687065.4,1951288.59,3119235.87,1907698.299,2912818.655,1415399.024,3627629.789,23898.19945,3064020.492,4601378.459,1765244.802,10590772.34,3608528.187,1344764.28,1658108.677,53362.14783,4544409.779,1354551.277,3909442.694,2453455.272,8490790.388,1956973.72,3869946.637,883109.8844,2880492.925,2490416.769,4881800.944,78294.34088,4244091.998,1710967.36,6446743.715,2286948.965,177470.5931,3756009.387,2845265.602,16761.96669,62512.33613,3172193.217,3376918.04,1795203.041,59608.36516,2042189.363,7903064.631,114599.1087,2933374.955,2996564.542,3377744.081,5881957.277,2169004.646,3738113.538,3795674.757,65375.26157,84097.15213,34509795.61,2055180.272,6838133.328,1864559.718,61758.12459,4650098.95,50157.6328,269308.8699,14720994.49,3178890.495,152393.4349,1524952.414,6397516.35,59232.83468,2414069.655,2941141.62,158895.1641,1819882.57,5132417.148,9234753.706,2585320.418,1474465.677,176009.4427,8713003.441,4225514.631,189961.5518,2357428.257,19997460.03,1120079.021,1639762.307,3138160.209,9400312.564,1525877.927,2447989.708,15484403.92,2532843.829,3741301.633,6813287.659,3008441.843,2398096.843,247860.1052,1053118.152,4303897.873,1511601.888,2645933.81,3218448.465,2284389.853,300924,554558,903872,710956.9735,112.9168679,554558,112.9168679,true,true,"Quinoline, 7-methyl-","612-60-2","C10 H9 N",85.8,77.7,92.3,733,852,100,0.33,true,true,"w11n17main1",51569,1338,"UnspecifiedColumnType",15,1.1,true,true,"Lepidine","491-35-0","C10 H9 N",85.5,77.7,100,722,868,100,0.33,true,true,"w11n17_w11rep",8275,0,"None",0,0,"Quinoline, 7-methyl-","612-60-2","High","612-60-2","CAS-RN","DTXSID5025657","7-Methylquinoline","KDYVCOSVYOSHOL-UHFFFAOYSA-N","7-Methylquinoline","1.12E-04","Y","-",59,"CC1=CC=C2C=CC=NC2=C1","-","-",37.9315,255.734,6.87068e-05,1.08,0.507,8.99498e-05,109.198,33.514,0.904,0.00562341,39.186,138.833,0.000421697,4.73151,0.0105439,0.00548277,5.38944e-11,13.751,3.8698,258.296,4.49491E-5,1.29394,5.74243,1060.15,2.4729,2.84494,0.00881269,0.00590809,"-","-","-","-","-","-",0]
[15116342.467401704,1812,false,0,"4,5-Dihydro-6H-pyrrolo[3,2,1-de][1,5]naphthyridine",158.08424,13.405,150283203,157.07603,2512652739,16315927,"C10 H10 N2",158.08385,158.08369,97.6,97.3,96.1,934,934,1481,0,0,0,0,3757933.026,2169104.032,144932.6794,1405214.495,2427605.668,9799783.658,2824469.93,0,8444961.846,3079339.574,1389893.922,911171.3924,4559008.295,1324330.276,2956475.777,6893229.455,2550911.925,6695554.917,7690258.922,2827468.471,3335838.999,1575898.978,1127782.578,0,875466.7263,872101.8262,108510.8127,58702928.16,6349887.581,20721080.43,4579.201405,4039188.719,2037530.876,0,24595622.47,11364047.55,6978142.998,2687690.927,168534.8063,13048726.83,4788320.891,1443003.139,711862.5606,0,5121583.045,357820.0807,4951488.51,15087548.23,2104016.652,5571205.069,25246550.4,2235781.089,610122.6856,16068709.06,611896.9469,0,26366712.68,3139600.766,6638190.582,85749390.34,6813267.423,552585.9263,66971520.47,1185234.921,832765.9971,81814.6311,979711.9068,20106719.7,1662715.496,4422311.382,12726141.79,0,2199600.596,2138081.091,277159.4509,3030657.161,2095627.427,2182875.94,111475764,60213697.57,4037470.774,87649127.6,335550.2571,11381137.75,385048132.5,2649756.791,11021137.19,2674821.084,8155604.311,950059.2337,4607238.293,327624.3985,0,958850.0225,18610623.25,22802398.66,401186731.5,1472300.966,0,14633486.7,2687690.927,7981376.909,1862747.604,70029.99215,94727018.04,1075359.342,5648523.651,3086007.364,76965.45206,1298343.187,4126232.915,19218.11152,224802586.7,313979.6541,5769531.03,2836048.553,25595273.48,45453.62476,2580631.079,19065124.19,24907.48223,2661033.695,1159763.651,180756.3681,6859350.692,963092.3799,80715.45497,26264322,10847409.4,106819.0852,5736011.282,15391925.37,2714348.16,2223194.447,3136931.92,8314.762262,14174212.95,4756835.312,16362.6915,5145334.987,2216814.991,19442794.12,1146642.827,1623341.551,5074700.913,154226.4184,3436275.629,0,4947446.099,21063390.67,1642979.847,452677.75,1106367.5,3585671.5,6596649.725,298.5075071,1106367.5,298.5075071,true,true,"Nicotyrine","487-19-4","C10 H10 N2",95.8,97.3,97.4,842,845,100,-0.98,true,true,"w11n17main1",80438,1488,"SemiStandardNonPolar",7,0.5,true,true,"4,5-Dihydro-6H-pyrrolo[3,2,1-de][1,5]naphthyridine",0,"C10 H10 N2",97.6,97.3,96.1,934,934,100,-0.98,true,true,"w11n17_w11del",294,0,"None",0,0,"Nicotyrine","487-19-4","High","487-19-4","CAS-RN","DTXSID3075048","Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)-","RYFOJXFXERAMLS-UHFFFAOYSA-N","3-(1-Methyl-1H-pyrrol-2-yl)pyridine","7.68E-07","Y","-",33,"CN1C=CC=C1C1=CC=CN=C1","-","-",34.3558,270.253,6.74528e-05,1.064,0.287,1.54525E-4,118.058,75.346,0.897,0,"-",131.21,0.00114815,"-",3.25837E-3,0.0322849,1.48909e-11,5.77744,3.36389,280.933,0.000137567,2.95574,6.35822,54.6213,2.21526,34.3582,5.73789E-4,0.0586722,"-","-","-","-","-","-",0]
[40249276.58170992,989,false,0,"Quinoline, 3-methyl-",143.07355,10.435,51078177,143.073,6253947700,40610050,"C10 H9 N",143.07295,143.073,87.5,81.6,98.4,744,908,1315,43,501919.3247,702097.649,699127.507,41311034.13,2110301.273,439179.7619,110411422,62393434.26,44139566.89,764531.6825,30733173.23,25548113.42,35294488.15,589741.3887,28071323.28,32642100.41,22678543.03,22415862.6,37318514.53,30475057.16,46987732.68,50335821.84,24546995.31,29764797.69,64628932.61,30980691.21,43610266.9,58400272.06,43064344.26,16990605.56,41398614.28,63642400.58,592360.442,13429526.43,58992865.07,27230389.17,0,147915.6816,60749459.85,88108097.22,1517268.26,184146.3275,227373734.9,91756724.48,2878733.621,30856932.22,42412314.94,57769246.07,4396465.759,31408255.99,93343614.63,100451011,0,17840458.38,106082125.4,37633422.9,613307.9439,19418705.43,23589074.54,15915595.77,40176388.08,0,32875294.74,52230036.67,20147939.44,53799299.81,62424073.69,30305608.44,3994957.079,16100981.38,67200477.14,16965560.14,58318925.89,32349865.47,85082035.94,16490564.22,43397809.77,0,20828515.01,22110585.63,38262892.56,24533877.92,33214257.4,17889471.49,48248707.94,16820635.97,40982189.51,30856932.22,34320128.18,18417249.41,40311662.6,41695790.69,35478306.36,20854540.33,39357250.16,22948613.32,21228898.25,792354.9974,41419248.54,31395186,44004546.92,0,26141912.11,50455529.95,61135884.56,46511492.03,2237171.184,524595896.3,13309076.45,58458922.4,22059623.65,23272522.8,27421938.92,22874881.76,29376222.38,139816973.9,30409174.5,63947888.81,19274311,74750944.96,44227303,31304689.94,25631830.12,433102.2237,23059325.33,32550328.15,145042549.3,37866881.17,12468150.73,64635766.33,79032621.24,38338112.93,1020016.157,18228044.31,151286042.6,157071839.7,13481541.15,23613631.18,0,28084913.92,46075851.56,0,24501369.27,51384185.52,1900339.731,34334543.99,36899492.28,1164488.735,11145291.15,69378388.7,21557917.96,39353901.23,36781727.73,25524934.93,1726447.25,2829892,4312893.5,3756777.59,131.5139018,2829892,131.5139018,true,true,"Quinoline, 2-methyl-","91-63-4","C10 H9 N",87.1,81.6,92.9,723,836,100,0.33,true,true,"w11n17main1",51614,1311,"SemiStandardNonPolar",4,0.3,true,true,"Quinoline, 3-methyl-","612-58-8","C10 H9 N",87.5,81.6,98.4,744,908,100,0.33,true,true,"w11n17main1",51528,1358,"SemiStandardNonPolar",43,3.3,"Quinoline, 2-methyl-","91-63-4","High","91-63-4","CAS-RN","DTXSID3040271","Quinaldine","SMUQFGGVLNAIOZ-UHFFFAOYSA-N","2-Methylquinoline","9.22E-04","Y","-",95,"CC1=NC2=C(C=CC=C2)C=C1",1,"Y",36.3078,251.896,7.67361e-05,1.08,0.488,1.01859E-4,109.248,21.06,0.892,0.00578096,39.186,139.156,0.000476431,4.66659,0.0104472,0.00827942,2.4555e-11,11.8887,4.56354,248.933,4.47694e-05,0.944888,5.74243,1061.13,2.59009,1.32524,0.00944466,0.00431882,"-","-","-","-","-","-",0]
[9959711.499740992,2472,false,0,"Quinoline",129.05785,9.574,4458962,128.04951,1499756362,9738678,"C9 H7 N",129.0573,129.0573,71,48.7,97.5,576,979,1268,0,18298.30155,48084.0184,80369.98225,9013847.547,5049523.285,7337152.704,20464033.53,13986234.08,6947599.863,5613651.637,7226687.371,6742577.169,155447.8375,3449436.353,7772702.955,7281865.598,4970477.266,7710420.385,7292041.879,7411209.74,11645180.16,13348072.02,8449042.59,7888876.649,13212755.1,6636346.444,10944175.59,10412900.56,8435933.624,3620940.529,7414104.725,12272056.22,7374181.222,3342291.62,9960597.71,4654557.353,4712607.485,4153391.803,13992038.13,8282468.98,6511210.038,2237648.788,24668823.88,11091082.96,15201.0731,5133923.074,9540653.571,8103860.338,5267696.276,6080929.274,26683534.3,15234295.9,5661330.153,3314370.206,26724137.22,7717497.405,10243182.85,3915292.196,7565562.56,3728168.911,29035.88619,4203811.489,7656200.049,8869816.705,5673164.805,8172789.228,14627488.98,4495305.644,7182799.884,3231538.91,16280035.72,3304284.975,11582455.18,6810463.186,16994674.29,18061.99772,9666492.278,2048544.597,6692429.422,5905873.062,11080027.5,5918503.882,9557121.717,3800848.038,8453037.8,4544107.438,13098538.64,8226388.123,6764113.333,5188412.704,11434052.56,4853772.176,16698482.68,4104338.385,9767737.036,3678354.992,12132642.92,10711881.37,7928191.744,7326527.886,10797861.67,13053385.55,6641970.931,9489493.085,9354388.275,7315398.738,73324667.35,88814341.6,4042278.138,13781936.94,4291830.23,7374181.222,6549336.018,5630552.418,7624844.036,31044329.53,6845501.637,12784073.81,3233934.244,19575040.74,9761796.157,6229773.851,6073213.584,11325577.51,4864931.325,7362851.755,28845494.43,6425043.787,4668270.466,17366731.61,14418933.99,12026461.31,15130273.34,5010752.612,25953333.75,28333146.39,3239135.774,5081023.125,18358302.72,4924615.072,5571562.533,29563604.7,7315402.888,4712192.161,21880551.82,143007.947,7385510.689,19491784.78,2969086.634,9279906.72,5106715.847,9402864.371,6727934.471,69126.28138,1301390,1934794,2997375.5,2605686.768,103.8350505,1934794,103.8350505,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Quinoline","91-22-5","C9 H7 N",71,48.7,97.5,576,979,100,-0.03,true,true,"w11n17_w11rep",5974,0,"None",0,0,"Quinoline","91-22-5","Low","91-22-5","CAS-RN","DTXSID1021798","Quinoline","SMWDFEZZVXVKRB-UHFFFAOYSA-N","Quinoline","3.75E-05","Y","-",166,"C1=CC2=C(C=C1)N=CC=C2",5,"Y",17.1396,239.117,9.88553e-05,1.102,0.468,0.000146218,103.753,12.595,0.888,0.00465586,39.481,141.384,0.000826038,3.19154,0.0293765,0.0323594,1.16677E-11,3.81323,13.7434,237.234,8.66445e-06,0.0472569,5.20741,1254.8,2.03132,-12.609,0.0595784,0.0479786,"-","Y","-","Y","-","Y",3]
[1822054.7873659532,5082,false,0,"Lepidine",143.07355,10.835,1967467,142.06512,258800456,1680522,"C10 H9 N",143.07295,143.073,83.7,75.9,90.5,667,825,1337,1,0,0,0,1076270.097,531927.4685,3960851.685,1831824.233,2391969.485,1138624.376,904652.4349,922433.5043,848732.2598,1044581.721,364711.4315,605204.7605,1048630.052,585939.857,845203.4781,1118723.543,176771.5954,1208967.251,1775226.565,881039.9394,3263146.293,1611639.063,563782.1007,680456.3414,1402252.206,1261416.191,456516.3357,948296.419,1337969.88,983507.6126,368742.363,994774.6106,444825.9859,2299682.173,528059.8752,1560772.649,1117523.284,8242.222167,37482.69507,14760622.84,1445311.467,5159.052982,624073.1505,899222.5604,1128945.83,28084.17264,819827.5547,2707642.98,2170170.704,536247.2891,497166.5235,2672726.605,689735.6242,1319172.462,2037320.431,720982.6965,340387.9806,1067792.665,2547480.87,4547500.02,1134216.387,675692.1233,1110310.75,1663450.413,551179.1178,253280.9316,426032.4007,1254641.387,335564.4171,1488885.898,4525678.901,2802631.724,2002332.193,1002499.565,1071373.741,578036.5721,800412.9293,1310154.911,820299.4604,6483521.543,629632.3556,1202402.252,378436.2779,1655836.162,4875480.254,862180.873,685587.6364,1713538.601,700434.2864,1728985.837,528242.546,1279478.835,598851.2813,1093923.009,110444.7961,683609.483,825267.9433,828921.8571,1480318.1,954057.9069,849135.9806,1019815.757,1053032.773,5384449.455,8263166.585,506487.0589,133225.0591,533811.6147,983507.6126,3688831.831,550094.6308,907373.1234,5555831.422,1317984.11,19471221.89,434964.3212,2625125.578,1245474.761,600036.0081,967682.8617,120114.7103,809035.4729,869017.4409,177867.8401,796409.7603,464489.8713,2595626.25,11109014.46,1830210.45,2039236.137,700936.8225,4156212.837,18193986.19,557458.644,854208.778,3533632.787,937645.9898,881112.1656,15664576.1,999332.3635,829219.5691,2552229.46,871488.8291,1277491.365,2583229.976,1561956.668,1153587.63,0,1447597.604,914295.6325,755025.4801,141376.5,238483,406225,417989.4333,144.9403976,238483,144.9403976,true,true,"Lepidine","491-35-0","C10 H9 N",83.7,75.9,90.5,667,825,100,0.33,true,true,"w11n17main1",51592,1338,"UnspecifiedColumnType",1,0.1,true,true,"Quinoline, 4-methyl-","491-35-0","C10 H9 N",83.4,75.9,100,650,801,100,0.33,true,true,"w11n17main1",51589,1394,"SemiStandardNonPolar",57,4.3,"Lepidine","491-35-0","High","491-35-0","CAS-RN","DTXSID7047067","Lepidine","MUDSDYNRBDKLGK-UHFFFAOYSA-N","4-Methylquinoline","1.12E-04","Y","-",79,"CC1=CC=NC2=C1C=CC=C2","-","Y",35.7273,255.557,7.72681E-5,1.081,0.504,8.8308e-05,108.709,18.442,0.882,5.70164E-3,39.186,139.745,0.000399025,5.01187,0.0107895,0.00458142,5.39056e-11,13.766,3.82022,260.186,4.47691e-05,1.2553,5.74243,1377.02,2.60835,-10.8326,0.00661286,0.00590809,"-","-","-","-","-","-",0]
[13852478.147808606,2057,false,0,"2,3-Dimethylbenzocyclobutene-5,6-dione",160.05247,12.546,19819425,132.05704,2059194707,13371394,"C10 H8 O2",160.05188,160.05193,87.9,86.1,95.5,670,852,1432,46,908512.0782,150373.2705,328554.6775,8948701.306,3763783.753,6735898.804,27145664.98,34368244.02,30252259.71,10806879.85,9420197.436,5747587.734,2935227.646,2847644.515,6969996.559,7613093.273,6236199.114,2643580.491,4998536.764,0,15520749.35,58459051.31,15078024.77,9325678.589,3646766.43,12634627.08,4561144.917,29959243.9,3054791.756,8935806.385,14268691.98,7291544.916,5062435.832,9245464.512,6131180.661,16197702.33,39806630.45,5654889.846,18965895,5559512.905,190639.673,6985278.832,4719394.063,20784406.98,0,28402193.34,3626828.954,5464154.911,5658401.131,7873573.865,59105581.09,16522647.17,255050.2876,23406694.25,8063157.449,0,479508.7349,18278967.05,8213954.508,1146414.154,4634923.757,3553654.46,19732999.62,8047865.655,4439381.902,91952907.35,58219366.75,33341788.44,2941347.265,4494425.758,6709515.967,11698362.64,4111849.463,20062191.11,4649886.114,39328386.13,4949435.665,3140936.329,8666308.929,5140288.962,2703129.468,2138431.672,658687.7433,13195596.96,9558956.307,2712916.001,9570439.314,20628145.36,7291544.916,7307852.27,15469237.6,8004668.261,2754909.028,3683876.849,1602006.672,16936040.61,1563162.724,5017215.093,14395306.09,1034483.187,5315232.517,15258996.78,15578872.21,31947935.39,12300420.78,697648.3233,8788852.65,8281453.255,2043132.259,12365056.43,1574868.393,1816324.322,66274517.83,2393910.016,4086022.27,9180952.037,94960701.83,6292938.682,12460830.55,11340633.39,16356964.47,5333456.388,3651235.967,3361340.508,4341349.478,4346677.881,14894801.4,19342055.26,3257465.094,19729530.65,81242842.24,3739154.616,13905681.05,7172731.96,2878683.909,2584910.662,187910822.8,1724335.663,42730558.5,34750545.05,1994406.05,28266570.79,9903178.182,5305961.07,11167792.13,7133802.382,5425338.155,19100987.69,1364118.558,10950977.33,2490317.288,7410357.872,14694569.12,4288776.534,481359.75,972402,2020985.5,1846504.601,141.7000601,972402,141.7000601,true,false,"Propanedial, (phenylmethylene)-","82700-43-4","C10 H8 O2",87,86.1,94.7,627,703,100,0.28,true,true,"w11n17main1",83705,1454,"UnspecifiedColumnType",22,1.5,true,true,"2,3-Dimethylbenzocyclobutene-5,6-dione",0,"C10 H8 O2",87.9,86.1,95.5,670,852,100,0.28,true,true,"w11n17main1",83635,1386,"UnspecifiedColumnType",46,3.2,"Propanedial, (phenylmethylene)-","82700-43-4","High","82700-43-4","CAS-RN","DTXSID00342573","2-Benzylidenemalonaldehyde","XMXUYXIFVYQLKJ-UHFFFAOYSA-N","Benzylidenepropanedial","5.69E-06","Y","-",4,"O=CC(C=O)=CC1=CC=CC=C1","-","-","-",257.36,5.16416e-05,1.091,0.743,6.39735e-06,112.592,94.461,0.865,0.0128233,"-","-",4.03645e-05,2.39332,0.0222331,0.00792501,4.34587e-11,7.08857,4.0952,292.711,5.18468e-07,0.34581,5.74185,147.929,1.49939,72.4196,1.23638E-3,0.00581506,"-","-","-","-","-","-",0]
[6221304.748761208,3171,false,0,"Phenanthrene, 1,2,3,4,5,6,7,8-octahydro-",186.14087,16.265,5724949,158.10909,933269168,6060189,"C14 H18",186.1403,186.14032,90.4,95.3,100,611,717,1653,0,940760.1095,221514.0769,51206.93678,3874894.767,7014.343322,3804805.943,3854387.723,5803616.695,3263823.703,8988978.051,157407733.7,2486386.494,2548449.678,5881793.857,8867835.002,5225311.595,6500332.324,4691984.86,1225590.643,7251510.243,20284.55858,9108697.196,5376672.144,398951.9007,3483731.861,4308940.632,11680428.91,1775749.957,2698261.255,4500462.746,12196307.18,40063.67236,46209.27855,8907575.683,4682773.59,8344369.347,2046721.325,5605849.584,12707313.84,33317.04505,0,3717583.187,9076479.132,11174614.18,1979690.957,5982468.578,9654969.195,8613476.916,2302426.535,4504335.772,42655503.43,1206490.704,1870501.2,5948768.731,1762255.545,122481.4031,931968.1497,13778841.55,14014138.38,1733381.484,9930956.023,3126295.015,16234861.99,55244.25768,6905828.603,8757444.655,10775275.67,669469.45,4496589.72,5063104.365,979572.5264,20544.06892,498373.4306,491899.1961,4054907.285,4933261.464,20895.71456,1634551.314,7090967.866,4500462.746,255632.8924,5764790.256,6797403.769,3551214.648,4400174.072,5047422.162,4672564.219,5265343.632,477734.9084,4065856.667,13140626.78,5124217.478,1130685.656,3078275.209,11353389.68,6446824.79,472696.2752,5431323.925,5288388.072,303351.4376,4569504.88,8590458.09,154006.8173,5531247.854,5446257.452,4872379.343,12503444.26,660423.3561,4353453.901,3697650.655,2039736.918,7719132.279,3466460.395,6234339.432,9935484.89,6034796.983,5414381.685,3849362.355,6842236.502,6982260.611,17196475.06,4887191.636,2895584.786,3278620.531,2869662.183,3368866.033,7558739.651,4857721.572,4832282.577,10524504.7,27718.8621,2767419.592,10346993.45,4862933.126,769579.9031,3543223.323,2629570.219,5895655.985,7445833.648,3971384.823,3478029.328,7389476.768,6544985.649,497512.7233,4168642.915,739995.6949,2509025.609,8350337.245,437830.661,3745290.464,13882764.4,776782.9624,20456424.11,27009.97052,639610.5,1709981.5,2507014,2343778.08,272.6229169,1709981.5,272.6229169,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Phenanthrene, 1,2,3,4,5,6,7,8-octahydro-","5325-97-3","C14 H18",90.4,95.3,100,611,717,100,0.1,true,true,"w11n17_w11rep",14284,0,"None",0,0,"Phenanthrene, 1,2,3,4,5,6,7,8-octahydro-","5325-97-3","Medium","5325-97-3","CAS-RN","DTXSID50201363","1,2,3,4,5,6,7,8-Octahydrophenanthrene","YSZLFGZFQTTZIQ-UHFFFAOYSA-N","1,2,3,4,5,6,7,8-Octahydrophenanthrene","3.92E-06","Y","-",20,"C1CCC2=C(C1)C=CC1=C2CCCC1","-","-",638.263,288.432,9.8628e-06,1.013,0.774,2.89068E-6,129.407,43.664,0.86,0.0236048,34,125.69,5.09331e-05,8.72971,0.00230675,3.6141e-05,1.84445E-11,192.923,97.7634,294.477,0.000576981,5.744,7.43474,10538,3.80253,47.4005,8.53212e-05,2.42695e-06,"-","-","-","-","-","-",0]
[5068720.664799933,3562,false,0,"1-(2,4-dimethylphenyl)-2-phenylethne",206.10963,21.946,23871396,206.10909,731604432,4750678,"C16 H14",206.109,206.10909,96.3,95.5,99.6,903,975,2042,0,56462.16286,0,0,5140376.873,2062792.849,2232622.946,6585165.14,17461900.09,3193623.787,3658668.89,17180561.56,8069171.499,3496460.899,1477612.234,9709705.321,4170939.236,2500128.095,3120575.259,3391632.039,7837301.592,6673130.815,3148983.846,6040039.607,2913043.463,3515595.7,1325821.27,1970319.621,37209834.24,7528566.948,1446348.155,7737184.348,8649484.185,0,1412085.788,3506028.3,2433303.099,3374328.616,2365299.49,8563454.464,29457816.5,9392576.479,623202.5947,12046197.02,5901188.074,370520.3869,2245853.957,13382083.83,7097635.68,0,1766006.106,0,8930642.823,1307292.814,1518181.513,18816814.37,9040582.542,6860436.621,894661.0569,12866782.52,3507724.545,1537130.81,1455370.521,2788581.958,5606067.931,5251851.011,1651025.019,5040584.657,3095770.006,4269929.991,369814.6928,3504332.055,9433738.846,35872477.35,1567709.903,3632050.996,1078113.034,1947641.389,724772.5143,2732888.628,6939525.399,9732732.468,2393791.069,3471321.04,4289488.782,5019507.358,1131992.238,2134023.1,7121945.89,4948692.286,584007.9483,5235305.184,5504871.011,6399743.059,1505535.58,3506028.3,6212477.738,3560433.462,4525301.589,3308523.315,5170302.707,1234315.238,4103484.259,2623217.235,2711959.983,6584632.55,2108396.892,3328876.412,9431787.948,864863.8533,2377009.982,582590.8654,4720003.965,3661219.16,1047990.631,4512836.866,12041940.27,566251.1703,8818396.314,2648604.728,7330128.231,6236570.339,2178336.627,1870074.788,0,3969604.414,1658280.078,16577385.03,3591948.83,1510429.426,4068236.413,11525677.61,2136857.566,7799865.831,1243807.406,12599199.73,5134358.323,1300642.401,1241833.659,4729884.781,3420107.769,3834662.606,3062716.588,5048451.189,31288.80889,13040708.28,5818096.586,1811312.487,1000088.001,1785791.307,1281367.552,0,5140438.537,5266438.644,2780161.693,1197415.25,2342491,4092518.25,3260405.247,102.5218291,2342491,102.5218291,true,true,"Phenanthrene, 2,3-dimethyl-","3674-65-5","C16 H14",93.8,95.5,95.2,776,823,100,0.4,true,true,"w11n17main1",211810,2058,"SemiStandardNonPolar",16,0.8,true,true,"1-(2,4-dimethylphenyl)-2-phenylethne","78594-13-5","C16 H14",96.3,95.5,99.6,903,975,100,0.4,true,true,"w11n17main1",211690,0,"None",0,0,"Phenanthrene, 2,3-dimethyl-","3674-65-5","High","3674-65-5","CAS-RN","DTXSID00190197","Phenanthrene, 2,3-dimethyl-","QVRDLHPBZKOROD-UHFFFAOYSA-N","2,3-Dimethylphenanthrene","1.93E-06","Y","-",11,"CC1=CC2=C(C=C1C)C1=CC=CC=C1C=C2",3,"-",493.174,369.945,1.36773E-6,1.094,0.741,1.02094e-06,156.689,120.698,0.86,0.00647143,37.328,122.758,2.208e-05,"-",9.24698E-6,7.14496e-07,3.08151e-11,1011.48,40.8598,347.341,3.25215e-05,4.09172,7.87102,24038.8,5.31986,156.864,5.48719e-06,3.20683e-07,"-","-","-","-","-","-",0]
[5126327.367897616,3475,false,0,"Phenanthrene, 2,5-dimethyl-",206.10959,21.862,26743160,206.10904,773537372,5022970,"C16 H14",206.109,206.10904,96.3,97.4,100,866,922,2036,27,1399.780451,23481.28175,2675.261528,4569335.898,0,4261598.974,9993728.433,4229235.244,8978522.206,6028058.708,301874.7138,1866027.432,4554043.407,2313985.604,8631060.753,3707592.429,2222390.563,5093099.732,3014857.94,1669780.852,1877128.099,6488235.543,5369055.71,4218122.683,1906161.63,1010845.251,2871672.549,27594362.72,1602032.163,1828016.994,5737802.269,8303766.454,3962857.556,2057866.431,4220509.322,1804508.127,2502361.262,3211138.021,11898695.65,21845560.18,2226619.23,17408.66069,16170335.17,7007530.559,6316848.958,2725968.627,7483260.371,5495830.687,2089761.549,2425375.134,8922687.766,1876420.234,3859109.661,2459277.589,14570207.68,13226936.53,5669952.371,1321955.85,6951651.72,301427.6268,1858976.84,1652654.714,6212609.727,4340882.17,4066605.452,2510026.692,8059892.545,708557.4396,3306285.83,689737.171,4466398.869,7304718.611,11230067.32,3396264.079,6136263.704,974946.6151,982669.4678,50568.85313,2471373.996,1911177.047,1825991.93,4694560.813,6956144.462,3879020.507,4539182.399,1184545.352,3557335.089,1939063.842,4475143.738,2229939.386,7761066.014,1441773.556,5787341.063,3080034.802,6702634.316,5617995.471,3356705.353,8608004.614,47996.38084,4675547.891,2178366.277,7318213.482,4720956.852,4772520.448,5954538.173,3962857.556,8819406.664,14852102.88,1348915.868,4879585.848,1981135.247,5455498.932,803706.6607,1897310.429,8414456.987,11836059.18,0,16147030.39,163664.2094,4268419.325,3369018.473,43343.68868,1973259.701,8278611.181,133554.672,2865037.485,46951847.11,3530537.268,0,9138084.856,19621047.75,4985675.91,5116619.919,2061564.039,11615100.82,6663533.836,1278405.314,2473933.028,7987368.56,5519394.236,2523042.298,6158822.495,9573995.465,2080997.419,8315602.898,9214213.705,3657295.787,4651960.407,1755259.627,1259460.006,3273919.737,5052552.441,2889836.157,2732629.258,1434542.75,2847111.5,4720656.5,3700137.378,95.55227868,2847111.5,95.55227868,true,true,"Phenanthrene, 2,5-dimethyl-","3674-66-6","C16 H14",96.3,97.4,100,866,922,100,0.18,true,true,"w11n17main1",211694,2009,"UnspecifiedColumnType",27,1.3,true,true,"Phenanthrene, 4,5-dimethyl-","3674-69-9","C16 H14",96.2,97.4,100,860,904,100,0.18,true,true,"w11n17_w11rep",16131,0,"None",0,0,"Phenanthrene, 2,5-dimethyl-","3674-66-6","High","3674-66-6","CAS-RN","DTXSID60190198","Phenanthrene, 2,5-dimethyl-","ANBPQRLLOPVKIG-UHFFFAOYSA-N","2,5-Dimethylphenanthrene","1.88E-06","Y","-",13,"CC1=CC2=C(C=C1)C1=C(C)C=CC=C1C=C2",4,"-",505.825,369.74,1.41254e-06,1.094,0.735,1.03753E-6,155.594,119.779,0.86,0.00657658,37.313,122.725,2.208e-05,"-",8.87156e-06,6.32412e-07,3.08076e-11,1011.48,28.5602,347.341,3.26799e-05,1.95751,7.87102,24130.4,5.33164,156.864,5.29827e-06,3.20176e-07,"-","-","-","-","-","-",0]
[3376028.918879074,4134,false,0,"Phenanthrene, 2,7-dimethyl-",206.10963,22.113,4389955,191.08546,511381984,3320662,"C16 H14",206.109,206.10909,89.7,84.9,94,785,852,2055,0,196720.6004,187615.5883,70981.07454,1687643.716,884754.9805,2449223.707,4675359.284,8339581.827,5085903.683,2788618.65,8093584.374,2882791.696,2556359.983,1596679.871,3300892.306,3505126.377,985511.7524,2794742.876,1335854.448,2136343.577,2370877.859,3991198.848,1638547.795,1234122.76,1183679.947,939571.5463,2111161.069,8962551.444,2423711.462,951120.1958,2393911.839,5622878.033,3698603.949,1016314.592,2410050.783,1420505.656,944986.2933,1847303.331,9535049.015,6009164.094,4751464.406,451199.254,9351181.739,3262634.328,2292647.258,1250325.339,6245653.965,3557583.968,1586637.617,1636231.529,7409699,7215408.784,1922862.435,1930563.908,11159817.32,9018291.155,2738036.44,817987.8619,12591834.38,2136432.412,1247844.813,1374893.046,5095519.266,1757060.965,2288658.824,2297922.448,7266371.129,2680048.146,1939447.549,714329.6569,2522179.119,7693816.558,10512732.99,2277282.465,2656295.519,479016.7509,1267527.702,534186.415,992807.297,3502191.254,2871906.938,0,3775307.194,3161912.87,2366464.402,1026237.652,1808115.216,7326563.959,1686477.577,930659.4056,4163901.541,2692491.78,14567727.25,1697773.493,3246932.775,2876763.439,1231357.783,7429565.852,960689.2514,4865309.176,885171.6128,3924556.007,1803902.895,1633630.796,2965784.93,1833671.716,7348830.108,6037146.08,1083287.175,2410050.783,85642.53394,3510093.845,3180962.904,639032.2451,3329754.328,5202144.533,8193664.966,4708709.975,1026707.362,5437669.185,2287068.011,702139.582,2745586.773,4101671.543,1066754.082,2074083.128,21639758.51,1425094.727,753745.599,4053597.329,11863487.76,2298539.012,2665696.901,647144.0152,6023698.294,9048667.844,580964.4061,726742.0228,4792232.208,3071287.673,2464273.768,2821689.767,2425845.79,1307380.228,4147997.025,2377428.207,1121504.385,1903416.112,665526.5587,332882.2324,751239,2394255.776,3481899,859589.3167,534916,982197,1667448.75,1379677.767,92.38215677,982197,92.38215677,true,true,"Phenanthrene, 1,7-dimethyl-","483-87-4","C16 H14",88.3,84.9,92.4,714,762,100,0.4,true,true,"w11n17main1",211785,2051,"SemiStandardNonPolar",4,0.2,true,true,"Phenanthrene, 2,7-dimethyl-","1576-69-8","C16 H14",89.7,84.9,94,785,852,100,0.4,true,true,"w11n17_w11rep",16129,0,"None",0,0,"Phenanthrene, 1,7-dimethyl-","483-87-4","High","483-87-4","CAS-RN","DTXSID1074755","Phenanthrene, 1,7-dimethyl-","NZCMUISOTIPJAM-UHFFFAOYSA-N","1,7-Dimethylphenanthrene","2.41E-06","Y","-",18,"CC1=CC=C2C(C=CC3=C(C)C=CC=C23)=C1",1,"-",518.8,370.17,1.39637e-06,1.094,0.734,1.04954e-06,156.052,120.034,0.86,0.00683912,37.312,122.876,2.20293e-05,"-",8.60994e-06,6.68344e-07,3.08065e-11,1011.48,36.1786,347.341,3.2418E-5,3.17052,7.87102,23987.2,5.32157,156.865,7.32886E-6,3.20393E-7,"-","-","-","-","-","-",0]
[26038176.803109083,1339,false,0,"3-(phenylmethyl)-1,2-oxathiolane 2,2-dioxide",129.03728,27.453,924511770,117.03673,4069495080,26425293,"C10 H12 O3 S",212.05017,0,68,89.9,96.3,601,682,2497,0,880468.7912,211151.3484,671010.128,13982412.3,8710123.308,5344748.179,0,48068438.18,47004105.41,19663069.06,604924768.1,20632424.94,28461943.42,2684965.459,44757940.06,7902418.018,2933857.589,14326857.12,32334598.27,8524921.847,32759746.03,5086441.067,8130180.908,11182150.76,11961766.83,1495434.162,5157443.085,59534520.93,19356293.36,1630234.63,18783768.8,38731164.98,7764321.543,5708615.02,14700840.06,6197226.824,3155777.292,6439436.128,23067676.68,44082069.94,19903684.91,44512.12697,43108163.68,11571958.8,11027469.3,7578342.254,83401769.45,68550575.15,7079538.929,4546378.055,4798799.848,25451139.3,8792712.834,5084683.839,10647989.27,81526138.6,20530268.93,4381086.422,16051295.34,2221804.583,5984432.064,15062523.08,16715147.91,41511399.46,4653199.809,3243066.68,54569797.6,28112120.5,3179969.276,1483796.425,12495928.33,12593233.76,9849409.762,21428090.22,17463920.93,4633571.749,5843353.232,4514533.884,10407701.97,11571958.8,5276254.739,11448858.41,116302784.5,3975794.806,18042343.45,2068922.019,211370390,9330761.865,12003044.51,7545986.288,91988588.31,80089176.45,5313500.484,15438004.05,13612701.05,26856540.26,6325274.761,22616637.72,99751989.08,3501108.094,7678306.513,13814408.82,8290901.201,10400793.54,212793962.8,0,19637470.77,112753258.7,3601829.911,22219470.72,5370875.652,27435810.32,48274218.04,6986272.021,13183906.83,62199139.75,67867320.75,1588557.696,21846853.53,28630765.74,6722493.169,8055439.914,9837877.09,7889233.969,26414378.46,2183764.017,28335990.59,5797133.328,15466390.2,0,3353299.059,12142306.02,0,3816320.765,13749463.38,150776859.9,3354333.566,9785077.471,0,23603322.63,13252369.85,33820345.57,18879629.44,11001611.57,5828348.423,18106261.96,13303402.16,5187682.496,1328642.716,1962761.394,987789.4015,23212049.25,23151263.29,16227904.72,7943309.25,16818177,34110887.5,37528237.36,226.6748788,16818177,226.6748788,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","3-(phenylmethyl)-1,2-oxathiolane 2,2-dioxide","75732-43-3","C10 H12 O3 S",68,89.9,96.3,601,682,100,0,true,false,"w11n17main1",228437,0,"None",0,0,"3-(phenylmethyl)-1,2-oxathiolane 2,2-dioxide","75732-43-3","Low","75732-43-3","CAS-RN","DTXSID80300792","3-benzyl-1,2-oxathiolane 2,2-dioxide","YMDYPJRCONIRKH-UHFFFAOYSA-N","3-Benzyl-1,2lambda~6~-oxathiolane-2,2-dione","4.21E-06","Y","-",2,"O=S1(=O)OCCC1CC1=CC=CC=C1","-","-","-",296.834,0.000358922,1.374,0.817,0.000190985,172.993,56.031,0.855,0.00325087,"-","-",0.000961612,33.1894,0.000162555,1.24165E-3,1.26459E-11,2.2553,7.0996,282.036,1.05528E-6,0.239337,6.09376,160.878,2.45448,31.4694,0.00256421,5.52069E-3,"-","-","-","-","-","-",0]
[1018537.8820788085,5633,false,0,"(2E)-2-methyl-3-phenyl-2-butenenitrile",157.08914,12.454,10035808,156.08069,158294815,1027888,"C11 H11 N",157.0886,157.08859,82.2,66.1,100,789,966,1427,28,0,0,0,415550.3848,125702.5387,311163.2098,3856058.892,1106176.199,911007.4006,887804.7391,1159115.022,544269.2931,440526.9646,204371.4425,298937.1102,669492.3307,175766.7157,548679.2869,620743.8294,111050.5883,2223605.324,1035980.058,487104.719,329764.5494,715564.6011,306968.1648,468347.4825,1243853.48,515687.0061,201215.1498,742861.2732,609589.6297,402253.2538,100377.9413,602530.5869,266946.4604,160513.9043,119106.2287,840921.843,1341421.477,272955.4991,632961.4246,7604824.11,1015183.965,156389.2637,275851.3369,594722.0329,2156114.382,217383.6806,257017.0767,3469600.167,833897.7535,330965.4644,715897.1808,1598084.46,3259393.588,2595431.663,380985.6067,671630.0029,479360.8403,552013.1719,341707.4825,296264.7055,344417.0021,456033.355,554471.1042,1249456.038,398337.5109,238451.454,347615.9736,2393547.289,197111.8382,2619832.172,415484.4463,4528516.71,153146.4998,762260.0136,110496.9467,161664.8274,429043.7899,2524337.617,250648.7739,886364.5664,468742.0923,3494437.586,371621.0918,539644.5009,629094.1803,517991.5395,493725.1648,1140992.582,423824.2027,1455273.022,581987.5872,521654.6617,294734.1358,413445.3565,466575.107,820539.3707,507422.0565,589017.0174,615177.6944,1222681.655,447639.3232,1768310.703,2426067.97,415436.1838,24217648.87,294109.1367,3136491.667,463003.6835,266802.2258,515687.0061,259217.7772,253504.5481,1350195.745,1421443.238,573045.0087,431868.2275,571694.5744,467504.8658,398716.5171,367685.5363,427784.6948,922794.5866,431571.7121,2658154.161,886967.7916,365252.1763,0,2256388.693,287600.5956,339361.8701,225409.7144,0,776773.6463,410225.8266,225226.0038,4916992.329,897954.9762,705619.6204,750538.4798,528348.5358,964851.4278,447112.9864,734726.474,896894.6114,448424.7447,170728.4079,766024.9632,386723.7585,1072193.224,949993.4281,503025.4764,139608,227964,390040,465343.6174,204.3073394,227964,204.3073394,true,true,"Quinoline, 2,7-dimethyl-","93-37-8","C11 H11 N",79.2,66.1,100,639,855,100,-0.05,true,true,"w11n17main1",78337,1423,"SemiStandardNonPolar",4,0.3,true,true,"(2E)-2-methyl-3-phenyl-2-butenenitrile",0,"C11 H11 N",82.2,66.1,100,789,966,100,-0.05,true,true,"w11n17main1",78320,1399,"UnspecifiedColumnType",28,2,"Quinoline, 2,7-dimethyl-","93-37-8","High","93-37-8","CAS-RN","DTXSID0059085","Quinoline, 2,7-dimethyl-","QXKPLNCZSFACPU-UHFFFAOYSA-N","2,7-Dimethylquinoline","2.57E-06","Y","-",39,"CC1=CC=C2C=CC(C)=NC2=C1","-","-",50.8159,265.187,5.63638e-05,1.055,0.522,5.98412e-05,114.077,64.872,0.855,0.0055335,38.282,136.302,0.000254683,5.8479,0.00514044,0.00345144,2.8405e-11,13.8996,4.30034,266.564,1.26487E-4,2.16917,6.11024,827.045,2.76437,57.7589,0.00602656,0.0113726,"-","-","-","-","-","-",0]
[2366659.3468600647,4681,false,0,"Benzene, 1-methoxy-3-nitro-",110.06054,24.134,2704308,153.06522,354791791,2303843,"C7 H7 N O3",153.04204,0,33.2,5.4,15.7,550,767,2213,0,31646.28841,0,1797.917227,2240418.679,2290521.023,410497.5187,297538.3047,2412058.698,6004269.181,1921590.332,551723.5216,302739.236,2484220.604,1124105.686,218866.2391,941384.8165,121893.9985,1743724.516,2233411.756,2726988.378,1781601.595,3138790.482,143463.7614,3096502.883,4076596.975,645340.2852,342538.3734,11287355.36,3055539.648,184156.6685,4064965.596,208424.6822,1762663.056,4281353.348,4383274.524,1382089.443,547158.5773,2775616.379,866475.6177,9724300.584,3847284.61,741687.6018,533694.6769,547091.3699,888206.0395,2815861.446,169964.7855,6923526.989,1705557.271,14014147.25,53905.22288,5598816.573,3192203.213,2311141.679,228423.1405,7440244.359,4959276.048,934452.7653,204191.267,227560.0509,1368699.764,1819768.841,4452562.199,4629342.571,1047802.731,1119485.224,119638.1908,5471256.081,74230.16733,67267.5146,3478642.023,4443276.187,2645279.559,4550555.545,190702.6879,483116.6657,526998.356,904753.8542,1002053.167,2307106.551,201296.902,3214662.746,3865148.628,1762663.056,2207451.45,64114.36079,1906403.757,2530907.614,328216.7255,9178860.091,6802696.352,3174997.097,72997.55231,2459558.43,1565685.859,955816.8268,1423305.318,3371197.385,3689338.215,0,1961415.068,660720.1206,1326148.401,301089.8417,6235670.093,0,3085308.531,11364741.49,965455.2833,3524534.393,82948.13938,655920.8277,5275393.444,1178305.574,1760235.944,144173.5316,291707.886,502525.4469,3169245.131,70551.80687,1478644.041,5647680.988,91074.67704,488237.5933,3496983.665,947064.301,5399864.884,4226136.079,1765090.168,21858.08336,1597586.601,3412507.3,1257127.347,2155766.039,5335113.747,2993883.111,1776231.691,2698220.527,421812.0778,2729022.93,1676925.88,5259577.681,2356206.205,46024.63771,1631698.885,1893733.132,4747083.714,630554.4279,404939.5947,158415.8056,266704.8125,8160603.149,2659069.02,4388774.698,364181,1324977,2545554,1778495.255,101.2732905,1324977,101.2732905,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzene, 1-methoxy-3-nitro-","555-03-3","C7 H7 N O3",33.2,5.4,15.7,550,767,100,0,true,false,"w11n17_w11rep",10072,0,"None",0,0,"Benzene, 1-methoxy-3-nitro-","555-03-3","Low","555-03-3","CAS-RN","DTXSID3060295","Benzene, 1-methoxy-3-nitro-","WGYFINWERLNPHR-UHFFFAOYSA-N","1-Methoxy-3-nitrobenzene","1.89E-06","Y","-",46,"COC1=CC=CC(=C1)[N+]([O-])=O","-","-",9.7949,258.775,1.50314E-4,1.251,0.535,1.28529E-4,111.078,55.15,0.848,0.0105196,"-",143.48,0.000278612,3.1842,0.0188799,4.06443E-3,1.93487e-12,8.44193,3.55747,258.37,7.50825e-06,0.0914541,4.32405,118.276,2.1598,38.4337,0.00249312,0.00338392,"-","-","-","-","-","-",0]
[125712678.45279555,404,false,0,"Methenamine",140.10611,8.937,56858197,83.04784,19531821368,126830009,"C6 H12 N4",140.10565,140.10556,96,99,99,817,818,1234,21,0,0,0,34694.73625,32436.60717,2787482.074,417177.9195,143057.5054,44943.16822,0,52476.35997,58281.67157,167677.5119,0,0,90178.88758,16513743.66,111809.3872,200196.3991,0,36971.14978,31504.10043,102438.6086,106452.0445,88560.71411,755212519.7,161122.538,89369.80085,24562.95491,5437607.179,146631.3413,26571.41752,146380.2835,59765.33337,92307.85595,32800.36575,0,2406459426,145362.4815,13217.85529,0,18187551.75,70202092.2,31287.23345,26062.51652,3189513.265,0,102766.3764,35325.08665,1797374502,35689633.6,46970.11812,114014.5737,18637.52393,0,179061.1742,75973.22528,2781691.498,55967.30753,44951.73722,11643895.7,148415.9945,167908.7646,31568.84559,19821.18459,40073.41323,215207653,155511.1165,29201.52427,4787722.638,181832.1717,34811.93896,89369.80085,52794.86443,74291.27519,11314210.78,28937462.93,27313.55778,429187.3049,36284.57969,36695.08404,17201.13353,82271.07927,36675.05943,75012.16087,45375.74921,61255.25897,71077.32649,45716.16745,44234.34687,165122.872,132442.7208,36885.31776,0,161117.9515,223784.945,6384333.872,34502650.39,110295.5104,20735776.23,816253689.4,70536.66222,116372.9773,305317066.3,307818.1893,45137446.43,601138.5663,0,72393453.5,59954230.51,20202791.4,34520141.88,0,0,2671290276,63182997.64,0,52669982.76,21502.44767,48767591.76,459793307.9,53372.0025,10291100.57,125192563.3,40870.01525,9855018.961,21207486.49,35193.17498,8538000.106,118327718.9,249853.7517,6853975.954,143665179.4,5357307925,69755.58993,61361.62954,20504884.51,53331.56916,3055107908,39430.58851,31254.96813,117337.5388,50711.48904,88460.05081,291548.607,67353.84982,37319.96841,90279.55089,25950.11455,28683.40801,26362.53457,36826.68172,66100.41643,0,5088,13171,1055812,17573380.56,453.3129071,13171,453.3129071,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Methenamine","100-97-0","C6 H12 N4",96,99,99,817,818,100,-0.63,true,true,"w11n17main1",45142,1213,"SemiStandardNonPolar",21,1.7,"Methenamine","100-97-0","Medium","100-97-0","CAS-RN","DTXSID6020692","Methenamine","VKYKSIONXSXAKP-UHFFFAOYSA-N","1,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]decane","7.15E-04","Y","-",151,"C1N2CN3CN1CN(C2)C3",1200,"Y",2.36592,201.378,0.0123595,1.059,1.073,0.126474,73.161,84.612,0.847,0.00756833,"-","-","-","-",0.0143219,0.837529,2.95246e-11,2.48593,34.0792,190.918,1.52861e-07,0.177035,4.31856,132.233,-0.164859,107.006,4.01857E-3,0.243402,"Y","-","-","-","-","-",1]
[30842188.905323844,1240,false,0,"Pyrene",202.07805,23.064,50908768,200.06197,4507552603,29269822,"C16 H10",202.0777,202.0775,90.3,82.7,91.9,860,912,2128,7,1344223.695,687869.8535,467092.3502,14541010.61,4520153.923,5085950.045,106521971.2,33341340.84,51048264.64,14598979.03,22020532.45,31654016.59,20120004.83,3172813.22,16333450.34,33889443.85,4877349.841,25192934.05,11827146.75,42751061.05,30476766.63,29503438.32,8689851.711,23981092.83,1190371.319,12254219.6,12798300.74,105758627.2,42235686.76,792818.3043,19244030.7,75134931.45,111470662.9,5344532.936,19857868.63,923266.2236,11543112.83,7672815.213,52764202.07,36207881.68,8677534.284,3780307.431,78261218.92,11955405.08,10147451.87,18226727.58,33419179.59,34248227.14,3258597.716,9320354.002,30663753.41,29915511.92,16830515.39,30620240.87,100717812,142434489.3,26210416.75,5462381.725,26895886.2,10932376.3,13927790.32,8081015.815,15464832.84,25957031.13,14122476.09,49882397.15,71272214.86,9143879.417,11195917.31,3281182.306,19622939.78,8374730.641,68746064.18,7529587.487,39017018.44,4150055.543,9718661.263,4825766.627,6666171.873,46266233.17,33946937.27,2946926.954,23697281.98,8293222.511,26850609.86,11725661.81,10778126.63,18928747.9,7562288.894,6902405.666,31216355.54,13225446.72,38639001.24,7637347.107,51082210.13,46446703.27,131488871,32380801.5,18226727.58,66795502.76,8829225.306,102600508.2,19673401.7,13226211.67,17213500.71,39685539.86,10854409.57,207140518.6,5260967.548,50001411.74,5962743.732,102821288.5,18745954.48,5904384.11,36732565.76,102697122.2,70678636.31,66745455.81,4211401.601,28998615.94,63145138.53,7235724.633,9679346.971,52231108.02,16554645.23,15437718.69,35378858.54,9812805.276,11575675.42,34557605.25,42982502.71,22110504.42,66653342.22,10625236.78,130678339.5,143264494.6,18089258.1,12012525.33,27677324.68,34829616.76,10017507.77,18364197.07,15506283.13,6596215.813,76149109.42,16240123.65,16005842.57,27499785.61,20095321.18,6453136.306,11509576.79,17635451.45,17488723.88,7757183.71,2151859.5,4627815,9913838.5,7575133.358,111.513003,4627815,111.513003,true,true,"Pyrene","129-00-0","C16 H10",90.3,82.7,91.9,860,912,100,-1,true,true,"gc-orbitrap contaminants library-2017-09-18",780,2135,"AnyColumnType",7,0.3,true,true,"Fluoranthene","206-44-0","C16 H10",90.1,82.7,91.8,849,896,100,-1,true,true,"gc-orbitrap contaminants library-2017-09-18",35,2079,"AnyColumnType",49,2.3,"Pyrene","129-00-0","High","129-00-0","CAS-RN","DTXSID3024289","Pyrene","BBEAQIROQSPTKN-UHFFFAOYSA-N","Pyrene","7.14E-07","Y","Y",193,"C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1",26,"Y",529.663,415.21,2.51768e-06,1.234,0.342,1.09901E-6,189.229,173.707,0.842,0.00704693,41.97,122.478,1.90985E-5,"-",8.6896e-08,1.2106E-7,4.97948e-11,1557.35,237.283,393.972,1.18743e-05,2.08881,8.855,79473.2,4.88312,152.013,4.47547e-06,7.22051e-07,"-","-","-","-","-","Y",1]
[54371615.35582781,793,false,0,"Fluoranthene",202.07803,22.368,85449211,200.06195,8577199142,55696098,"C16 H10",202.0777,202.07748,97.4,95.9,97.1,954,958,2074,5,2341182.686,1370405.679,901999.6277,29219572.77,9485220.44,9217196.888,228561342.1,54883734.63,92967674.27,379325.674,49004048.82,48815215.29,35554660.65,5754724.387,9568682.184,16663426.77,7964006.602,43516139.01,28586519.15,63295766.42,64696498.4,59446319.88,9479239.192,44824636.75,53737816.54,22637658.72,20407107.02,187025138.6,61103797.85,24701766.68,32387116.71,108843305.3,49736055.92,0,35251193.84,7213535.537,20789126.21,12939840.44,104930087.3,67018350.54,13428981.17,7449596.383,165807341.5,22673631.63,15871692.67,36600428.94,85217434.91,86475161.46,7234213.147,18696670.92,64393947.59,71183306.65,33407598.46,17560492.21,170991128,409629946.5,52405039.77,13519696.36,68413947.75,26411634.43,31366634.96,16169707.8,27017868.38,56252106.9,25651168.22,38521697,183676216.6,26205091.78,23006089.65,7982483.817,193690967.9,13700937.12,145118195.7,0,98516535.55,8501289.71,17029611.02,8710440.73,12735525.33,89485127.14,59598563.7,20651281.87,47230937.17,18622463.65,58372664.59,25640002.71,25883129.56,34881537.73,13513915.43,12447697.27,62437584.6,26101697.11,98425490.99,12876058.14,115353622.9,16783975.52,66325881.19,236696723.7,37061959.54,33980605.59,17773328.44,143656180.7,34731867.14,19972456.04,32387116.71,103205824.3,16880110.09,516611715.9,11184016.94,103934162.6,1464178.334,55133550.57,33969080.35,10448661.68,68624317.48,160737371.4,83749705,105468100.6,5975473.139,42309388.5,100702317.5,11359420.43,12841051.84,64169108.48,22545181.15,21399838.65,39214723.59,12837092.17,17492050.81,43158558.25,51774615.94,28799175.92,79827134.78,13047381.69,175479987.2,202433767.6,7027342.089,18436437.3,40073573.17,54226204.29,14654158.22,81490708.88,19936880.02,9361704.65,100224271.3,26389897.15,23251393.06,36249359.72,33372609.28,8816286.417,15994136.28,27133725.89,31401624.14,42574368.76,2858029,5737445,12938113,10182205.89,124.7128073,5737445,124.7128073,true,true,"Fluoranthene","206-44-0","C16 H10",97.4,95.9,97.1,954,958,100,-1.08,true,true,"gc-orbitrap contaminants library-2017-09-18",35,2079,"AnyColumnType",5,0.2,true,true,"Pyrene","129-00-0","C16 H10",97.2,95.9,97.1,944,950,100,-1.08,true,true,"gc-orbitrap contaminants library-2017-09-18",780,2135,"AnyColumnType",61,2.9,"Fluoranthene","206-44-0","High","206-44-0","CAS-RN","DTXSID3024104","Fluoranthene","GVEPBJHOBDJJJI-UHFFFAOYSA-N","Fluoranthene","1.45E-06","Y","-",176,"C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1",21,"Y",480.839,378.496,3.50752E-6,1.243,0.74,1.18577E-6,189.415,142.885,0.836,0.00490908,"-",125.925,2.30144e-05,"-",3.70681e-07,3.1842e-07,4.97906e-11,3528.4,147.199,393.972,8.917e-06,0.957691,8.855,63177.5,5.16033,108.056,9.0836e-06,1.12866E-6,"-","-","-","Y","-","Y",2]
[5438853.083386756,3343,false,0,"6- and 8-sec-Butylquinoline",185.12028,15.586,14516821,154.06508,832020690,5402732,"C13 H15 N",185.1199,185.11974,94.2,95.1,98.6,806,851,1610,37,0,0,0,3841366.977,1547905.047,1086459.505,3240654.675,9913570.536,3133585.532,13518386.63,3643926.399,4603967.203,1490225.844,4134935.586,1239772.126,2761105.051,1007023.223,235031.2803,10914360.42,4052621.005,2627714.073,313049.2701,2803320.101,3370047.023,11466320.42,71891.92102,669004.8592,18407708.26,1005169.485,99468.34348,24800058.2,2950124.16,1620547.984,9945190.968,3660690.027,979594.7514,13053085.44,2968452.817,4367606.538,2022328.04,4174746.263,745872.2162,5065078.001,3617745.763,1406458.282,1212808.482,3752017.703,6274990.827,8734846.839,148592.5113,2982855.209,3817663.941,971235.1834,1065499.425,4879175.322,11056216.75,2154856.442,4050702.028,8728571.98,6200757.673,1669102.55,1111382.127,2314862.838,2959007.714,9074799.851,230983.4873,2977897.919,2304079.973,2140529.772,0,4460405.43,945837.9038,4281554.742,4259909.977,11216760.03,826615.7045,2968452.817,2316167.459,2003088.012,20596308.16,3736273.619,7411028.98,18856035.9,1303256.399,10751699.53,472099.7938,8704031.35,1745689.367,85944523.59,4916108.68,10570548.95,2620236.148,7569226.399,1985623.007,191576.2989,1195529.883,2434432.181,269754.3955,4626065.278,6173861.342,6795520.778,26997871.72,1857477.237,1426334.359,5655701.299,903213.0701,7894312.297,1833274.885,1611540.371,6016936.796,6279456.536,279197.3386,1940882.994,2275328.95,10057505.56,15906489.23,17693349.25,7257734.33,2164147.676,318345.4598,279395.1558,844098.3235,4589613.093,2110059.444,1637522.284,943219.1384,6775540.071,6627168.045,4265947.757,2744962.952,31634762.6,1491776.312,5766576.411,1823421.463,950461.9635,651896.6168,3822009.168,1440407.316,368172.7082,3234586.402,3601039.469,199427.5895,33058752.85,4487002.168,3024874.848,2374215.018,2314459.593,3911506.768,1517299.859,2912030.785,1580333.615,5927816.099,13182754.95,17266776.5,216471.25,466876,937367.75,865778.72,163.890749,466876,163.890749,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"6- and 8-sec-Butylquinoline","65442-31-1","C13 H15 N",94.2,95.1,98.6,806,851,100,-0.89,true,true,"w11n17main1",146950,1573,"UnspecifiedColumnType",37,2.3,"6- and 8-sec-Butylquinoline","65442-31-1","Medium","65442-31-1","CAS-RN","DTXSID4052340","6-(Butan-2-yl)quinoline","AUBLFWWZTFFBNU-UHFFFAOYSA-N","6-(Butan-2-yl)quinoline","4.75E-06","Y","-",37,"CCC(C)C1=CC=C2N=CC=CC2=C1","-","-",142.561,308.59,2.99226E-5,1.101,0.415,1.8281E-5,152.215,53.13,0.835,0.00984011,38.649,125.945,6.88652e-05,8.57038,0.000443609,1.99526E-4,1.98137e-11,219.495,3.34847,294.32,0.000120608,2.09823,7.25661,1733.84,4.04438,40.2632,0.001646,0.000516902,"-","-","-","-","-","-",0]
[961813.9065764167,5417,false,0,"1-Penten-4-yn-3-ol, 1-chloro-3-ethyl-",148.08873,11.069,73986,108.0525,194132785,1260602,"C7 H9 Cl O",144.03364,0,27.9,16,16.7,573,603,1350,0,3399.71682,1646.5105,1246.401174,8934.23309,19555.68112,160750.9606,95480.35363,18974.49636,309015.3445,104032.0723,92310.5245,36792.55366,125123.7417,173765.3479,42791.21066,157687.8797,36196.54276,219385.3865,18520.81642,48635.67579,77840.21004,137722.997,159882.1487,1098296.868,42637.01879,65501.89478,72624.37333,63072.75305,59173.3774,43245.06135,70310.76381,172872.3204,47273.47771,61484.37921,2677519.663,55238.80883,341024.0971,85586.83772,12603089.45,91696.32881,92006.02652,85075.36727,254977.4052,63175.98562,16493.74898,5646380.403,116964.9984,5083947.822,36829.12857,0,212813.8625,10065411.27,5197740.248,76248.76697,404773.8532,268687.7879,34694.90171,110151.5293,319482.3871,6957.980982,50845.44602,0,0,17807821.65,22486.32123,86736.58523,31197.17819,89221.38728,18806.61975,83414.14931,504436.2262,13828.9872,18540.97195,110021.316,404870.9438,11402.70962,46083.08388,36017.6119,8190.728874,169571.7,209358.9694,85075.36727,105689.2355,25549.90075,26671.18697,144701.6902,3394471.558,8090572.504,144039.5974,38345.61568,257774.8032,23141.21183,180683.7057,84198.50958,207704.9239,441452.1652,1038855.666,85293.69178,10440.42059,22788.80758,89000.46232,445056.8927,28786.79896,8341.42025,17864.64058,104245.2087,87344.04373,7494095.696,73804.36429,64395.0524,58920.32793,25618.72043,5701132.924,18855.40671,102516.8625,23445925.4,37443.62895,6317583.213,48673.20511,370730.5645,158952.7712,28950.318,122671.7915,88192.74257,304066.1524,27253.76333,192423.7225,81957.99197,92207.5707,95330.21481,562725.7577,573927.2335,0,67598.74665,492541.7849,1097326.643,21672.34434,654318.6346,0,18335.43557,17885.83102,97409.63585,32891.38288,17773.42988,0,74655.43056,187832.8385,39684.62664,94641.75784,13405992.35,5967.797898,67096.45406,9655.960225,44461.67498,19206,37999,121394,552105.2828,315.6196689,37999,315.6196689,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-Penten-4-yn-3-ol, 1-chloro-3-ethyl-","113-18-8","C7 H9 Cl O",27.9,16,16.7,573,603,50,0,false,false,"w11n17_w11rep",8303,0,"None",0,0,"1-Penten-4-yn-3-ol, 1-chloro-3-ethyl-","113-18-8","Low","113-18-8","CAS-RN","DTXSID2023010","Ethchlorvynol","ZEHYJZXQEQOSON-UHFFFAOYSA-N","1-Chloro-3-ethylpent-1-en-4-yn-3-ol","6.41E-06","Y","-",44,"CCC(O)(C=CCl)C#C",1,"Y","-",163.498,"-",1.005,0.685,6.1235E-4,59.735,5.713,0.833,0,"-",136.376,"-",3.46737,6.80769,0.160325,4.62767e-11,10.3609,3.33266,173.945,2.11181e-06,0.180543,4.92076,48.6369,1.60223,-6.69657,0.100754,0.201902,"-","-","-","-","-","-",0]
[11500066.393517222,2339,false,0,"1-Hexyn-3-ol",98.07312,9.173,2328428,84.05255,1657348849,10762006,"C6 H10 O",98.07262,98.07257,92.4,96.8,100,683,709,1247,0,70078.11036,33793.70918,92852.99809,2685799.88,2748369.121,2528528.308,5670783.417,3369492.84,4657340.116,12965343.05,13532034.14,5887360.882,3710077.493,1321416.239,14581004.42,6310878.061,1661805.091,3669263.899,6728347.169,3810893.161,5875504.054,3650379.998,6514358.626,2167471.592,3370732.912,4898958.331,7835970.666,4875534.371,3863200.074,1295707.471,5011867.647,4582331.04,1664510.208,1606663.516,11589359.62,16548501.89,66938452.88,1921383.205,10558963.27,4234116.638,2534427.53,2304003.155,8508653.782,13777978.74,2234573.376,2891509.695,43062219.85,4688107.117,24999442.9,2895696.661,8707966.027,4259943.175,6595345.576,1922060.645,10594758.07,105217114.5,3283065.416,3100961.482,4107034.456,824984.5256,5583687.43,4210945.988,4414570.408,3004529.393,3528949.667,3699180.229,11718764.09,3762316.102,1486632.075,1692385.11,116913049.7,4257287.289,2943253.237,3030614.68,5276646.69,8727190.618,3179195.168,4082700.496,7132329.594,5780305.413,2357710.155,1525620.574,10114252.6,3930798.796,4294422.837,3494205.227,45223394.8,2833575.587,955557.0542,3142195.713,132024291.1,4780115.945,2613326.863,1636638.361,5386207.806,11913707.99,30491454.83,5897169.309,4127177.531,59574347.2,3196908.293,2230455.337,1446202.846,11412807.23,100011255.5,4859320.028,3162569.692,7847361.057,3615244.914,5942539.769,3733021.657,4660804.842,5314617.259,2788438.194,3232569.732,6984528.84,19032794.68,2313892.041,3184147.709,3374045.581,3874767.467,8048910.928,5769620.78,5899777.53,9032821.697,2596972.658,6351123.39,4080986.501,3657332.469,198890007.4,933348.6883,3745693.638,88456027.64,4630053.058,6253247.99,29861562.93,4072890.379,3355790.633,5614840.478,6634487.629,3103624.823,16395470.33,7533492.262,11047904.99,4718646.282,4326629.003,3501959.138,3650938.08,1165970.359,2621080.534,2056260.059,3444022.883,6605377.69,4141604.274,142707.5,212497,307617,550776.543,217.4832678,212497,217.4832678,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1-Hexyn-3-ol","105-31-7","C6 H10 O",92.4,96.8,100,683,709,100,-0.47,true,true,"w11n17_w11rep",2109,0,"None",0,0,"1-Hexyn-3-ol","105-31-7","Medium","105-31-7","CAS-RN","DTXSID4051536","Hex-1-yn-3-ol","LTFTWJYRQNTCHI-UHFFFAOYSA-N","Hex-1-yn-3-ol","9.94E-06","Y","-",54,"CCCC(O)C#C",5,"-","-",135.986,"-",0.903,0.564,0.000990832,45.548,-22.227,0.833,0.00140929,29.55,140.51,0.00365595,2.95121,12.5026,0.27227,9.56408e-12,3.96405,3.56051,141.922,7.61923e-06,0.116722,4.25885,12.6772,0.67023,-79.5008,5.44032,0.388251,"-","-","-","-","-","-",0]
[1465573.19921053,5282,false,0,"11H-Benzo[a]fluorene",216.09392,24.871,4917937,215.08554,221258885,1436746,"C17 H12",216.09335,216.09337,78.5,60.2,100,721,910,2273,0,20084.89244,22667.69668,5194.646881,1076063.881,320289.9352,0,0,3645241.364,3594637.942,1070175.908,800199.3278,3095247.005,1869461.715,286913.4508,3194005.234,83380.93721,24267.64243,2174607.918,572640.266,3568733.496,2166580.233,1949444.73,433762.4476,1738165.18,139523.8756,731834.0414,903751.1888,7556462.629,1729926.301,368492.1085,978892.9504,4312925.865,0,167916.0624,986963.5484,274949.7106,30360.41605,706654.4164,3001658.646,3186336.72,1040567.967,243720.1533,3113922.45,703371.7496,1350041.808,1100596.548,1631563.031,2060769.953,0,819126.3097,1514367.738,1601215.669,277550.0374,989746.9652,6721724.353,4351513.054,1742637.091,391056.0976,2326851.4,778128.6362,738979.3849,379402.2844,1357270.885,1539754.681,954141.0516,512167.711,2913309.95,510302.7964,984180.1317,151895.3906,877594.5538,1357868.419,3006077.13,631701.5312,2082688.316,196693.3404,494896.1037,186492.3496,251508.2716,2110560.892,1506627.123,649057.3655,1133532.37,666972.6427,1341688.396,225984.8318,448341.8003,1127840.987,599627.2369,310596.9802,1426054.232,986963.5484,1378470.134,631431.636,2176001.309,900324.5656,1271851.045,154444.2587,1048182.595,1050981.12,0,5843028.226,1658726.176,674976.4769,1070975.639,923644.2978,844963.2932,6443338.062,176369.9691,1509208.16,279545.9293,1412995.758,1092377.281,227342.1689,873477.0186,4907652.75,0,2971158.514,728474.5293,1453659.353,1258472.241,631249.6115,303132.6478,2978400.435,966072.6729,615619.357,5692235.033,759757.8833,578408.7181,1969794.197,4917058.733,1257070.378,3011193.647,565023.5215,5504063.468,8545356.673,259712.2745,503715.3749,1217658.295,2679824.361,706871.2996,1479997.765,926367.756,462558.7509,2680410.028,1669747.725,1007854.424,1483410.004,478683.2919,224943.9926,579087.8429,1091773.065,927156.953,505559.6037,308246,645668,1193685,945667.4345,101.4863389,645668,101.4863389,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"11H-Benzo[a]fluorene","238-84-6","C17 H12",78.5,60.2,100,721,910,100,0.08,true,true,"w11n17_w11rep",16709,0,"None",0,0,"11H-Benzo[a]fluorene","238-84-6","Medium","238-84-6","CAS-RN","DTXSID3075204","11H-Benzo[a]fluorene","HKMTVMBEALTRRR-UHFFFAOYSA-N","11H-Benzo[a]fluorene","2.40E-06","Y","-",59,"C1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12",1,"Y",659.174,377.108,1.30317e-06,1.156,0.921,6.65273E-7,180.828,156.032,0.82,0.0111686,"-",128.971,1.28233E-5,"-",1.1324e-06,1.42233E-7,1.99178e-11,678.84,140.966,404.821,2.65973E-5,1.48903,7.87963,114937,5.53804,189.164,2.43153e-07,2.10948e-07,"-","-","-","-","-","-",0]
[3455348.9609927125,4119,false,0,"Phenol, 4-(2-phenylethenyl)-, (E)-",196.08877,17.629,12677149,195.0804,515588091,3347975,"C14 H12 O",196.08827,196.08823,87.2,92,96.5,522,555,1740,55,58752.47648,187877.8325,46531.42225,2370555.242,1618061.065,1620733.245,5096468.975,3875085.229,1747181.485,3201664.174,2964803.212,5096837.131,2156444.381,1623566.341,2557232.371,1761351.841,1515204.078,2771496.833,1680184.374,2338038.029,2993143.924,5069064.501,1160628.223,2150670.912,1569166.998,2565941.337,1671936.212,6768718.325,2247241.205,2139017.48,2608577.349,6058504.04,2334461.453,1976385.746,1789851.736,1176035.33,1049450.646,1563531.852,5372362.885,1644883.313,3463367.096,952152.9431,6039152.137,2604812.897,4633425.432,2106564.03,3645519.769,2006097.544,986917.077,1802418.386,12706685.53,7762210.574,1994826.936,1632417.656,13364196.93,4631047.964,3259428.873,1981429.848,4913137.489,1336915.349,1941293.511,2348152.247,2146330.164,5044529.391,3366197.545,7202870.377,4791747.631,1153208.89,1999780.877,1527833.008,3101412.809,1114594.831,6403353.736,2206946.055,4349003.281,1589187.241,2087836.347,1394254.052,2235037.203,2062911.825,6735451.131,2357904.327,3571991.525,858044.303,2053081.105,3313249.804,3690949.316,5720138.935,1586567.516,1358158.564,7905475.636,1175412.496,6741200.346,1306118.539,6007275.638,846069.8646,4585575.242,4136420.707,1289775.642,2247241.205,3427244.972,9100566.453,2254870.817,1591280.321,1978709.275,5182433.648,3848109.179,42797220.22,2128367.812,3749120.038,1464902.226,5324465.949,1823392.673,2241164.524,3824125.627,9048841.692,9819171.464,7990967.717,809278.0409,5363020.942,2657658.784,651610.6689,1064198.155,4520876.664,1625358.27,1328351.383,3528279.169,618668.9559,848625.6985,5551796.613,2562041.335,2411858.571,7090456.068,1051823.392,8311937.931,7131762.932,723041.5108,1052449.206,5100468.414,2020177.673,1549065.578,3561393.846,1499443.879,2175480.16,7955840.372,4620516.304,951180.5627,3160181.078,967244.1684,508925.0935,1398712.996,1321794.489,2319002.251,870428.5526,544598,766975,1453417,1164690.384,107.1845531,766975,107.1845531,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Phenol, 4-(2-phenylethenyl)-, (E)-","6554-98-9","C14 H12 O",87.2,92,96.5,522,555,100,-0.21,true,true,"w11n17main1",180299,1795,"UnspecifiedColumnType",55,3.2,"Phenol, 4-(2-phenylethenyl)-, (E)-","6554-98-9","Low","6554-98-9","CAS-RN","DTXSID2022464","trans-4-Hydroxystilbene","QVLMUEOXQBUPAH-VOTSOKGWSA-N","4-[(E)-2-Phenylethenyl]phenol","1.07E-06","Y","-",27,"OC1=CC=C(C=CC2=CC=CC=C2)C=C1","-","-",74.131,338.722,9.81748e-06,1.153,0.64,9.7051e-07,174.679,135.299,0.811,6.19441E-3,39.439,"-",2.53513e-05,10.3753,1.81552E-4,8.14704e-05,1.56044E-11,110.263,12.2496,324.4,1.25076E-7,0.166552,8.60425,902.627,3.3289,111.937,6.18606e-05,1.06734E-3,"-","-","-","-","-","-",0]
[679066.2864921988,5860,false,0,"1H-Indole, 1,3-dimethyl-",145.08884,11.052,271002,145.08829,110492946,717487,"C10 H11 N",145.0886,145.08829,76.6,56.2,100,708,708,1349,0,27565.20045,0,14734.79619,23492.44367,1875451.574,48977.65318,1540555.947,333009.2035,2146564.824,26238.85413,54206.92966,1846919.421,1461552.723,199110.1347,1716326.217,472294.7507,430317.2077,69534.11934,22516.86689,1654467.251,1716053.425,103596.082,475845.6653,2236928.201,1457266.658,222824.5105,101820.6248,3039622.583,169090.4209,34502.59439,68705.48583,479760.7944,570664.0897,20041.92742,451305.9792,745050.205,503608.3837,13131.79543,1230195.757,512533.0284,533626.7435,11400.02135,498832.9284,289620.4829,0,11008.42836,1008754.192,630384.6052,621902.867,25670.80284,865372.5198,1030412.606,677746.6001,16840.07751,996618.693,522520.5731,1386477.863,353660.9088,315669.5088,57206.90402,247777.0415,6709.808763,28798.19071,756754.5983,661878.288,24078.18731,76671.13375,580849.6348,380091.3854,6004.121979,0,664145.7406,1453966.198,96143.57175,125607.0758,608821.6826,702872.1159,298868.2484,451305.9792,1698699.13,770889.7273,33574.69063,972666.3905,325553.4163,911871.5146,141108.502,54426.2912,1577498.908,419627.3153,43660.2386,70645.76714,652641.4878,815526.138,508778.1153,28848.70329,426380.7371,969934.9857,145210.3023,1230089.56,29097.43946,45706.44564,1395442.8,883881.6551,39595.98335,2395793.996,32856.64092,91004.58849,3942379.221,1051182.546,93684.3688,617499.2899,32382.63424,1224706.534,0,138243.1651,1252257.319,353755.5542,100578.5105,1980076.908,173519.2999,139601.1054,1275984.899,400562.0565,53159.72264,1194290.245,44611.97388,182164.0444,1576962.651,15119.20952,165207.9783,2849467.829,69273.1384,390189.5756,4017072.124,2233163.018,1259289.509,1141864.053,888462.7062,299153.0201,1193374.848,52838.42428,174937.8625,1898442.876,418548.7023,117007.1624,988265.2509,901854.1793,80470.08306,432303.9094,470308.0491,678376.0158,2110111.81,705389.3268,1350750.421,21638,124058.5,320065.75,192411.8919,126.8962899,124058.5,126.8962899,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1H-Indole, 1,3-dimethyl-","875-30-9","C10 H11 N",76.6,56.2,100,708,708,100,-2.16,true,true,"w11n17_w11rep",8558,0,"None",0,0,"1H-Indole, 1,3-dimethyl-","875-30-9","Medium","875-30-9","CAS-RN","DTXSID80236360","1,3-Dimethylindole","NAPPMSNSLWACIV-UHFFFAOYSA-N","1,3-Dimethyl-1H-indole","3.86E-06","Y","-",26,"CN1C=C(C)C2=CC=CC=C12","-","Y",70.7946,254.721,2.74157e-05,1.021,0.446,3.56451e-05,107.071,64.726,0.81,0.00195434,"-",125.13,0.000267301,4.04576,0.0321366,0.00961612,4.63838e-11,14.4539,3.86064,258.413,0.000572626,0.391426,5.72139,946.658,2.99741,128.672,0.012074,0.0142071,"-","-","-","-","-","-",0]
[98952359.50193377,538,false,0,"9H-Fluorene, 9-methyl-",180.09366,16.61,25441333,166.07314,13376950153,86863313,"C14 H12",180.09335,180.09311,87.4,81.4,100,744,862,1674,0,7171641.733,667502.9779,53314.11472,455232021.6,8556791.902,245891285.5,49352725.12,32733835.46,57755914.6,373001452.4,46064563.56,90126674.16,15422336.71,436746527.7,40920854.39,112797364.3,53632641.18,326232147.6,44287717.29,54851723.24,9619001.884,412696470.3,209437506.6,26526037.69,71189149.48,201050479,13500979.98,194677179.4,83260658.71,187220647.5,36409502.41,17578340.62,173110712.9,33323361.01,110750742.4,21591978.72,19272861.79,210442895.7,32413698.43,56303818.92,30552876.66,196210844.4,15023575.9,15792799.1,269862364.4,298161824.2,21004647.54,43802080.01,17349364.93,165100996,47550027.36,67463093.68,12401999.26,136294284.2,41599240.48,356968504.1,39516356.6,158689883.9,34758023.68,5349861.714,63800805.25,160402716.9,212471870.6,9182528.342,48806832.59,233651760.3,138095346.3,6502823.303,77825225.06,227994430.2,1101423979,4248027.404,15905124.06,100640076.4,71921712.76,1917296.202,18993404.8,88989195.25,110183017.9,13670904.66,7236940.136,92724140.14,174358511.5,1901328.318,13872883.38,70138843.27,42382137.33,2992786.529,56303818.92,98566915.97,88269292.25,7522598.485,34204076.07,2675786.656,70298209.01,7631306.611,65537172.64,99107293.69,7304134.32,5290206.543,70153450.14,195083125,9956624.096,85458446.31,242288074.4,70917135.43,43188576.17,34057298.06,94832028.59,139102242,53146273.74,104699471.5,5127038.924,101236019,131544407.3,3299070.583,57830795.52,47816744.12,4126479.881,96610456.34,90645611.6,5019903.272,84503134.19,65421062.19,6207962.401,60972697.47,11944380.01,18535183.68,64420782.18,187979989.8,2825790.627,48450639.69,153916002.5,8331407.909,123391184.5,66198673.02,4143053.433,116859135.2,1144745076,3788402.762,54776842.32,154036289.2,17722480.49,94268068.76,131952739.1,7016378.253,99767788.03,197959275.6,3792760.128,79098942.38,7382116.864,5772894.987,9588507.943,27516663.88,1387809.5,6145313,13594338,9663401.113,155.2692397,6145313,155.2692397,true,true,"3H-Benz[e]indene, 2-methyl-","150096-60-9","C14 H12",86,81.4,94.1,670,771,100,-1.35,true,true,"w11n17main1",134049,1669,"UnspecifiedColumnType",5,0.3,true,true,"9H-Fluorene, 9-methyl-","2523-37-7","C14 H12",87.4,81.4,100,744,862,100,-1.35,true,true,"w11n17_w11rep",13621,0,"None",0,0,"3H-Benz[e]indene, 2-methyl-","150096-60-9","High","150096-60-9","CAS-RN","DTXSID70345132","2-Methyl-3H-cyclopenta[a]naphthalene","BPGQLRATYHGTEK-UHFFFAOYSA-N","2-Methyl-3H-cyclopenta[a]naphthalene","2.28E-06","Y","-",5,"CC1=CC2=C(C1)C=CC1=CC=CC=C21","-","-",532.108,320.722,2.77332e-06,1.141,0.76,2.47172e-06,156.249,64.856,0.801,0.0129718,37.373,"-",3.09742e-05,6.45654,4.46684e-05,5.95662e-06,6.60948e-11,678.679,7.60821,289.487,0.000103518,4.52426,7.43171,9920.81,4.61952,78.916,1.44506E-4,1.37761E-5,"-","-","-","-","-","-",0]
[3523670.298060464,4445,false,0,"Pilocarpine",95.08616,10.39,718245,96.08894,417739632,2712595,"C11 H16 N2 O2",208.12063,0,71.3,98.2,98.2,598,598,1313,0,157669.9155,483315.7111,332493.8954,1491325.98,1765076.112,1487105.918,772583.8629,2786221.111,1636102.345,2079556.858,306745.4441,2677399.606,1816565.488,742290.6686,4006609.151,424138.4513,18883228.8,242649.1426,634671.0913,499020.1453,1844721.133,363349.6703,3712477.734,915915.0736,2333799.188,904270.4003,1898976.54,1184841.409,3477604.127,235802.2809,5102266.258,166818.8839,3985383.984,393931.6896,7009113.322,2993477.483,2914947.827,777389.8202,1333013.797,1578459.298,2733549.524,338145.5762,3745837.242,1563714.163,775484.0944,787306.2937,0,1132695.053,3632413.704,2477315.023,762238.531,1996194.913,1292775.13,111816.9815,0,1582272.662,2065975.969,411356.4204,576382.922,1367642.986,2251285.995,1134409.949,2779754.589,1655502.321,787041.5653,56473818.76,3785140.714,1545155.664,1614929.483,558633.3908,2279071.645,2372039.247,983286.6027,2937032.078,4973037.202,596262.317,469156.2946,2782892.845,6361566.695,6503756.656,580746.6577,3676359.06,2009418.649,203986.0575,3470965.218,1205100.84,982408.1453,4075141.159,9671905.61,4383588.56,23114075.12,802012.7974,570839.6109,1201669.6,599179.2459,5637819.193,627699.0773,3978706.063,1563714.163,1306975.615,9171196.178,4929816.349,51307.16543,705213.5539,3710829.126,6194381.994,3005551.752,4707581.654,568467.0252,964534.9168,307861.7631,325100.5502,600132.7851,1022216.529,16922225.13,4661988.796,4116275.472,744751.6013,7202646.78,1098326.795,1448199.751,3478384.444,1282728.051,81402649.24,335207.2793,1772575.405,1398981.763,12071536.81,4759633.892,1432662.96,544956.83,955572.8524,1288929.013,0,351460.4482,669056.3073,1261328.427,680776.2403,2568315.879,0,1798531.189,13336447.12,6319055.521,2764477.185,6030785.285,4107810.757,1349929.975,6535023.227,760574.9437,1679228.574,547386.7819,5440925.924,6975910.49,477714.7885,237224.5,741296,1284984,1299560.02,270.9224035,741296,270.9224035,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Pilocarpine","92-13-7","C11 H16 N2 O2",71.3,98.2,98.2,598,598,100,0,true,false,"w11n17main1",215824,0,"None",0,0,"Pilocarpine","92-13-7","Low","92-13-7","CAS-RN","DTXSID1021162","Pilocarpine","QCHFTSOMWOSFHM-WPRPVWTQSA-N","(3S,4R)-3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one","-","Y","-",82,"CCC1C(CC2=CN=CN2C)COC1=O",3,"Y","-",338.46,0.000229615,1.254,0.524,6.59174E-4,188.566,67.192,0.799,0.00360579,"-","-",1.11173E-3,19.8609,9.2683e-06,0.035156,1.16253e-11,3.38884,4.6502,282.434,5.37288e-09,0.589811,7.38437,98.5138,0.120625,33.9474,3.25227e-06,0.460708,"-","-","-","-","-","-",0]
[46767336.300108574,894,false,0,"9H-Fluorene, 3-methyl-",180.09383,17.124,13063451,176.06204,7120658932,46238045,"C14 H12",180.09335,180.09328,94.2,91.3,93.2,882,895,1707,0,2005337.662,7800471.643,1104214.697,85712167.19,4329813.292,58709892.04,12608947.84,78984712.03,8012822.628,28645460.28,75519134.24,102676914.7,9015889.276,63756342.15,12922655.44,1794438.425,8672277.146,64839643.23,165591458.5,81893814.4,17234757.95,16845296.31,41589850.1,22016582.88,132772770.8,35912259.89,25062627.59,30772846.01,10383427.66,38781418.07,69237847.32,17544876.08,1651256.797,65624637.61,9606424.748,32014717,5647407.178,41149810.83,77542556.97,13599823.28,65065978.36,27749205.31,72401786.57,32278860.08,60255726.51,60920531.71,69020644.53,18633057.51,7860972.709,46389609.3,98126208.21,31811993.98,33976655.36,32745726.19,74234282.68,14175592.48,146992825,110143729.7,75240813.36,7168930.533,850297.8174,29132229.63,16712881.08,16754359.02,78431765.62,73230144.55,61698232.56,10314043.9,23386207.84,47373280.34,21948410.97,10004286.11,77442878.62,55300924.36,55809147.76,5523377.704,12778385.42,45957317.14,25468309.48,408379080,24696663.02,61718193.17,118104889,6704453.777,52485835.47,9896784.84,17900447.99,20548189.26,40483559.48,15691023.88,10249832.34,40573549.06,18909578.24,42077351.52,18102728.45,37436748.09,61570698.97,21981842.05,26816084.02,15969959.13,49132053.3,132174585.7,8900786.528,12966560.21,36994563.03,46471355.91,25838681.39,176671851,59455281.11,100150168.7,32278860.08,24370285.11,13875111.47,57954575.67,26742439.33,31865719.9,85297334.85,26834947.85,24546543.9,69965291.23,44299312.78,75352873.11,61114854.76,32252238.41,32305481.75,18940894.58,209884748.2,19819460.59,17036237.96,40479526.11,23718042.51,56124305.57,46974296.37,7561389.384,85711524.42,17560541.18,41773871.03,71655181.38,31495298.69,11120073.82,145919347.4,14890529.41,16591015.25,20692382.36,152895223.1,26558502.25,77285424.92,35910175.94,53654287.43,51687544.15,11422927.15,41485097.75,23694548.61,9228947.084,1197849.5,2506124,4474445,3655625.364,106.4249094,2506124,106.4249094,true,true,"9H-Fluorene, 1-methyl-","1730-37-6","C14 H12",94.1,91.3,93.2,876,889,100,-0.42,true,true,"w11n17main1",134058,1703,"SemiStandardNonPolar",4,0.2,true,true,"9H-Fluorene, 3-methyl-","2523-39-9","C14 H12",94.2,91.3,93.2,882,895,100,-0.42,true,true,"w11n17main1",134068,0,"None",0,0,"9H-Fluorene, 1-methyl-","1730-37-6","High","1730-37-6","CAS-RN","DTXSID4061919","1-Methylfluorene","GKEUODMJRFDLJY-UHFFFAOYSA-N","1-Methyl-9H-fluorene","1.64E-06","Y","-",38,"CC1=CC=CC2=C1CC1=C2C=CC=C1","-","-",711.214,281.144,5.80764e-06,1.065,0.842,9.4189e-06,124.348,82.02,0.787,0.00916221,"-",125.507,5.78096e-05,"-",7.7983e-05,4.09261e-06,1.69696e-10,397.941,34.8608,275.826,0.000525252,3.28493,6.90855,7529.46,4.96942,84.7873,0.000298041,6.02659e-06,"-","-","-","-","-","-",0]
[1568115.5216419867,5225,false,0,"2,4-dimethyl-benzenamine",121.08919,7.76,1239355,106.06517,231633257,1504112,"C8 H11 N",121.0886,121.08865,84.6,75.3,100,721,871,1168,0,40947.91732,0,16057.22207,925674.7475,301292.8435,448993.5663,74049.32042,1779231.097,1028977.847,682800.1867,340559.1938,1414370.843,454943.6317,384453.4673,2159025.182,1356040.987,344670.1636,89131.09517,952724.6732,6770954.19,2875610.993,1232543.545,752840.5676,523692.4794,917944.2538,1213807.386,8273186.703,921809.5007,3290507.286,430430.5757,548660.6688,554549.811,1169677.724,3845123.552,1800584.91,401243.2994,83354.09325,342626.1348,1480355.025,1201437.742,1028301.393,194950.3309,596482.655,1533003.935,339073.4515,2419623.095,0,1676424.955,933055.1449,1318682.836,1060468.308,1001224.429,8273583.762,446558.6999,515520.1331,474315.2977,910563.8564,1221273.744,878723.6375,1372328.511,2384169.832,41013.1161,2942582.802,1481523.983,732726.7741,1697256.128,1690060.554,790244.3078,894064.6675,450184.8091,418680.099,696732.3465,1245074.885,1370263.318,774539.3679,734794.1532,2460561.076,555899.1801,2397678.04,1086328.079,940088.7021,376329.719,2567533.721,10515738.45,181516.829,304589.5604,200179.9698,10159232.91,293999.5222,157724.1204,4424909.971,2027344.923,809478.9996,1428940.315,413879.677,2843491.553,258114.4543,529078.7698,1332652.252,0,464225.3067,1770359.227,751229.7541,659710.3788,1825549.641,861449.1653,2932687.692,3225311.72,1286881.611,2760097.164,479040.9834,196495.0747,956041.2083,217288.9058,2849860.772,696713.573,374336.26,918764.7445,1388640.317,130745.9863,2319160.184,534183.1043,631660.9518,557284.1216,767268.7655,790800.2062,9373658.812,997775.1474,6264815.241,208721.0905,801265.6893,562744.3027,2637652.274,1270350.521,664575.2956,2013194.392,452048.8713,1236327.511,1342871.966,5496723.127,155836.0812,924854.2568,929732.3882,185907.0222,1471808.218,545747.4713,884502.067,4425536.341,7335521.061,5704876.842,241633.8039,5970513.269,1680193.448,489031.0418,415484,840812,1594869,1398056.752,125.3223345,840812,125.3223345,true,true,"Benzenamine, 2,4-dimethyl-","95-68-1","C8 H11 N",83.8,75.3,94.6,681,824,100,0.37,true,true,"w11n17main1",22584,1167,"SemiStandardNonPolar",1,0.1,true,true,"2,4-dimethyl-benzenamine","95-68-1","C8 H11 N",84.6,75.3,100,721,871,100,0.37,true,true,"w11n17_w11rep",4968,0,"None",0,0,"Benzenamine, 2,4-dimethyl-","95-68-1","High","95-68-1","CAS-RN","DTXSID8026305","2,4-Dimethylaniline","CZZZABOKJQXEBO-UHFFFAOYSA-N","2,4-Dimethylaniline","3.91E-05","Y","-",111,"CC1=CC(C)=C(N)C=C1",1,"Y",8.43335,219.463,2.06063E-5,1.012,0.223,0.000644169,91.605,41.159,0.784,0.00580764,"-",154.729,0.00092683,3.2434,0.00743019,0.0177419,2.60185e-11,3.82333,3.30804,216.475,1.93378e-06,0.108455,6.47551,77.0482,1.68532,-13.1838,0.129608,0.0291132,"-","-","-","-","-","-",0]
[20567680.71817218,1577,false,0,"1H-Indole, 1-methyl-2-phenyl-",207.03282,6.597,1714615,208.03142,3095829229,20102787,"C15 H13 N",207.10425,0,29.1,12.9,0,534,618,1100,0,8593913.901,7321396.418,5939369.794,14680451.72,4825295.799,22920473.92,13797749.52,0,0,35220237.21,23920100.07,0,7014174.767,16474153.5,3996887.235,7202959.874,55165067.57,45329175.44,58073005.17,0,12439948.43,30741360.84,27153155.16,0,0,44881598.12,0,0,13118848.97,14108122.8,0,23404258.11,3905976.839,30650802.38,16086887.17,19240654.24,11105616.35,33448750.63,24863169.44,15488574.61,3831237.43,13107941.45,0,8412975.061,7319634.31,24748965.5,0,0,18538601.96,26881988.51,0,14398912.69,0,16677992,0,0,29346543.41,16197817.58,13643271.73,81673548.29,7623300.72,11925849.17,0,9374186.409,8505894.145,20610072.72,12594426.22,15532088.46,22778443.3,9172335.245,14736093.09,243716936.3,9053292.311,20073859.56,27718430.04,8267446.269,37183608.08,8583233.973,15071890.54,73593767.55,0,6559427.731,18574586.45,13118848.97,391354682.8,5471644.607,11123412.18,11337918.42,13119212.27,11234061.46,16292289.32,8400976.649,6552641.899,11459498.99,16640540.03,15183376.7,18998642.56,16746738.94,29992377.88,15512612.8,126506849.6,10814338.95,12838729.06,13121048.21,0,9378519.198,23449272.47,7962258.994,8330406.592,13140646.68,9450146.703,14894615.55,10820326.83,10181388.21,12889925.65,13441118.12,16074318.91,12557455.6,8470794.927,17191510.33,12022092.25,7987257.904,8471130.94,26482059.6,14011302.61,13521761.19,7424757.875,30510465.88,19521233.13,17230232.15,13691549.91,14601516.39,21530370.51,11105975.28,16669397.58,30416338.47,10373825.31,6276083.523,188157392.1,11408664.37,9398168.329,17742907.33,1351984.007,13193549.73,13044148.22,0,8045826.396,30615060.82,9015150.265,7594919.138,19383986.52,0,13457246.73,12124232.84,1258233.25,1776388.5,2490776.5,3004621.315,208.5954673,1776388.5,208.5954673,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1H-Indole, 1-methyl-2-phenyl-","3558-24-5","C15 H13 N",29.1,12.9,0,534,618,66,0,true,false,"w11n17main1",214029,0,"None",0,0,"1H-Indole, 1-methyl-2-phenyl-","3558-24-5","Low","3558-24-5","CAS-RN","DTXSID5063073","1H-Indole, 1-methyl-2-phenyl-","SFWZZSXCWQTORH-UHFFFAOYSA-N","1-Methyl-2-phenyl-1H-indole","3.40E-06","Y","-",31,"CN1C(=CC2=CC=CC=C12)C1=CC=CC=C1","-","-",215.278,325.906,3.25837E-6,1.064,0,3.68129E-6,183.578,79.366,0.78,0.00711214,"-",128.024,2.23357E-5,"-",1.05925e-06,1.1246E-4,2.18405E-11,287.775,13.0515,357.288,1.68785e-05,1.05572,8.52969,32531.2,3.22043,83.4009,0.000102009,9.36142e-05,"-","-","-","-","-","-",0]
[24895558.559705548,1389,false,0,"(E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one",175.11209,13.484,314545815,123.08038,3787647371,24595113,"C13 H20 O2",208.14578,0,77.5,99.9,100,876,949,1485,31,54496.63649,0,0,99131.97934,0,11301496.6,14686427.22,249912.9139,16997196.15,23301886.1,77519245.14,21537257.85,9947599.076,16084633.93,13850397.87,11727555.38,1202206.094,15455754.43,20049127.16,414699.1072,964949.8795,11979873.37,26310658.92,7623078.28,13036920.39,9029500.889,10408355.34,11853714.38,25882123.78,8719560.622,13999614.65,8119093.641,116787.0083,21882868.71,31704669.97,6842070.628,0,12458769,0,13742881.53,0,6312180.337,60436472.78,20222718.75,0,15461987.52,20927701.94,29664982.26,0,22509361.78,11864835.87,9153717.459,0,7570497.003,51285858.11,63527545.15,13898810.25,80267227.34,282085.6611,4602845.934,73095803.52,7658881.606,24350985.96,8656816.267,8872332.397,13272340.11,17259417.88,953872.4112,6142222.29,11842592.88,19494455.91,5773216.153,246851.8725,27822575.35,33460280,5872383.298,212301.1955,0,22623993.24,3567239.584,13440371.98,360614.8172,24504263.95,9517575.368,85889.11028,4632445.587,21105872.42,12372030.52,1467626043,6001608.895,24021846.91,7719713.045,25146729.23,14021271.27,30936386.87,9949227.87,11920823.41,38219520.27,14099401.06,45131386.7,69279095.12,29316834.97,5808395.724,10546065.74,11853714.38,10375999.89,31353248.61,11513200.07,8392282.449,14903412.35,10006734.57,11153345.79,7434871.759,21481618.62,0,17422566.98,19050227.77,25322557.56,6319367.779,15288527.93,0,3676549.311,8706777.714,10360908.73,10072529.6,7761301.696,24431849.18,11767944.42,9795950.628,32018678.87,22625784.59,16488360.18,20480108.02,7728445.895,17373228.27,35473043.76,3127863.651,9060643.636,40303.24352,5955151.012,12237358.11,36916771.37,16166178.17,11939484.33,21951836.49,6774202.27,20370950.61,14667056.32,2990207.937,13212456.49,0,0,21679490.65,7475428.962,1675902,2730657,4657551,5873118.885,452.7569347,2730657,452.7569347,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one","23267-57-4","C13 H20 O2",77.5,99.9,100,876,949,100,0,false,false,"w11n17main1",217706,1454,"UnspecifiedColumnType",31,2.1,"(E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-buten-2-one","23267-57-4","Medium","23267-57-4","CAS-RN","DTXSID8051885","5,6-beta-Ionone epoxide","ZTJZJYUGOJYHCU-UHFFFAOYSA-N","4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one","4.78E-06","Y","-",46,"CC(=O)C=CC12OC1(C)CCCC2(C)C","-","-",132.434,250.231,8.55067e-06,1.04,0.599,2.0797e-05,116.215,58.38,0.779,0.0215774,"-","-","-","-",0.000570164,0.0064121,2.53024e-11,17.0024,3.54787,262.679,5.60378e-05,0.150109,6.56355,361.573,4.2288,95.8211,0.0185797,0.01962,"-","-","-","-","-","-",0]
[2670143.9092983436,4679,false,0,"Methanamine, N-[[1-[2-(4-methoxyphenyl)ethyl]hexyl]oxy]-N-methyl-",217.1956,19.484,12094347,217.19505,354923703,2304699,"C17 H29 N O2",279.21928,0,65.1,98,100,545,667,1865,73,4324.330349,14908.32193,3426.6457,2265979.227,1193782.85,789559.1953,2295858.831,1015250.884,3206967.828,1504832.771,13439984.24,1830311.312,65443.311,816609.5269,3486078.977,2192294.8,2350379.551,363144.7561,1113235.271,580956.4884,11146272.37,1331690.424,5447281.356,38404.09205,16118.85052,0,180933.4026,824223.726,2053364.539,1152266.477,2501306.328,994593.2103,2947929.817,1834242.566,825559.0733,235939.7736,2286349.502,229306.6015,1561070.278,557786.8922,6097796.35,450620.0601,5065796.368,684247.1257,3391380.672,1262736.637,1847531.512,9145967.51,3991242.659,432858.7321,14271495.7,786815.5061,1469207.239,338089.1117,12448440.42,270727.5252,421534.4462,643165.9017,3773687.556,1348189.478,980263.8073,373839.4485,1589753.795,2192345.769,1644155.815,534596.0714,1973982.087,283405.4835,2853181.906,569507.1591,1090567.9,1177283.796,2809363.402,1201279.288,1262736.637,67198.8842,1988372.774,363268.1112,1795163.404,723563.4265,1380730.218,677523.5254,2163040.956,215318.7542,3230853.308,1014355.137,3004322.627,3734884.074,2342402.437,694454.6253,2218115.249,1463912.598,1822915.089,506364.8367,345189.5428,1097035.761,1455068.285,2228550.084,1546988.756,709895.8332,4206200.108,4505713.138,1280669.85,914714.0629,2515536.001,424215.3188,2164040.274,1130885.382,474463.5361,1998310.047,471306.2507,184543.9574,442298.0802,1083384.939,1644531.857,6343594.825,93261040.48,716207.8678,555419.4696,305720.9297,618174.9578,1478490.576,1102271.252,1238062.199,1477399.231,636200.9709,22995080.43,251577.0336,622424.305,2777445.45,1147696.93,1006922.8,3591457.296,972940.567,1294159.854,2746304.477,87850.15698,479470.6208,2099773.359,1109593.928,437180.9922,2695001.842,3583033.867,1287411.075,0,2547714.137,1117992.268,707282.6707,1025231.058,2138117.837,4344570.195,3038421.224,4058405.671,3712684.429,339473,809135,1422657,1480578.161,201.2607496,809135,201.2607496,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Methanamine, N-[[1-[2-(4-methoxyphenyl)ethyl]hexyl]oxy]-N-methyl-","88330-51-2","C17 H29 N O2",65.1,98,100,545,667,75,0,true,false,"w11n17main1",464325,1938,"UnspecifiedColumnType",73,3.9,"Methanamine, N-[[1-[2-(4-methoxyphenyl)ethyl]hexyl]oxy]-N-methyl-","88330-51-2","Low","88330-51-2","CAS-RN","DTXSID70521616","N-{[1-(4-Methoxyphenyl)octan-3-yl]oxy}-N-methylmethanamine","MGQPSGRFZMOHBC-UHFFFAOYSA-N","N-{[1-(4-Methoxyphenyl)octan-3-yl]oxy}-N-methylmethanamine","2.86E-06","Y","-",2,"CCCCCC(CCC1=CC=C(OC)C=C1)ON(C)C","-","-","-",341.173,"-",1.137,0.53,"-",63.092,27.64,0.757,1.89234E-3,"-",146.604,"-","-",7.11214E-5,0.000130017,1.66035E-11,593.97,4.77565,323.926,1.18683E-6,2.932,7.88214,2593.92,4.09919,-12.3657,2.934E-5,4.16589e-05,"-","-","-","-","-","-",0]
[1221877.5797642386,5397,false,0,"Phenanthrene, 4,5-dimethyl-",190.07831,22.041,1863456,207.11221,197824509,1284575,"C16 H14",206.109,0,65.9,86.2,87.4,570,590,2049,0,3125.932978,5385.453193,2649.274285,642546.2456,294861.3737,548193.1019,2041831.148,3214222.813,1602927.838,488232.5779,1476505.619,1208534.371,1159656.739,266509.3756,284375.7102,471596.3552,211091.9458,803488.8493,403693.5874,1055890.565,752572.9158,720358.2477,564095.4173,1502935.196,636226.3232,388127.0272,590997.4284,2268281.971,693892.6495,116723.144,420765.6041,1060048.969,1211953.556,759173.01,144713.919,84337.69046,220408.0554,114316.5343,999520.0756,2098546.516,994331.1986,28225.77535,1258145.711,639386.2844,449886.7824,123927.5352,1593331.203,814355.1676,295072.7392,390684.5014,1386744.787,35579255.95,585945.4896,341157.1381,1912692.88,2198386.214,1835140.642,130229.5928,1406775.996,712289.4511,428309.045,312629.719,1055903.711,879974.647,692827.0792,431737.0399,0,188464.8759,167610.3488,161998.9585,0,1434353.927,5185098.408,2461139.263,855009.1088,147679.3189,465893.5532,158620.1766,186648.4726,1017132.475,3029869.088,0,820286.0764,1753901.297,378500.2524,92315.5738,418679.801,7859336.753,535208.8397,241146.8549,1389472.234,720499.4439,1084914.594,238998.7516,755909.758,639386.2844,337689.0723,1099266.818,461850.5557,761110.2827,300481.2521,1027447.266,569714.8357,718585.072,497441.7335,547568.7812,6329119.233,2419020.3,138149.1974,555153.9231,269022.1124,1317855.806,3934045.276,115613.5905,2416696.583,1404115.437,0,1440676.846,1469953.833,1565115.648,663141.9139,219474.9765,335362.0249,840095.7475,236302.6204,1391209.964,3402385.183,333002.167,2729751.942,868487.7876,1828316.278,343542.3193,795113.6881,359296.5557,1317584.583,959560.8212,128543.9714,262329.34,788960.0309,690190.146,417774.0524,377285.0094,947190.6866,165520.5407,10901308.83,1076428.412,350206.7327,447092.0089,135511.561,40513.62487,93602.23314,323710.2267,615630.6549,35821.22228,124281.5,252695,502589,510986.4762,280.2926172,252695,280.2926172,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Phenanthrene, 4,5-dimethyl-","3674-69-9","C16 H14",65.9,86.2,87.4,570,590,100,0,true,false,"w11n17_w11rep",16132,0,"None",0,0,"Phenanthrene, 4,5-dimethyl-","3674-69-9","Low","3674-69-9","CAS-RN","DTXSID20190199","Phenanthrene, 4,5-dimethyl- (8CI)(9CI)","GWWHAAHVHHLOQW-UHFFFAOYSA-N","4,5-Dimethylphenanthrene","2.74E-06","Y","-",12,"CC1=C2C(C=CC3=CC=CC(C)=C23)=CC=C1",5,"-",561.048,363.96,1.79473e-06,1.074,0.705,1.01859E-6,162.712,124.41,0.756,0.00590201,38.345,121.48,2.15278e-05,"-",4.52898e-06,1.24738E-6,3.08046e-11,1011.79,54.6064,347.341,3.32428E-5,2.30079,7.87102,17764.8,5.42286,156.864,5.57392e-06,3.16198e-07,"-","-","-","-","-","-",0]
[3051643.036696028,4214,false,0,"Naphthalene, 1,5-dinitro-",218.20335,16.66,774644,126.14038,487132227,3163196,"C10 H6 N2 O4",218.03221,0,24.4,8.4,18.9,553,795,1678,0,0,86284.70206,0,3599544.131,349469.9531,464293.4428,1059412.74,3815377.275,713597.0279,9061490.409,8078130.061,4409396.284,1101432.499,2057932.166,2368048.751,1963231.097,2122274.923,1115242.319,1619519.586,2968862.24,5322783.935,661975.85,3143342.223,1077270.334,555806.0856,228317.7993,1002037.136,8536111.318,368073.991,10326083.83,4657210.387,3964529.243,417921.4414,1791375.342,1579551.526,411394.6279,612476.1793,505070.9363,2696510.358,664304.3,1588358.373,1871956.252,5951249.502,2698950.516,905852.0951,2063305.019,2061856.049,42479184.07,733762.0076,1806882.022,24988954.94,4266895.1,1536886.416,587464.8915,9541229.853,1645317.227,1775868.662,1529413.488,3463056.055,352268.8032,4502928.876,729715.552,3436325.785,1177447.578,1062452.516,762976.9435,4850924.054,1036697.182,2093399.472,617209.8894,3209724.273,4219790.572,7294700.302,3131240.202,4358427.465,2602728.86,1964064.879,2226873.634,1791375.342,2300019.517,2974396.602,7775325.744,4697265.544,1168094.908,1827192.354,556919.7298,1061999.868,838146.1394,4580442.026,1673403.643,1994587.789,1505862.736,1515271.586,1663527.208,810345.6126,829578.9429,840016.4795,2363101.93,2946128.49,1091748.665,1779929.9,5130192.119,901540.2767,928987.5171,7205116.209,682185.7554,8789554.009,3967069.198,529960.856,2461606.507,755165.3854,1739868.255,1101334.158,1177644.033,1242579.189,14400331.43,7990789.509,2275871.892,1519610.449,1872608.056,1307100.663,1528787.302,732089.7723,595219.6894,2759699.746,463206.1279,5788868.631,2750701.623,3821891.217,2286201.245,2443064.418,9512698.794,1046734.42,392472.2509,684128.5428,14605488.64,488024.924,853613.7409,1557476.524,1774522.35,1476105.139,7364285.934,1697988.998,2855844.077,1799026.828,1051208.829,3558110.617,1797646.294,166249.5716,1785104.389,920058.1016,3820658.597,3723750.042,3617633.819,184824.5,351695,728906,633246.1325,150.5809197,351695,150.5809197,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Naphthalene, 1,5-dinitro-","605-71-0","C10 H6 N2 O4",24.4,8.4,18.9,553,795,50,0,true,false,"w11n17_w11rep",16759,0,"None",0,0,"Naphthalene, 1,5-dinitro-","605-71-0","Low","605-71-0","CAS-RN","DTXSID4025165","1,5-Dinitronaphthalene","ZUTCJXFCHHDFJS-UHFFFAOYSA-N","1,5-Dinitronaphthalene","6.41E-06","Y","-",50,"[O-][N+](=O)C1=CC=CC2=C(C=CC=C12)[N+]([O-])=O","-","-",9.88553,338.066,3.2434e-05,1.474,0.639,5.11682e-06,189.181,145.924,0.756,3.55631E-3,"-",139.102,3.20627e-05,11.695,9.44061e-06,0.000179887,2.27376e-12,44.131,11.6906,329.873,4.69337e-07,0.190368,7.32675,2643.63,2.58035,217.487,2.01048e-07,6.31675e-05,"-","-","-","-","-","-",0]
[13660896.585211983,1842,false,0,"Drometrizole",225.09,22.271,298196966,225.08945,2452776193,15927118,"C13 H11 N3 O",225.08966,225.08945,96.1,96.8,98.9,869,885,2067,4,0,8215.363951,1617.064067,3357400.346,850807.6814,696522.2179,3020223.49,8879441.596,5076573.63,4555026.516,22954549.12,4152049.742,2939992.536,870119.9453,0,3127914.976,1102350.402,2165583.32,2363451.866,5474896.322,1742448.525,1718240.535,2805029.002,6117667.039,4296954.549,263470.3148,2080848.104,10125075.43,1740134.649,394867.601,5692660.897,88728.32028,1186728.86,1594452.194,7533731.411,211434.6653,6122837.469,2994486.822,10464963.71,4350284.768,6326178.425,250261.1377,5011557.714,2872510.769,2188304.925,1383410.762,5103183.407,2381458.403,2896982.661,1516481.808,8273565.339,2321824.67,2848038.877,1928776.867,20332415.28,9497968.881,4464367.075,1523294.227,6738571.67,2286926.903,1814276.089,1205417.016,4817275.761,3396468.655,92900.26323,937091.9615,8849926.702,13142840.11,2467298.888,601177.5526,9223125.565,2993613.376,7755079.349,2333246.928,2731878.514,857542.5835,3693652.918,526410.4783,1184287.177,2930294.072,1505725.836,3389400.574,11896408.51,1538134.317,2989332.248,312490.8635,1355795539,1844364.451,3971116.434,1776874.063,68428179.01,3564901.045,4332129.086,1720763.926,39431313.84,1193530.505,711345.2357,24734013.3,2872510.769,1132905.55,1201996.356,3578395.485,3361561.471,5449635.151,4664679.744,171322.1043,33093687.23,2568017.453,441424.6029,2972923.409,752037.7023,8556930.086,1854271.589,3274852.418,4385557.675,4548792.351,0,9013896.748,1663709.503,4782502.157,4789584.068,2829533.687,13536169.03,3406534.069,3708526.987,508272.1225,11006935.35,3062643.217,2193301.55,5757411.51,7472232.177,2489676.152,1900832.116,901581.2236,6042947.416,5516107.197,1424401.615,936734.4807,1624624.099,2915487.852,1870649.686,5524659.448,5470189.436,1591770.777,1613954.02,2271141.869,2608099.192,4038334.953,905526.8597,1258556.749,1349535.699,9864312.851,5826382.579,2289730.199,271379,513180,895958,2911445.839,838.352843,513180,838.352843,true,true,"Drometrizole","2440-22-4","C13 H11 N3 O",96.1,96.8,98.9,869,885,100,-0.96,true,true,"w11n17main1",275027,2063,"UnspecifiedColumnType",4,0.2,true,true,"Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-","2440-22-4","C13 H11 N3 O",93.1,96.8,99.3,719,958,100,-0.96,true,true,"w11n17_w11rep",17344,0,"None",0,0,"Drometrizole","2440-22-4","High","2440-22-4","CAS-RN","DTXSID1027479","2-(2H-Benzotriazol-2-yl)-4-methylphenol","MCPKSFINULVDNX-UHFFFAOYSA-N","2-(2H-Benzotriazol-2-yl)-4-methylphenol","5.66E-05","Y","-",122,"CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1",40,"-",42.462,360.439,1.95434E-5,1.29,0.387,5.17607e-06,178.904,119.433,0.735,3.11889E-3,"-","-","-","-",2.54683E-8,0.00012331,1.59211E-11,22.1489,4.06544,322.083,2.80876e-08,0.370114,9.80151,1341.75,4.30517,132.043,8.51437e-08,7.44877e-05,"Y","-","-","-","-","-",1]
[3754548.5233328477,4064,false,0,"Retene",234.14078,24.164,6741912,204.09325,536214354,3481911,"C18 H18",234.1403,234.14023,94.7,93.6,96.3,861,886,2215,17,198890.3969,126044.2894,82634.19027,2008946.891,327528.9994,1408596.264,6769743.768,0,4167023.263,7999703.399,6739435.869,7045301.931,2728441.731,885105.7231,435128.4563,1934430.739,694247.9748,4648404.598,641526.9231,2002043.36,85349.56374,5495599.208,1737295.287,1687823.87,4781616.309,1253297.918,5030329.999,7011235.003,9214926.806,953517.1926,5835802.069,199898.3537,0,1417432.862,4304211.326,794836.2867,1593037.532,2955001.356,8716721.545,5588075.113,0,805030.1328,26415409.17,0,3586670.125,1968237.05,4345075.629,317222.1734,39557.08277,2216364.749,12908475.24,10518305.43,237030.6217,6076111.944,15622280.51,7951858.228,491611.2966,1162131.068,194224.3691,142379.4139,1123685.394,6155583.348,0,62771.91891,3068667.914,1969881.481,4270010.167,11329866.39,3121034.551,1966592.618,1958903.483,0,4594701.136,1628658.511,3002568.535,570263.4602,4050094.317,2060128.298,1092452.412,202607.5721,0,3832771.133,3759508.817,1727079.932,8938217.871,2294946.603,2062113.662,20771832.9,1445966.769,870660.9636,8966854.95,121839.1454,22674787.36,1258720.651,2238748.848,60876.5166,1521707.203,3312974.185,0,4457725.386,948468.0886,2265701.955,3691762.463,1763385.777,2283804.646,2479126.172,1200504.043,6582533.487,792466.3338,1968237.05,1958051.894,12105016.66,1208364.17,727896.5621,1950653.056,10232477.97,1108870.448,3306679.265,83322.7958,19757113.26,2890080.517,51353.28294,8816183.368,2226270.162,1449665.354,3233180.355,6540839.47,101188.5598,1294097.653,3311791.747,0,110286.4424,2372663.826,373074.112,3432775.31,19928571.79,981510.2452,1296275.662,1985821.043,11015515.27,8980397.103,1932401.444,2518793.489,469774.6538,34228305.93,1340389.223,1816083.593,3061610.128,2292554.735,654296.1633,1633531.938,2464982.966,0,1082729.267,214829,446936,931797,794322.8298,128.8512784,446936,128.8512784,true,true,"Retene","483-65-8","C18 H18",94.7,93.6,96.3,861,886,100,-0.32,true,true,"w11n17main1",307097,2198,"SemiStandardNonPolar",17,0.8,true,true,"Phenanthrene, 1-methyl-7-(1-methylethyl)-","483-65-8","C18 H18",94.1,93.6,96.5,831,887,100,-0.32,true,true,"w11n17_w11rep",17825,0,"None",0,0,"Retene","483-65-8","High","483-65-8","CAS-RN","DTXSID7058701","Retene","NXLOLUFNDSBYTP-UHFFFAOYSA-N","1-Methyl-7-(propan-2-yl)phenanthrene","2.46E-06","Y","-",54,"CC(C)C1=CC2=C(C=C1)C1=C(C=C2)C(C)=CC=C1",2,"Y",657.658,391.625,4.79733E-7,1.072,0.817,2.05116e-06,168.502,109.637,0.73,0.00608135,36.085,119.954,8.60994e-06,"-",1.59956e-06,3.14775e-07,1.99565E-11,1014.32,27.4953,389.89,8.55079e-06,2.23003,8.53031,110914,5.54246,101.257,9.29794e-07,1.50117e-07,"-","-","-","-","-","-",0]
[1608615.3153384961,5189,false,0,"Acetic acid, trichloro-, 1-methylethyl ester",188.92763,5.186,236265,55.04169,237484334,1542106,"C5 H7 Cl3 O2",203.95061,0,72.7,92.5,95.3,786,801,977,32,15396.93653,44248.73492,11947.58005,1247230.093,309377.1481,0,351688.2232,2798008.413,4243067.07,528571.7926,9297.096963,1137932.838,16996926.81,326771.0749,240295.4737,49363.47346,52626.0781,0,5192362.341,3145731.113,31200.3147,2190709.705,850923.0993,4352868.305,3182677.458,213226.4653,3828218.932,2118040.289,760995.5553,814341.9121,1157669.01,92229.14771,1002632.208,0,461232.3216,15586798.58,689747.4459,241650.6173,4287041.711,2163052.325,1256458.921,108178.5912,103628.7893,647941.7774,329944.4238,0,20532.13178,104005.1682,51886.99599,18512.53133,139214.8596,2264774.834,917959.4598,1001785.643,2269513.236,777229.8998,1367136.185,1676274.043,34998.37092,27029.17506,1245234.01,141996.065,4784148.385,136315.9388,602264.9921,1956652.45,66746.09281,117750.9319,26834.87362,1693549.852,3447550.147,1634663.75,689747.4459,1103708.904,536378.4917,2540204.714,3506376.643,637755.3069,7432873.481,84780.42617,36881.11226,1466081.599,34260.27789,1736990.295,976778.9532,434495.7841,690124.0795,967932.5229,141653.2006,56570.79906,44007.06286,12240504.42,8291285.882,3487760.027,704149.7777,40759.9917,234612.5912,219577.3369,852021.8884,94333.32288,88557.90428,697274.5447,0,583342.9076,1870165.898,0,280152.9313,5794693.768,67215.7101,2337644.972,0,167564.0262,1917140.343,986747.4839,16838212.1,6572773.298,100425.6659,1206149.135,2375573.99,118157.7502,16669517.28,3556234.57,0,2444517.943,889696.0668,109287.4972,116115.4655,2436787.79,100421.455,175225.9223,1073109.024,229328.5707,15932.97888,1316797.804,57375.56755,552795.9392,1055337.989,1631007.517,678903.8616,1184979.906,1009360.265,346372.5389,33237.65723,0,923961.1828,63740.33731,0,430781.008,118157.7502,849779.9281,503450.5509,1867318.807,700591.0303,851172.682,98159,583130,1194105,1277957.624,194.3464642,583130,194.3464642,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Acetic acid, trichloro-, 1-methylethyl ester","3974-99-0","C5 H7 Cl3 O2",72.7,92.5,95.3,786,801,100,0,false,false,"w11n17main1",200049,1009,"UnspecifiedColumnType",32,3.3,"Acetic acid, trichloro-, 1-methylethyl ester","3974-99-0","Low","3974-99-0","CAS-RN","DTXSID1042073","Isopropyl trichloroacetate","JYXIYFNAIFVCAN-UHFFFAOYSA-N","Propan-2-yl trichloroacetate","2.87E-06","Y","-",28,"CC(C)OC(=O)C(Cl)(Cl)Cl","-","-",15.7761,176.357,1.02802E-5,1.483,0.804,0.000290402,52.335,17.047,0.729,0.0102565,29.054,116.699,2.208E-4,1.25026,2.23872,0.0302691,6.53055e-12,8.23063,4.77842,175.076,0.000352007,11.9048,4.53708,71.0356,2.42476,-5.87904,3.43663,0.0661687,"-","-","-","-","-","-",0]
[4522271.04161541,3734,false,0,"2-Naphthyl methyl ketone",170.07295,15.683,24794909,170.0724,653778835,4245317,"C12 H10 O",170.07262,170.0724,89.9,81.9,81.3,859,893,1616,12,2663.087656,3648.276153,0,2931398.911,682587.1384,1119927.318,117875.1739,3971716.538,108418.8684,6805101.617,2645809.182,2700730.164,2482016.669,0,1902087.803,2621659.948,17331.39278,5247226.435,1500517.262,9245042.376,92947.73242,2624453.434,3190151.334,50754.00713,1964576.931,551119.6879,0,19268415.05,762728.0563,1933332.367,0,1953052.354,708372.1444,15224783.23,3547447.452,5863367.35,143500.6868,6448192.699,259850.4067,4104411.123,78106809.36,1278119.621,561569.7993,610527.9046,421388.7636,3352991.471,2156807.319,9088516.053,19921.45811,1050783.23,11868622.08,4639102.906,1088739.797,1734646.77,13019329.06,2224805.855,5252467.258,1125508.088,2652681.296,160389.3005,420838.8634,1362384.495,2619757.061,3326722.171,132593.5766,5853806.135,4386003.279,59559.60618,122876.3975,925344.1278,2132017.964,1240153.427,3324968.942,1642878.537,4789185.193,13196.98731,72741.0734,4038225.569,3571609.224,107779.1498,4585735.393,1684237.355,2908967.322,985014.7252,1377722.686,725402.66,1058318.81,3753675.852,3953905.228,2045837.059,1982190.497,105448.2826,376643.3691,543771.4276,2943990.385,4942016.516,3324462.232,2386928.135,1239195.607,1280096.509,1933332.367,34707994.05,8279375.462,993827.7304,8458529.444,761127.6103,2213892.21,11681169.19,679982.6533,11735023.1,655743.1357,93065443.52,92247.54184,903149.1136,11342982.36,4426925.29,8441652.151,2123557.228,922112.7966,388358.7527,4366953.163,2093296.741,1060608.795,45220859.21,52791.37452,773139.443,5502162.978,864300.8762,605202.7099,1773367.994,6858185.339,5197584.365,5532103.304,0,14045281.52,5256483.426,505059.1788,8612.681427,11171573.11,616239.4671,44847.16101,2119831.399,2553438.393,0,3103446.762,1418249.688,989543.6186,1767478.439,307224.3384,11332786.46,794759.1028,3314172.479,4256085.999,0,181164,528104,1209716,1171599.786,219.3748595,528104,219.3748595,true,true,"2-Naphthyl methyl ketone","93-08-3","C12 H10 O",89.9,81.9,81.3,859,893,100,-1.26,true,true,"w11n17main1",109107,1604,"SemiStandardNonPolar",12,0.7,true,true,"Ethanone, 1-(1-naphthalenyl)-","941-98-0","C12 H10 O",89.8,81.9,81.7,854,858,100,-1.26,true,true,"w11n17main1",109071,1580,"UnspecifiedColumnType",36,2.2,"2-Naphthyl methyl ketone","93-08-3","High","93-08-3","CAS-RN","DTXSID2041389","2'-Acetonaphthone","XSAYZAUNJMRRIR-UHFFFAOYSA-N","1-(Naphthalen-2-yl)ethan-1-one","8.49E-05","Y","-",100,"CC(=O)C1=CC2=CC=CC=C2C=C1",1,"-",22.5944,297.278,3.53997e-05,1.132,0.631,2.6485e-05,160.063,62.899,0.727,0.00781628,43.024,130.549,7.94328e-05,6.5013,0.000756833,0.000353997,2.44243e-12,121.134,5.32868,299.504,1.7558E-6,0.114834,6.90602,850.955,3.0504,49.4418,0.00060966,1.57354E-3,"-","-","-","-","-","-",0]
[4738704.6092725145,3621,false,0,"5-Hydroxymethyl-2-furaldehyde",126.03176,8.863,1910225,71.01279,700283078,4547293,"C6 H6 O3",126.03115,126.03121,95.9,98.7,100,819,828,1230,0,34827.54078,227613.1303,334365.0326,127315.3844,1267512.098,5286506.934,5118511.88,1055708.445,1173816.142,7338038.937,293236.4254,1205605.138,711721.3864,2199779.157,193162.611,536449.3764,255452.8516,2059149.254,3761365.883,1088299.822,760184.8735,3131614.577,1834700.927,1872523.903,688955.601,1961267.66,2068503.805,1296784.923,927545.5852,125145.8056,2282308.598,8557276.704,763999.7483,1929207.585,3582199.848,664467.9314,277239.2253,3339915.455,4060975.016,1236558.618,96982.98915,859681.9062,2144606.308,844184.8873,198619.0921,75419818.46,594632.4844,4260519.459,184098.8446,2257002.103,4828095.081,1024074.37,3700612.174,2270778.16,1145373.007,14643925.57,503879.3544,28634451.86,264767.2698,568487.8063,1430620.658,179927804.5,2200097.693,643247.7646,219493.2103,1391225.12,1059635.739,1327744.23,55323.06015,1037843.516,1396479.394,910102.0016,57468374.12,1527564.451,1251169.624,1035984.167,333736.4402,805107.4356,525687.3917,1360028.492,78022.86382,1428493.255,1224096.495,799602.3796,395700.9487,2194685.399,1245946.58,1559275.624,0,1325774.552,1591639.386,774013.8915,226288.7961,17464899.43,1319390.831,0,28145800.99,1623604.603,1017074.23,941911.1049,1236558.618,775103.4824,1556442.688,785925.9749,1726282.519,878240.5418,1042153.465,2751338.148,24292104.53,2167521.374,417891.3116,2106665.102,1808004.165,697910.3391,877669.1115,1675322.14,1856981.91,10757722.6,613579.3479,1572651.862,897267.0047,1138432.027,1215063.198,1258054.038,301108.8298,1412743.233,932750.5072,626889.2131,1061767.5,1623255.045,1548110.022,60827350,1765542.371,1635815.041,2076408.144,6692344.49,837529.5033,1397292.473,1666906.807,407582.8095,80121.08913,1318217.742,277712.1771,1025951.683,3761415.577,138892.5319,1920295.805,1146183.967,477542.989,636894.4663,237268.6682,15036427.93,1549701.177,278399.0422,507451,1018363,1429162,3776521.02,385.5124879,1018363,385.5124879,true,true,"5-Hydroxymethylfurfural","67-47-0","C6 H6 O3",94.3,98.7,99.6,738,751,100,0.53,true,true,"w11n17main1",26800,1233,"SemiStandardNonPolar",3,0.2,true,true,"5-Hydroxymethyl-2-furaldehyde","67-47-0","C6 H6 O3",95.9,98.7,100,819,828,100,0.53,true,true,"w11n17_w11rep",5506,0,"None",0,0,"5-Hydroxymethylfurfural","67-47-0","High","67-47-0","CAS-RN","DTXSID3030428","5-(Hydroxymethyl)-2-furfural","NOEGNKMFWQHSLB-UHFFFAOYSA-N","5-(Hydroxymethyl)furan-2-carbaldehyde","1.74E-05","Y","-",92,"OCC1=CC=C(O1)C=O",1,"Y","-",208.382,0.000311172,1.237,0.134,0.000582103,74.963,37.547,0.725,0.0111944,39.421,181.557,0.00530884,7.09578,0.0152405,0.211836,2.24588e-11,5.30771,3.55214,223.832,2.30465e-09,0.255938,5.74612,33.3882,-0.00684542,31.6599,0.00365634,0.142971,"-","-","-","-","-","-",0]
[9546780.979133114,2382,false,0,"Anthracene, 2-ethyl-",206.10957,21.709,548722,109.06481,1603069290,10409541,"C16 H14",206.109,206.10902,72.1,43.8,77,728,860,2024,0,31160.92084,20993.94364,14566.90551,7045360.82,1467150.188,7178216.163,4088897.399,6622375.673,10041565.87,8206270.514,10281989.72,6089782.88,10840057.36,1222084.036,32101887.08,4814290.605,349518.088,1925097.268,8482806.021,3514559.986,50194878.62,3761000.03,6759887.786,6046020.809,5369046.444,139927.27,160955.0464,34839975.63,1072272.765,1382194.039,4713516.21,3177479.714,1894073.222,7560975.507,1598929.904,7417904.663,6067901.844,3195185.167,6561929.481,25485388.91,18797054.52,1122669.529,64711091.07,12868194.7,11977977.36,2572151.03,35001630.13,1798536.444,43727604.69,2649432.049,9360184.573,4063087.953,6035618.124,696671.0038,6100185.565,21285507,8522060.816,837663.7288,6805960.293,7780349.376,3379013.26,5929424.144,11326353.03,6920537.69,8619060.275,1493591.933,15369393.42,2793269.688,1289666.079,649263.8418,8817756.33,2957699.662,4302627.279,8442786.268,6492927.762,815487.1654,8031662.71,1951483.954,6686575.965,16311636.48,33393620.48,3844738.631,10403630.89,7362924.798,6896564.698,1365576.95,2250920.125,7299360.227,2570234.566,10644579.62,7246236.768,3712522.794,3476259.174,6630813.543,3891675.827,3097338.606,23096752.82,5369762.449,19436186.99,959731.3162,5116441.189,7289119.906,2965639.088,12238474.62,6067901.844,821912.465,3890404.153,6649372.333,659109.5248,37561153.92,2164235.949,23827200.39,4011815.543,14635388.64,6248962.245,55369608.3,80815592.32,6947039.355,14554270.2,2774550.436,6800588.724,8375296.207,5521800.94,9800301.892,5886841.444,512344.4786,5881277.082,16369486.49,19518076.32,6773183.005,3938108.669,5446523.369,990929.0048,583581.0106,3165106.609,51752751.63,469352.9036,7999980.321,14856953.17,6828523.374,11875005.06,3800177.365,3869820.05,5213334.978,2883764.27,12462718.79,4362375.427,1399102.133,779659.5473,624315.81,5494825.419,22143496.2,16352870.98,20308631.86,397763,772291,1398770.5,1351137.987,138.9746957,772291,138.9746957,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Anthracene, 2-ethyl-","52251-71-5","C16 H14",72.1,43.8,77,728,860,100,0.11,true,true,"w11n17_w11rep",16148,0,"None",0,0,"Anthracene, 2-ethyl-","52251-71-5","Low","52251-71-5","CAS-RN","DTXSID40200289","2-Ethylanthracene","ZXAGXLDEMUNQSH-UHFFFAOYSA-N","2-Ethylanthracene","2.12E-06","Y","-",25,"CCC1=CC2=CC3=CC=CC=C3C=C2C=C1","-","-",445.656,369.081,1.49624E-6,1.098,0.785,9.2045e-07,176.958,110.22,0.719,0.00864968,37.439,125.088,2.60016e-05,"-",4.64515e-06,7.60326e-07,3.10287e-11,1581.87,26.0985,355.763,3.1097e-05,3.18688,7.92675,17664.1,5.84851,108.293,5.2483e-06,1.30363e-07,"-","-","-","-","-","-",0]
[9561481.842065101,2555,false,0,"9,10-Anthracenedione",208.05228,21.077,34193038,180.05679,1418131690,9208647,"C14 H8 O2",208.05188,208.05173,95,91.7,91.8,915,919,1977,6,9092.714303,44848.80332,0,4537693.305,567315.3332,1630096.21,32644366.83,11087991.35,20561761.47,2713039.447,0,6241766.591,8799668.781,1612534.385,1995923.815,3425788.052,12323.26514,7454530.506,3937208.24,7694037.616,21276300,9728393.15,1035501.01,8234457.306,9695537.357,2600968.019,2646714.041,14105432.54,5049592.511,1515138.338,4874865.355,10359367.39,7459373.214,1561355.738,4237450.773,1030286.707,0,1510469.13,12924273.29,11195659.19,0,873112.6708,129578746.3,2325478.265,0,7893469.012,13743667.63,20202499.41,847320.2745,3977727.969,4233497.315,14745522.51,4241404.23,3112151.839,17301823.2,71138809.8,6817559.652,7076033.338,8069000.739,4211487.861,954275.98,2034350.607,3042307.421,11610586.76,3678408.133,4420621.396,12055959.69,0,3998051.114,2248486.859,5367477.617,2686015.326,34700052.5,5250321.452,19476165.64,988970.2556,23984.96914,621788.2131,1432197.917,8592335.544,7051906.104,6148912.337,8735490.951,2340726.176,16363042.82,2680756.037,4882365.491,5478341.246,230211.4799,2418254.598,9518885.048,3012539.439,11798952.92,1980353.316,8375085.573,3204113.527,6183569.577,8811029.296,1876362.086,4237450.773,3451825.97,9286104.679,3808940.569,1487445.291,1871419.413,222374989.5,1891190.104,90713702.68,4706855.089,12516941.16,1592522.608,4816718.994,140040.2225,1982993.744,10797927.95,19632103.74,25202929.81,19141806.37,2714222.524,5126733.23,31393913.42,0,1887317.937,5752385.184,3348168.315,2262636.687,11532277.22,0,1944657.528,7553303.765,887962.8249,6714233.491,13317492.52,1698098.68,33403661.2,2371424.528,676160.0979,5446014.612,6809330.583,6559122.726,2528958.682,5519886.166,3082960.521,1713920.341,8097152.444,2189475.436,8574218.675,3276260.541,5882872.099,34742.19315,1085733.578,2706067.962,5801911.438,1616824.65,343241.75,745680,1600614.75,1681959.153,231.2839952,745680,231.2839952,true,true,"9,10-Anthracenedione","84-65-1","C14 H8 O2",95,91.7,91.8,915,919,100,-0.74,true,true,"gc-orbitrap contaminants library-2017-09-18",609,1983,"AnyColumnType",6,0.3,true,true,"Anthraquinone","84-65-1","C14 H8 O2",94.6,91.7,92.2,895,899,100,-0.74,true,true,"w11n17_w11rep",16223,0,"None",0,0,"9,10-Anthracenedione","84-65-1","High","84-65-1","CAS-RN","DTXSID3020095","Anthraquinone","RZVHIXYEVGDQDX-UHFFFAOYSA-N","Anthracene-9,10-dione","6.99E-07","Y","-",147,"O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2",9,"Y",101.158,357.578,2.85759e-05,1.281,0.517,1.97697e-05,184.561,168.596,0.714,0.0150314,"-","-",1.76198E-4,13.366,1.98153e-07,4.15911e-06,2.4234e-11,6.8013,16.6988,376.901,3.04651e-07,0.219696,8.41405,3707.17,3.38871,284.565,1.16289E-7,3.29065E-6,"-","Y","-","-","-","Y",2]
[10583372.710999211,2304,false,0,"Benzene, 1,3-dimethoxy-5-methyl-",152.08377,9.583,22967156,152.08322,1700313901,11040999,"C9 H12 O2",152.08318,152.08322,95.8,99.6,100,795,797,1269,97,87221.60914,656037.7218,30346.72333,3173912.649,5194892.354,502378.5108,20520386.94,14898179.24,2401582.573,4571037.729,57502.45568,12303289.5,13688133.93,0,9036258.401,5627501.683,10851699.04,7681380.734,2813315.481,24833377.61,4872328.306,14024399.65,5894478.863,2648860.547,0,12495133.86,18635929.42,3581379.493,7650693.086,12373263.08,7968491.404,109336009.4,10482693.53,4968313.077,16239744.79,6274585.972,288847.7627,146076.0983,22566017.68,5760990.273,455106.4455,196656.379,4489046.345,7350492.619,1801434.961,0,5909677.399,5094618.346,1800041.863,5594882.835,62191646.72,10112032.54,5612303.147,33681.90359,11385962.54,3306563.097,4783857.358,3482908.096,9511521.151,1782788.336,17436608.84,16612789.16,6343469.067,100804995.3,6358418.32,26373114.85,0,0,8258478.845,0,6940622.796,3675045.054,5760990.273,0,8971257.13,6466648.286,4512884.806,5146222.718,5449816.15,7107240.001,15606385.1,3265736.655,6442186.16,2683292.107,5825200.436,11395793.96,5417547.625,30658710.44,1992966.702,12049118.74,10122883.91,5309744.599,6000233.448,2225142.868,79457.15762,1806944.024,16803387.06,0,2931649.233,10309926.17,5903801.458,230471.6771,5183737.019,6204670.822,3468664.118,0,290619.0876,38916954.57,9711962.217,14497502.83,0,23215865.32,19299784.79,25777.46165,68021.26714,67114936.22,5246041.556,280123.2455,1232151.442,27296320.33,256114.6069,2928408.928,39324195.81,406491.0878,3599717.032,38428386.72,11416521.59,1561986.239,5889981.353,0,9864219.67,7707687.51,42155954.09,10896947.31,34329898.41,12358297.5,5631999.193,10104229.04,18362343.95,7940159.287,4473490.929,78697053.89,3086919.852,3739552.431,26145917.63,6328259.339,6489889.268,27535886.88,2023868.548,1576349.065,1941802.131,2127286.673,4031814.768,2137048.005,405608.75,817811,1811018,1624518.271,168.8082581,817811,168.8082581,true,true,"3,5-Dimethoxytoluene","4179-19-5","C9 H12 O2",95.6,99.6,100,786,789,100,0.26,true,true,"w11n17main1",66521,1274,"SemiStandardNonPolar",5,0.4,true,true,"Benzene, 1,3-dimethoxy-5-methyl-","4179-19-5","C9 H12 O2",95.8,99.6,100,795,797,100,0.26,true,true,"w11n17main1",66523,1172,"UnspecifiedColumnType",97,7.6,"3,5-Dimethoxytoluene","4179-19-5","High","4179-19-5","CAS-RN","DTXSID8063339","3,5-Dimethoxytoluene","RIZBLVRXRWHLFA-UHFFFAOYSA-N","1,3-Dimethoxy-5-methylbenzene","1.02E-05","Y","-",36,"COC1=CC(OC)=CC(C)=C1","-","-",18.1552,217.425,9.2683e-05,0.995,0.617,0.00033037,80.578,25.512,0.709,0.0107152,32.966,139.111,0.00104472,2.15278,0.117761,0.0146893,6.26189e-11,6.59682,3.81815,243.818,6.90619e-06,2.29542,4.85427,1065.96,2.65119,30.1197,0.0233358,0.00641653,"-","-","-","-","-","-",0]
[2862083.6883742665,4524,false,0,"Dibenzofuran",168.05737,14.644,2953306,140.06207,397795947,2583091,"C12 H8 O",168.05697,168.05682,90.6,86.3,96.2,806,876,1554,28,8751.041227,6502.944323,5769.966406,372617.1695,472516.3523,988436.4101,1694170.804,1958492.435,358615.9742,0,1020578.095,7190787.104,1193994.458,0,687890.5026,2613702.577,1103324.723,4598790.741,996113.078,3128479.858,5291422.458,2617929.106,448736.129,437016.1253,1307580.79,0,1026209.105,1023393.6,1617841.483,1442424.83,1003075.811,9955973.001,8567519.933,0,1470165.843,752509.9685,7433.337577,0,2076496.953,650455.806,134926.0332,431288.6514,1389252.025,1785959.644,442271.7869,1501507.222,833818.7339,756284.8632,250136.3616,1028007.466,5347589.302,2532110.722,3335088.049,5877.492957,3122356.41,579896.6359,1080308.238,56768.90076,7053716.805,330411.8051,2322178.95,1421588.604,760324.3537,4608959.207,4729957.036,2557026.629,1018779.734,258282.2102,607077.469,0,1281123.724,392596.9836,1859074.764,28899.66931,2448245.473,1023393.6,1400776.338,176219.1472,319865.5121,1918109.758,6190075.577,884131.2733,400640.1442,4301187.097,1763235.291,279066.3109,105233.8408,6122137.092,953395.6896,86642.58531,0,1123058.528,5489639.449,24165.81095,2557327.336,314336.0947,6230840.925,375436.157,592996.1626,8291299.327,212984.1307,3803421.044,1816695.729,1289493.991,1367413.639,184722.037,147296.9088,42280836.85,59774.13055,26270.37492,97097.69801,2361963.992,2506507.477,127035.5436,0,26156720.59,199849.0818,355480.3335,334642.3759,38125635.56,77205.27907,1392897.549,479718.2184,219538.1512,1610051.757,9847306.44,327907.0195,685125.0462,0,410023.7951,4767425.982,230998.3099,270993.9762,2739983.185,35902953.6,22465472.43,1173962.564,4475809.465,158876.8606,4340025.255,3573314.794,409578.601,1641660.541,626258.8931,18408892.23,2767542.138,307758.3948,9123564.393,753900.359,225857.0357,1781121.193,872824.6365,1961898.732,1400753.071,57712.5,299878,633993,626761.1761,157.0769423,299878,157.0769423,true,true,"Naphtho[2,1-b]furan","232-95-1","C12 H8 O",89.1,86.3,91.9,729,802,100,-0.85,true,true,"w11n17main1",103798,1569,"UnspecifiedColumnType",15,1,true,true,"Dibenzofuran","132-64-9","C12 H8 O",90.6,86.3,96.2,806,876,100,-0.85,true,true,"gc-orbitrap contaminants library-2017-09-18",16,1526,"AnyColumnType",28,1.8,"Naphtho[2,1-b]furan","232-95-1","High","232-95-1","CAS-RN","DTXSID30177779","Naphtho(2,1-b)furan","MFMVRILBADIIJO-UHFFFAOYSA-N","Naphtho[2,1-b]furan","4.95E-06","Y","-",23,"O1C=CC2=C1C=CC1=CC=CC=C21","-","-",575.44,269.564,1.88799e-05,1.219,0.476,1.01625E-5,136.219,97.182,0.706,0.00137088,"-","-",6.38264e-05,9.90832,0.000385478,2.84446e-05,5.15931e-11,614.39,16.0142,287.001,0.000111701,0.416688,6.90406,6365.83,4.19409,72.6403,0.000341498,7.92814e-05,"-","-","-","-","-","-",0]
[8397411.611469734,2653,false,0,"1-Methyl-2,4(1H,3H)-pyrimidinedione",126.043,17.955,49102842,126.04245,1328196998,8624656,"C5 H6 N2 O2",126.04238,126.04245,72.8,38.5,35,869,936,1762,0,1316.136212,3837.838927,536.203642,17891648.83,3754441.993,4522727.48,28879872.91,6429598.699,22345093.42,3852826.226,125523.9295,6737002.147,8575510.446,7928264.783,2815694.872,1380124.854,106773.7343,4552979.084,52296.2678,31628234.6,210786.367,7256978.205,1564346.654,10409847.26,8572046.54,4821748.586,1764283.109,16549570.12,5120028.131,90872.69152,4687363.835,2389535.664,3298580.599,22268037.38,7712353.843,1650118.712,727972.504,3838468.623,15411010.13,15785975.15,6193575.822,1894802.169,7740515.618,12460.97479,828086.2215,14083796.34,5647312.231,18619704.88,2050364.317,4933793.593,559146.3546,10542708.29,15843.06613,13848455.39,9853049.358,17334498.09,9582729.858,21355.60217,1887135.684,1247027.007,1582858.712,8718012.555,27273686.92,25983771.01,1995669.447,2549805.088,2069374.745,11335178.21,966539.6624,236121.7538,4440934.076,36423884.81,20135479.47,34528035.13,1883548.528,2532153.479,507961.7011,295903.7547,9591680.523,9765748.308,647400.6083,4687363.835,34969588.81,4224260.874,15880272.22,99880.8848,10600052.62,3666162.874,194537.5811,3104817.378,61786640.19,6009378.562,112815.4841,13276681.89,24911694.78,0,10122330.39,19644551.76,104328.6952,1318115.718,11206702.94,10086203.13,4439387.075,609883.7251,73781.08893,252322.8655,24430273.93,181733.8887,5520146.604,27200207.54,6855383.925,62716.44303,8798681.339,1882807.394,18839847.84,0,14439157.58,6272584.305,3924508.269,1961086.244,13298766.55,146313.7897,786256.4069,2894739.393,7155933.218,5188808.589,54877273.55,7048223.524,3101748.852,1452100.492,168263.4286,24413417.73,10836999.43,2200223.313,10442097.04,329312.7575,11748735.35,14666711.85,6101426.295,5320767.94,2401415.67,34754910.76,4185919.08,8393676.04,14185943.24,11050.81618,30956626.33,8242295.058,621139.0187,3501329.512,506499.0944,59435.01773,32002.43945,159253.3477,1162276,4040969,10016335,7497580.826,128.7728377,4040969,128.7728377,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-Methyl-2,4(1H,3H)-pyrimidinedione","615-77-0","C5 H6 N2 O2",72.8,38.5,35,869,936,100,0.56,true,true,"w11n17_w11rep",5482,0,"None",0,0,"1-Methyl-2,4(1H,3H)-pyrimidinedione","615-77-0","Low","615-77-0","CAS-RN","DTXSID90210474","1-Methyluracil","XBCXJKGHPABGSD-UHFFFAOYSA-N","1-Methylpyrimidine-2,4(1H,3H)-dione","4.41E-07","Y","-",25,"CN1C=CC(=O)NC1=O","-","-",0.328095,268.244,0.00157761,1.239,0.464,0.0094189,146.359,160.782,0.703,0.00225944,"-","-","-",17.8238,4.2462e-05,0.251189,2.11252E-11,3.49206,4.64186,262.711,1.95532e-07,0.154304,8.41507,23.655,-1.1995,237.023,0.000509615,0.157459,"-","-","-","-","-","-",0]
[6113667.336621857,3261,false,0,"2,5-Furandicarboxaldehyde",124.01613,6.195,3227097,120.089,876546488,5691860,"C6 H4 O3",124.0155,124.01558,72.7,52.2,100,589,915,1067,9,2239526.252,425115.2412,483579.3199,1042067.085,2538732.955,2638726.024,4553541.807,6430432.69,471418.0491,5703356.471,4390849.516,5763341.616,3686980.673,2064186.362,10612953.29,2680143.128,1337735.852,1910481.28,15163625.92,47279185.41,3467364.931,1505554.143,11168692.27,1880736.05,2413513.664,18751568.14,8554604.198,3677679.662,2059840.685,1802516.97,5778924.963,6271536.507,1094182.232,2854508.602,4119199.866,7606912.073,2163725.153,31221357.92,20398540.24,1816905.44,2802678.482,2044845.614,6355570.741,3577172.802,2666667.79,12543873.16,3006549.435,2987257.658,2273854.364,21306789.06,5584960.447,5162236.856,1321549.564,1529688.369,1598421.577,2004462.052,3521779.161,2462875.815,3613903.104,13887683.64,7695089.93,2962063.69,17101453.59,6993793.695,7392128.746,11603435.67,16346339.94,452950.197,3554375.877,3228198.383,8060066.444,3599969.726,4042886.102,2493908.143,3175025.677,2260024.194,3577172.802,922389.8697,17490689.3,23305829.99,2729446.266,4140074.2,5919450.872,803279.5855,3564666.387,562846.9718,3985903.58,12092550.26,1307528.737,3874912.552,5836823.786,6136235.205,2704538.402,1175882.881,3171023.391,2172508.449,1622029.882,10183253.83,3477030.126,4399495.804,4552233.843,4538909.088,583122.7584,3077273.876,2259707.355,6272833.866,5799061.567,3726091.272,5354304.384,3982641.882,5770985.308,4561255.023,2297034.162,2052490.41,10401437.53,3468746.189,2592010.192,5356583.843,3386573.113,36851124.63,2870551.557,7653476.027,2952029.713,14999477.65,4353737.537,16871611.12,6478877.846,491288.474,2929604.579,48096332.55,250277.8854,4118943.189,4284227.737,4376778.969,2772826.466,1197560.99,2436880.613,2527686.934,3372968.904,2333532.752,4034736.076,14629039.39,5993224.822,6641539.957,23414644.83,3685599.415,3235316.32,10096681.94,2811133.322,4167630.737,2219332.466,2029867.729,2496420.586,2209793.795,985566.5,1583122,2740560.5,2559822.305,118.1777398,1583122,118.1777398,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2,5-Furandicarboxaldehyde","823-82-5","C6 H4 O3",72.7,52.2,100,589,915,100,0.67,true,true,"w11n17main1",24609,1076,"SemiStandardNonPolar",9,0.8,"2,5-Furandicarboxaldehyde","823-82-5","Low","823-82-5","CAS-RN","DTXSID60231676","2,5-Furandicarboxaldehyde","PXJJKVNIMAZHCB-UHFFFAOYSA-N","Furan-2,5-dicarbaldehyde","7.96E-06","Y","-",20,"O=CC1=CC=C(O1)C=O","-","-","-",203.452,0.000141906,1.263,0.136,0.000145211,65.872,37.751,0.692,0,34.021,167.77,2.22331E-3,1.92309,0.053827,0.0743019,1.58177E-11,4.74056,3.67387,216.951,5.94369e-07,0.321247,4.50207,30.3571,0.53596,33.7914,0.0790203,0.130778,"-","-","-","-","-","-",0]
[1093725.4132874575,5560,false,0,"3-Ethynyl-2-phenylpyridine",179.07335,18.714,9405952,178.06502,170883770,1109635,"C13 H9 N",179.07295,179.0728,92.7,86.8,100,897,950,1812,0,3397.857782,2787.603188,1374.731138,645406.5453,236714.4341,55997.11105,1628669.522,749284.1791,13121949.89,635331.9947,1213797.353,537632.8879,657445.1817,4124.120866,64177.9952,351179.4546,202610.0671,35783.7139,149371.5551,377329.5039,343959.9468,723216.796,1504013.606,753238.3752,447061.4376,93219.82777,167749.4582,1484745.895,415409.0616,132752.0609,334710.2228,945454.6435,578871.0563,13912.26154,198802.4852,291430.3483,245374.4564,4851.9173,777588.6008,362848.7692,2601538.855,63971.95046,1586966.912,412195.4708,1197769.787,1357623.088,824850.4811,479597.4417,383306.9291,1569485.084,40670645.51,620606.7105,403037.8331,389865.3922,14504723.42,3244474.604,670975.6451,364343.9806,901453.268,283064.0674,394460.7883,66429.68999,1347291.511,497804.7714,107330.258,112349.7259,4246405.129,421353.1084,61956.11808,311996.5583,287616.2853,296267.3499,823597.25,1528423.426,508385.6454,799301.6777,904044.6276,25268.96757,127707.5913,260276.5433,134120.7688,781413.6672,412779.5079,647401.4694,2412421.726,221037.4813,604972.6659,144727.0337,569546.6927,155473.6922,751878.6075,441094.0797,328887.8085,359276.461,886439.2761,853626.4949,1815554.448,462093.2113,922445.5426,231125.226,336594.4786,4287789.444,199220.3232,82508.35497,352567.5211,125697.1556,412195.4708,5426800.465,153886.3091,740993.4274,230486.9034,180712.7091,364983.9269,252466.918,74447.74372,1486103.49,42741.59186,3001213.068,431955.5264,381706.2619,848057.0652,217820.9533,98409.21539,28284.12626,442354.692,95654.45744,50996.75002,379675.2888,428001.1452,863712.3309,567126.4487,396389.7964,642686.3052,292666.1406,1017444.597,18905.91655,197635.1955,623842.3752,754528.3839,459756.5217,597957.4955,577631.3563,336671.1655,90066.54672,11830.32715,517382.1929,265153.2007,176468.5908,142939.3033,253806.0045,831710.8311,2513460.476,1957491.617,609853.4555,118778.5,248565,456108,682403.8477,348.033898,248565,348.033898,true,true,"Benzo[h]quinoline","230-27-3","C13 H9 N",90.7,86.8,100,797,869,100,-0.84,true,true,"w11n17main1",130153,1792,"SemiStandardNonPolar",20,1.1,true,true,"3-Ethynyl-2-phenylpyridine",0,"C13 H9 N",92.7,86.8,100,897,950,100,-0.84,true,true,"w11n17_w11del",523,0,"None",0,0,"Benzo[h]quinoline","230-27-3","High","230-27-3","CAS-RN","DTXSID1075199","Benzo[h]quinoline","WZJYKHNJTSNBHV-UHFFFAOYSA-N","Benzo[h]quinoline","1.82E-06","Y","-",44,"C1=CC=C2C(C=CC3=CC=CN=C23)=C1","-","-",114.025,342.592,2.76058e-05,1.197,0.39,1.8281E-5,158.865,106.786,0.691,0.0110408,42.292,132.004,5.92925e-05,14.3219,8.60994e-05,0.000343558,5.04903e-11,210.671,15.8813,340.21,0.000133957,4.52753,7.37154,25586.7,3.43168,60.5425,6.7386e-05,0.000481599,"-","-","-","-","-","-",0]
[77507955.01973507,613,false,0,"Naphthalene, 2-methoxy-",158.07301,12.982,1072785964,158.07246,11407869421,74077074,"C11 H10 O",158.07262,158.07246,97.5,99.2,99.9,890,895,1457,0,477202.6331,461222.8595,340743.0493,74368483.93,32792712.17,49321781.36,97420914.9,95979238.58,46024144.32,98955610.25,90185836.6,80228263.7,38481043.28,67988704.1,65174155.92,111183222,51495781.73,35290891.63,50637652.74,112944901.8,55779609.47,54429945.13,86117723.23,43215612.51,57163678.64,51299146.09,45518135.67,102360993.3,18302738.69,108732702.1,53739508.84,56471644.06,26508227.99,77815925.9,142503771.3,74659498.79,34745290.09,29111145.71,39862454.93,65213567.85,94071990.77,40493119.82,58125417.27,74977305.48,42178195.29,31922248.02,68723085.74,118742336.4,57480232.37,26221782.61,64961103.14,70665986.86,18228376.76,22343776.03,42413602.39,151037610,21797732.62,58224868.6,77050402.68,48789533.91,67943587.38,31220876.91,170551583,55463055.75,105472401,54196627,63947314.07,52195858.66,26407105.13,43378748.81,125315048.3,32593870.3,60241666.32,66605653.19,174665238,34542931.59,75495415.53,89860633.92,131720278.1,28789280.71,63900320.97,34794760.73,171267749.4,19527940.78,77577802.58,31946973.99,89809288.89,48749578.32,1768459835,48363057.31,56471644.06,79181728.28,96374748.96,21203774.56,64183123.29,27744474.55,41239010.15,99439560.62,66671437.19,51646623.12,79999076.34,110823317.5,25130115.03,54590698.89,35577546.88,47902615.42,116688006.3,30545007.79,46295740.61,76512354.23,47269767.88,22597643.45,51101330.98,96821795.35,99880561.07,380007005.3,93750274.35,106069938.9,24935510.8,37156768.41,96907813.93,22621833.88,76719837.84,33045865.09,27339905.9,28000795.23,87443787.57,66426503.58,39843082.43,40575123.78,112856188.4,22517097.58,160850499.6,91966138.74,18519550.56,97865299.26,40862774.24,39269290.86,95747130.11,24204349.4,66505486.41,105592048.6,68050071.15,35097607.52,58905042.15,50619930.06,31891356.73,174794319.7,14415751.98,69519755.17,21953818.11,13047497.52,72398360.98,54038245.96,20638168,33667896,48529029,45036479.91,194.605693,33667896,194.605693,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Naphthalene, 2-methoxy-","93-04-9","C11 H10 O",97.5,99.2,99.9,890,895,100,-0.96,true,true,"w11n17main1",80672,0,"None",0,0,"Naphthalene, 2-methoxy-","93-04-9","Medium","93-04-9","CAS-RN","DTXSID7044392","2-Methoxynaphthalene","LUZDYPLAQQGJEA-UHFFFAOYSA-N","2-Methoxynaphthalene","1.32E-05","Y","-",97,"COC1=CC2=C(C=CC=C2)C=C1",1,"Y",113.501,267.982,5.49541e-05,1.08,0.588,4.4157e-05,107.401,50.835,0.686,0.0243781,41.026,130.797,1.54525E-4,6.10942,1.36144E-3,0.00064121,3.6343e-11,317.056,5.3222,273.974,1.50307E-4,0.698248,5.78583,2871.49,3.4689,25.6905,5.38822E-3,0.000161809,"-","-","-","-","-","-",0]
[13218245.606947685,2105,false,0,"Phenanthrene, 1-methyl-",192.09378,20.139,51922069,192.09323,1970533945,12795675,"C15 H12",192.09335,192.09323,94.1,88.9,95.7,925,936,1910,10,0,369694.9532,0,9461246.831,2570385.844,6822795.248,18920604.61,21749971.52,14342854.13,9847873.589,23418730.11,14254753.76,8922727.413,3906163.932,9020072.834,7324391.662,4450778.245,10855589.48,6929140.001,14552728.91,15752033.59,15719554.35,6237179.499,8667187.721,7531073.379,3834460.497,15445.25673,52659617.02,9996431.644,3903230.646,10098377.12,17921750.17,10207842.97,3994665.454,7182199.525,3463149.87,5514970.488,4433419.729,16182738.81,22532511.16,8971400.123,15176.8682,33889243.36,12572347.3,7513299.981,5270153.113,20886844.46,9074564.231,2976679.054,3735783.106,33257675.58,18934388.48,7131294.061,2925954.332,31712503.45,27288149.17,11168011.65,2124002.792,14446998.78,5337039.113,6257089.307,4032313.028,9419266.746,10723557.33,6080491.897,9080536.398,15805050.22,5263349.36,6110497.213,2165469.468,10628869.53,8868236.016,60919113.25,5366112.127,19931211.31,3140745.727,9621133.607,2179530.691,7034687.103,15840729.77,26868251.38,8971400.123,18471624.28,5853242.789,11858777.87,4281714.451,9340691.271,20467308.03,8100633.06,5020385.484,22978490.1,8643196.288,28459853.25,6074665.302,20682628.43,15206400.72,13902181.58,6202637.875,6553866.238,8945147.064,5967810.347,24218772.99,7917093.872,8119390.64,12394725.44,11331700.26,15906623.91,98030432.37,3430994.492,15497085.62,3617195.803,177172.7504,8895397.469,5449417.682,19303595.3,57947171.44,41941005.12,44865658.69,6160636.397,20480305.2,93144.04507,4757154.358,5780304.38,28899999.19,7748428.432,13006581.4,47910953.24,7202044.655,6996135.009,109930.8072,31200221.07,15040731.11,8038587.815,7037842.912,76106005.19,0,4006790.644,5496935.979,5132872.72,13632393.49,9857432.639,15572229.37,25845300.87,8085367.608,11322716.6,20210501.69,10652182.51,5338110.668,156610.9845,4369536.123,7596664.49,11130827.23,11959210.4,6227911.523,2897498.75,5307104.5,10262982,7736735.12,97.88679238,5307104.5,97.88679238,true,true,"Phenanthrene, 1-methyl-","832-69-9","C15 H12",94.1,88.9,95.7,925,936,100,-0.63,true,true,"w11n17main1",167457,1900,"SemiStandardNonPolar",10,0.5,true,true,"Anthracene, 1-methyl-","610-48-0","C15 H12",93.9,88.9,97.2,915,929,100,-0.63,true,true,"w11n17main1",167488,1959,"SemiStandardNonPolar",49,2.6,"Phenanthrene, 1-methyl-","832-69-9","High","832-69-9","CAS-RN","DTXSID6025648","1-Methyl phenanthrene","DOWJXOHBNXRUOD-UHFFFAOYSA-N","1-Methylphenanthrene","2.08E-06","Y","-",83,"CC1=C2C=CC3=CC=CC=C3C2=CC=C1",7,"-",414.954,342.976,3.39625e-06,1.094,0.72,2.00909e-06,156.508,93.052,0.677,7.4817E-3,38.238,124.188,3.16957e-05,"-",1.79473E-5,2.65461e-06,1.09712e-10,692.299,23.0857,275.107,4.93086e-05,4.25898,7.55285,27284,5.08005,85.9996,1.51779e-05,1.4082e-06,"-","-","-","-","-","-",0]
[436202482.4967682,158,false,0,"2-n-Butylacrolein",112.08881,13.221,33151494,93.06994,63602275529,413001789,"C7 H12 O",112.08827,112.08826,87.6,86.8,96.1,644,757,1471,0,1870270.887,3102192.339,8691851.738,17169279.91,25424608.55,358618495.3,14867792.08,195421943.4,88708935.66,573800778.3,153622692.5,38249489.39,13441545.59,890062125.8,26332693.1,20693920.25,47914397.42,224595524.1,136242025.2,630063177.7,86418267.6,173360205.2,96424212.84,38767303.17,16978014.48,257827101.2,1286717045,57821289.03,31707583,54612317.35,118416434.6,50515530.09,76989902.03,1429217178,58769061.33,69241330.14,67778485.29,316312781.3,163227948.8,21325136.42,256387295.5,732265247.4,92566574.25,140452541.3,147819047.1,4157967276,91949134.08,83187688.59,80377873.43,442256328.2,135235299.6,206963595.1,56478438.92,463346337.7,66997272.37,36715580.47,82634362.88,3258161718,4068863575,32029855.09,39257487.13,1315305255,3391378628,25510947.16,40378985.38,1407855490,1072709623,19968419.42,93184014.42,1240602222,1821987048,34748042.1,21376378.28,1393248092,759486793,15224943.34,19398553.4,260849310.5,415060491.9,28705615.78,20090096.32,1145352598,134997696.6,19977057.42,4573195.126,40818778.5,53975233.92,26924034.23,363255074.2,291241803.6,25552984.08,16090265.89,105190217.4,2368954556,92566574.25,14838553.61,286330423,29537695.21,4105937.819,141809847.3,226340029.8,107686745.5,104206180.7,102077171.7,7921332.204,1953029980,16660872.04,31752816.56,624868370.2,1192127289,63186204.02,71716937.72,353600786.4,722382282.7,52211046.54,83135527.84,2892277243,428442499,173512261.1,1043193743,214609361.6,163381408.9,1861817865,125234855,75065895.1,755993242.1,34513165.83,20403901.87,61318415.83,39901286.43,39284404.69,166376139.5,235724634.8,2369558.683,210894472.6,34747187.39,18373922.93,1423877208,716907010.3,19395621.32,31369415.92,293690849.9,31045106.31,2200963699,1075840497,98550839.94,1057218818,3202122109,21753727.4,18464323.93,41548066.35,46599250.12,86582308.56,27576414.3,2280383.5,6143897,32087698.5,27950663.87,169.9491018,6143897,169.9491018,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2-n-Butylacrolein","1070-66-2","C7 H12 O",87.6,86.8,96.1,644,757,100,-0.02,true,true,"w11n17main1",15308,0,"None",0,0,"2-n-Butylacrolein","1070-66-2","Medium","1070-66-2","CAS-RN","DTXSID80147866","2-Methylenehexanal","IWEWQGKFUYQGSN-UHFFFAOYSA-N","2-Methylidenehexanal","9.51E-06","Y","-",18,"CCCCC(=C)C=O","-","-","-",147.705,5.92925e-05,0.833,0.67,8.95365e-05,39.906,-38.413,0.674,0.0147231,25.069,138.776,3.33426E-4,0.891251,1.80717,0.0199067,3.25681e-11,7.85863,4.28439,154.566,7.03758e-05,0.222292,3.88708,26.7939,1.9634,-65.4743,6.93136,0.0292927,"-","-","-","-","-","-",0]
[1613100.9544031653,4916,false,0,"Quinazoline",130.05318,9.213,744046,129.04475,297331509,1930724,"C8 H6 N2",130.05255,130.05263,82.9,69.5,93.9,753,935,1249,10,27265.08491,20460.78255,17591.24607,1206569.032,589653.8799,71715.47736,0,1200906.245,746187.1266,4881.546088,0,0,622930.7055,20506.3595,10114.24778,94500.32125,716052.1772,34455.93519,1118775.3,916748.8785,1224339.439,1673639.002,690796.3577,721582.0725,1647552.007,67429.12391,1057926.316,1433238.508,673146.8645,47412.84289,665053.8499,1320856.14,148326.6653,45993.88773,1109234.415,656863.5316,514963.8161,153672.7731,17492.27991,1435259.487,1018914.804,24190.84027,2151199.715,1653191.258,352954.419,14269.35463,0,1469996.018,1464322.69,424384.1211,2186345.697,3048372.341,983610.9115,208591.659,1928193.812,1289728.3,1595042.99,33016.31181,1403942.046,692778.9512,1208631.204,463913.8186,103982.5423,1620984.454,0,193084.2076,69084.3722,660309.1575,0,18733.18911,105692.5462,653417.9057,5658003.468,499601.6688,1519846.745,2144018.612,8114486.794,22056.67554,334705.9236,71215.57614,6312016.434,376143.5309,4572462.474,2570807.028,6044490.618,92155.33504,656863.5316,4575555.847,5660295.575,241802.74,188715.2066,1871772.609,6062817.763,0,1036158.71,806821.7308,318704.8787,564159.4505,5748206.627,678492.8651,0,482517.7004,0,67005.28602,7618711.778,514995.6938,135069.2148,58708329.04,429240.7767,551509.1556,104329.7264,701588.7587,3298254.835,147301.8801,284889.1549,1332628.022,146866.7437,562296.2461,968918.9097,425015.3757,1339606.005,2401588.289,44896.54781,279973.3224,1607256.418,452064.9522,845985.6046,184718.6536,24120.90673,4853726.332,3884020.056,241379.8717,3403955.689,48208.48578,1987841.834,3099665.66,870706.4095,87964.23931,393762.346,69742.33153,395949.4748,751430.817,1743025.045,28761.78585,529664.2837,4301424.224,0,1047347.267,130365.3773,301586.3214,1825944.308,4079920.146,3298527.746,6101610.402,72393,321560,1132294,704584.7589,167.0863255,321560,167.0863255,true,true,"Quinazoline","253-82-7","C8 H6 N2",82.9,69.5,93.9,753,935,100,0.6,true,true,"w11n17main1",33209,1239,"SemiStandardNonPolar",10,0.8,true,true,"Quinazoline","253-82-7","C8 H6 N2",82.6,69.5,93.9,741,922,100,0.6,true,true,"w11n17main1",33210,1219,"UnspecifiedColumnType",30,2.4,"Quinazoline","253-82-7","High","253-82-7","CAS-RN","DTXSID7075214","Quinazoline","JWVCLYRUEFBMGU-UHFFFAOYSA-N","Quinazoline","2.49E-06","Y","-",34,"C1=CC=C2N=CN=CC2=C1","-","Y",7.43019,240.924,0.000194089,1.161,0.306,0.00033037,108.806,46.593,0.67,0.00682339,35.115,132.817,0.00132739,"-",0.0248886,0.0948418,4.62833e-11,3.99271,4.9058,241.116,4.31525e-07,0.238417,5.55724,151.155,1.00253,49.0387,0.00132574,0.193955,"-","-","-","-","-","-",0]
[761073.5165914572,5872,false,0,"1-Hydroxyfluoren-9-one",196.05228,19.52,2017523,168.05682,108388933,703824,"C13 H8 O2",196.05188,196.05173,91.8,87,100,851,959,1867,18,0,0,0,413981.4603,6069.123493,669900.2962,923081.8336,2871397.873,801433.9502,1347732.919,800897.8148,1678218.811,7766.000877,82425.06695,232822.5476,285790.2478,140039.274,1183195.973,373714.6838,1378956.171,675514.6778,1532257.276,67015.15544,210948.9311,420791.9723,73216.98571,345911.7283,140823.2629,9073881.57,236351.6301,417386.7163,5008749.771,67341.87956,298051.7167,812113.1406,461024.7167,33918.18967,499666.3426,2011926.955,1153879.923,0,72595.137,2921199.67,798928.6204,0,26751.15385,367961.2248,694290.136,0,563744.2623,702529.6756,1879552.613,417778.6177,122880.838,1315171.911,771670.9033,692881.6403,207251.7591,416994.8149,134839.7032,474956.7087,333804.9372,156944.2225,1106803.18,307789.947,977530.1845,752459.1929,233114.0466,194798.4787,148843.5035,493718.8538,173760.7428,829550.0728,375817.2415,1021483.497,90300.03801,73467.32146,52190.11743,67867.75875,789120.5495,1928637.233,704214.0133,417386.7163,125517.5444,639529.8007,308533.637,391634.7773,1545938.692,193173.5708,284997.3251,1230397.095,379025.3637,789869.1743,147123.6896,836915.3315,32894.12263,1043076.409,656487.288,143223.6566,687585.4672,221615.6441,1319332.216,537584.487,159504.3568,611607.6058,857073.3792,97451.67398,421558.9766,265032.105,766675.0369,65718.29798,570151.5589,1082783.774,124213.1222,241190.5628,4993672.693,2397954.624,815171.4466,14895.93065,1901327.639,46436.02071,232946.2596,182953.4175,1250907.6,412396.2545,661057.9995,2632971.826,226914.5221,256369.7391,896058.9503,1251116.552,604464.6072,2576099.832,518555.2989,4684052.788,3011046.612,171686.2805,408128.9976,910267.6622,1071364.738,422377.1781,73975.8476,237789.2944,185860.1671,2477555.914,186967.6108,656358.9092,691799.43,0,62704.06716,73992.0994,110560.9591,140893.773,145253.8973,95279,237813,524804.5,394566.8776,114.702086,237813,114.702086,true,true,"1-Hydroxyfluoren-9-one","6344-60-1","C13 H8 O2",91.8,87,100,851,959,100,-0.78,true,true,"w11n17main1",179851,1885,"UnspecifiedColumnType",18,1,true,true,"9H-Xanthen-9-one","90-47-1","C13 H8 O2",91.6,87,100,837,942,100,-0.78,true,true,"w11n17_w11rep",14986,0,"None",0,0,"1-Hydroxyfluoren-9-one","6344-60-1","High","6344-60-1","CAS-RN","DTXSID70212855","1-Hydroxyfluoren-9-one","QUUNMPSDKIURJD-UHFFFAOYSA-N","1-Hydroxy-9H-fluoren-9-one","8.82E-07","Y","-",14,"OC1=CC=CC2=C1C(=O)C1=CC=CC=C21","-","-",58.479,351.563,1.79061e-05,1.259,0.84,1.50661E-5,178.049,179.565,0.668,0.00586138,"-","-",9.68278e-05,"-",3.94457e-06,1.71791E-4,3.25657e-12,32.5296,15.2213,313.303,1.80728E-9,0.170384,9.39365,5955.44,3.61773,73.3094,1.29715e-06,5.39323e-05,"-","-","-","-","-","-",0]
[{"$f":"AVERAGE(Y67:FS67)","v":880819.3352635369},5695,false,0,"Phenanthrene, 4,5-dimethyl-",206.10953,22.647,3488271,206.10898,144839035,940513,"C16 H14",206.109,206.10898,92,87.8,100,842,890,2095,0,0,4407.199321,0,535984.2637,362272.1722,888676.8829,1818065.276,3291924.997,1333816.006,30775.74546,1125517.975,1724184.384,920443.3424,18786.99204,1547226.63,597791.7819,327773.6954,1219079.231,506008.4046,1401566.218,31499.30068,1614728.767,658626.0785,635413.4729,582021.4585,35645.03356,578643.8073,2528694.328,1041090.317,296478.7671,609605.0343,2335757.912,896922.4186,50750.6033,766784.6886,240827.6883,386554.1737,0,1575173.002,2473861.436,530696.1432,136323.1039,2152752.09,732854.4416,647019.7757,63174.6483,1230244.427,737180.7722,6823.016914,351781.4169,1895561.268,1390737.392,675675.8619,284013.3012,2178310.398,1326117.59,846510.302,0,1408035.57,123034.8869,312425.8275,259613.8718,534417.8548,646854.7566,504872.3367,604349.1827,1955873.863,297833.1273,664042.6431,123156.8757,647184.7948,1044304.265,3454947.651,556274.5287,1239018.148,220093.7233,488338.8797,177765.9484,309450.3767,1749762.701,1806959.46,564229.743,1301334.535,647019.7757,1010328.446,269693.7711,612293.5779,1344998.993,589764.6185,442005.9204,0,837518.2847,1027898.374,509261.8722,1358322.031,1123435.567,32180.98339,1719878.737,373440.8622,799765.0825,399102.2684,76912.84229,928375.4628,496175.6743,1126136.512,587246.9813,1223031.477,2291635.437,272443.3813,1263033.033,397882.3823,2605465.723,809937.8291,256532.9526,829216.9964,5679552.477,780692.1821,1463001.252,290116.6161,1112775.281,127280.1499,256979.7835,486024.7874,168266.465,661678.3303,471419.9629,692241.0015,527753.5551,455462.1162,121032.8019,2585462.609,751835.8494,1885175.114,328895.1116,3454692.265,1446896.868,197183.0406,425244.6204,1778226.117,1011848.943,512626.0831,713830.742,851145.3995,239343.2775,1756208.164,1020659.055,632361.2211,797833.7197,189683.6179,174461.7111,29357.81386,682294.4159,562720.4683,251597.0021,257389.5,443797,831179.25,643052.5405,91.60181729,443797,91.60181729,true,false,"Phenanthrene, 9,10-dimethyl-","604-83-1","C16 H14",88.4,87.8,89.1,664,693,100,-0.12,true,true,"w11n17main1",211765,2092,"SemiStandardNonPolar",3,0.1,true,true,"Phenanthrene, 4,5-dimethyl-","3674-69-9","C16 H14",92,87.8,100,842,890,100,-0.12,true,true,"w11n17_w11rep",16132,0,"None",0,0,"Phenanthrene, 9,10-dimethyl-","604-83-1","High","604-83-1","CAS-RN","DTXSID60209158","Phenanthrene, 9,10-dimethyl-","JUEORGSHIXFSSI-UHFFFAOYSA-N","9,10-Dimethylphenanthrene","2.41E-06","Y","-",14,"CC1=C(C)C2=CC=CC=C2C2=CC=CC=C12","-","-",506.991,361.233,1.79061e-06,1.074,0.719,9.46237E-7,163.091,109.149,0.668,0.00498884,38.351,121.496,2.13304e-05,"-",5.17607e-06,1.35831E-6,3.08129e-11,1012.07,55.1083,347.341,3.30553e-05,2.27788,7.87102,24064.2,5.53052,156.864,6.30802e-06,3.08178E-7,"-","-","-","-","-","-",0]
[1612719662.008119,63,false,0,"1-Hexadecyne",222.23459,31.609,91635731,82.07773,{"v":258000000000,"d":"2.58E+11"},1673614350,"C16 H30",222.2342,222.23404,94.2,99.7,99.9,716,727,2920,0,51529469.18,30567419.73,28641558.69,237083642.3,39588129.81,3443600088,3951518531,1819728370,284091541.4,330544082.4,3768031366,730087308.9,200249031.5,1207732813,1546200229,246572541.6,91137825.52,4403637469,2992363653,515934573.7,108309287.1,7100601401,1957821859,3636558170,517341816.7,911412316,893050073.3,1246052354,132539742.4,1169435197,2916851694,433458730.5,60796282.27,3170707469,2376859747,59160572.45,72799679.7,4699136246,902231194.6,4135009410,144199660.3,186767936.5,4569045136,278557459,364270447,1830580306,6481313952,422116404.3,1687657804,7004647840,1752559221,603097800.1,252664243.1,5568337119,893415863.6,414525815.8,302993663.6,352128940.4,1708562495,422287715.8,277531590.3,2241105634,9057079413,265485006.1,293386767.3,1727876984,2320911460,386313134.2,409162690.3,1491561741,4845443579,911046525.7,444694265.6,2549872373,1355883287,182649083.2,50514888.84,538045059.5,580102111.1,350615773.8,276109094.1,2030870167,2696078842,82591482.27,2265841807,402222932.4,1194838078,131573530.2,177404188.8,1052740507,2765218154,305813129.3,114920172.2,3891818859,2031611532,1019058833,3139504574,3388474213,631094080.4,902231194.6,739315274.5,885522410.7,2116961786,1208007703,80347290.97,1330554647,972311056.3,1190888786,883515881.1,1478683450,1115770498,1685995841,77623750.49,728491773.9,2507338445,304218890.3,1259288644,10763330571,226244461.4,3044644140,141177743.7,221626426.6,4748845473,1554172213,1563116532,262525779.6,2802471475,166168941.9,5788883101,4424258518,175288693.3,5227082440,2040134847,885392309.3,2282768273,659666143.3,120140230.6,2640300536,5090415475,191322955,919070079.9,3296657294,204422609.7,2691017167,657517.876,141482840,3258597898,1047521098,631052752.8,431586630,39923240.93,684574532,108856317.9,153174580.3,13018035,51755547,153598392,97870451.26,120.2016329,51755547,120.2016329,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1-Hexadecyne","629-74-3","C16 H30",94.2,99.7,99.9,716,727,100,-0.73,true,true,"w11n17main1",266381,0,"None",0,0,"1-Hexadecyne","629-74-3","Medium","629-74-3","CAS-RN","DTXSID2060880","1-Hexadecyne","UCIDYSLOTJMRAM-UHFFFAOYSA-N","Hexadec-1-yne","7.92E-06","Y","-",28,"CCCCCCCCCCCCCCC#C","-","-","-",272.903,"-",0.755,0.858,4.12098e-07,96.599,1.047,0.667,0,27.189,140.274,2.4322e-06,3.95367,0.00579429,5.68853e-05,1.19985e-11,1715.71,7.7051,284.012,0.00126729,16.4459,7.25751,3095.06,7.24264,14.9847,0.00142054,5.17767E-9,"-","-","-","-","-","-",0]
[73677656.00447683,640,false,0,"1,10-Undecadiene",152.15648,13.955,31099369,96.09338,11011918185,71505962,"C11 H20",152.15595,152.15593,93.9,96.1,96.7,771,783,1513,0,2596605.338,5546114.855,2147535.712,69122036.5,45677573.03,61596323.98,61970117.69,100046317.7,61577702.42,133556890.7,129864361,80135408.35,43558437.56,54236344.43,112279152.4,83166269.02,32843686.37,45978719.4,78477037.35,54254799.82,130319021.7,63606809.7,88757654.79,36546695.53,49326711.5,62480787.04,106117676.6,52858451.55,66691373.8,22625475.4,90849477.04,30618138.81,112519938.3,1972908.003,80137605.24,63043798.37,46886884.9,27626086.6,121847074,37012377.19,79680966.95,19599543.47,89106616.03,71574682.3,75944333.51,43671063.26,116260758,70943994.89,82220852.91,48008903.35,387434689,71923875.72,43820861.17,27173289.47,198180489.6,73150959.85,103855931.4,56231405.98,96054943.87,27835816.24,59848225.79,41239472.23,90403340.57,62664895.75,38460088.94,63422700.99,104064079,60095092.72,22198178.31,37064647.94,156623464,41525868.27,127583194.7,96405306.99,114896388.2,67348004.67,54751505.22,47601222.16,118163857.9,74974328.36,48861827.51,5537689.633,141238409.5,48145232.28,37813017.05,78338952.84,110934930,56721394.51,43934278.46,79096036.71,146364394.8,58981626.86,82217011.65,39077165.9,105485977.5,50641324.46,45063265.8,104467302.3,51983221.08,49751067.63,62446276.85,124388284.6,39901501.59,50557326.97,63043798.37,34993823.07,17990565.03,100549696.8,71661361.28,93407158.58,43153601.13,77961666.83,74879476.07,65949606.35,90378926.47,58108443.15,83288059.32,85371466.32,71582666.02,15227401.52,98686003.28,40851130.44,60622731.03,55083824.9,47713922.75,34621281.86,141991994.8,40733690.33,35994510.66,111341176.5,17047949.02,52993962.27,81502704.5,35440040.06,285738115.4,150776322.3,32565883.29,50061107.3,91831138.44,38630887.28,42310278.94,75398194.35,67128612.68,65464865.71,88079015.23,326680484.5,75696100.79,68553632.28,19991427.37,51792441.72,21740758.87,58016315.55,74312306.9,74244049.12,3330389,5014504,7245317,5795162.457,67.95865124,5014504,67.95865124,true,true,"1-Pentadecyne","765-13-9","C15 H28",75.3,96.1,97,843,864,100,0,false,false,"w11n17main1",218554,1518,"SemiStandardNonPolar",5,0.3,true,true,"1,10-Undecadiene","13688-67-0","C11 H20",93.9,96.1,96.7,771,783,100,-0.15,true,true,"w11n17main1",68246,0,"None",0,0,"1-Pentadecyne","765-13-9","High","765-13-9","CAS-RN","DTXSID9061097","1-Pentadecyne","DONJGKADZJEXRJ-UHFFFAOYSA-N","Pentadec-1-yne","1.01E-05","Y","-",31,"CCCCCCCCCCCCCC#C","-","-","-",263.293,"-",0.763,0.857,3.91742e-07,100.015,-3.564,0.667,0,27.084,135.467,3.47536E-6,5.05825,0.0472063,8.09096e-05,1.37678E-11,1514.94,5.70447,268.045,1.30799E-3,13.7212,6.71399,3458.23,6.6074,10.3722,0.0174932,7.52465e-09,"-","-","-","-","-","-",0]
[3082445595.5544047,38,false,0,"17-Octadecynoic acid",220.21899,23.33,7620131234,83.08559,{"v":427000000000,"d":"4.27E+11"},2773047659,"C18 H32 O2",280.23968,0,75.4,99.6,99.6,777,777,2149,50,26895.18423,669286.0063,974927.098,1014537516,1004216548,49648.44222,1261589345,5913819835,4388012679,7915652643,8900030419,4939350817,4390467034,688551671.1,10010866439,764335627.8,98339233.46,1134411617,8286091389,1894864933,3482933686,1632547832,720462566.5,2871375096,1745149027,207373405.4,982936774.9,5996009763,4498054334,212673164.5,1663490296,6527010715,1688848430,1627458140,4532963999,2109691140,259768538.7,1233095505,7653791833,5765828845,1172489983,148672358.1,15700998749,3253429693,1196166873,926748375.6,4160530682,4404463020,729519085.3,2611493732,0,2171945553,6594970669,2246987979,8747100819,4546495421,1357865037,80439470.29,2174390359,250153092,276166788.5,1408211424,3591519631,1933323849,968400985.6,1301544524,3759594296,2069901458,269371378.5,15516671.75,1444373010,1126619618,1503037327,5068468358,1688848430,120886885.5,169240091.6,344860490.1,408183828.4,4361912688,633833633.6,4681267273,5884444487,2014491801,5171913006,89874936.04,4779977147,1412575968,169458647.7,4317320620,5914495865,2024398378,219837233.4,3335703466,3247862394,1993104673,1553994133,5590912315,13963207945,1723850604,1649609014,2095926782,1578657099,526232465.7,11065544027,71056.70003,63203151.09,8235390157,273662162.5,2979465150,554422001.1,1334889169,3058039912,800014420.9,3487397.571,4610791054,8606548376,1543073926,1478251488,2189027909,29705141.52,0,1614028.066,3397609988,9328958209,288448882.5,4622237316,3591862402,1299585693,59716067.81,9585741554,2907860974,236483090.6,565813653,13520364259,36160652225,250834650.4,2709945668,586202675.4,5309408361,5653228679,62702720.16,1834622933,940896807.8,366523316.6,2016121154,4756989768,324719821.7,347402.0259,59799382.99,170756779.8,4185048025,2488056276,14446102611,119233864,374213742,833887859,614242037.3,140.0476806,374213742,140.0476806,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"17-Octadecynoic acid","34450-18-5","C18 H32 O2",75.4,99.6,99.6,777,777,100,0,false,false,"w11n17main1",468590,2199,"SemiStandardNonPolar",50,2.3,"17-Octadecynoic acid","34450-18-5","Medium","34450-18-5","CAS-RN","DTXSID50188024","17-Octadecynoic acid","DZIILFGADWDKMF-UHFFFAOYSA-N","Octadec-17-ynoic acid","1.28E-05","Y","-",18,"OC(=O)CCCCCCCCCCCCCCCC#C",2,"-","-",373.202,"-",0.898,0.694,2.26986e-07,140.848,44.249,0.667,0,33.159,152.506,1.66341e-06,13.8995,5.52077e-08,3.9355e-05,3.70011e-11,208.203,5.76089,358.101,1.93775e-08,0.909904,10.3784,2283.23,7.00194,23.2451,4.64549e-07,5.93681e-07,"-","-","-","-","-","-",0]
[35803405.72198999,1312,false,0,"2-dec-9-ynoxyoxane",173.13301,16.201,1173329,160.12462,4191693875,27218791,"C15 H26 O2",238.19273,0,64.4,97.8,100,601,726,1649,89,41680.32223,258648.6399,94233.77199,12500066.44,11992521.84,6322530.592,10873333.04,286018346.7,9048947.116,4349161.848,2888674.046,14106229.42,9072869.296,7302980.833,351293103.6,11518475.85,26627855.43,5435154.451,3223376.649,6043572.905,7392306.264,9030758.196,241601203.9,44716910.36,12033681.6,68384778.83,19417520.28,33789310.71,6095632.196,2451983.437,15614880.46,16159006.8,31000942.16,12966.15819,44184799.88,13091775.39,11195904.44,2406217.422,10747633.45,10725044.44,20702574.78,2220601.59,8904788.061,13245895.52,15569826.83,3015860.549,11951712.84,11287512.97,14606203.67,2775186.255,49039980.36,15854426.91,15718982.95,4247807.608,42323553.35,28251197.56,8052227.39,6811363.762,12015716.93,7686226.909,7955919.492,20124289.94,9161104.196,20901860.79,7997610.335,4651912.875,38488593.49,11988288.28,9526489.422,3926128.917,4541184.575,11104295.92,3637497.401,344554124.7,1936217.198,51264957.46,9382089.374,4611486.019,7283031.344,23254930.45,4156389.647,537693093.4,7438014.05,12427620.95,5575739.249,19616952.1,59112059.45,23276061.28,3042863.069,3553579.141,42125267.58,31122713.35,11195904.44,5604386.886,39721076.93,22172875.16,83748437.43,1192092.315,15956089.77,2235291.388,15630772.7,309512247.1,68680183.92,1663548.791,17308556.1,4412519.533,1533032.547,17687305.32,5905330.581,952345.8052,5915283.172,1962855.699,18038710.12,6233223.068,4274425.05,40253956.76,604478570.2,1588139.46,34157086.92,6286807.147,6788991.751,28325699.2,5138950.755,207654162.2,37398048.08,7257588.709,2504087.685,27565881.47,9332160.003,3144485.721,32235879.12,5179592.901,11343966.78,36430937.6,5020668.001,6080665.032,28676629.82,9399609.254,2843169.479,35332859.96,25134571.58,4334244.481,35980065.93,5789293.583,169266.9361,47243707.29,11047842.11,6517235.925,9646256.535,110829502.4,86794583.69,54952290.95,92974682.94,40561163.17,683738,1834900,3258219,4549094.305,224.792719,1834900,224.792719,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-dec-9-ynoxyoxane","19754-58-6","C15 H26 O2",64.4,97.8,100,601,726,66,0,true,false,"w11n17main1",320887,1738,"UnspecifiedColumnType",89,5.4,"2-dec-9-ynoxyoxane","19754-58-6","Low","19754-58-6","CAS-RN","DTXSID70448117","2H-Pyran, 2-(9-decynyloxy)tetrahydro-","OAZCKVPRWOHUOE-UHFFFAOYSA-N","2-[(Dec-9-yn-1-yl)oxy]oxane","3.40E-06","Y","-",4,"C#CCCCCCCCCOC1CCCCO1","-","-","-",291.99,"-",0.917,0.566,1.08643E-5,139.962,0.226,0.667,0,33.025,140.567,7.49894e-06,9.39723,5.30884e-06,0.000172584,3.66271E-11,12.3393,5.68695,267.713,7.84151e-06,6.49064,7.44041,2024.34,4.72192,40.494,9.26725e-05,4.98507e-06,"-","-","-","-","-","-",0]
[616690.2273770858,5931,false,0,"Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-",198.14088,17.556,1094137,198.14034,92444962,600292,"C15 H18",198.1403,198.14034,89.6,84.7,100,787,946,1735,61,56612.47489,198866.659,34461.92861,616960.7317,242351.6915,92187.89513,784081.3203,1374546.478,580176.5979,0,0,860440.3736,443448.7369,0,971457.1584,438566.2693,557512.4892,0,954315.5024,776889.4633,192797.8827,93696.8338,1099425.105,747975.6459,563232.0049,0,279548.7189,2015399.79,479907.4012,129532.5038,1122331.288,602373.1907,67909.31919,0,601450.1775,344363.5358,260774.2082,0,1604367.339,500480.613,1799600.884,91064.27624,910814.3554,2364452.412,1302018.286,0,771771.1638,543630.2398,337122.5292,93702.65287,2517518.992,1075450.865,414163.6125,327818.9597,1634143.791,555120.4081,921076.4911,216265.2738,927602.4445,350058.8739,309706.2612,148368.4494,955475.1826,477967.8899,863483.6733,373979.3902,596747.505,390688.01,172433.4183,185183.2128,638571.0573,522993.3362,1811427.999,321478.5703,459659.7176,151265.0814,745500.804,117907.3198,1020884.327,629452.1308,1496428.693,500480.613,849870.4884,352455.6737,525613.634,393957.631,545723.3133,715777.7518,601946.6081,384804.0769,790308.1549,378097.452,1120799.581,272082.2078,464825.7968,1115531.546,500322.5822,1231549.633,324822.7068,569665.4954,306194.4391,200291.3458,304258.3064,529893.7209,224438.4583,549132.7013,607374.7126,965190.1807,68664.90995,285485.2622,238070.9122,268276.2134,261997.801,572660.9445,0,1107279.395,78999.47696,1036445.764,362009.6498,1037443.772,1362755.235,356253.2811,532945.2848,210952.1992,302248.5628,444473.6409,269633.2987,464631.6242,477101.3801,449690.0158,1747011.556,690318.7015,954844.3369,1254596.097,287862.9876,241599.9615,168494.0793,544602.3769,1119029.159,473490.729,523859.846,0,1120077.068,685932.8119,180983.439,1382187.88,354774.0904,961473.9627,546632.2543,453099.2831,2696719.715,261487.0569,1385342.299,630878.4029,261999,490727,775151,591661.3121,79.14374841,490727,79.14374841,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-","483-78-3","C15 H18",89.6,84.7,100,787,946,100,0.17,true,true,"w11n17main1",186569,1674,"SemiStandardNonPolar",61,3.5,"Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-","483-78-3","Medium","483-78-3","CAS-RN","DTXSID40197483","Cadalene","VMOJIHDTVZTGDO-UHFFFAOYSA-N","1,6-Dimethyl-4-(propan-2-yl)naphthalene","3.87E-06","Y","-",25,"CC(C)C1=C2C=C(C)C=CC2=C(C)C=C1","-","Y",1235.95,288.025,2.86418e-06,0.953,0.764,4.18794e-06,128.303,11.961,0.662,0.00950605,34.711,116.844,2.77971e-05,11.3763,0.00151356,1.26183e-05,2.12672E-11,864.369,7.50415,293.951,0.000530443,5.8251,7.43386,6826.75,5.20427,-7.73912,0.00228793,5.01217e-06,"-","-","-","-","-","-",0]
[9297639.671762252,2588,false,0,"Phenylacetaldehyde",120.05746,18.642,17701370,92.05755,1387696724,9011018,"C8 H8 O",120.05697,120.05691,95,98.2,100,785,946,1807,0,90965.14585,0,48939.80959,10620833.98,273523.5245,4218174.166,16578603.77,27800563.21,994012.934,5074669.747,56793950.92,11272146.01,3924187.15,3649245.491,2706359.199,12113414.29,362426.4504,8836817.367,5392094.486,8158794.994,5661690.868,5384066.945,6063112.813,5162385.547,26159890.5,1653256.252,1958164.829,27152868.39,4260423.28,3221285.319,7884802.062,3508871.939,66941789.95,5388080.716,4031821.401,3632444.491,12625118.15,4735238.302,14209256.36,617072.006,18870310.47,4346689.1,23580312.36,6949682.389,24406482.81,4366463.645,18456312.15,2785431.835,10762271.52,3462247.391,58734543.44,9342741.036,3149819.802,8934076.588,41311036.51,4575632.649,3196359.461,2662178.633,12200480.03,2993251.534,3631734.859,4169722.188,6200528.783,599518.4945,6234803.654,6249833.335,12548611.3,1488494.688,827221.4365,8258182.663,9284334.691,3713301.964,16382614.53,8282623.732,11386344.51,891231.8435,5593729.621,3027708.267,5995925.927,3630480.75,5388080.716,6554406.383,13857307.34,1777028.271,16255394.42,2498252.641,6778552.368,1439140.439,6534458.552,3425027.892,4929770.719,3665166.451,5413194.398,3795861.503,7655281.599,5251871.828,10052069.87,8131828.912,10053657.85,5877121.154,3854298.356,129527432.9,4129426.488,4190882.471,17373521.82,3468133.832,5835789.444,2091508.033,3527766.574,6892313.819,7139176.806,3467663.318,1183876.818,2701558.779,4841548.59,5908531.277,29850656.3,7477123.917,2167757.969,5627950.327,5430058.835,4240838.406,7774782.134,9189970.688,33067895.96,1564050.767,15904214.39,3934988.045,5396522.244,5901950.195,2183135.896,42165387.22,7843077.959,840056.7519,6178607.214,1489941.873,812659.8548,3584328.065,6301043.581,5252290.182,18744968.51,5192129.12,2457612.462,1750695.715,3351046.156,3233672.499,5379639.187,6793410.889,2082910.127,2778293.43,9803101.505,8321943.235,8849528.819,3053718.979,686378,1190689,1931608,2030664.106,153.0351125,1190689,153.0351125,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Phenylacetaldehyde","122-78-1","C8 H8 O",95,98.2,100,785,946,100,-0.49,true,true,"w11n17_w11rep",4782,0,"None",0,0,"Phenylacetaldehyde","122-78-1","Medium","122-78-1","CAS-RN","DTXSID3021483","Phenylacetaldehyde","DTUQWGWMVIHBKE-UHFFFAOYSA-N","Phenylacetaldehyde","2.83E-06","Y","-",114,"O=CCC1=CC=CC=C1",10,"Y","-",192.858,0.000139316,0.992,0.398,1.61065E-4,85.198,11.281,0.66,0.0158125,34.333,147.162,0.000568853,1.76198,0.428549,0.0628058,2.76275E-11,9.15416,6.42286,195.175,2.8158E-5,0.147461,4.42376,63.1854,1.77993,32.6247,0.393199,0.0259986,"-","-","-","-","-","-",0]
[1198337.2816214634,5449,false,0,"3-Ethyl-2-oxazolidinone",115.06331,7.133,2645152,72.04441,188787572,1225893,"C5 H9 N O2",115.06278,115.06276,92.7,100,100,632,825,1131,0,76607.31955,0,111354.423,3558996.597,6349887.348,4780315.929,2522157.101,10788795.26,407287.2667,0,1384687.791,134695.161,313897.1533,9181.165439,229810.5666,0,1120448.873,26788.93585,29011.83019,5145172.425,16335.21439,48773.15696,481531.9377,554410.2425,0,180482.7058,581480.609,0,98020.20594,10459.25957,177924.6176,2332111.681,56198.45524,58796.07159,0,745996.1788,411982.7181,496811.0078,680439.1704,111395.5733,407923.863,360592.21,427565.8683,606573.3569,55877.41585,468707.3213,3973968.211,74353.88427,0,732626.8392,660463.2599,2111154.427,189822.2674,507743.0524,371455.332,65584.34429,90339.15817,3191769.342,484747.9707,201083.7213,7766933.616,0,1836022.59,234221.1836,0,1707661.985,4278909.411,1041699.042,0,25089.7038,349729.088,221451.6851,0,119565.3743,68576.66026,996499.5858,968914.0897,8680.570767,1414610.972,0,305437.8502,202343.031,292673.2833,116884.5431,32345.37012,2717.119956,570716.1533,360592.21,43198.72963,612806.5641,1013263.475,18749.18612,583621.339,514476.1551,7804574.015,1132310.223,4871.764329,2014857.094,2143202.833,575935.6848,815414.2006,93508.54171,898075.4309,1981677.082,1015957.915,111595.4582,107320.9462,308481.5688,538057.7927,3145762.64,136896.2752,772582.8945,771594.0261,14275.08598,6433103.261,52830.95945,18172.41039,1878969.914,503358.7717,22277328.95,1916641.091,7360122.804,12986.95824,37004.66623,1209660.011,570639.6801,100109.8859,326986.7476,425933.5726,23494.4972,364881.2054,356303.2146,14783.2042,1683888.939,411356.9867,8023307.475,15536.36113,11300.68653,86483.07756,79111.47078,2104593.736,505791.5352,579267.6593,6575979.797,17939.13169,702318.8386,4819851.111,272426.1933,12627.04254,14769.87398,0,1854635.614,204452.1139,168003.984,44802,173821,569475,525518.2374,174.943509,173821,174.943509,true,true,"N-Formylmorpholine","4394-85-8","C5 H9 N O2",92.5,100,100,624,624,100,-0.18,true,true,"w11n17main1",18254,1133,"SemiStandardNonPolar",2,0.2,true,false,"3-Ethyl-2-oxazolidinone",0,"C5 H9 N O2",92.7,100,100,632,825,100,-0.18,true,true,"w11n17main1",18207,0,"None",0,0,"N-Formylmorpholine","4394-85-8","High","4394-85-8","CAS-RN","DTXSID7044427","4-Morpholinecarboxaldehyde","LCEDQNDDFOCWGG-UHFFFAOYSA-N","Morpholine-4-carbaldehyde","6.43E-05","Y","-",76,"O=CN1CCOCC1","-","Y",1.11173,222.679,0.0148936,1.075,0.762,0.0293765,89.643,-10.547,0.659,0,"-","-","-",1.96789,0.0963829,2.31206,2.6502e-12,1.44313,3.67557,238.885,1.95004e-06,0.0791206,3.95856,39.587,-1.05697,20.9732,0.85273,9.65758,"-","-","-","-","-","-",0]
[2117114.161561257,4875,false,0,"1,1'-Biphenyl, 3,3'-dimethyl-",182.1094,14.329,153790,179.08537,309211513,2007867,"C14 H14",182.109,182.10886,81.3,73.3,100,601,690,1535,0,45900.23493,85197.23729,56216.81478,562719.3314,1174634.18,147173.8254,480892.6302,16314807.05,540262.5911,920943.7684,1438904.392,452491.8922,227504.3932,377150.8922,639047.9268,1412287.222,1170027.858,3138500.804,769299.9683,588304.6854,485008.8394,617435.0647,263651.122,306744.1841,566724.9888,1025345.132,530637.221,2386735.172,75736.17945,577514.8371,1853948.266,571427.0035,137920.3119,12174533.5,562396.717,1448432.375,260325.471,513676.4021,0,434856.6026,1060959.41,35900.57248,1223345.755,7349391.563,1350934.396,665007.5938,1463283.156,278557.9878,302637.7886,188810.2298,9223173.334,797123.5506,559631.9299,434278.5106,3446232.281,1445191.016,225092.6673,545590.1151,1693821.03,328339.7859,402919.4908,18238271.56,1780469.05,27183832.33,461768.0236,1863004.75,430501.996,1068562.473,325054.0632,848067.7506,266732.486,595397.7444,590597.1805,474192.9103,646848.7349,561460.3804,39949.07116,201700.1404,701574.2961,774233.4296,8563461.537,1587608.794,379703.2468,247475.7308,349229.6261,3477120.407,1438935.864,1055697.19,472881.3129,299296.4401,6714769.19,1508791.038,577514.8371,582441.7351,349301.0914,6141390.929,115597.1334,0,625030.8164,489684.0528,2293857.757,697071.9858,305942.7077,177486.0343,1710512.197,519186.5869,2466799.443,5718388.153,338211.3671,1166186.66,355943.1552,660301.016,438178.6314,213273.306,885961.9039,454268.0003,105320.2458,676745.7883,280274.7194,604395.1465,12407186.05,1085935.247,159819.172,460446.1008,229954.8916,37832284.64,862931.5889,24190930.72,416798.9002,724847.2113,321895.0572,324656.7448,875319.1332,291408.5341,689467.6604,522265.4145,58096.43346,5623676.948,550634.5277,267030.4599,9960421.428,689732.3367,704933.8072,7928185.061,6208872.62,1049253.21,137328.6573,2251708.687,475173.9402,154960.9701,299871.2085,121657.0381,1541874.886,0,83589.5,150355,317818.5,537555.25,241.0541296,150355,241.0541296,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1,1'-Biphenyl, 3,3'-dimethyl-","612-75-9","C14 H14",81.3,73.3,100,601,690,100,-0.8,true,true,"w11n17_w11rep",13824,0,"None",0,0,"1,1'-Biphenyl, 3,3'-dimethyl-","612-75-9","Medium","612-75-9","CAS-RN","DTXSID90210111","3,3'-Dimethylbiphenyl","GVEDOIATHPCYGS-UHFFFAOYSA-N","3,3'-Dimethyl-1,1'-biphenyl","4.75E-06","Y","-",24,"CC1=CC(=CC=C1)C1=CC=CC(C)=C1","-","-",741.31,274.317,3.03389E-6,0.963,0.632,1.17761e-05,115.76,32.65,0.657,0.0146893,38.694,127.148,3.47536e-05,"-",1.57036E-3,1.40605E-5,2.30429e-11,637.296,17.488,275.4,0.000527269,2.89805,7.25901,1964.6,4.93842,19,0.00201261,2.0161e-06,"-","-","-","-","-","-",0]
[3864478.895924569,3901,false,0,"2-Naphthalenecarboxaldehyde",156.05742,14.008,9199526,156.05687,593088011,3851221,"C11 H8 O",156.05697,156.05687,75.5,57.8,84.1,620,824,1516,0,4479.318369,52937.39891,75985.00923,2052934.517,2125161.517,3237598.372,6579107.608,5146821.286,1670115.331,56279.89542,2024925.519,5098998.532,5303603.204,39695.56656,2299445.449,3252075.118,1211493.266,3503403.383,1419240.753,14413175.84,3748683.174,9428725.072,2152624.027,1705892.69,6947188.146,56620.16081,3046292.921,2867925.858,4029780.665,2694225.213,1917683.935,12942135.5,6531884.927,1357010.538,3583368.544,1919858.711,987757.9299,1435178.642,4509588.876,1775033.505,760950.8824,1024801.16,2672869.185,4324458.276,899866.3718,3849456.635,2768704.191,2781636.446,674460.082,1786963.439,14431176.18,7441682.936,1551067.436,1174016.278,10155575.64,2577034.179,4485263.392,1333419.968,3093591.804,1037984.453,4174771.62,3139565.311,2263422.288,9290989.131,2109857.25,5041320.554,3719292.39,1508110.513,1551997.668,1304662.8,3803755.2,1305097.326,3541274.808,1784495.226,4302040.368,1417062.5,2263505.504,1885840.921,2372537.222,3035649.442,5027054.433,1836898.067,3138836.208,1031604.647,1777465.452,2944819.042,2987779.056,5366465.096,1545117.761,3088882.169,4780991.916,1695789.335,11450794.47,1220287.559,4658945.03,949180.3553,9435756.874,4262193.066,1177317.331,2672869.185,2501251.285,3420445.939,4716978.33,1834988.052,2763796.617,2506692.785,86034.93431,6874988.708,2324345.096,4395227.644,1388991.92,4043631.699,3198347.981,2057823.971,448919.8769,21223822.27,3209268.692,66957.37661,1430589.684,34302505.14,3299776.412,1832162.044,4423797.311,6305845.708,2333048.708,7699604.648,5156242.515,1494263.324,2406608.82,7823015.851,728407.7509,3179966.3,135453.0407,2916429.893,17418808.8,9627378.528,1899776.168,2429308.477,7005841.422,3031338.642,2193351.052,58948.585,4925190.861,1009085.704,23357541.55,3095951.122,3396397.612,8621457.553,1340205.38,1283711.884,1462527.881,1958323.652,2318445.997,1811683.868,621291,1030524,1782407.5,1513996.689,101.1841853,1030524,101.1841853,true,true,"2-Naphthalenecarboxaldehyde","66-99-9","C11 H8 O",75.5,57.8,84.1,618,820,100,-0.62,true,true,"w11n17main1",77051,1533,"UnspecifiedColumnType",17,1.1,true,true,"2-Naphthalenecarboxaldehyde","66-99-9","C11 H8 O",75.5,57.8,84.1,620,824,100,-0.62,true,true,"w11n17main1",77048,0,"None",0,0,"2-Naphthalenecarboxaldehyde","66-99-9","High","66-99-9","CAS-RN","DTXSID6075352","2-Naphthalenecarboxaldehyde","PJKVFARRVXDXAD-UHFFFAOYSA-N","Naphthalene-2-carbaldehyde","5.89E-06","Y","-",31,"O=CC1=CC=C2C=CC=CC2=C1","-","-","-",292.445,7.12853E-5,1.122,0.68,3.25837e-05,149.108,71.731,0.648,0.0063387,43.823,135.857,0.000231739,5.24807,0.0052723,0.000872971,2.53569e-11,107.732,5.36334,295.773,0.000441286,1.37701,6.30638,399.319,2.94541,61.8142,0.00071558,0.000506749,"-","-","-","-","-","-",0]
[7474910.497921039,2885,false,0,"Oxybenzone",228.07852,21.857,31081589,151.03897,1132282587,7352484,"C14 H12 O3",228.0781,228.07797,97.1,100,100,853,853,2035,0,8469.776857,0,8305.951386,2740864.303,3122065.043,1275718.424,3429971.559,6725032.062,5560226.457,11143565.7,21329600.85,4953072.149,15658699.37,2446169.686,138473.8632,17330651.71,5882827.628,2242201.447,4000592.76,3410173.992,33743307.85,4419535.192,4266277.149,5587588.869,2605604.939,717476.8223,1433175.738,9850362.684,2469994.388,2328701.933,3809449.21,4133434.955,2475966.755,1259167.935,3040662.234,2032039.721,14688948.62,65307.94613,5449153.194,15965051.66,11438371.49,687553.3698,57000120.32,8972520.709,8110473.069,4911367.67,10491712.39,50511966.38,5499513.088,1309780.809,19237087.21,2093311.692,4439739.104,1763409.683,27739323.05,5233383.239,2876509.421,1647707.765,25859.24449,3827130.806,1071419.745,1237808.187,22136476.99,9819321.657,6208198.099,8273836.89,16811429.3,4505484.185,887058.8685,462728.0381,2380480.617,3041493.741,7663546.894,5492627.242,11610880.9,1268385.308,7443165.975,2208630.628,1584497.993,46918287.34,1563442.228,2914073.917,17703465.92,3905906.425,3961694.996,840654.1446,0,3384275.494,25947216.96,5878350.219,7390278.538,11389545.47,1914894.626,3345653.215,2255195.323,2250172.83,4266704.833,5097787.492,5665079.332,2264511.268,3654663.385,24364310.45,5612092.31,4133434.955,11845526.98,9148.716767,11270405.46,51262913.15,9960461.042,8669150.391,1524181.099,4683598.083,3005361.913,3182804.554,15174520.2,3326937.959,0,11794625.4,21722190.32,1908765.188,6634940.438,3700235.474,13719891.77,5452294.962,4891279.861,12761333.49,42585.58123,11923670.63,4476662.602,188997.0105,27271071.62,5272401.112,7464990.163,8534074.844,3089363.585,42393.10146,1367856.296,3485529.96,2459723.788,4958416.802,2598857.218,6055343.114,7675415.833,1815118.123,2336584.294,3189179.061,2783880.087,2110205.449,1726317.018,3790207.308,2598309.216,7520650.782,19373291.85,7782704.052,1197555,2328318,4613772,4174679.987,131.0230411,2328318,131.0230411,true,true,"(2-hydroxy-4-methoxy-phenyl)-phenyl-methanone","131-57-7","C14 H12 O3",95.8,100,100,790,793,100,-0.54,true,true,"w11n17main1",285645,2012,"UnspecifiedColumnType",23,1.1,true,true,"Oxybenzone","131-57-7","C14 H12 O3",97.1,100,100,853,853,100,-0.54,true,true,"w11n17main1",285643,0,"None",0,0,"(2-hydroxy-4-methoxy-phenyl)-phenyl-methanone","131-57-7","High","131-57-7","CAS-RN","DTXSID3022405","2-Hydroxy-4-methoxybenzophenone","DXGLGDHPHMLXJC-UHFFFAOYSA-N","(2-Hydroxy-4-methoxyphenyl)(phenyl)methanone","2.83E-04","Y","Y",169,"COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1",320,"Y",50.5825,361.717,1.99986e-05,1.224,0.784,2.98538e-05,164.21,102.257,0.641,0.0276058,"-","-",6.69885e-05,16.9434,1.2218E-7,0.000311172,1.59242E-11,93.1479,3.5364,327.437,2.48418e-10,0.136127,9.7197,429.818,3.7854,65.5044,2.30687e-07,0.000212758,"-","-","-","-","-","-",0]
[8817128.130791392,2637,false,0,"4H-Cyclopenta[def]phenanthrene",190.07809,20.354,71361049,190.07755,1341800080,8712988,"C15 H10",190.0777,190.07755,93.3,87.7,87.7,912,912,1925,49,175728.2519,280990.4363,13656.95873,5002137.827,174647.0734,3818052.397,14335595.5,10148491.77,6494527.348,5099409.87,5369651.118,7970924.821,5755992.132,312609.4094,3956646.448,4543315.562,1954497.106,6311555.317,625818.3445,14793858.48,1007067.413,10562410.97,2349949.704,3580992.282,728921.6798,3504425.001,4405285.83,26110453.64,14756343.64,3804215.415,6308308.999,28912269.8,739666.3282,2750338.174,1327335.567,2649728.381,4474300.696,3058644.201,15970047.12,8981335.556,775704.8629,1081193.5,30252193.91,7645812.012,2989861.644,5241772.235,10236311.23,5447716.885,179002.5291,2705407.106,20564267.22,8646680.35,437192.1472,2206500.025,26515998.74,25740119.97,589853.3511,2214654.698,7717363.84,2561159.756,5515062.737,3209790.998,4104832.663,9462686.032,4843768.729,10053773.24,25497996.53,4027552.901,3879903.184,1242202.179,7018622.738,2241118.108,12910067.28,2646365.062,2275576.057,1826731.668,3981037.129,1825560.013,2531134.699,18533403.22,1049714.905,4180300.19,6299903.222,2825757.594,5501306.911,9919303.523,4474300.696,8153237.762,2815409.954,227379.3916,17965898.53,4211621.994,27344031.55,2539477.43,12870545.59,1981907.152,16311097.53,11050309.89,3318380.066,7841721.941,4669014.876,37023463.69,7352689.259,3668596.228,7461476.367,7647184.615,4227236.131,121350603.6,2199496.673,10338611.65,1509570.135,17476010.48,6627548.436,2595931.159,11397537.08,45175421.35,3745863.08,28883319.32,3228269.486,20229703.33,2426182.013,3186362.767,4823021.765,3574905.476,6147237.373,7669720.4,9061300.937,3333697.571,4142327.739,2927583.515,13871426.25,0,5115807.377,4190226.531,65475887.82,50662658.94,2161167.766,4427666.448,302920.8523,2531699.168,5653083.039,1660740.65,7865828.513,3680679.049,42497110.75,7995643.252,6307382.255,2668396.694,3618051.096,2351480.844,4520934.944,5309650.919,5860003.874,3650686.297,1389600,2724585.5,6225751.25,5403181.16,143.7702165,2724585.5,143.7702165,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"4H-Cyclopenta[def]phenanthrene","203-64-5","C15 H10",93.3,87.7,87.7,912,912,100,-0.82,true,true,"w11n17main1",161535,1876,"SemiStandardNonPolar",49,2.5,"4H-Cyclopenta[def]phenanthrene","203-64-5","Medium","203-64-5","CAS-RN","DTXSID1024887","4H-Cyclopenta(def)phenanthrene","RKZDZWJDQTZDLD-UHFFFAOYSA-N","4H-Cyclopenta[def]phenanthrene","1.97E-05","Y","-",57,"C1C2=CC=CC3=C2C2=C1C=CC=C2C=C3","-","-",543.25,351.39,7.8343e-06,1.206,0.892,1.50661E-6,148.72,123.8,0.639,0.00450817,"-",125.955,3.81944e-05,"-",3.155e-06,2.15774e-06,3.80578e-11,659.729,45.6753,352.964,2.63309e-05,4.4446,8.20829,91823.5,4.9228,114.228,1.23549e-05,5.73418e-06,"-","-","-","-","-","-",0]
[2604526.8946761596,4632,false,0,"4'-Methyl-1,1'-biphenyl-4-carboxaldehyde",196.08873,17.937,1028571,196.08356,368576147,2393352,"C14 H12 O",196.08827,196.08818,86.9,75.4,91.1,836,860,1760,22,11259.84983,75498.02908,16084.84268,1251219.6,277989.8408,675646.7272,2152100.201,2432410.192,963400.2279,1356786.428,1444103.116,15051237.95,821256.271,373057.4406,1248661.58,4712993.277,334654.1996,1265283.223,76118.48779,1270479.773,888716.2808,1691319.863,394498.7011,462372.2393,204619.6695,683836.7837,872145.8715,3795198.274,540566.0912,5422745.171,1527520.198,3161958.962,654159.5668,386941.6248,777802.3352,424530.6882,242406.2982,375821.3922,2866818.111,920006.5213,969819.0699,209119.4585,3682292.6,1637485.403,926058.2543,1010076.251,1407719.241,815639.446,107518.757,953650.8189,5139133.766,2403504.957,514416.0306,384486.6088,5506786.483,2170795.256,449656.8479,531204.6092,2620283.797,578356.3372,432703.1994,4655077.648,898465.6897,2345986.193,1188069.48,20063513.39,1990642.511,397455.9234,858123.9038,350663.4652,1646889.325,573763.5103,3154739.122,336580.9474,1865689.372,386177.5012,596535.9403,240109.8571,926058.2543,1024776.754,3867554.064,231650.6645,1312221.796,271168.7742,7600840.546,781558.6785,514019.2609,2552200.785,725899.2379,4480612.883,2059534.238,574108.3777,3491627.169,300571.2157,1539382.295,147142.492,1564061.92,22590972.03,229612.6411,7284281.55,825948.5015,2412200.68,853405.9801,653628.5114,936811.3865,11523318.87,998259.1855,20610213.44,663883.7703,105558.4408,445922.2944,1104008.4,1192434.417,578054.1397,1094020.966,51232051.44,5336101.629,30789212.32,186609.2951,4758189.691,2079839.651,141621.9123,839122.6664,2264765.128,282005.5011,9180793.743,82476.86861,165716.3632,651773.3975,102055.9696,1724403.082,699562.1096,760889.3207,901318.214,7766484.96,2667801.64,10009028.22,950798.2946,2391874.494,1518411.006,853333.1825,761342.3658,1039995.333,1736899.578,0,2042350.165,663552.5713,0,691120.3684,302671.9105,1123076.262,395704.731,1696004.703,426504.2501,108341,210094,462167,537648.7584,192.6495275,210094,192.6495275,true,true,"4'-Methyl-1,1'-biphenyl-4-carboxaldehyde","36393-42-7","C14 H12 O",86.9,75.4,91.1,836,860,100,-0.44,true,true,"w11n17main1",180221,1782,"UnspecifiedColumnType",22,1.2,true,true,"Benzo[3,4]cyclodec-3-ene-1,5-diyne-8-ol",0,"C14 H12 O",86.7,75.4,91.1,824,848,100,-0.44,true,true,"w11n17main1",180312,0,"None",0,0,"4'-Methyl-1,1'-biphenyl-4-carboxaldehyde","36393-42-7","High","36393-42-7","CAS-RN","DTXSID80362633","4-(4-Methylphenyl)benzaldehyde","BCINBWXQYBLSKO-UHFFFAOYSA-N","4'-Methyl[1,1'-biphenyl]-4-carbaldehyde","4.11E-06","Y","-",6,"CC1=CC=C(C=C1)C1=CC=C(C=O)C=C1","-","-","-",315.207,1.38995E-5,1.082,0.648,6.42688e-06,150.999,85.626,0.637,0.0107399,"-",132.775,4.12098E-5,"-",1.70608E-3,0.00012388,2.42545E-11,122.822,5.34355,323.026,9.91343e-05,0.830087,7.37205,549.449,3.2593,76.8235,0.000564223,4.37169e-05,"-","-","-","-","-","-",0]
[1861079.9578251652,4959,false,0,"2-Pyrrolidinone, 1-ethenyl-",54.04695,15.274,1194142,54.0464,287650659,1867861,"C6 H9 N O",111.06787,0,55.6,87,100,541,660,1591,0,175710.1747,38245.93409,227162.0122,2913732.065,458682.5914,2411708.517,2353310.462,2329194.063,181978.9526,3559753.471,1341101.352,1959268.168,254852.8096,3589757.372,1508768.459,717613.4275,641660.1835,2311933.994,843799.7307,2280117.637,490236.6197,2393676.366,1843789.666,1770414.998,662965.4873,1293891.041,1119683.591,2116471.851,357808.0719,2876030.636,2418683.864,938559.007,772236.9646,2827282.347,1838635.833,1606166.762,970437.5834,1639591.729,794507.9441,325056.4139,2103919.454,968007.0131,2106675.58,3547948.306,0,1761656.674,2197074.552,948905.2146,901307.5717,2045678.513,1671226.436,2438084.906,358920.5719,2018594.017,6035647.203,3188102.703,909562.137,478968.8151,2482150.343,750400.3458,630590.1332,1401248.593,1770268.469,1286186.244,639563.0412,5104037.471,1437416.511,1186901.93,6169263.198,2590488.325,2077510.871,1607957.021,2110155.943,2166353.716,1535066.492,1703983.304,422678.9945,1567915.409,2937119.849,1634440.403,148106.7655,5894091.549,2720047.556,1568140.626,1204755.113,2292868.318,1082089.674,1364446.22,1105029.045,2689082.272,2258258.614,2517380.959,1659971.816,2114959.207,717541.2238,954023.1231,3217240.605,1639591.729,2348640.226,732122.998,2441462.371,7392586.902,2025122.21,666457.9232,193825.8077,1834682.846,0,468557.736,1830321.827,4123812.562,1496218.614,1195234.578,1139507.714,2508855.474,592594.4599,1073071.033,1694964.95,1244664.811,1443594.176,2763291.906,1584218.507,1842796.36,5600459.867,3832127.323,1059006.734,1450731.283,1505948.234,1754907.319,2210110.137,3126202.135,577923.74,1067016.154,1908882.239,810453.4846,4303516.913,3911764.376,513946.3397,1095499.275,4077223.974,2746988.515,1526818.441,3176007.946,1476051.686,1497882.837,2071981.461,117538.3561,2018532.459,2553404.983,1566926.184,1789743.865,953298.2495,3185225.543,3168530.31,978856.5562,240728,405380,609448,470732.4094,66.16986545,405380,66.16986545,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-Pyrrolidinone, 1-ethenyl-","88-12-0","C6 H9 N O",55.6,87,100,541,660,50,0,true,false,"w11n17_w11rep",3498,0,"None",0,0,"2-Pyrrolidinone, 1-ethenyl-","88-12-0","Low","88-12-0","CAS-RN","DTXSID2021440","N-Vinyl-2-pyrrolidone","WHNWPMSKXPGLAX-UHFFFAOYSA-N","1-Ethenylpyrrolidin-2-one","6.18E-05","Y","-",116,"C=CN1CCCC1=O",10,"Y",2.0893,207.293,0.000335738,1.001,0.678,1.79473E-3,76.779,1.795,0.636,0.0125026,"-",157.627,0.0195884,4.0738,0.0453942,0.526017,2.7365e-11,2.91888,4.65846,258.173,1.57704E-8,0.146352,4.52551,55.957,0.368115,13.5616,0.958884,4.54753,"-","Y","-","-","-","Y",2]
[5009544.0736725135,3274,false,0,"1-Dodecanamine, N-methyl-N-nitroso-",211.21725,19.165,8413474,84.08078,867852194,5635404,"C13 H28 N2 O",228.21962,0,71.4,93.5,100,701,789,1843,71,13249.9569,0,0,17486069.3,0,3722604.586,178946.4054,8735540.904,0,0,12997307.97,16392483.35,479572.0642,10769396.03,3241864.745,25855416.96,226840.6134,4274071.742,12555439.72,26386020.86,139235.8533,2781696.212,14126234.53,596269.8283,0,1281109.369,1362958.219,5436906.279,466777.3947,9102254.684,1277542.515,5053458.119,15654198.74,25013562.94,2174008.156,4856657.257,94604.78086,4279726.445,0,3952926.568,548737.9669,3011780.479,1154164.003,1636092.168,154101.7904,12748696.46,10565657.91,2331486.019,95237.95848,3172024.436,234751.142,937148.0432,559866.5511,3890090.004,111059.8699,697985.4569,783114.2741,7841603.592,17903887.07,1204359.477,6774787.724,3891896.284,3846922.664,2016906.827,5769305.001,2851536.521,9701738.339,588566.0614,7932271.837,4597199.815,4935361.141,354711.7791,8502605.148,3011780.479,11009441.12,134998.7438,7416291.146,1766735.678,7690579.61,644272.7689,9724894.284,6311849.696,10445958.19,1243226.917,5691154.815,24005.05833,1964897.852,603559.8816,9808176.484,4558478.354,0,351577.429,17052921.72,5466035.93,0,312489.717,3979103.392,11670389.6,769925.1494,2422233.718,3472919.127,15955761.44,3076074.466,4082446.549,2098682.532,1509286.727,0,1754652.854,1991318.191,8904029.849,1917748.5,3055804.741,847622.014,7794218.254,0,0,7006730.626,5486232.277,51703.31134,3954083.915,10793856.77,267499.0295,4424118.233,4775497.98,134780.3663,776146.2349,42007053.41,548134.8483,7265547.011,18801820.92,0,5952560.475,6219759.677,75841.0024,1312668.162,11687467.54,77207.22848,3305308.897,6556899.145,446978.4803,295024.4667,17663454.77,166967.0454,7728357.641,11088729.78,224938.9235,5892075.607,11206654.87,2718252.06,3961026.321,29698.41666,0,105944.3413,599235.4128,214233,957739,2372506,1664296.022,122.1733894,957739,122.1733894,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-Dodecanamine, N-methyl-N-nitroso-","55090-44-3","C13 H28 N2 O",71.4,93.5,100,701,789,100,0,true,false,"w11n17main1",285430,1772,"UnspecifiedColumnType",71,3.9,"1-Dodecanamine, N-methyl-N-nitroso-","55090-44-3","Low","55090-44-3","CAS-RN","DTXSID4021000","N-Nitroso-N-methyl-N-dodecylamine","QPUKANZXOGADOB-UHFFFAOYSA-N","N-Dodecyl-N-methylnitrous amide","6.11E-06","Y","-",24,"CCCCCCCCCCCCN(C)N=O",1,"-",69.8232,282.496,2.63027e-05,0.973,0.411,1.15611e-06,150.963,34.775,0.633,0.0233884,31.346,"-","-","-","-",3.52371e-05,1.45421E-11,1483.95,5.6782,239.154,6.79799e-05,6.43207,6.32368,3258.92,4.38108,1.57084,0.0130207,9.24082e-05,"-","-","-","-","-","-",0]
[121386413.56841059,418,false,0,"Phenanthrene",178.07806,18.394,2146090316,178.07751,18373092481,119305795,"C14 H10",178.0777,178.07751,97.7,96.8,97,948,948,1790,4,4024681.762,5455653.567,2195381.446,91099439.6,24343947.81,53123428.58,213994538.8,119929394.7,82016399.32,98726287.94,118783263.1,114707702.3,72522482.07,28691982.47,61868846.68,60305980.26,47862675.09,92824529.9,46874945.1,164764661.5,102123626.9,154836244.5,36232807.29,50478766.55,98920201.39,56890465.05,54819908.54,239837097.9,91440134.16,46129772.26,82392439.47,205846837.6,102113465.6,37456371.14,77269440.69,31526189.3,38461865,31207168.29,180972174.3,88147805.55,61553100.81,18371043.35,266307064,83387895.04,59651882.12,64042924.03,141098948.7,72120856.01,28609775.52,55702447.57,394975261.2,143311001.1,70664494.4,40722632.12,382563560.5,356372162.5,116703171.5,34859253.71,139203674.8,56188626.52,89959972.27,57354501.35,80321154.65,158978908.8,74217726.74,170872907.8,255693224.8,43311042.94,56805876.59,29026817.04,119244653.4,38557321.53,221011860.8,42975427.62,188839409,34949986.71,66031265.04,29616222.91,53374455.05,109378053.3,192476912.2,59547427.25,109645925.2,42973046.28,82140445.73,77911964.04,77269440.69,115041890.8,48428840.47,51845267.75,158085271.1,58209458.8,326232192.2,34632068.52,165857883.8,63331275.22,164623318.5,146694408.5,42111188.53,88396730.13,88394969.01,223978743.5,89011592.67,49503882.56,71904213.81,224479741.4,61964558.27,2483270859,40901876.11,135889291.9,29297229.76,13292905.56,80290452.09,46114531.74,103267267.2,377906317.7,150121270.2,328979182.2,27362250.86,217188853.6,148506058.7,32509584.15,45885317.15,146833409.6,48005325.5,83427742.36,125992441.5,33788267.01,42979143.94,122641863,97533809.26,68653262.74,260368434.1,38107154.89,533732394.2,346372863.6,25711875.89,45393754.13,112205680.5,87796648.93,55038253.44,83942179.35,65859810.16,58810291.33,273268670.9,98416212.94,56974111.53,129708244.1,67551525.34,27545644.33,56443067.69,43905881.74,71111139.03,39279590.41,44511356,73331656,132501654.5,115401901.2,161.8243909,73331656,161.8243909,true,true,"Phenanthrene","85-01-8","C14 H10",97.7,96.8,97,948,948,100,-1.05,true,true,"gc-orbitrap contaminants library-2017-09-18",37,1794,"AnyColumnType",4,0.2,true,true,"Anthracene","120-12-7","C14 H10",97.3,96.8,97.3,928,943,100,-1.05,true,true,"w11n17_w11rep",13293,0,"None",0,0,"Phenanthrene","85-01-8","High","85-01-8","CAS-RN","DTXSID6024254","Phenanthrene","YNPNZTXNASCQKK-UHFFFAOYSA-N","Phenanthrenato","8.35E-07","Y","Y",184,"C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2",26,"Y",633.87,340.522,4.62381e-06,1.117,0.651,5.02343e-06,150.039,96.962,0.629,0.00893306,39.414,126.54,5.39511e-05,7.44732,4.89779e-05,3.54813e-06,1.33228E-11,2486.86,42.3429,339.957,4.25912E-5,5.0103,7.55002,22309.4,4.46529,156.882,1.11975E-4,1.42962E-6,"-","-","-","Y","-","Y",2]
[8782626.822824504,2783,false,0,"Anthracene, 2-methyl-",192.09384,19.984,5341993,189.06967,1211992337,7870080,"C15 H12",192.09335,192.09329,90.3,84.2,95.6,830,896,1899,6,82474.11625,216376.1054,65131.41721,5932336.685,1793105.067,5280819.661,14241468.15,16443890.51,8584977.553,6889448.367,6827218.882,8411864.801,6687297.784,2354126.958,6755334.016,4501177.327,3422074.798,6655003.258,4003878.084,8761334.709,10417494.76,10270042.3,3835769.172,5525112.686,5825701.458,3018035.805,4315867.334,53804471.8,11743206.99,4900428.165,11484285.58,21849457.13,1120059.164,4369843.212,9485770.096,3954193.716,535092.5256,4536791.774,20080123.8,25979339.05,2670338.995,1688973.793,33567038.3,15373590.14,1731627.371,6293669.971,15452272.66,11217620.14,119459.3642,3323902.188,24228919.85,15501883,294418.9227,2502497.419,24637536.83,19653356.22,10431853.63,4758497.489,12612701.72,4986478.997,4243938.84,2667437.976,6762636.674,7951696.389,5127205.074,5824964.535,13436732.41,3541900.666,3831378.245,1397075.163,7881688.332,6762375.407,27086603.01,3545791.358,9801103.904,3388994.859,4775958.754,1468826.158,3843143.916,7794173.689,19262013.03,5828890.946,9883784.841,3709341.917,6047162.173,2901860.922,6293669.971,9791571.471,4041073.658,3104884.349,11374433.77,16137196.53,12699884.57,3971169.149,10077843.79,8497406.809,8951706.81,12922768.51,3318069.565,5613119.232,3679084.245,15342998.52,4836775.984,4358350.689,6813732.504,7300863.882,7129456.613,56337475.1,2252964.717,8743162.451,2442431.418,8717023.731,4332444.78,3031638.628,8170147.392,19881965.52,22467651.59,17932415.43,2486120.188,10122778.62,10571013.86,2413030.901,2856741.111,13763060.69,3988585.929,5302863.976,17988325.89,2996530.867,2924686.116,8890078.075,12051842.2,6441650.403,15203130.48,2852019.73,39186469.49,16136653.1,1648976.594,2834587.167,8986556.779,6700740.386,5005015.164,6145689.54,10547071.65,3557879.909,15264025.13,8311776.765,4312784.462,9390834.54,3227050.901,2034577.257,3856819.2,4470272.603,5564304.076,3166965.804,1397448,2663325,4177240.5,3395569.901,90.85574344,2663325,90.85574344,true,true,"Anthracene, 2-methyl-","613-12-7","C15 H12",90.3,84.2,95.6,830,896,100,-0.31,true,true,"w11n17main1",167472,1905,"SemiStandardNonPolar",6,0.3,true,true,"Anthracene, 2-methyl-","613-12-7","C15 H12",90.1,84.2,99,819,910,100,-0.31,true,true,"w11n17_w11rep",14593,0,"None",0,0,"Anthracene, 2-methyl-","613-12-7","High","613-12-7","CAS-RN","DTXSID8060616","2-Methylanthracene","GYMFBYTZOGMSQJ-UHFFFAOYSA-N","2-Methylanthracene","2.41E-06","Y","-",53,"CC1=CC2=CC3=CC=CC=C3C=C2C=C1","-","-",392.645,360.561,1.96336e-06,1.098,0.724,2.12814e-06,157.398,94.063,0.623,0.00841395,38.011,125.179,3.43558e-05,"-",1.88799e-05,1.45881E-6,4.1798e-11,2775.88,24.564,349.966,3.5836E-5,0.95995,8.41395,15250.6,5.00119,104.325,5.35466e-06,5.23205e-07,"-","-","-","-","-","-",0]
[2538847.4473220534,4640,false,0,"Isoquinoline, 1-methyl-",143.07341,11.036,1424179,142.06503,366361799,2378973,"C10 H9 N",143.07295,143.07286,85.8,75.6,78.9,776,798,1348,3,91875.77343,30085.1755,23669.95425,1635978.477,1377633.218,102285.7529,4111518.76,5250289.425,2585004.526,430542.4551,1774595.674,1650391.104,1564558.376,77442.36568,678827.935,1884536.01,34909.34903,1859587.511,14834129.97,0,1915420.211,3614719.028,1875793.215,1442839.381,2787022.443,31718.90906,2248295.631,1693949.481,3056943.327,81667.07241,1712493.389,2149329.426,1889847.525,21125.44588,2382763.528,830566.204,4560207.644,1034594.847,3683775.565,1521750.119,7740682.95,22370.56057,3273290.305,1825367.186,22839.55377,22768.99727,2825647.106,2851238.766,7714812.784,2184428.793,6218419.155,4374843.139,1484007.63,1412783.076,7205833.225,1530677.751,3312900.57,1117922.428,1150020.785,945494.9517,2631690.861,18695.37029,1638696.008,2266131.861,1567233.651,25434.81095,4358621.933,1786290.77,866124.3769,981772.5714,2971288.847,1010991.993,2153887.364,12732983.37,3833261.857,663137.5336,1378552.958,385790.6907,764958.7275,1762194.24,2310985.493,1419116.01,2870506.908,1491171.835,2826145.817,712568.3022,2428342.071,2519821.347,1466279.209,1182849.878,2864154.336,1431123.439,3058788.339,46127.88172,2565572.238,1011184.161,9427857.065,2147911.784,1712493.389,2208331.544,1477611.431,2192351.648,1904972.357,901991.959,2349731.113,1611656.872,111234.7028,7139946.767,895847.5766,411859.3021,776983.0363,2157775.43,1727719.304,883502.5446,192383.3105,10617257.77,13508019.44,833436.3577,1709341.898,5118504.776,141836.0599,1415816.624,729522.6013,414658.3191,3099253.65,682677.4029,197328.8725,2235564.882,1338158.961,0,6640798.116,3524486.549,273809.4731,1783392.434,7223852.346,34976343.31,1321328.862,1668030.793,5116815.122,2322610.57,2320740.559,2236931.793,2142595.91,4699479.934,465044.1982,1342250.203,2767331.451,238393.1741,767777.1403,1465974.685,1275613.264,3425917.037,1751383.921,1715644.879,154436,287011,455962,411092.3356,119.1177146,287011,119.1177146,true,true,"Isoquinoline, 1-methyl-","1721-93-3","C10 H9 N",85.8,75.6,78.9,776,798,100,-0.63,true,true,"w11n17main1",51598,1345,"SemiStandardNonPolar",3,0.2,true,true,"Isoquinoline, 3-methyl-","1125-80-0","C10 H9 N",85.7,75.6,81.4,769,807,100,-0.63,true,true,"w11n17main1",51535,0,"None",0,0,"Isoquinoline, 1-methyl-","1721-93-3","High","1721-93-3","CAS-RN","DTXSID20870904","1-Methylisoquinoline","PBYMYAJONQZORL-UHFFFAOYSA-N","1-Methylisoquinoline","-","-","-",19,"CC1=C2C=CC=CC2=CC=N1","-","-",27.9254,254.372,0.000114025,1.081,0.341,0.000129122,109.189,43.5,0.621,0.00685488,39.186,140.233,0.000399945,5.03501,0.0100231,0.00287078,2.92851e-11,14.6274,3.65085,253.053,4.25125e-05,1.59791,4.43262,456.291,2.33122,10.3156,0.500896,0.0188693,"-","-","-","-","-","-",0]
[13519656.335293047,2129,false,0,"2-Isopropoxyphenol",152.08365,15.563,280017401,110.03622,1935651051,12569163,"C9 H12 O2",152.08318,152.0831,94.3,92.2,97.7,868,909,1609,0,18748.33607,744344.4184,203159.0862,6578279.392,2131506.247,1286357.154,18838343.72,12194046.78,6639405.002,19107457.9,1185846.244,1788046.294,6946267.802,33787.27948,1251657.39,4268835.014,1646176.654,28924.31556,1296944.873,2880026.109,2072408.381,228081.3361,2058808.014,25416420.33,1472399.018,100362.4505,1550228.167,1923427.154,4433928.063,2924009.559,4908689.941,505204.0244,62661.16524,52478.55139,1233005.651,5827478.396,1605133.721,155720.6037,3528399.341,3109544.122,30976.60417,5255255.781,3522019.752,5812150.631,20002.27515,1331902.244,3742208.723,6900908.319,25465209.07,109125.9747,1619582.489,949504.0657,1259608.495,109989.3132,31333999.69,2110683.012,8192906.58,79864.40881,5141754.282,4612678.082,2157742.804,49932.35409,17247279.13,824864.9089,478926.3301,0,3910470.015,11147853.83,777204.1439,426495.9008,7124672.18,1736171.296,2378241.128,2239626.692,1923427.154,348798.7486,10061621.35,10153047.52,34310650.18,1338713.126,1115308.637,811645.9215,6330665.94,3369467.978,2356963.89,1899501.108,9079351.848,3527441.924,691935.4264,7164370.074,121213.8726,3573189.72,108100672.8,2235932.245,135523.0753,7025694.896,747861.9344,100570.0925,1906273.899,789581.2003,1387886.367,17836.60779,2938757.938,3461009.129,607462972.2,55210.61401,40634.57803,5610949.487,879805.5397,85039.5312,3025164.176,168794.7919,724304.6826,3272069.513,367000.5703,2918068.721,0,410134.7019,9275687.265,6422753.62,77163.50363,3122011.327,1291527.48,0,1779359.689,8943557.123,326256.1044,4137872.857,6078628.424,174539.0392,14720179.88,2321146.275,144180.941,1557387.79,6929856.68,1060677.773,742965.7242,1152906.85,332897.7728,1451721.85,4295470.636,505249500.3,253208686.3,7275109.958,509199.0234,4658853.332,6492808.202,207714.0057,1957977.179,1348458.926,1888877.128,5243914.226,10775322.58,4897766.492,210684.25,655692.5,1687571.75,4348023.595,557.2368343,655692.5,557.2368343,true,false,"Propoxur","114-26-1","C11 H15 N O3",76.1,96.9,99.4,868,928,100,0,false,false,"w11n17main1",219761,1606,"SemiStandardNonPolar",3,0.2,true,true,"2-Isopropoxyphenol","4812-20-8","C9 H12 O2",94.3,92.2,97.7,868,909,100,-0.54,true,true,"gc-orbitrap contaminants library-2017-09-18",259,0,"None",0,0,"Propoxur","114-26-1","High","114-26-1","CAS-RN","DTXSID7021948","Propoxur","ISRUGXGCCGIOQO-UHFFFAOYSA-N","2-[(Propan-2-yl)oxy]phenyl methylcarbamate","7.32E-08","Y","-",170,"CNC(=O)OC1=CC=CC=C1OC(C)C",1196,"Y",4.9545,285.351,4.54988e-06,1.082,0.684,3.78443E-5,142.63,84.049,0.614,0.000988553,"-","-",0.000412098,16.1436,3.06196e-05,0.00252348,1.50794e-11,8.30227,4.64523,287.594,1.4229e-09,0.0960024,9.21559,46.9061,1.52408,87.0086,9.65906e-06,0.0088806,"-","-","-","Y","-","Y",2]
[788653.1802567546,5780,false,0,"Naphthalene, 1-methyl-7-(1-methylethyl)-",169.10168,16.398,234692,170.10489,126213734,819570,"C14 H16",184.12465,0,58.8,68.9,89.6,562,629,1661,68,122114.9996,56332.74621,70027.20127,314194.0139,164559.9135,0,0,734324.4445,173366.4951,648277.3822,0,482483.9917,222737.0621,0,412744.3849,315627.5143,309989.8204,1819669.416,487232.6931,384881.8794,161605.8656,419808.1708,800706.2527,1362892.123,362018.1044,18390237.08,244293.2773,862479.685,316297.0514,149131.8993,702297.1867,387282.8479,155042.6148,307378.2845,338822.8093,457323.1707,0,226844.4092,8431673.329,471372.7879,0,137713.9506,508252.2804,1214117.576,4517551.141,254519.0838,411866.5973,103625.0682,1919589.216,127446.9009,788198.6895,449529.1122,2795164.634,158562.5777,2023739.104,291851.4494,221975.7333,836687.0465,475216.5447,145074.3293,218857.4618,0,7748083.18,324512.8542,353132.7645,1339343.615,0,196468.3484,3518368.047,132675.9435,261337.2082,1628141.916,744437.7725,0,252159.6243,645429.4878,338822.8093,369263.6623,552955.2392,363559.778,272071.5785,192447.1465,8555754.345,107828.1619,1650418.045,0,491917.6362,453580.5963,337024.1468,213968.7379,436700.8403,297734.186,560962.5028,112173.7929,278303.5641,4489804.633,160133.5799,552594.7272,253539.3135,206493.4731,0,387716.0301,120379.8253,1122375.158,118970.9055,284005.4997,523662.1785,411749.5132,119477.571,297241.1615,412254.23,156756.4595,650523.4247,1258483.05,494462.729,446763.1755,233357.9896,346412.9756,0,523942.8644,359922.8175,162623.7783,251308.2172,403312.8069,135518.5574,246842.6735,348440.7098,396062.2735,666631.4496,541483.0167,1546162.41,171587.571,389226.847,637485.9155,388960.1723,158633.7207,54333.71607,156133.0163,0,188398.1415,206124.4629,567327.8222,1436149.025,205445.1971,2142240.785,375714.4893,105799.421,456932.036,144037.0536,127289.3781,752523.3513,0,331232.6431,114934.288,98117,167375,268722,413922.1825,248.1825571,167375,248.1825571,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Naphthalene, 1-methyl-7-(1-methylethyl)-","490-65-3","C14 H16",58.8,68.9,89.6,562,629,100,0,false,false,"w11n17main1",145499,1593,"UnspecifiedColumnType",68,4.1,"Naphthalene, 1-methyl-7-(1-methylethyl)-","490-65-3","Low","490-65-3","CAS-RN","DTXSID10197657","1-Methyl-7-isopropylnaphthalene","UZVVHZJKXPCUQU-UHFFFAOYSA-N","1-Methyl-7-(propan-2-yl)naphthalene","5.45E-06","Y","-",7,"CC(C)C1=CC2=C(C)C=CC=C2C=C1","-","-",1096.48,278.412,3.11889e-06,0.972,0.73,5.90201e-06,126.786,13.298,0.608,0.0107152,35.005,119.597,4.42588e-05,9.93116,0.000726106,1.09901E-5,1.84346e-11,924.082,3.35888,281.669,0.000534926,4.18777,7.04731,3100.61,5.1299,4.45809,0.00411214,1.19952E-5,"-","-","-","-","-","-",0]
[13438218.297534438,1987,false,0,"6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one",208.14638,12.314,2255607,108.08894,2179771656,14154361,"C13 H20 O2",208.14578,208.14583,91.2,97.8,99.2,602,659,1419,14,1245926.506,876924.3089,259855.6064,11769759.96,3151862.064,10611691,7729665.045,4712915.829,3685637.759,11849831.79,10977088.99,11898314.8,7634330.419,11419210.83,40994651.91,13487199.52,7484892.217,6339123.58,5309406.547,5609407.065,12751456.62,5682133.603,21828078.34,10511015.81,5409992.449,14061009.1,48483533.31,38698132.43,4951824.755,5978259.673,50580295.54,14729618.96,610096.3866,12274218.28,12082210.58,38850387.27,2262286.507,5628961.233,67737939.59,3564412.495,0,7939145.539,11362607.66,13711745.48,10561353.41,8436626.352,28672036.93,6278511.184,1978579.23,5796259.893,44818461.46,10998390.21,227753.2533,3011923.011,13290749.12,16436415.15,9484499.811,10803756.36,28896180.29,2668929.868,711857.2448,38073785.97,40462757.49,9112455.558,12310092.71,10318950.45,22423823.13,14674363.15,2561110.331,9644109.016,21307255.85,4626828.566,6732068.091,12519444.27,16157001.22,18808005.85,26411635.7,20114735.52,56815656.25,10112262.63,10247327.41,18701845.34,29151669.99,15027061.73,5235802.73,26667269.91,9578338.501,6433482.539,12181736.43,10835835.87,6460998.834,21520351.03,14655086.79,7834788.33,7498430.655,7400716.755,6947078.636,29662020.3,8380701.897,11973136.45,25805315.9,21032791.45,7892607.653,14779760.71,9309877.756,7809561.909,2919508.579,10670360.06,9278570.207,2048270.858,10681091.14,2013965.95,5968135.819,10561353.41,6043876.597,11565515.6,8658437.409,4000161.17,11763805.87,21259619.66,9157959.476,31075058.86,11738768.59,3656400.506,6969965.912,11607652.28,4252353.77,7582265.573,16278180.47,5047428.747,14246128.72,11479555.82,7062820.353,7007506.152,9643150.993,1220081.316,5447421.333,9383538.195,9542797.916,5179690.243,6130283.467,16419438.76,7983968.099,20667227.46,27232518.06,17682770.58,26999338.74,12624188,8829831.428,16667058.45,13527742.19,14436653.67,25545262.35,15776713.15,1196314,1901070.5,2928951.25,2607894.48,96.6613307,1901070.5,96.6613307,true,false,"6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one","50464-95-4","C13 H20 O2",91.2,97.8,99.2,602,659,100,0.23,true,true,"w11n17main1",217148,1433,"SemiStandardNonPolar",14,1,true,true,"(E)-6-Methyl-6-(5-methyl-2-furyl)hept-3-en-2-ol",0,"C13 H20 O2",91.1,97.8,99.3,599,971,100,0.23,true,true,"w11n17main1",217208,1514,"UnspecifiedColumnType",95,6.7,"6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one","50464-95-4","High","50464-95-4","CAS-RN","DTXSID10342165","6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one","CQPPRTJQWXGAGK-UHFFFAOYSA-N","6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one","8.99E-06","Y","-",4,"CC(=O)CCCC(C)(C)C1=CC=C(C)O1","-","-",211.836,240.469,7.76247e-05,0.993,0.612,1.99067E-5,101.058,74.482,0.605,0.00719449,34.19,"-",8.74984e-05,4.9545,1.91426e-05,0.000562341,3.161e-11,66.785,4.92107,260.152,0.000165311,0.899161,6.66044,367.717,4.3571,2.64128,0.0273183,0.000383274,"-","-","-","-","-","-",0]
[1414708.4129755497,5236,false,0,"Bicyclo[2.2.2]octane, 1-methyl-4-(methylsulfonyl)-",123.11741,12.517,239883,189.15906,230640944,1497668,"C10 H18 O2 S",202.1022,0,58.4,81.9,100,779,983,1431,84,4258.006406,2799.00007,3014.985902,7173865.515,17272.85628,84666.00361,136727.1836,632590.0126,41177.96195,195257.1141,100369.7989,990694.5609,13604.68176,63192.2832,357603.5036,167607.3587,57551.57487,31576.36352,1019130.165,2967091.695,103009.5133,4105615.535,73083.96014,12156.92633,43899.42572,96862.4861,17577388.6,54071.75342,25617.58384,3482966.981,132722.54,132584.7731,53100.31995,7714294.518,109764.9176,100372.039,22311.17754,51334.07727,155086.7048,101689.6561,13543.54887,3938.721177,132386.9539,280362.7656,15289977.84,45169.89031,122531.0961,99825.39884,62991.71217,10479.14402,241153.0944,73433.67727,94843.42362,4299412.74,116077.8979,103553.9133,71553.4862,111138.4129,233212.7394,875887.5418,98136.41364,37109.87293,331381.0207,97206.94065,138996.0462,43021.32113,0,16433.08242,184757.9848,148306.7099,457417.5578,96670.50195,160898.1269,13939.40455,363282.9815,177918.6498,500152.6348,79777.59211,4385621.408,44899.33202,39978.04224,71447.94793,9754459.565,83062.70178,236540.6456,50768.33131,7265179.401,126716.837,70202.75112,41958.45765,12122981.14,77002.46066,101689.6561,42213.44675,235346.4466,218848.6514,9693.835905,273985.796,68324.33136,44988.57821,226039.3442,19909583.51,44355.35526,11150520.68,18257.2201,91175.60522,884960.9468,113261.9117,106759.6895,148331.4137,103525.5777,3017.371106,95557.16805,36063.95944,124450.7301,280705.909,245383.8141,4323175.712,33826.53519,204006.663,284094.724,202393.4751,124938.0473,114967.6494,8189399.128,103742.5498,16294077.88,15997.44734,67098.53702,277966.8503,75584.57789,37064.11382,271782.9631,99188.6546,10956.23494,81415.58023,57497.82807,87470.63645,203827.4199,19711.14048,6308287.526,32338268.47,99636.76237,41573.19824,209826.4627,17319.36526,39394.27422,672693.781,73310.43096,25945.43981,11314.72116,27928.31668,179601.5937,23032.73931,11975.25,23499,51760,348816.3733,292.3977218,23499,292.3977218,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Bicyclo[2.2.2]octane, 1-methyl-4-(methylsulfonyl)-","69855-48-7","C10 H18 O2 S",58.4,81.9,100,779,983,50,0,true,false,"w11n17main1",195175,1515,"UnspecifiedColumnType",84,5.9,"Bicyclo[2.2.2]octane, 1-methyl-4-(methylsulfonyl)-","69855-48-7","Low","69855-48-7","CAS-RN","DTXSID40342173","1-Methyl-4-(methylsulfonyl)bicyclo[2.2.2]octane","TVLGUFAVQMZKKI-UHFFFAOYSA-N","1-(Methanesulfonyl)-4-methylbicyclo[2.2.2]octane","1.11E-06","Y","-",5,"CC12CCC(CC1)(CC2)S(C)(=O)=O","-","-",34.435,284.347,4.18794E-4,1.091,0.701,0.000184077,165.436,105.251,0.602,0,"-","-",1.1722E-3,27.9898,0.000563638,0.00480839,3.59253e-12,2.87505,361.195,246.994,5.3862E-5,0.0778395,5.7812,1041.7,3.42637,135.141,0.00306148,0.0574896,"-","-","-","-","-","-",0]
[1465329.618089112,5261,false,0,"Tris(1,3-dichloroisopropyl)phosphate",378.89935,25.334,5659811,76.99669,225103353,1461710,"C9 H15 Cl6 O4 P",427.88336,0,77.3,99.5,98.7,874,875,2311,14,187867.7373,42010.95022,76303.33696,1530819.872,1063767.705,366998.7185,267459.5344,2892796.9,947427.4735,799717.1562,0,57226.41561,194805.208,213133.1419,672089.6313,34794.97551,23380.44218,806980.4681,46151.19028,3920083.693,647251.2251,538609.0434,329939.9224,683101.2364,1318137.373,134901.4402,360122.4298,2009686.91,367445.7149,469294.4131,56849.11061,98293.19124,2837353.02,452803.881,825228.6056,60170.61707,281944.5486,2318197.01,6947545.017,1813256.528,1865490.63,4413.508587,234715.4567,558299.0862,63063.1227,166471.8239,676133.0267,196882.1004,0,483636.8812,0,135360.5477,246755.9227,1126796.457,1641922.918,9450577.19,911700.825,88822.15216,4630990.565,0,31148.15862,421970.8808,3667341.125,5358546.943,90227.23352,1773265.196,564908.3625,2324372.245,0,145064.8011,132537.2534,2448308.3,2800917.637,4691967.669,133276.17,7053.635469,21611.39069,0,1210316.911,1446599.869,383464.8661,429070.4722,880036.8515,577086.1718,279043.3998,26950.02459,584965.6951,1432836.388,515780.7933,313189.3181,2037366.537,6137061.972,46810.84917,111273.5693,298963.4986,0,1436017.44,1484266.677,172657.9802,233971.2619,317330.6122,3147375.614,71484.74266,48186.01172,1778357.833,90590.80848,8306724.678,906512.6821,58045.29491,3722600.575,452803.881,1349038.409,527738.3848,303792.374,37357828.4,4748866.591,0,985091.5061,193092.298,0,368382.9303,77741.20071,339677.1668,0,4822376.844,108750.5538,5019350.261,1119174.946,866017.7024,421200.479,4268294.224,261520.1319,0,233890.257,2199974.332,385795.1639,18844.55154,571884.2853,0,556841.6468,1064251.824,648054.5567,1649924.644,484407.283,261256.1102,1030292.028,639612.4616,178531.4991,2827276.78,81906.14363,73226.429,243936.2842,21119402.44,1437472.952,30694,85808,264465,262118,232.0088013,85808,232.0088013,true,true,"Tris(1,3-dichloroisopropyl)phosphate","13674-87-8","C9 H15 Cl6 O4 P",77.3,99.5,98.7,874,875,100,0,false,false,"gc-orbitrap contaminants library-2017-09-18",791,2325,"SemiStandardNonPolar",14,0.6,true,true,"1-Propanol, 2,3-dichloro-, phosphate (3:1)","78-43-3","C9 H15 Cl6 O4 P",75.6,99.5,100,787,790,100,0,false,false,"w11n17main2",309663,0,"None",0,0,"Tris(1,3-dichloroisopropyl)phosphate","13674-87-8","High","13674-87-8","CAS-RN","DTXSID9026261","Tris(1,3-dichloro-2-propyl) phosphate","ASLWPAWFJZFCKF-UHFFFAOYSA-N","Tris(1,3-dichloropropan-2-yl) phosphate","1.75E-07","Y","-",160,"ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl",46,"Y",14.9279,373.105,1.87932e-08,1.55,0.546,1.27938e-06,214.568,12.516,0.601,0.00452898,44.761,133.074,"-",8.57038,1.63682E-5,8.81049e-05,2.32768E-11,12.0292,4.076,313.296,9.1524e-07,0.302002,10.2681,344.97,3.65041,26.9153,5.25882e-06,1.65103E-5,"Y","Y","-","-","-","Y",3]
[3915752.4466901324,3916,false,0,"Benzo[b]naphtho[2,3-d]furan",218.07323,23.137,10148872,189.0699,589024400,3824834,"C16 H10 O",218.07262,218.07268,89.5,81.5,85.9,843,870,2134,0,0,0,4468.698451,1210725.483,636706.838,616558.6212,10509997.08,11893857.8,4944313.067,1470545.78,4373477.542,3018017.967,2447316.452,804675.9004,1304609.458,1122095.012,419220.2315,3057266.41,1336696.633,3164537.859,4186087.532,4223797.116,264811.8028,7234840.527,7967286.402,2032983.831,1111723.521,15760899.7,3766844.147,1642986.022,4464484.69,9143762.774,3666104.046,605155.5824,2240150.141,507845.8264,1245879.768,89541.40462,7174429.935,4211186.744,805421.347,1509078.306,10958872.03,1616478.805,315350.9485,2733027.186,4509390.763,5111164.898,483224.5131,1764532.627,3593625.259,5148531.133,2308725.317,3138676.096,9408366.071,17790633.17,3415271.43,0,5323831.294,2058827.664,1562983.544,1072857.602,1319212.509,3413837.503,1566421.112,2646078.471,9592438.077,1656898.727,1370658.572,453625.6728,161490.2908,2171574.966,15166517.93,1159896.466,7151624.158,397280.6283,1056906.582,377963.039,715561.1747,6442059.736,6191207.719,3472287.07,3789011.144,1428995.822,5039526.748,1383036.558,191342.7755,3370948.668,1030494.047,937617.0449,5239182.821,1898801.94,5187050.759,824368.9703,8841392.066,1587837.096,4928089.435,4584254.23,2094260.846,2375649.91,2209674.57,30924548.66,2538517.894,2027941.687,2324110.258,6725273.534,181643.4623,26548084.96,2013897.104,7786187.265,894547.1761,89319.74877,2240150.141,583906.4806,3407472.323,10782834.43,11495507.46,12407029.99,164846.0715,3625035.482,3942125.041,543537.5297,112853.6173,9518067.162,3997102.583,1261315.199,7091798.93,874282.4042,1029132.559,2767121.744,5189803.04,115907.1424,11667897.78,674762.6194,11688733,7662842.34,373614.9979,2267843.219,2737852.589,3647394.452,2297295.545,1027846.335,28741295.82,95629.48143,2149273.048,2212457.064,1183934.405,242923.3191,1443995.307,19490.62849,2382866.711,1331572.444,1698253.101,601578.6608,498859.75,1072864,2187105.75,1871704.62,121.8689817,1072864,121.8689817,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Benzo[b]naphtho[2,3-d]furan","243-42-5","C16 H10 O",89.5,81.5,85.9,843,870,100,0.28,true,true,"w11n17main1",250878,0,"None",0,0,"Benzo[b]naphtho[2,3-d]furan","243-42-5","Medium","243-42-5","CAS-RN","DTXSID60179029","Benzo(b)naphtho(2,3-d)furan","FTMRMQALUDDFQO-UHFFFAOYSA-N","Benzo[b]naphtho[2,3-d]furan","3.60E-06","Y","-",18,"O1C2=CC=CC=C2C2=CC3=CC=CC=C3C=C12","-","-",422.669,389.519,4.67735e-06,1.272,0.232,1.16145e-06,176.797,114.127,0.592,0.00277332,"-","-",1.28233E-5,"-",1.44877e-07,1.08893e-06,3.46295e-11,792.112,28.0468,372.106,8.11933e-05,3.05078,8.8637,109402,5.05054,131.299,2.90206E-7,6.01958e-06,"-","-","-","-","-","-",0]
[7321083.654535428,2898,false,0,"Benzene, 1,4-diethoxy-",166.09926,10.965,8459866,109.02852,1122964553,7291978,"C10 H14 O2",166.09883,166.09871,89.2,93.8,97.3,582,784,1344,87,9515.492618,0,0,6033948.411,4866107.4,8048168.619,8741505.202,923041.8858,6460617.536,4145247.137,6885215.017,894750.2696,4279314.573,2816758.56,10243413.5,6060382.693,5614908.052,6842404.042,9069801.058,66834.29269,6548584.966,7450288.336,7565410.36,4706576.021,7121087.625,4632199.282,6586532.343,14452566.19,6493393.901,2791609.863,10432318.69,3448813.707,5505049.244,3679786.831,19979932.75,6260500.114,4524387.238,8008953.126,22470787.86,5260677.91,5012802.465,2014557.646,10990554.65,10195637.33,3942045.253,7124610.153,22214730.53,6700890.584,7451538.464,6856787.928,15781323.84,4180126.616,10161313.24,4018025.612,19215853.28,6864404.893,9724443.632,3176189.874,5706514.719,81676.57096,7431643.111,5388228.752,16521642.2,591968.5586,3922330.058,2734614.212,7941739.22,3173921.149,4710269.326,5820109.644,7487909.965,4631649.954,11276032.83,11913401.61,7829213.221,6569828.538,5463410.674,2971003.695,9143044.437,5872977.893,347070.6564,8470970.863,10655153.94,7719728.911,8385457.97,4878055.222,27482718.96,5916242.745,4795475.816,5587370.745,11160161.77,3761595.936,6067439.077,6864616.23,6260500.114,9805086.335,7493457.438,16910807.14,12355198.19,3356248.648,6090783.515,7252758.933,2137981.492,3848466.743,8402805.493,2776016.238,7413756.291,9553641.462,4150277.907,8803958.839,4319994.506,5627936.011,5364643.494,5346412.352,6888551.805,14469896.52,13165091.53,6737415.441,3852634.214,8005887.883,8128466.743,5657738.831,3022540.787,3246837.149,20128166.12,5525663.516,20763668.29,6178663.125,4161953.971,11606941.36,2098200.068,6340845.214,7375818.913,3245162.359,13045514.38,23674966.44,1479460.139,5840925.729,5530845.683,8384749.087,10177846.86,16117294.72,4835363.067,9854849.05,6180155.015,289824.7688,10630158.55,6755522.541,2686259.419,3314703.807,2767969.096,5706504.991,11507637.42,4019306.318,1503740,2056680,2938845.5,2443110.669,69.48433874,2056680,69.48433874,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Benzene, 1,4-diethoxy-","122-95-2","C10 H14 O2",89.2,93.8,97.3,582,784,100,-0.74,true,true,"w11n17main1",97454,1257,"UnspecifiedColumnType",87,6.5,"Benzene, 1,4-diethoxy-","122-95-2","Medium","122-95-2","CAS-RN","DTXSID9059549","Benzene, 1,4-diethoxy-","VWGNFIQXBYRDCH-UHFFFAOYSA-N","1,4-Diethoxybenzene","9.28E-06","Y","-",31,"CCOC1=CC=C(OCC)C=C1","-","-",23.4423,231.275,7.19449e-05,0.98,0.643,0.000187499,86.304,26.708,0.587,0.0165959,32.771,139.884,3.26588E-4,2.69774,0.0448745,0.0172982,4.05879e-11,15.2762,3.816,245.81,3.86577e-05,0.715051,5.55344,1346.67,2.88054,71.0604,0.0185745,3.15359E-3,"-","-","-","-","-","-",0]
[3217358.8123198017,4292,false,0,"Phenanthrene, 9-ethyl-",206.10948,21.349,2122013,206.10893,461800642,2998705,"C16 H14",206.109,206.10893,77.6,61.2,85.5,654,744,1997,2,0,0,16018.06542,2134999.564,598938.8091,1925708.367,5904268.926,8040534.124,5466156.602,3525582.274,4799705.631,5174606.154,2409271.654,1246237.443,650081.6315,1993185.566,538419.1034,3467551.883,1189570.581,4096823.965,1212100.274,4458019.274,1165083,2054733.163,1953370.522,813886.9031,1048644.625,25557519.89,4321239.8,1185736.657,2154742.093,8119202.805,143778.3348,1169227.738,2023959.364,813921.2878,2094359.325,1307304.54,7810481.167,15918463.26,826369.839,593093.229,26520519.87,5937533.426,96038.62729,1776045.981,5772669.225,2540353.395,92870.9552,1063545.852,289673.9534,5928268.499,539257.3222,1267226.879,1303673.397,7598328.712,25588842.32,386317.8644,5277158.27,2521113.664,1076798.067,1013466.309,1975066.193,3014251.874,2154990.487,2072852.536,4700124.521,1342334.477,1186905.103,490074.1485,2351084.591,4373986.473,13847802.57,1124716.996,2705821.067,236627.7752,1527948.221,208123.8179,561595.3531,3362786.406,6704402.974,3325739.19,2515305.744,1310349.513,1730792.794,684094.9748,0,3575548.559,722014.356,897498.0374,4306185.461,2116131.41,3573282.25,1217001.366,2023959.364,2299900.664,2487482.34,3162928.339,1241184.139,1646192.732,986617.5033,4482012.723,2759042.99,1035815.571,2499738.909,1908595.643,2810685.764,14020808.51,285046.1801,2531506.88,872951.8619,2423503.708,1828356.409,849998.0493,0,7929345.05,6679007.823,7901219.082,584888.6056,3099886.549,2037702.056,385529.8979,1406452.152,4101539.995,2056202.161,1528573.346,12751757.11,1482656.187,537476.7472,3212082.941,6845192.75,2500708.619,0,1070401.068,10773749.07,3173895.512,266714.1239,963295.1943,3366831.283,3566984.317,2431995.162,2010216.673,5134018.409,926559.7587,3875216.914,3768418.521,1816802.598,2690390.217,560366.9977,218465.2339,1167966.49,1779981.751,1730964.158,919376.6614,143757.75,282046.5,497759.75,426591.0473,123.4684433,282046.5,123.4684433,true,true,"Phenanthrene, 9-ethyl-","3674-75-7","C16 H14",77.6,61.2,85.5,654,744,100,-0.34,true,true,"w11n17main1",211878,1995,"UnspecifiedColumnType",2,0.1,true,false,"Anthracene, 2-ethyl-","52251-71-5","C16 H14",75.9,61.2,92.1,571,639,100,-0.34,true,true,"w11n17_w11rep",16148,0,"None",0,0,"Phenanthrene, 9-ethyl-","3674-75-7","High","3674-75-7","CAS-RN","DTXSID90190202","Phenanthrene, 9-ethyl- (8CI)(9CI)","ZWANHXINCHPSIK-UHFFFAOYSA-N","9-Ethylphenanthrene","2.15E-06","Y","-",17,"CCC1=CC2=CC=CC=C2C2=CC=CC=C12","-","-",457.088,360.444,1.88365E-6,1.084,0.789,8.55067e-07,164.171,81.682,0.578,0.00753356,37.582,123.678,2.43781E-5,"-",1.27644e-05,1.93197e-06,3.10407E-11,1661.92,26.9645,355.763,3.20212e-05,1.95003,7.92675,16536.6,5.42612,108.293,5.98791e-06,2.21117e-07,"-","-","-","-","-","-",0]
[174160029.93138877,332,false,0,"4-methoxy-2,3-dihydro-1H-indene",148.08877,8.341,51662769,148.08823,26028861492,169018581,"C10 H12 O",148.08827,148.08823,90.5,88.5,100,756,845,1202,34,12579418.03,13018481.19,8070098.542,308962878.8,82067450.93,123105839.7,87066266.97,122161968.8,26573529.75,376065946.4,73573633.45,58386021.59,67436821.3,126165174.4,286864234.8,64404139.3,99537964.94,64386200.67,602331378.1,12218208.59,72534963.52,158845425.7,208454492.4,42076786.44,74221568.24,171319574.5,251308255.9,934978354.8,64606754.93,48624777.39,112504909.1,112313503.6,31248795.16,256501676.7,119126015.7,797972349.7,246184.4202,58198755.32,739128293.7,36265036.07,254497.5197,93302115.95,109152104.8,94615469,149781.6348,47718066.17,185548744,77429529.38,815704597.5,84463263.57,255201715.1,87525505.97,76133401.21,44652510.94,28828242.07,115932142.9,77555033.19,99078725.93,2177258011,38480698.82,439209181.3,264562411.3,278815058.9,118576151.6,110288728,85775912.06,151244228.7,86788202.69,81462213.77,76770571.16,235133327.1,63570545.66,95144319.28,57905719.73,116384824.2,130703364.6,169316130.7,101959097.5,222702511.9,61234012.15,75731123.75,103488341.5,97416732.52,66819792.73,50330790.8,67470575.99,94666529.82,122606182.5,63330409.18,89320485.25,74325081.69,134608188.8,164000185.6,96511319.33,93302115.95,69782716.74,32281074.38,91184873.66,400117881.1,66706623.87,113156364.7,140407563.1,36853351.81,273111916.4,51703461.76,75657152.7,147007438.9,60792055.35,349020645.4,107649821,63337606.87,121629322.2,80587476.2,60657729.65,147101170.1,158355897.8,70712815.44,80631725.24,51668323.25,3455336680,230097835.4,83379953.81,66824966.41,1475140.142,56512726.57,62124682.48,169604934,48679584.02,43001402.31,387702605,125309221.7,102848551.3,156295783.4,182662272,47030159.03,44909713.68,112416777.4,59030404.77,244411918.9,75574334.21,102796107.3,756494.633,117085391.7,262260118.6,387793711.2,124119962.4,83808124.57,280421356.1,166178714.2,214839881.8,45511437.51,43618290.18,81612224.9,59775394.25,1849329.5,2616971,4257406,4828625.503,184.1206667,2616971,184.1206667,true,true,"4-o-(Methoxyphenyl)cyclopropane","4030-17-5","C10 H12 O",87.9,88.5,100,626,787,100,-0.27,true,true,"w11n17main1",59383,1184,"UnspecifiedColumnType",18,1.5,true,true,"4-methoxy-2,3-dihydro-1H-indene",0,"C10 H12 O",90.5,88.5,100,756,845,100,-0.27,true,true,"w11n17main1",59394,1236,"UnspecifiedColumnType",34,2.8,"4-o-(Methoxyphenyl)cyclopropane","4030-17-5","High","4030-17-5","CAS-RN","DTXSID90193314","4-Cyclopropylanisole","OYPPRNFDAGPGBZ-UHFFFAOYSA-N","1-Cyclopropyl-4-methoxybenzene","5.55E-06","Y","-",8,"COC1=CC=C(C=C1)C1CC1","-","-",65.7658,210.983,7.12853E-5,1.063,0.649,4.32514e-05,78.457,20.336,0.577,0.0138038,32.857,129.797,0.000446684,3.95367,0.0439542,0.00603949,4.2013e-11,27.3461,3.55102,226.468,9.77745e-06,2.87268,5.07468,2325.75,3.0063,6.65763,0.0585153,1.66858E-3,"-","-","-","-","-","-",0]
[4080950.923647549,3983,false,0,"Triethyl phosphate",153.03169,7,6724464,155.04677,564426845,3665109,"C6 H15 O4 P",182.07025,0,76.5,99.9,100,824,871,1123,9,1062919.048,583756.5697,614611.67,2318920.726,10291346.33,2591919.776,699629.4356,425981.7265,1098259.364,2609584.929,1718745.166,1700791.72,1738435.577,3423616.232,3874679.449,15787169.35,7767528.563,714447.6954,8838046.934,450529.8749,1503029.934,1396022.782,24416102.96,1700813.342,1747480.77,4754362.273,22153197.56,573917.3595,593199.3449,1244534.126,4838128.288,223786.2957,4152721.737,2033200.748,3031900.745,2990691.982,6051324.911,1355354.882,10836341.55,679645.9037,2582609.696,1329767.501,3177480.129,1600038.987,3038650.887,15747.70033,3489272.826,254304.7507,4562213.334,4479524.459,45309155.64,279015.3356,212303.6684,582236.6762,4924228.587,1087704.65,2935959.631,1823209.161,1283353.73,225194.6449,2243192.335,10033364.92,10113468.69,3523701.756,1043419.135,3477978.534,23574844.93,394308.3582,176837.9311,1314706.796,7322669.059,360688.1386,2412205.608,9661706.409,10218677.45,2894616.916,3514529.288,1650119.258,14339182.51,325722.7032,82442.22755,2805229.207,1973125.223,495246.6062,422953.3609,2037879.745,4130039.509,938084.1842,6340765.307,1268257.715,20457573.76,815231.6054,30958.0467,11419235.73,13346009.07,257612.5667,1340681.778,3705954.427,6768589.327,2033200.748,3269937.598,3833032.707,211263.7222,0,526198.5684,978689.2402,18425976.28,388423.6999,1375384.847,6424850.355,1777334.439,6117347.752,3886114.074,1372996.673,7019824.934,2008752.978,1203046.549,5223245.904,1584947.168,2449669.957,12151063.9,2331359.098,1981841.699,4534008.379,1640532.212,1957240.67,3078914.801,392478.3801,574573.681,3763594.267,488521.1635,2249095.503,1837016.902,1489060.482,4213496.809,9799420.584,1664213.684,1427396.134,3806174.937,450484.3614,2861947.228,18353458.03,2297508.558,2057648.518,2873708.495,1225019.458,1446000.166,3285199.6,1701733.944,1792273.566,6218055.011,1993023.986,6288835.477,1139279.136,260687.25,654362,1314093.5,1196415.96,138.3587896,654362,138.3587896,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Triethyl phosphate","78-40-0","C6 H15 O4 P",76.5,99.9,100,824,871,100,0,true,false,"w11n17main1",136230,1132,"SemiStandardNonPolar",9,0.8,"Triethyl phosphate","78-40-0","Medium","78-40-0","CAS-RN","DTXSID8026228","Triethyl phosphate","DQWPFSLDHJDLRL-UHFFFAOYSA-N","Triethyl phosphate","2.05E-05","Y","-",159,"CCOP(=O)(OCC)OCC",128,"Y",4.13048,209.605,2.38232e-07,1.039,0.706,3.68978E-4,88.548,-41.107,0.563,0.000899498,28.959,140.093,0.00493174,2.51768,0.0889201,0.92045,5.5184e-11,1.28887,4.90451,215.446,3.61967E-8,0.0813037,5.78968,60.5996,0.800133,-56.38,0.391431,2.69531,"Y","-","-","-","-","-",1]
[702061.526997066,5879,false,0,"3-Ethyl-2-methylphenol",136.08887,9.468,10547993,136.08832,107054212,695157,"C9 H12 O",136.08827,136.08832,98.9,98.9,100,964,973,1263,36,0,2886.974053,7163.231003,300492.471,811458.2806,345130.5066,1110993.523,1356329.864,278770.294,606648.4064,230600.6788,1168941.434,927937.8969,226947.8829,352973.1464,456949.5467,719688.3066,414046.5892,2615.662776,1005052.658,342830.6585,1142667.395,359783.5451,566421.448,398175.952,319212.5064,1220315.943,558832.5296,388644.297,0,574431.0686,5380773.109,435498.068,0,476030.3956,772084.8299,116342.7167,2367.480524,437042.2101,980188.9696,125754.9949,164885.5047,212787.0682,567014.9014,95650.09012,798728.0405,2519.963077,865265.892,24907.44761,279392.9131,2522379.422,2217437.285,576840.0385,2770.139074,889317.7937,657416.7797,455799.1967,1130.45945,910010.9893,239946.7862,1167315.136,198336.8235,4612.853323,5701787.291,494036.9176,769127.8304,593108.9462,292140.6871,393142.7115,120267.91,415196.9392,404245.2049,412183.5767,143586.7323,3731.824466,1022897.972,282345.8822,498280.668,262883.3643,906210.974,1765033.625,382244.8768,556806.7934,653400.8925,415306.6468,902002.559,934321.8089,3639404.339,156585.24,2747.404576,28842.1411,792619.8122,805536.6187,312387.9102,402184.7862,435498.068,7037.520876,3897.629932,378464.1917,370825.9264,714329.9957,1166419.824,529159.7332,306443.7442,608075.1249,467319.9015,65880.03835,4439672.029,303737.9912,564171.1192,431576.4082,475398.7127,1483237.223,428781.7451,348915.725,6190526.11,165638.0261,3934.03639,466415.7127,2397083.603,2996.049029,4446.754896,883729.0448,2134055.415,992893.7629,1954759.67,18642.34906,354434.6366,582607.5493,6498.826862,594521.0669,3717.209171,7043.88976,1625897.468,2703254.417,1110179.319,790839.5455,712333.717,27559.81766,938347.941,461205.8697,157297.9648,968436.6109,221230.8479,4147.269787,852765.8784,277075.2371,8274.174588,181055.5195,542820.3536,159191.9086,409790.2662,1025359.147,309399.2639,295870,634932,1131360,1040432.396,151.1822126,634932,151.1822126,true,false,"Benzenemethanol, 3,5-dimethyl-","27129-87-9","C9 H12 O",98.7,98.9,100,955,964,100,0.38,true,true,"w11n17main1",39747,1263,"UnspecifiedColumnType",0,0,true,true,"3-Ethyl-2-methylphenol",0,"C9 H12 O",98.9,98.9,100,964,973,100,0.38,true,true,"w11n17main1",39749,1227,"UnspecifiedColumnType",36,2.9,"Benzenemethanol, 3,5-dimethyl-","27129-87-9","High","27129-87-9","CAS-RN","DTXSID30181593","3,5-Dimethylbenzyl alcohol","IQWWTJDRVBWBEL-UHFFFAOYSA-N","(3,5-Dimethylphenyl)methanol","9.99E-06","Y","-",20,"CC1=CC(CO)=CC(C)=C1","-","-",10.6905,228.42,1.09901E-4,1,0.456,2.44343E-4,103.264,46.883,0.563,0.00905733,36.347,146.118,1.56675E-3,4.67735,0.0245471,0.0302691,2.18721e-11,4.85923,4.52389,220.541,6.9381e-07,0.0907939,6.64734,38.1656,1.86756,36.7898,0.028889,0.0666224,"-","-","-","-","-","-",0]
[113822291.5453179,438,false,0,"(Furan-2-yl)methanol",98.03677,10.833,60081638,97.06483,17258521395,112068321,"C5 H6 O2",98.03623,98.03622,73.3,48.1,48.6,702,709,1337,0,211385.9865,335326.3295,338923.8666,116190544,51172758.39,105827433.7,125672750.6,165968698.9,99979013.47,77025720.85,61131477.14,192785978.2,60697153.59,53820160.86,119356356.1,7938361.369,41227705.44,87608702.43,279850139.6,673094606.1,94353510.52,98814046.55,19393436.07,86513564.78,104389432.4,63954934.87,59218827.78,214588596.4,145818848.3,43450672.08,136616892,38960434.46,84627774.23,86820340.42,287579647.5,56777542.93,70852929.1,100121784.8,322400087.7,90981106.47,87209285.61,31033522.07,182144861.4,168733212.5,51329712.68,93586571.18,471169043.8,118884408.1,59088403.28,87622593.23,114700412.2,80805962.06,115471739.7,83915066.54,182210636.5,89256087.51,105231801.7,107487579.9,98997927.22,24759475.99,99793992.99,53790408.23,200010378.8,89957186.09,5187422.245,92005026.86,188893267.8,68772398.1,68484649.58,89673273.42,130712154.9,65323903.51,167974739.5,195656894.6,250390099.5,71392314.95,6353831.339,49112306.9,145349860.5,94070654.76,79978280.64,81141849.03,194348306.7,126419384,111643825.5,47145311.2,500075094.1,84686386.15,104384852.2,97723979.67,123069429.7,60652555.32,80094059.05,90981106.47,95395275.67,97357126.36,90774326.17,177494613.9,153355171,64587330.34,69016986.14,99628389.66,41145321.12,76477996.87,142746532,49860809.33,72756662.84,141787671.5,69572906.05,142982883.3,64662824.99,98215829.12,81997355.49,76774428.37,118597521.7,189088075.5,187007989.8,94542015.63,54306521.46,100238494,155137781.9,50489177,71272487.16,60393999.12,144266577.9,61141077.89,215180463.3,90698818.37,87607179.01,126560665.2,0,91263394.58,83060498.32,31033992.4,149168283.5,653187178.8,23594264.98,70746961.95,75791151.57,59483356.21,81066146.54,253455590.5,68297109.33,145126961.1,98549255.39,102793736.5,125428392.6,111079724.9,25458841.75,65238378.48,25698083.52,113320287.2,177295835.3,49439855.19,6729462.25,9649042,13838869.25,12184557.07,84.74740574,9649042,84.74740574,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(Furan-2-yl)methanol","98-00-0","C5 H6 O2",73.3,48.1,48.6,702,709,100,-0.07,true,true,"w11n17_w11rep",2064,0,"None",0,0,"(Furan-2-yl)methanol","98-00-0","Low","98-00-0","CAS-RN","DTXSID2025347","Furfuryl alcohol","XPFVYQJUAUNWIW-UHFFFAOYSA-N","(Furan-2-yl)methanol","4.02E-07","Y","-",146,"OCC1=CC=CO1",82,"Y",4.61318,150.944,1.52757E-3,1.138,0.514,0.00233346,57.363,20.304,0.558,0.00247742,34.646,184.842,0.0149624,4.98884,5.86138,1.57761,5.61007e-11,5.26055,4.44606,171.004,1.76634e-07,0.271717,4.26735,12.1871,0.279294,-14.5966,0.607437,10.1981,"-","Y","-","-","-","Y",2]
[2386208.7314768215,4570,false,0,"1-(2,5-Dimethoxyphenyl)-2-aminopropane",191.17976,13.129,5187571,137.071,384558146,2497131,"C11 H17 N O2",195.12538,0,37.4,25,7.6,620,751,1465,85,2647.513598,3237.356576,38695.73332,1280317.803,2583196.134,1246577.908,4832881.209,3465204.702,8540431.092,703107.3034,1049340.33,3508343.695,0,1252107.054,723721.6438,23269.04771,1900003.62,853031.002,2572106.453,6611427.485,2953976.235,7887135.425,957999.5642,5687445.843,574412.2947,805587.0774,1684443.18,3074577.97,2465431.096,199200.0917,3125517.115,1272284.728,6731097.98,4365945.661,3608914.004,1416532.168,34109.89599,1071115.5,3173028.262,4131117.933,1346899.308,260701.2678,2770032.336,223405.4264,1239967.335,1482380.492,1934101.008,2541145.299,340811.034,4084020.233,165199.6301,4040139.282,6458340.109,799817.9885,6473106.225,4840735.384,97872.22029,620091.8598,953603.573,17901.75819,41173.01322,2576472.157,2248113.512,5234051.028,322460.9589,1030659.975,320294.0938,4025362.86,377395.2402,249243.5924,3219997.594,2261356.897,2245077.938,3122915.732,1557273.361,657081.3485,10432.43958,280873.5544,1258807.712,2821991.377,277788.9968,1609044.99,3000401.622,1776606.345,2107849.242,60500.62053,1999652.092,2621511.604,793305.3871,1283486.525,10249561.32,939646.5863,288179.0855,882343.4591,2892985.61,862017.3775,792103.092,3168694.707,3188164.359,517283.3642,1066840.471,501735.8764,2428398.536,1482380.492,7622184.112,71109.52221,3135392.779,8546179.686,1231898.417,6544170.061,343623.4785,519215.036,3431289.14,589804.5832,1780600.164,752819.5059,1299406.95,472055.9388,2578637.785,814809.6519,1665354.033,3893676.643,389572.0721,2061608.044,2452157.365,663275.017,21123113.74,4666786.276,694864.5829,575640.2349,5992118.821,2212149.142,1026306.642,751255.9079,5261446.215,8957177.05,321425.259,3226435.624,1279564.728,2414402.988,956441.4995,9705517.499,1727299.389,600042.9507,3455649.32,755050.8906,3463919.287,1812356.677,439981.8204,417692.405,13665.19508,10620368.92,1281278.985,0,185431,445092,1032119,761269.2081,110.3986963,445092,110.3986963,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-(2,5-Dimethoxyphenyl)-2-aminopropane","2801-68-5","C11 H17 N O2",37.4,25,7.6,620,751,75,0,true,false,"w11n17main1",175441,1550,"UnspecifiedColumnType",85,5.8,"1-(2,5-Dimethoxyphenyl)-2-aminopropane","2801-68-5","Low","2801-68-5","CAS-RN","DTXSID2091540","(+/-) -1-(2,5-Dimethoxyphenyl)-2-aminopropane","LATVFYDIBMDBSY-UHFFFAOYSA-N","1-(2,5-Dimethoxyphenyl)propan-2-amine","1.19E-06","Y","-",48,"COC1=CC=C(OC)C(CC(C)N)=C1","-","-",21.0863,294.101,2.32809e-05,1.024,0.674,2.79898E-4,118.259,60.453,0.557,0.00260016,32.496,151.172,0.000576766,5.92925,0.000961612,0.00756833,1.4347e-11,8.41446,3.54205,272.693,3.39247E-9,0.28107,8.63474,253.786,1.72127,96.8065,8.79581e-05,0.00227754,"-","-","-","-","-","-",0]
[1546924.9643314884,4843,false,0,"1H-Pyrrole-2-carboxaldehyde",95.03718,5.414,9123969,94.0288,316061599,2052348,"C5 H5 N O",95.03657,95.03664,93.6,90.6,100,866,943,1003,15,7623.390482,16993.80795,9289.962278,203347.4613,6581.849909,8093.656159,1125658.291,380593.7185,766316.0698,13027.48032,361308.5112,481259.0901,683603.0051,23078.21937,47904.69357,342784.3335,3866.876055,14251.57258,8266.703047,663657.8341,718545.5032,0,7716.803141,666391.0124,505439.2018,2058.985951,34868.63414,709970.028,6239040.641,60544.39168,68889.02634,4526808.074,6310691.909,0,6296292.162,0,55830.66972,49403.84652,117685.4761,7363614.839,2398643.414,0,10510572.39,6369318.489,44621.43889,125626.0775,561494.1076,295168.2543,199780.8216,5755.522009,7404.600041,648903.9911,1555010.459,4443.627698,215331.5982,119258.5609,474031.8791,0,14294.14323,947151.3495,3596.792311,1883.563316,20186.50167,274865.5413,171361.3759,0,4401.16858,358457.4468,266067.258,739.7274598,2926.12315,131993.594,192251.0897,3889290.474,0,0,42828.97177,0,43995.59915,11800769.41,343937.728,198609.952,125626.0775,4314435.127,6657525.413,43786.60937,4985329.467,3003602.942,1594440.602,0,5680107.159,2391504.393,854975.3227,13419.93026,87233.26203,2823295.85,39017.92706,52166.63503,5594784.528,50628.47027,9612.600928,0,7323835.91,29465.70096,7047083.287,39343.95112,40054.51636,8840736.66,27705.54261,202268.6664,55451.02549,997752.4945,87042.84912,0,73443.56935,303204.8607,129343.1898,121908.9651,23991.05005,0,50843.96861,133962.9279,40151.44663,275848.1142,8355116.141,0,98778.68678,14531773.86,71534.07761,0,8937297.903,39751.85903,130680.9396,66461.05241,0,729122.5998,0,68984.92983,570165.7044,11895247.49,189892.5569,0,4070199.306,26655.49386,61602.82529,11083059.63,29678.46093,136545.243,191650.4264,18024.08579,7482142.005,6751915.406,6472567.347,6299526.962,47141,217764,3864770,2274103.09,147.50574,217764,147.50574,true,true,"1H-Pyrrole-2-carboxaldehyde","1003-29-8","C5 H5 N O",93.6,90.6,100,866,943,100,0.75,true,true,"w11n17main1",6197,988,"UnspecifiedColumnType",15,1.5,true,false,"1H-Pyrrole-2-carboxaldehyde","1003-29-8","C5 H5 N O",93.2,90.6,100,845,918,100,0.75,true,true,"w11n17_w11rep",1905,0,"None",0,0,"1H-Pyrrole-2-carboxaldehyde","1003-29-8","High","1003-29-8","CAS-RN","DTXSID3061392","1H-Pyrrole-2-carboxaldehyde","ZSKGQVFRTSEPJT-UHFFFAOYSA-N","1H-Pyrrole-2-carbaldehyde","6.82E-06","Y","-",44,"O=CC1=CC=CN1","-","-","-",204.202,0.000195884,1.271,0.567,5.44503E-4,132.438,67.519,0.555,0,"-","-",0.00476431,2.12814,0.0203236,0.165577,3.25588e-11,2.38474,3.55967,217.939,3.24416e-07,0.283233,5.75881,13.0666,0.635302,46.5773,0.0689495,1.06549,"-","-","-","-","-","-",0]
[594675.7342212647,5971,false,0,"Pyridine, 2-ethyl-3,5-dimethyl-",135.10492,6.214,83425,211.01534,82830896,537863,"C9 H13 N",135.10425,135.10437,71.5,51.4,70,547,700,1068,45,0,23588.43416,9188.880767,260262.8947,58324.42216,13490.90614,255732.7135,5234567.9,3453562.372,84349.71525,58121.82608,10780.76843,2152274.468,1366394.312,173262.8242,73452.70317,79301.4195,8329.687989,15583.29188,218142.8376,1747321.439,29462.78395,116004.5224,20455.56153,1732727.879,27838.69407,95970.75922,10839.16256,276971.1572,35347.41682,75969.06217,2939649.706,2596901.978,2261765.988,104036.9757,50796.33817,30399.4904,73192.52792,49155.92851,113010.2835,241570.3454,90160.23723,128420.6419,111292.7479,22577.13909,59535.30175,58205.27297,36859.24175,96628.65228,5291.388452,0,4452241.726,312670.5761,121364.5201,0,205537.6154,250008.2958,88949.20765,33589.72343,78703.84504,16873.33015,0,63658.82953,114454.0662,91371.26682,145624.346,32828.57956,206785.2636,190652.1524,3931.26883,13249432.66,177155.5807,58431.74965,63938.75733,188374.6622,120147.3956,64336.28162,9564.347988,61784.78061,233348.9184,140522.6759,5200.222635,178501.3688,444110.2475,88496.6845,19735.7847,180236.2166,58630.51179,97546.84346,23983.24532,197208.7754,6848.652162,68875.40408,8682.881085,181761.5,259002.1978,16793.24078,90160.23723,105162.4582,284687.8841,1815076.462,21086.07101,927402.5629,114165.0871,7475.18501,105832.2003,396552.0834,5872304.421,66282.85437,76300.89855,14967.65368,92897.53764,34120.1147,15090.7998,193034.9576,62815.20947,26442.96449,74811.99266,325164.1828,22805450.28,201193.0336,30670.15154,65600.41215,1023413.837,17521.09773,136929.2554,94821.99492,147622.3266,102861.5516,56922.16833,688168.9326,39065.26601,27819.10482,57732.04996,520720.967,65258.02317,59378.15084,26140.08193,557751.6524,275208.3134,77129.70269,50548.46573,13886.507,85498.47955,113258.3247,33942.60008,377128.2953,133788.4949,171806.8407,320732.8793,38123.69631,1087236.46,19674.19768,185008.5698,9873.25,29456,77340,179300.4865,330.0902401,29456,330.0902401,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Pyridine, 2-ethyl-3,5-dimethyl-","1123-96-2","C9 H13 N",71.5,51.4,70,547,700,100,0.88,true,true,"w11n17main1",38295,1113,"UnspecifiedColumnType",45,4.2,"Pyridine, 2-ethyl-3,5-dimethyl-","1123-96-2","Low","1123-96-2","CAS-RN","DTXSID30149991","2-Ethyl-3,5-dimethylpyridine","QLUUXTUCKOZMEL-UHFFFAOYSA-N","2-Ethyl-3,5-dimethylpyridine","3.26E-06","Y","-",20,"CCC1=C(C)C=C(C)C=N1","-","-",18.5353,188.922,8.79022E-5,0.932,0.666,2.70396E-4,66.47,-6.639,0.546,0.00632412,31.2,130.217,8.70964E-4,1.6788,0.76913,0.0256448,5.99791e-11,6.10199,3.36028,197.919,9.75643e-06,1.01857,4.81618,315.228,2.58246,54.0788,0.62026,0.16969,"-","-","-","-","-","-",0]
[25503131.80707483,1320,false,0,"Phenol, 2,6-dimethoxy-",154.06297,11.071,237352001,154.06242,4158499915,27003246,"C8 H10 O3",154.06245,154.06242,96.1,96.5,99.4,872,897,1350,5,49645.16671,0,0,2916663.836,30449088.77,48077296.23,19854096.19,28170786.55,14574105.01,15054943.3,3091092.623,57014218.56,707490.4923,7990981.334,9845241.822,8046791.305,7205272.254,9868327.02,7663699.663,37584406.22,36471060.2,32117540.79,4308799.481,8675968.171,13413755.89,8741191.436,17262686.55,11283311.55,73493997.43,11641041.45,9724156.117,242996413.2,63977790.53,17370830.24,12838885.63,36404534.97,11131452.47,198056.9764,12954333.05,8217089.264,9026262.33,0,5671135.659,26129933.71,5910862.738,95043259.73,9907996.804,13648920.81,4542513.137,18156718.14,179114972.5,32635185.71,50057907.33,2517308.371,12055048.04,7843969.342,31773715.23,4806229.341,7844448.047,4546856.132,50972880.04,30902170.3,13424157.27,514124000.5,4458259.028,83041812.82,11392640.54,11889442.37,4884489.9,3922697.312,8727107.144,4262770.089,15351493.67,14216943.02,19142303.35,14452232.36,9285756.622,4550288.447,8959004.722,32012210.47,30402087.37,9302441.592,7568982.558,15374282.13,12565044.97,10486976.82,4227643.316,153937211,7307008.983,11641041.45,23537245.73,12366532.89,2823042.318,5018217.86,21391812.5,4571963.278,37328917.38,0,26300327.66,11164417.88,0,21471380.67,13007497.56,10978589.51,53420559.46,4462877.957,0,1178291.059,29781848.01,43005781.29,2961613.538,22883269.13,77389246.5,178919.9339,0,32783944.57,377576.1238,10877600.54,4865167.281,71907010.72,12349805.62,6771331.17,6787655.078,51222814.96,7717722.229,25587666.43,80772270.89,20408364.36,8952646.545,12791218.67,28556293.57,21680621.66,0,100447104,47406302.67,509397.3949,19706714.48,22642990.49,0,20204510.22,3638661.429,33797664.8,11157999.66,0,66690017.18,6399589.87,21965044.58,30659073.7,3362323.201,4584403.487,10633959.58,12124083.25,8923151.017,11131829.49,1949284,3556104,7625303.5,8547971.797,256.693882,3556104,256.693882,true,true,"Phenol, 2,6-dimethoxy-","91-10-1","C8 H10 O3",96.1,96.5,99.4,872,897,100,-0.14,true,true,"w11n17main1",70494,1355,"SemiStandardNonPolar",5,0.4,true,true,"Phenol, 2,6-dimethoxy-","91-10-1","C8 H10 O3",95.1,96.5,97.6,825,832,100,-0.14,true,true,"w11n17main1",70496,1279,"UnspecifiedColumnType",71,5.3,"Phenol, 2,6-dimethoxy-","91-10-1","High","91-10-1","CAS-RN","DTXSID2052607","2,6-Dimethoxyphenol","KLIDCXVFHGNTTM-UHFFFAOYSA-N","2,6-Dimethoxyphenol","3.05E-06","Y","-",88,"COC1=CC=CC(OC)=C1O","-","Y",8.3946,240.558,9.52796e-05,1.117,0.645,0.000522396,95.157,36.005,0.544,0.00698232,36.234,151.88,0.00156315,7.8886,0.0201372,0.0419759,1.24263e-10,7.52515,3.81792,261.033,2.30764e-07,0.124973,7.18493,824.124,1.15155,56.4654,4.23757e-06,0.0184772,"-","-","-","-","-","-",0]
[740743754.2769669,96,false,0,"Benzoic acid, 2-(1-oxopropyl)-",178.06287,15.29,6013628446,76.03069,{"v":132000000000,"d":"1.32E+11"},857058473,"C10 H10 O3",178.06245,178.06232,94.2,96.7,97.5,777,784,1592,6,2706736.594,2410018.97,2440689.782,936427199.9,83514330.08,119242787.1,87541272.38,234807346.5,227176247.4,406579977,52219731042,365655127.3,68091173.14,100866784,496648600.8,214050944,119430942.6,481329195.1,384010828.2,173725572.8,582202630.8,1804394983,168766475.9,149464223,63027769.26,67597034.89,54387943.78,327101494,126611098.7,114196003.4,131891279.8,68284560.06,76848521.85,103560172.3,101515257.7,193888258.4,199701976.6,309998006.7,857054243,1382601229,173374738.2,203779289.1,449373190.5,454152260.5,127309436.6,319789696.7,172004800.2,213799275.9,194060288.8,193716227.9,1933228215,247026061.5,131446853.5,53245147.82,634553420.4,162864469.7,431155047.9,111565403.5,1115335291,69864626.07,61064227.21,292152867.1,2089063399,190915355.2,410697220.8,2600648196,2130880348,88937139,66956178.45,151972832.1,1060526815,167095075.5,155088303.6,125056443.9,961366204.5,61074694.08,732275130.3,483146885,286783910.5,60852258.94,61588842.64,1835913370,1854869073,40995026.88,440912790.3,2170160721,151426711.8,138198609.4,629556607.4,175276910.6,412318204.7,627825943.9,503481427.4,539904807.6,60952020.12,78231557.92,439539271.6,1069674795,174639109.4,193888258.4,122136835.1,779190925.1,168889889.4,230518674.7,102879069.9,58692439.04,263783498.4,477959056.4,67368478.08,6260691.506,123299864.3,0,237954318.7,268547378.6,15624527.98,117582828.4,586058510.4,0,927189091,302708490,20378817.85,563019698.1,543843734.6,0,247876497.1,167783459.1,9057054.862,565433163.8,2319181252,12683152.01,665991478.5,421576860.7,7943460.466,1542637821,106546918,0,131112468.3,142872827.8,11988384.38,63389876.27,105158056.1,6772253.821,449932510.5,393825210.3,7508796.387,429590861.8,1030342354,13723889.4,293416542,390694029,125614229,551733676.8,664566120.7,219993057.7,8004591,15652104,38665059.5,71893903.45,688.7100563,15652104,688.7100563,true,true,"Benzoic acid, 2-(1-oxopropyl)-","2360-45-4","C10 H10 O3",94.2,96.7,97.5,777,784,100,-0.72,true,true,"w11n17main1",126215,1598,"UnspecifiedColumnType",6,0.4,false,"NA","Benzoic acid, 2-(1-oxopropyl)-","2360-45-4","C10 H10 O3",94.2,96.7,97.5,777,784,100,-0.72,true,true,"w11n17main1",126215,1598,"UnspecifiedColumnType",6,0.4,"Benzoic acid, 2-(1-oxopropyl)-","2360-45-4","High","2360-45-4","CAS-RN","DTXSID00178253","2-(1-Oxopropyl)benzoic acid","JYBOOAWVGOYQFU-UHFFFAOYSA-N","2-Propanoylbenzoic acid","1.91E-06","Y","-",17,"CCC(=O)C1=CC=CC=C1C(O)=O","-","-",1.45546,307.892,0.000466659,1.3,0.763,1.59221E-4,165.394,118.089,0.543,0,"-","-",0.000241546,"-",1.54525e-05,0.00701455,1.31656E-11,3.12186,3.53814,287.563,2.26656e-09,0.0974085,8.53423,88.6867,1.44025,132.561,6.28721e-06,0.0120489,"-","-","-","-","-","-",0]
[3195899.5575352977,4168,false,0,"Acetamide, N-(4-ethoxyphenyl)-",193.12277,15.751,3807936,151.08661,498960366,3240002,"C10 H13 N O2",179.09408,0,38,19.6,18,508,790,1621,0,25438.4831,26041.97865,12237.97295,2679231.696,1219536.161,27305.04324,2951032.055,3029778.762,3957969.405,1499308.682,2089169.947,2983872.011,5033766.881,1106726.943,2034084.204,714671.9654,281541.4911,2913396.224,3153815.046,2722764.095,3138024.036,268384.2812,1423305.845,5230590.406,3084384.918,831078.0898,45490.06052,12607234.41,4199526.585,499222.3265,3352342.421,1161914.948,1707146.489,2929479.399,30386037.09,399893.6912,527655.6922,2384200.821,11766600.03,10882504.23,2446676.616,0,6989508.459,103898.9833,544494.6416,0,2635586.764,9254621.001,2837146.109,2101433.329,69741.6584,14493841.75,7018182.298,1948536.158,4417799.912,5132153.585,3424703.303,1583745.621,1656710.918,1777855.043,1407975.39,2132814.878,4736960.174,3832244.011,1262056.779,1483617.067,41515.8403,6688628.096,1896326.783,434072.8169,4233553.148,6295899.351,2030850.663,2855968.775,2666590.136,427913.0302,263791.7867,1459939.082,25980.10491,5956495.479,626358.6481,5441292.982,3259632.172,3611058.944,6780657.657,85095.42508,4702851.042,4930386.43,454791.4829,2384200.821,6725075.262,4764315.887,1853406.806,2262425.738,330563.2189,882747.7029,1556718.788,3203240.689,5179084.821,1089330.279,2518129.515,46054.72438,3914481.692,346468.5829,8743357.694,243449.3905,4569956.025,10964266.52,1436294.105,2881580.327,779394.5093,1200333.826,4541563.049,0,2735230.659,2921247.427,114046.533,1688546.683,2635687.551,1404037.53,112013.9865,8216423.132,0,8690208.879,3977809.923,15381.89911,4845845.112,10208831.22,2047545.222,841065.1906,9072573.091,2340150.111,2297091.99,3492143.253,5415539.497,9791504.625,1448331.543,3036844.207,125509.7512,5207858.022,982210.9092,4810167.891,2036176.741,1611503.694,2386605.858,2381795.785,3416250.031,28343.68979,836944.1162,386412.0808,1350571.22,5480580.987,3348090.821,4742331.649,308407,643696,1128695.5,888538.4354,108.5568919,643696,108.5568919,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Acetamide, N-(4-ethoxyphenyl)-","62-44-2","C10 H13 N O2",38,19.6,18,508,790,100,0,true,false,"w11n17_w11rep",13354,0,"None",0,0,"Acetamide, N-(4-ethoxyphenyl)-","62-44-2","Low","62-44-2","CAS-RN","DTXSID1021116","Phenacetin","CPJSUEIXXCENMM-UHFFFAOYSA-N","N-(4-Ethoxyphenyl)acetamide","4.26E-07","Y","-",139,"CCOC1=CC=C(NC(C)=O)C=C1",14,"Y",4.62381,301.004,2.46037E-4,1.111,0.521,0.00026485,150.328,98.727,0.54,0.0154525,"-",149.198,1.59588E-3,14.7231,1.13501E-5,0.0049204,1.5148E-11,30.0205,4.46348,243.758,1.13394e-09,0.281518,9.58396,84.6174,1.58029,137.005,6.98523e-07,0.00426853,"-","-","-","-","-","-",0]
[20233696.232217994,1626,false,0,"1,1'-Biphenyl, 2,2'-dimethyl-",182.10937,14.212,34659251,182.10883,2948667693,19147193,"C14 H14",182.109,182.10883,97.6,98.6,100,908,951,1528,0,378542.2796,1674468.61,413934.9128,1452404.392,38279608.1,15671272.27,17333055.4,15147911.54,9292490.006,20868381.05,15419620.89,24475360.02,16266651.51,11570254.69,31087795.92,651291.4336,20318519.83,8472404.317,14909076.32,20963041.44,13497628.5,14743820.29,28776378.5,26784134.98,20467952.04,14456690.21,49250597.36,46988459.1,22367343.24,14689340,53424718.45,425515.7692,0,14430364.05,15968961.89,32098685.68,787683.6614,11381231.76,46907772.26,28678653.28,196475.1533,15770050.08,39757206.11,117180254.7,68927.09172,22438748.82,31289977.79,22683652.77,13878758.23,7074910.718,136163070.1,24306364,111739.9422,11544190.91,36291138.61,26536714.16,12949152.13,12483419.01,29536361.05,5605314.767,290669.5245,13186493.52,25392196.84,16751851.18,15186072.6,11699812.55,24990515.75,34779696.68,13279945.69,9474123.971,23207241.15,29669933.52,10548056.4,13556784.75,15968961.89,29064904.57,14007294.05,6735405.943,21952287.6,31044242.19,17427343.89,10637196.19,21161454.36,8605530.538,9860458.377,24625851.55,26331326.35,28216618,12340579.11,26551471.11,15335198.34,23625908.17,12781765.64,21105819.02,15197157.64,25626500.21,11047695.98,16165435.1,8824911.809,11665035.98,33841207.04,29523308.95,6099461.486,8218363.353,16087573.01,10997411.91,26053272.91,25361371.28,11248657.68,19153552.7,10175542.7,8127087.159,5427728.955,30658314.39,19647116.19,19762631.5,9554303.233,18408331.46,18453570.35,16505719.47,12967677.43,21565816.19,12160207.24,19864600.72,10707458.5,10646354.93,21372967.18,9294255.732,7085679.231,19560455.34,14563127.04,12916282.7,21217150.64,16943526.87,9492862.636,11449610.24,6060334.698,6557024.532,15975054.79,18965998.99,10453660.23,14902197.44,20336797.15,23977876.34,140736573.1,23442006,8896193.264,73530564.81,13160875.64,16161345.96,15962868.99,9652735.692,37415102.71,11897118.36,2977733.25,4309400,6362136.75,5278182.3,89.19908485,4309400,89.19908485,true,true,"2,2'-Dimethylbiphenyl","605-39-0","C14 H14",96.4,98.6,98.8,849,850,100,-0.97,true,true,"w11n17main1",139807,1546,"SemiStandardNonPolar",18,1.2,true,true,"1,1'-Biphenyl, 2,2'-dimethyl-","605-39-0","C14 H14",97.6,98.6,100,908,951,100,-0.97,true,true,"w11n17_w11rep",13814,0,"None",0,0,"2,2'-Dimethylbiphenyl","605-39-0","High","605-39-0","CAS-RN","DTXSID7060540","1,1'-Biphenyl, 2,2'-dimethyl-","ABMKWMASVFVTMD-UHFFFAOYSA-N","2,2'-Dimethyl-1,1'-biphenyl","4.12E-06","Y","-",27,"CC1=C(C=CC=C1)C1=C(C)C=CC=C1",1,"-",807.235,270.202,3.22849e-06,0.966,0.64,1.05439e-05,112.94,30.286,0.535,0.0165959,38.77,126.626,2.88403e-05,"-",2.84446E-3,1.52405e-05,3.1361e-11,638.412,15.1398,275.4,0.000529917,3.07487,7.25901,1958.85,4.8625,19,0.00306805,2.40517e-06,"-","-","-","-","-","-",0]
[8932553.878715038,2561,false,0,"Benzene, 1,1'-(1-methylethylidene)bis-",196.12506,15.304,2923666,196.12451,1410837441,9161282,"C15 H16",196.12465,196.12451,91.9,91.4,100,764,945,1593,12,3996644.733,777287.7382,2753372.631,116022.0943,260475.8529,7966475.618,12201444.13,43223.00952,22967.59857,25065436,11063873.26,0,35516.42763,9512554.863,16918467.61,855443.8204,472912.9095,8551024.816,19316841.89,15544003.69,6974754.293,12382757.18,94271.67259,726641.3688,339526.1994,9885791.57,13859728.56,1281257.876,23444.24896,7470614.956,23970703.75,730520.5371,520935.168,20989271.58,11196451.48,738912.9943,257924.4152,10346759.94,28875195.42,721402.8059,7827007.1,16065866.26,30060726.54,318668.4737,6619001.906,9316333.863,10452976.73,234741.8267,21389921.82,9934448.159,26865686.17,440547.2153,411327.2806,7643280.903,49919911.39,439927.4784,7297949.008,9505610.015,20948398.85,263941.9826,696333.7242,8932346.805,41444020.57,1136122.751,38700.59044,7644586.307,12686824.92,18717.37245,2351499.3,725349.2776,14653368.72,113952.4711,8251527.094,4487674.401,8543097.225,17392.66651,98790.34578,2164847.941,18677233.1,155949.8174,7470614.956,13407701.25,14892323.33,43840.14108,7266985.334,5872725.457,9668118.623,32660347.48,6373719.225,5771253.189,15526823.73,6199070.299,18041665.23,9672659.304,22722831.05,540553.4537,5250216.697,17586821.78,18327.35637,21644645.05,7976059.121,22907517.28,3917901.267,8456038.299,5653689.385,5571633.174,11498942.4,27546.79731,6073524.456,9776861.292,8602014.551,10719209.24,4802521.495,9685532.533,7453865.4,30061.13304,5243762.432,8913981.206,0,13875067.37,23793022.68,19068200.08,6839483.585,7779304.686,576640.275,7546411.351,13779540.71,639726.3148,7191884.743,20314585.46,39523344.63,5833917.515,25118744.05,7487364.511,12788353.18,7291272.776,16961.25337,8620787.777,12585800.42,8106844.018,12622729.04,14008386.38,110260.8488,7590097.375,10760336,61443.26234,4916400.927,21678675,7253040.096,6303421.605,37631.45781,2251451.846,693802.4825,5680639.608,101785,1064577,1823764,1329242.067,102.1886362,1064577,102.1886362,true,true,"Benzene, 1,1'-(1-methylethylidene)bis-","778-22-3","C15 H16",91.9,91.4,100,764,945,100,-0.72,true,true,"w11n17main1",180536,1581,"UnspecifiedColumnType",12,0.8,true,true,"Benzene, 1,2-dimethyl-4-(phenylmethyl)-","13540-56-2","C15 H16",90.1,91.4,98.1,678,796,100,-0.72,true,true,"w11n17main1",180522,1693,"UnspecifiedColumnType",100,6.3,"Benzene, 1,1'-(1-methylethylidene)bis-","778-22-3","High","778-22-3","CAS-RN","DTXSID8047892","2,2-Diphenylpropane","MILSYCKGLDDVLM-UHFFFAOYSA-N","1,1'-(Propane-2,2-diyl)dibenzene","4.51E-05","Y","-",41,"CC(C)(C1=CC=CC=C1)C1=CC=CC=C1","-","-",922.571,279.545,3.99025e-06,0.961,0.805,1.90546e-05,118.749,39.869,0.524,0.0195884,33.907,128.684,2.18776e-05,7.97995,0.00242103,1.59956E-5,2.11861e-11,771.307,19.7121,282.527,0.000525339,2.19398,7.22914,1114.56,5.20548,28.9414,0.0041768,1.29602E-5,"-","-","-","-","-","-",0]
[10864387.677075367,2193,false,0,"Pyridine, 4-phenyl-",401.98498,13.072,10872490,128.06215,1840340554,11950263,"C11 H9 N",155.07295,0,55.9,61.6,48.8,563,727,1462,0,823868.284,1130414.344,1108832.073,6828919.611,8916017.119,7002525.82,4848470.917,11515723.54,8806814.291,38008.33335,30931487.31,18134658.26,6394387.143,5595544.252,12322025.43,10584705.04,15476049.21,4830867.985,16365161.56,36941484.56,6794934.652,7918538.141,14770283.59,12308336.34,21664902.29,6122571.59,23073473.44,23481182.8,6261161.172,2338838.738,24039808.94,16523606.21,9750361.081,5445675.287,10526880.09,10747463.43,8483917.044,3356352.698,11980558.69,10495807.44,37138317.73,5648153.137,8005560.772,29637426.43,0,5036636.175,10376543.43,11340311.73,12270279.51,3453037.863,23787356.5,15071347.34,9423311.711,475046.0721,21904046.59,17481006.12,10934836.68,7173360.947,10077410.45,3619359.707,8966944.415,3052192.835,16641654.91,18521935.64,8504646.418,14152.26113,6695630.707,7556817.532,11843841.73,5796831.021,4147330.13,10110017.23,8472554.021,11511847.72,5822050.373,22743744.96,8197913.942,3131725.463,1021559.38,14982482.83,6549365.412,9192199.603,11191902.36,4539392.458,6495941.332,18335631.95,20632836.78,16491939.49,1512489.712,6869191.629,13280071.09,15958610.98,2920252.023,1978685.792,16396614.23,30085797.91,10027659.77,9750361.081,13477247.28,4816823.907,14249108.48,12935241.7,3057577.169,5150909.935,11826911.59,4265644.256,26825029.5,17993934.33,5239927.375,10368285.09,2084900.789,15287.8518,11216806.82,2178299.317,9156192.968,14616870.2,5203800.898,12347725.4,13801208.55,7947640.844,11014203.18,9840590.704,10939090.67,14413521.18,7173227.595,13328619.64,12084127.04,9660131.459,4607541.485,6909489.81,12085028.29,8016932.573,10357943.39,13273777.79,12356429.19,8128568.142,8677773.312,4848842.613,8876820.228,9633118.838,7290106.351,13024255.87,18682859.67,8313847.334,9439549.136,14144017.38,8941112.755,0,3620557.583,12042291.08,8447979.312,11717990.26,34887449.56,20553701.51,1742775,2599048,3959112,3232617.114,75.95745018,2599048,75.95745018,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Pyridine, 4-phenyl-","939-23-1","C11 H9 N",55.9,61.6,48.8,563,727,100,0,true,false,"w11n17_w11rep",10656,0,"None",0,0,"Pyridine, 4-phenyl-","939-23-1","Low","939-23-1","CAS-RN","DTXSID5022140","4-Phenylpyridine","JVZRCNQLWOELDU-UHFFFAOYSA-N","4-Phenylpyridine","3.64E-06","Y","-",52,"C1=CC=C(C=C1)C1=CC=NC=C1",2,"-",34.5939,254.647,6.23735e-05,1.039,0.532,1.0666E-4,110.152,53.865,0.517,0,"-",135.913,0.000291072,"-",0.0179061,4.09261E-3,1.38782E-11,52.8473,17.0007,280.325,1.1179E-4,1.9934,6.10307,345.154,2.59006,86.2886,0.00958132,2.98468E-3,"-","-","-","-","-","-",0]
[44155687.397139065,895,false,0,"Acetic acid, mercapto-, cyclohexyl ester",296.10287,34.611,272710805,67.05423,7097211727,46085790,"C8 H14 O2 S",174.0709,0,74.5,95,100,822,911,0,0,4087183.72,0,0,36686518.86,4223478.711,57629553.3,37817126.36,82292514.98,15056407.3,42395377.09,421909432.2,47729991.56,23595630.36,0,285035952.7,16322722.85,4138287.943,39343327.51,131799327.8,16250091.4,14834462.65,102977297.6,36813202.71,22821492.03,6272551.45,9634159.193,5981781.196,27228500.78,15175412.17,16182009.68,28239177.43,0,9022535.504,41718266.25,39102252.43,9234755.117,9672198.189,58648209.7,174902449.9,38638406.99,30360915.23,30141074.61,184519974.4,42084296.38,111447988.6,18862390.88,69591986.18,60467084.79,12601648.67,93593581.32,9135128.872,28867892.84,22099547.84,51067396.62,81892732.01,29064945.14,30680077.33,36785686.37,67508239.41,22270260.15,10211011.19,8363569.607,101849805.5,13658373.13,19565951.24,29602071.89,100960217.2,52798875.91,23558409.92,10213902.29,39638316.93,65064535.49,11839670.88,47504191.01,33211967.01,6883175.833,8936125.987,13296841.66,22811209.96,62023696.94,15723884.01,21765116.7,30697632.22,11620704.34,54912139.23,6946952.761,31820857.11,34888831.54,21005178.2,18274073.11,40346185.13,87382373.54,30248226.42,0,36247487.48,261571602.6,38400997.06,53870582.79,110548167.1,27489885.73,12947668.23,30141074.61,57432432.38,15931984.44,32129195.39,13981345.96,20211702.23,0,7636457.997,37057674.63,8753483.338,35142243.65,110102209.2,16337231.5,5731754.849,41429153.63,1099069.077,193287766.5,61104277.73,40617498.5,27933571.33,21371892.1,3748620.452,53507264.96,36484937.77,13097991.02,73379232.64,47112690.59,19546971.82,133384468,105612407.8,87013852.22,48782426.19,12579220.11,23795254.25,22307957.99,36482107.96,19365125.19,6736771.359,64689919.69,22663686.62,104035133.9,23740576.16,32348577.89,76513932.68,62050590.62,35810066.35,27178098.71,17035037.66,10938731.36,9289845.792,8219838.341,37879508.9,23677758.52,8441476.5,16384013,29586875.5,24584270.29,130.6004537,16384013,130.6004537,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Acetic acid, mercapto-, cyclohexyl ester","16849-98-2","C8 H14 O2 S",74.5,95,100,822,911,100,0,false,false,"w11n17main1",116056,1351,"UnspecifiedColumnType",0,0,"Acetic acid, mercapto-, cyclohexyl ester","16849-98-2","Low","16849-98-2","CAS-RN","DTXSID00168573","Cyclohexyl mercaptoacetate","DHQYDHVETSVMKQ-UHFFFAOYSA-N","Cyclohexyl sulfanylacetate","5.90E-06","Y","-",16,"SCC(=O)OC1CCCCC1","-","-","-",254.545,9.66051e-06,1.106,0.835,6.65273e-05,89.079,31.107,0.515,0.00310456,30.422,"-","-",3.1842,0.0484172,0.00433511,1.14582E-11,10.5931,4.22261,196.836,1.24387e-07,0.0920794,5.00804,116.843,1.48571,56.5739,0.00697303,0.0130024,"-","-","-","-","-","-",0]
[26265026.251079477,1355,false,0,"5-Hexen-1-ol",100.08883,5.058,26179830,68.06201,3958475676,25704388,"C6 H12 O",100.08827,100.08828,89.5,88.4,98,705,788,962,94,1647081.261,2465569.877,2290973.01,10985501.12,13096805.55,18549049.69,34535092.09,15132686.39,4969316.367,28360509.25,51656316.19,8124743.832,15163113.07,15168860.69,42007950.41,30545526.06,20146930.18,23129620.4,45048546.65,11446766.65,23683579.84,42955478.84,26679340.77,30695478.03,5093487.267,20427115.77,42197846.49,15179084.98,7484699.102,14431277.91,48939580.39,15625257.15,21778368.09,36227618.39,52780491.49,22587807.16,14296473.32,22081902.53,90102341.18,8505699.5,19795251.61,36368051.64,37881104.96,25438957.09,17673048.23,15207751.49,41433479.7,6469390.829,21616510.58,31538400.97,46221494.39,14729306.77,6505924.697,21434072.31,23693848.08,20022077.26,19817920.29,29969103.28,41147225.99,11126047.24,52056160.7,0,39194762.66,20503577.62,18290956.88,21940225.59,68020500.22,63247667.88,27771952.93,12741401.6,44616631.41,17355986.45,19194706.79,26435578.22,45752953.69,26534364.79,11229323.07,14481004.66,59108079.78,17193395.17,13572079.23,15160895.38,46461310.66,21845866.24,16308471.85,9931434.931,89432407.15,20025387.64,9503520.813,22291276.9,53280808.47,29166335.61,21683623.39,18122803.35,37149721.68,65886984.23,26123412.54,38726435,21778368.09,17314339.87,24061447.06,27502253.51,7824294.989,9537455.2,7979253.059,20956680.81,26930502.91,28936916.62,18955218.82,34738751.94,16945384.49,56678800.88,28368278.31,16740541.76,28156639.61,19567204.69,41239741.23,35255165.31,19114086.12,50817565.73,28219219.6,28278935.4,21458695.3,28180268.52,32245941.79,18325089.9,39351243.1,7735723.811,14454032.62,44177177.22,4845021.312,18160059.9,32996336.93,15458381.65,21432513.17,63714168.43,23253216.07,18560077.92,23607091.85,29424398.28,22098040.87,38603384.46,16016813.04,24635587.13,35905720.83,16827267.01,18375992.8,27004222.63,11402721.91,17491372.38,16673296.36,9304755.534,18860861.53,21291208.28,10980132.5,14326043.5,21804953,17316996.09,58.3004117,14326043.5,58.3004117,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"5-Hexen-1-ol","821-41-0","C6 H12 O",89.5,88.4,98,705,788,100,0.13,false,true,"w11n17main1",9139,868,"SemiStandardNonPolar",94,9.8,"5-Hexen-1-ol","821-41-0","Medium","821-41-0","CAS-RN","DTXSID2074950","5-Hexen-1-ol","UIZVMOZAXAMASY-UHFFFAOYSA-N","Hex-5-en-1-ol","1.57E-05","Y","-",39,"OCCCCC=C","-","-",5.21195,155.406,0.000474242,0.868,0.761,0.000438531,57.716,-33.124,0.514,0.0201372,26.398,153.746,0.00374973,2.48313,1.84927,0.107895,5.19777e-11,4.3511,3.55379,160.18,1.26015E-5,0.098351,4.56917,18.2804,1.23246,-60.1745,1.37977,0.10875,"-","-","-","-","-","-",0]
[54349405.694122195,1609,false,0,"4H-Pyran-4-one, 3-hydroxy-2-methyl-",126.03169,6.948,10787726,127.03445,2999475701,19477115,"C6 H6 O3",126.03115,126.03114,90.9,88.1,98,781,865,1120,0,97652.12547,120017.2699,68243.60077,5818726.699,89230.06513,12771089.03,22036071.59,12101786.09,24029722.19,9764330.147,3610590.544,17530001.25,18466537.06,42014.917,7382373.5,6837182.744,3994397.106,155726.6376,438486.4389,9543678.07,25506300.15,107707.4821,9030979.539,22493013.32,18487485.51,119870.8596,78763.21695,8206676.52,21824977.07,30778.13593,18877169.36,28338903.15,15782901.79,139244.0225,634092.7554,145384.8687,439164.5612,16943622.5,110306.7967,26598255.44,9581426.539,6393138.183,40481982.99,5245881.655,48342346.69,9359.079534,18341615.28,28421701.99,7388306.036,195985.5625,8147841.608,23148477.34,63185157.3,117025.5384,106319072.2,331959128.7,16741311.55,17348.83106,8265511.431,13589786.86,7493775.448,4981890.796,15142442.81,25720731.48,6440856.031,89649.2938,53909.06181,43735829.11,6973890.373,19750.25602,44338.50477,19661866.01,68595479.63,76237589.56,36306498.57,130549.6449,32466790.62,58872.8278,58239072.87,180853158.3,8206676.52,499483.1965,120373451.1,132595263,596682.9158,134633.3092,49409318.5,91308118.9,135803.1089,61403.84894,95195958.79,79348108.19,5669444.809,156561.7361,890791.8258,27364209.47,590833.9174,1545092.693,0,631394.0629,44580.00255,119064.3389,80251023.39,84480.80636,205449664.2,1536627.598,1169119.075,146546187.7,163006.2689,51316708.79,17465364.53,73511105.53,22653149.64,134548.2329,7361701.789,376936760.1,2931036.755,10689832.14,3493850.146,516629.187,528854.4175,4273095.396,275595.9379,17781824.22,21865504,1500533.852,10352808.19,741055894.2,218389405.4,4000970.82,332703159.3,1800731.18,3981953.795,2795653.646,485849376.9,12568442.57,221004699.2,4348710.711,1865932.41,411257811.9,116814945.5,290899662.6,629484818,5252623.127,248542710.1,219373008.2,9051651.25,2526245.788,597828.8664,648239.0762,4084434.431,672050354,4898544.228,199599678.8,21243.75,888745.5,2689960,2072308.533,247.7736597,888745.5,247.7736597,true,true,"Maltol","118-71-8","C6 H6 O3",90.3,88.1,96.1,754,841,100,-0.02,true,true,"w11n17main1",26846,1110,"SemiStandardNonPolar",10,0.9,true,true,"4H-Pyran-4-one, 3-hydroxy-2-methyl-","118-71-8","C6 H6 O3",90.9,88.1,98,781,865,100,-0.02,true,true,"w11n17_w11rep",5519,0,"None",0,0,"Maltol","118-71-8","High","118-71-8","CAS-RN","DTXSID0025523","Maltol","XPCTZQVDEJYUGT-UHFFFAOYSA-N","3-Hydroxy-2-methyl-4H-pyran-4-one","2.79E-05","Y","-",107,"CC1OC=CC(=O)C1=O",1,"Y",1.01859,228.288,0.000816582,1.269,0.664,0.00706318,119.597,110.859,0.512,0.0110917,"-","-",0.00064121,"-",0.034914,0.248313,3.97643e-11,1.62736,3.54624,202.061,4.08387e-07,0.150766,4.53095,90.3492,0.0882703,161.474,0.13152,0.262327,"-","-","-","-","-","-",0]
[1174611.8321272517,5608,false,0,"Pyridine, 2,3,5-trimethyl-",121.08946,6.144,321187,107.06862,162334105,1054118,"C8 H11 N",121.0886,121.08891,94.9,93.7,100,869,886,1063,49,24792.29541,24680.02841,18338.64404,149246.6682,193368.1413,8459922.575,20177.4038,522767.1037,172101.3854,1481781.818,125381.1841,750661.2056,68119.73902,339850.7817,4643873.113,361120.2475,84617.19193,978205.7392,311394.8433,73436.42802,86690.21287,212765.1137,201554.5417,290510.1735,0,27296.13061,1044602.026,207159.8277,28919152.9,15084.98302,697047.7679,304900.5441,102446.9818,655423.8116,700042.9474,152320.9277,3028512.928,470813.5402,417963.1152,0,2178926.061,40972.55924,71354.46305,188989.28,125545.0828,70787.21782,8947.067216,108103.6958,240918.0656,161139.0925,21367784.47,642571.3231,262376.4788,153704.2596,13289763.84,1361521.964,184641.8934,332714.5158,284240.7069,0,452075.7431,0,1379297.416,159785.7385,2638668.91,187987.951,26598.09563,120134.5724,44205.09697,129290.2897,280548.1753,226331.7044,836639.8989,301376.8138,12118337.99,72116.43517,1055279.417,79487.21478,306411.9135,157992.6693,51268.76518,133537.9146,734176.4637,459566.5088,79818.9588,23247.34121,44763.55119,193851.3353,17774.40685,157105.212,324150.9567,393312.0073,108111.5035,319494.7526,205085.1646,216452.0283,70328.04862,14138.69445,658181.823,2617130.271,127130.3714,4642237.234,322547.808,366762.3817,304493.8605,258696.3457,96613.2894,14499098.12,207159.8277,295179.7682,11907.4212,31955.20079,500157.158,108569.546,179366.224,226997.508,34566.79598,486628.4346,888944.7007,32831.50575,102463.2117,81850.55866,179962.8024,85153.17043,36804.83384,54060.43012,4288578.66,100334.0639,228446.6723,3694906.681,89641.98861,83320.57421,162969.0056,231137.6464,372064.5275,3062603.065,86620.86918,515063.7946,5116683.946,78735.60845,9134.020989,531606.972,315969.9387,60395.74538,3119191.134,187322.1474,335769.3917,4517598.742,253317.621,371744.8078,328531.6792,12018.44867,282960.0387,28202.52061,55775,125414,280310.5,648937.6735,263.7648132,125414,263.7648132,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Pyridine, 2,3,5-trimethyl-","695-98-7","C8 H11 N",94.9,93.7,100,869,886,100,2.58,true,true,"w11n17main1",22616,1014,"UnspecifiedColumnType",49,4.6,"Pyridine, 2,3,5-trimethyl-","695-98-7","Medium","695-98-7","CAS-RN","DTXSID80219734","2,3,5-Trimethylpyridine","GFYHSKONPJXCDE-UHFFFAOYSA-N","2,3,5-Trimethylpyridine","3.16E-07","Y","-",25,"CC1=CC(C)=C(C)N=C1",1,"-",15.2055,183.949,0.00012331,0.936,0.644,0.000864968,61.5,3.69,0.512,0.00549541,31.757,131.452,1.98153E-3,1.43549,1.45211,0.102094,5.44035e-11,6.94985,9.77684,184.319,8.59352e-06,0.733459,4.47744,56.2162,1.35182,-27.3902,1.88212,0.250376,"-","-","-","-","-","-",0]
[31746312.398043115,1257,false,0,"1H-Benzimidazole, 2-methyl-",145.96904,5.359,9204511,132.09337,4416418196,28678040,"C8 H8 N2",132.0682,0,34.4,10.9,20,500,869,998,0,2497547.135,2259940.694,1809715.798,16245699.62,2748638.611,47031680.29,29077077.3,10064037.03,3016604.563,16332184.47,18126019.77,8764962.406,6989862.585,36095082.11,44777152.2,29325913.97,7138531.528,35501253.39,38687974.42,26160135.21,5867201.604,4110636.64,147468453.2,3297387.765,2957188.255,32823763.51,10094843.01,31162342.85,2807915.651,58586180.48,17128433.2,52609.19632,7384858.473,35212947.5,9165314.458,21038513.8,10961968.9,18534332.09,15816862.12,16288942.05,8106574.423,98224890.94,2979210.462,37670503.54,5735135.309,22906271.97,6513443.364,6715530.745,18917026.57,9836814.167,38114428.46,51521418.02,4225723.618,13076126.86,8218953.205,32722972.13,5464499.244,3802118.008,210141625.2,35412457.48,104551490.4,4980139.412,411642411.5,13660857.52,0,156422499.5,51116337.36,2772762.283,60422787.85,77342835.29,228602637.4,2970405.514,8797982.839,21366596.71,104546105.7,3949086.637,26676199.02,15221524.08,47194858.81,3258920.248,46780978.7,16611632.73,46788969.03,2494837.132,16209351.24,4957276.487,11595691.07,2054379.634,32899203.38,5553500.73,10028570.13,15906435.5,43247753.64,7452674.083,10835092.26,542556.1255,19552264.17,73592871.93,9236595.27,186284.737,13833248.1,88013401.65,27964796.79,16288942.05,1331490.599,77299307.55,21603531.49,32574372.52,17125570.49,51452760.94,18202960.25,23619040.74,3891118.324,38395130.11,16062447.32,4311866.484,2406365.356,38975740.25,75908.90417,889153.7891,38258069.66,22668774.61,10856478.48,83533055.63,1116243.889,36566838.76,462984.5203,16574048.9,10112338.23,26585467.36,2000173.336,15575784.44,134214094.8,6946.030719,16513529.51,41321983.14,2230162.985,17352156.41,56060449.99,1366793.274,8718142.283,80829902.75,1784851.538,18929552.3,122873896.8,20416095.66,21863073.71,236892929.2,36624760.15,16064354.58,16893839.52,541553.2774,10585933.81,3808174.873,1482777.25,5189708.5,10102808.5,8996891.407,142.4586698,5189708.5,142.4586698,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1H-Benzimidazole, 2-methyl-","615-15-6","C8 H8 N2",34.4,10.9,20,500,869,100,0,true,false,"w11n17_w11rep",6460,0,"None",0,0,"1H-Benzimidazole, 2-methyl-","615-15-6","Low","615-15-6","CAS-RN","DTXSID5060641","1H-Benzimidazole, 2-methyl-","LDZYRENCLPUXAX-UHFFFAOYSA-N","2-Methyl-1H-benzimidazole","5.25E-07","Y","-",45,"CC1=NC2=CC=CC=C2N1","-","-",8.8308,293.618,1.03039E-4,1.17,0.644,0.000194984,155.106,122.146,0.507,0,"-","-",0.000693426,"-",0.000142889,0.00693426,5.93151e-11,3.72515,3.81756,313.822,1.08629E-7,0.141128,8.37543,154.505,1.4306,176.505,0.000678556,0.0109833,"-","-","-","-","-","-",0]
[21794396.29793442,1567,false,0,"9H-Fluoren-9-one",180.05734,17.681,64408803,180.05679,3131983163,20337553,"C13 H8 O",180.05697,180.05679,92.5,87.6,92.4,875,915,1743,9,120405.0477,247672.6379,12011.98117,14076455.63,6033643.099,0,49822229.29,46750250.4,12007734.18,46657805.21,31833710.94,33619353.87,19801759.4,4851284.852,12607888.48,13017807.57,8738078.992,24696267.87,12470325.59,39471471.79,25548702.2,44915617.6,8815344.99,10982193.91,19153490.74,8299997.298,11549355.51,41270364.73,985884.2237,13547131.6,16659369.95,81999077.4,0,9781578.433,24971254.53,9606897.245,8182754.726,10461735.23,71197990.94,22712932.59,12496668.56,5213674.455,97885238.69,26552128.88,11180356.02,20266098.17,24126959.97,21383864.23,3526177.466,0,102680783.1,39278338.84,14757123.34,7194878.356,70203368.97,48350427.88,23527363.35,7533774.175,24696527.17,10019826.3,633107.7163,476205.9131,12037958.85,36089950.22,12337139.85,50918576.43,45344988.07,9835916.554,11843904.72,5443188.87,26820087.27,7210853.379,31009062.53,10214427.28,36956463.53,3949803.019,8007337.909,4338053.323,6938565.021,19199964.81,43982211.28,27772070.01,21761129.58,5955874.825,13547131.6,10575128.04,17340811.06,32392950.67,8111302.521,9128683.307,30296411.09,9104316.679,35628071.29,4727068.799,25293468.47,5627147.204,1658529.659,20556353.64,6638466.89,16077527.08,8023011.378,31623709.99,15907082.92,6182313.845,15197234.32,56963693.22,6808859.151,87504686.44,8484778.475,24804667.52,4316507.954,18776849.78,17803319.89,5900054.101,19312006.82,2530975.672,24723407.22,28859562.92,6322939.574,72728360,30090844.49,8306500.607,11165477.29,45057984.08,14931150.05,23081811.32,13334942.44,9701198.011,10194795.23,34910509.02,29355761.96,20801870.76,75747685.37,12270058.56,156910773.8,4505352.345,6382004.508,11811866.2,34050950.39,25537014.81,14234646.7,21299996.81,11464375.83,7259951.342,2345763.435,13759320.76,18075190.26,32840293.43,10669456.09,4274072.14,7319713.021,13165631.08,11016259.46,8555070.31,4433492.75,8099280.5,16366396,12536817.92,102.7384807,8099280.5,102.7384807,true,true,"9H-Fluoren-9-one","486-25-9","C13 H8 O",92.5,87.6,92.4,875,915,100,-0.96,true,true,"w11n17main1",133924,1752,"SemiStandardNonPolar",9,0.5,true,true,"9H-Fluoren-9-one","486-25-9","C13 H8 O",92.3,87.6,91.2,865,890,100,-0.96,true,true,"w11n17_w11rep",13574,0,"None",0,0,"9H-Fluoren-9-one","486-25-9","High","486-25-9","CAS-RN","DTXSID6049307","9-Fluorenone","YLQWCDOCJODRMT-UHFFFAOYSA-N","9H-Fluoren-9-one","9.36E-06","Y","-",80,"O=C1C2=CC=CC=C2C2=CC=CC=C12","-","Y",75.8578,310.66,1.55597e-05,1.192,0.64,1.99067E-5,155.041,141.751,0.505,0.0121619,"-","-",1.47911E-4,"-",1.00462E-4,5.78096e-05,1.26049E-12,54.9415,8.97867,341.467,6.54284e-07,0.225059,7.51226,7196.5,3.57949,84.1771,3.28758e-05,3.99991e-05,"-","-","-","-","-","-",0]
[6228581.53859817,3134,false,0,"1,2,4-Triazine, 3-chloro-5-phenyl-, 2-oxide",207.03284,26.96,1002776,461.95132,955636389,6205431,"C9 H6 Cl N3 O",207.01939,0,32.5,0.8,1.2,609,914,2453,0,361577.1168,427723.2501,212723.9022,0,187064.664,0,41490.03689,103215.0013,0,0,0,36184.18549,0,0,16004009.23,0,151128.4473,6218902.826,8136400.836,26307408.78,27807.59807,50250.46631,15544716.8,285038.3537,696154.6519,0,11485956.74,0,44267210.58,0,40779742.52,0,1009872.561,0,29770030,0,0,45870.2516,576697.102,44134962.91,39246340.42,0,61820.85807,0,39760114.29,11145.47359,42320.89739,9947683.585,86842.25548,16762.76873,545413.2625,9776038.39,9885.402954,0,1317963.894,0,15240286.1,9790879.46,49419.60581,413889.4302,0,0,13662896.59,0,0,199427.8636,0,28552.27404,928690.7281,0,0,9553223.223,0,29188813.31,53249.02037,0,0,0,451338.8987,0,9562407.901,0,38331947.89,175046.6848,10275106.39,0,18089099.63,12712106.82,903196.3146,0,37691.8216,0,281384.7933,29828.2056,38364904.03,3244915.841,0,26637040.46,17291786.88,366268.4119,0,33215.40221,109178.1685,16954540.28,0,0,33899277.55,0,0,45870.2516,0,48697759.43,0,0,61452.75061,0,0,22768793.8,77929333.59,0,894089.6716,0,61370.15283,180222.6663,0,21994075.02,0,0,207727.728,119256.9578,3087149.106,0,45856.0106,0,98174.58568,0,0,45884.4926,21882642.06,0,0,24056305.26,30495.67115,0,60465863.75,0,129769.6618,86069.73816,213321.5917,0,0,3805382.401,0,66889.96329,41871,446907,10315321,5491696.056,136.4908422,446907,136.4908422,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1,2,4-Triazine, 3-chloro-5-phenyl-, 2-oxide","61178-01-6","C9 H6 Cl N3 O",32.5,0.8,1.2,609,914,100,0,true,false,"w11n17main1",212182,0,"None",0,0,"1,2,4-Triazine, 3-chloro-5-phenyl-, 2-oxide","61178-01-6","Low","61178-01-6","CAS-RN","DTXSID00618866","3-Chloro-2-oxo-5-phenyl-1,2lambda~5~,4-triazine","HUOMCMQOJUBCLM-UHFFFAOYSA-N","3-Chloro-5-phenyl-1,2,4-triazine 2-oxide","2.61E-07","Y","-",1,"[O-][N+]1=NC=C(N=C1Cl)C1=CC=CC=C1","-","-","-","-","-",1.377,0.423,"-",186.369,159.279,0.505,0.00966051,"-","-","-","-","-",0.00744732,4.08336e-12,23.2722,3.55179,301.818,4.18255e-07,0.217866,6.32789,129.993,1.16301,107.037,1.1172e-05,4.62702e-05,"-","-","-","-","-","-",0]
[5545953.343470196,3289,false,0,"1,1'-Biphenyl, 2-methyl-",168.09383,15.704,40868463,168.09328,860170642,5585524,"C13 H12",168.09335,168.09328,92.9,87.8,98.7,889,915,1618,0,879808.6145,1171520.821,545909.9221,6117914.551,3156802.961,889159.2369,4009548.013,5809649.357,3050274.65,6761337.936,3988615.19,6675512.706,3126772.336,214901.1266,5581830.139,5092347.35,2146188.715,202212.777,5162051.222,0,2525080.032,515115.4864,4101753.521,5976652.457,8682805.675,352546.4173,5617627.301,15149799.8,2063473.09,1014056.52,7138949.105,6227978.484,2050823.657,327696.8578,3999081.602,5316077.447,2567234.32,223075.7715,9012143.599,5458253.52,1197225.89,2424423.873,9302200.887,18660730.02,2649313.956,4083694.508,5878398.025,4077011.958,1198011.897,2231465.592,12594407.5,3138207.205,2770532.876,2491079.988,6380465.566,10599743.1,2577573.263,3628379.442,6590752.872,3921151.246,3114947.795,2643551.654,6240140.638,5547907.588,5174404.241,9054975.466,9618378.723,1331236.472,1835967.087,2367760.494,5044859.101,4346361.451,14602940.07,3337961.536,8983024.811,4402005.352,403842.628,1577587.926,8118532.022,6984210.759,5534919.061,5324562.866,6456682.999,2302298.515,4398760.043,5465681.617,478426.2704,2285758.714,4050075.145,3673101.34,6681160.675,5871011.156,7089121.547,2182393.312,314343.9277,11004501.73,3846735.835,4547572.307,2454389.502,3953488.555,8890514.698,631411.0751,2851198.538,3999081.602,3909896.155,5462703.617,360262.7587,170696020.2,3392496.935,656934.9951,2456603.162,271231.8508,3283509.671,6052882.138,395472.3057,0,5477217.751,12843477.28,3435411.976,5149956.861,7924927.219,4140536.547,2912897.04,365148.856,2695703.885,5035598.878,6104780.882,2092071.583,3071424.957,6315682.009,4123606.918,3703217.981,662267.3617,2948939.143,7313021.228,6429486.736,1417632.593,3405073.437,5642691.544,3381831.662,3874556.286,6560507.779,5753413.126,6487327.12,4549533.443,907455.2623,3011034.567,9966074.117,4638823.906,3630711.288,4990795.214,2461721.93,7792990.789,3565492.483,588166,957470,1545875,1371127.275,244.2881908,957470,244.2881908,true,false,"2,3-Dihydro-1H-phenalene","479-58-3","C13 H12",90.8,87.8,94.9,783,862,100,-0.45,true,true,"w11n17main1",104156,1597,"UnspecifiedColumnType",21,1.3,true,true,"1,1'-Biphenyl, 2-methyl-","643-58-3","C13 H12",92.9,87.8,98.7,889,915,100,-0.45,true,true,"w11n17_w11rep",12264,0,"None",0,0,"2,3-Dihydro-1H-phenalene","479-58-3","High","479-58-3","CAS-RN","DTXSID60197324","2,3-Dihydro-1H-phenalene","GKNLVRYWFYXZFU-UHFFFAOYSA-N","2,3-Dihydro-1H-phenalene","2.43E-06","Y","-",9,"C1CC2=CC=CC3=C2C(C1)=CC=C3","-","-",490.908,313.262,1.75388e-05,1.084,0.615,7.90679e-06,133.122,69.745,0.502,0.0088308,37.417,123.403,6.32412E-5,6.83912,0.000824138,2.55859e-05,7.37441e-11,192.031,106.769,274.559,0.00023029,3.57865,6.35681,5012.3,4.03382,70.9242,0.000201296,4.42782e-05,"-","-","-","-","-","-",0]
[2053620.7930754973,4827,false,0,"Acetophenone, 2',4'-dimethoxy-",180.07846,12.664,6388664,165.0545,320331863,2080077,"C10 H12 O3",180.0781,180.07791,84.5,80.3,88.6,620,711,1439,32,12147.09836,24150.44408,24402.01121,1010575.706,1347863.717,1719375.029,2427918.498,5566497.488,1724075.497,1119300.066,1304884.775,3412825.031,1444241.424,0,1627269.858,1755484.405,1822586.075,0,1020227.968,3620397.334,38294.32306,2578910.843,1574317.139,2192464.903,1342266.628,1102979.751,1962232.541,1934097.168,2222907.976,989881.5394,1538000.209,152421.9536,2240986.993,898439.0119,2313522.343,1221809.015,1138307.46,667026.7414,2468660.833,1456757.466,2456025.533,670454.3459,1887852.183,2862228.602,1600793.498,1967330.029,2026531.946,1810130.12,648423.8878,1545111.074,10669474.94,2951127.564,19060.4354,260319.4873,5402675.656,2685300.208,1507360.957,881457.8767,2289625.409,442907.5362,2838349.842,2132292.061,1536054.319,11086519.87,1166991.984,3785394.455,1656475.922,779582.3295,770545.6155,1284354.03,1670793.377,785616.2691,1806307.253,1354205.19,2407483.572,1902314.668,1802942.888,1294992.923,1600793.498,1377794.446,3987032.088,1084163.085,1784357.33,717812.2377,1527935.788,1870169.365,1437374.387,4182593.737,1159425.887,1892857.402,2575917.439,953334.357,1637715.812,851690.1803,3115553.804,448524.8341,1840161.001,2682946.811,1593860.198,1684031.808,1498502.435,2388378.293,1373108.662,1394478.046,1754039.345,1194454.536,1876687.995,6169808.163,1714300.033,2095982.652,711647.4609,0,0,1086206.031,1409136.923,21184988.17,2029693.792,14858.35084,891194.193,13181133.74,3245828.274,1035976.978,1725275.254,18992.84846,1256208.962,108643.6153,5529761.37,1212963.624,1439176.632,29404.46097,2249398.197,2099797.214,188313.4465,3123769.076,8275923.763,0,1476311.742,2379015.774,0,1997511.466,1463321.452,4194991.57,1919462.056,882241.4983,36962.83944,2489662.036,2234157.62,50249.21983,558130.262,1451612.426,1996036.397,2517123.068,3287469.341,2045187.391,388263,592823,924086,798982.6207,112.1992146,592823,112.1992146,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Acetophenone, 2',4'-dimethoxy-","21160-26-9","C10 H12 O3",84.5,80.3,88.6,620,711,100,-1.02,true,true,"w11n17main1",132114,1407,"UnspecifiedColumnType",32,2.2,"Acetophenone, 2',4'-dimethoxy-","21160-26-9","Medium","21160-26-9","CAS-RN","DTXSID50492173","2-Methoxy-1-(4-methoxyphenyl)ethan-1-one","CAORAKZMJBISBZ-UHFFFAOYSA-N","2-Methoxy-1-(4-methoxyphenyl)ethan-1-one","5.44E-06","Y","-",2,"COCC(=O)C1=CC=C(OC)C=C1","-","-",7.01455,270.413,4.45656E-4,1.068,0.515,0.000358922,112.183,73.408,0.496,8.05378E-3,37.673,138.974,0.000387258,3.47536,0.00416869,0.0285759,1.25539E-11,5.52264,4.64605,242.484,1.0839e-07,0.198507,5.80054,179.608,1.69304,76.1157,0.00268319,0.0279158,"-","-","-","-","-","-",0]
[38774926.02031548,1020,false,0,"6H-Benzo[3,4]cyclobuta[1,2]cycloheptene, 7,8-dihydro-",168.09378,13.515,18694041,165.06975,5970254683,38767888,"C13 H12",168.09335,168.09323,94,90.3,98.8,892,941,1487,37,3979120.431,44570.57233,3236628.856,33970384.52,28021460.7,32419665.55,35565209.34,46799446.56,20522738.65,55084704.09,7121558.533,64803388.83,26668545.57,6473245.771,63699811.11,40736243.4,49708942.35,22423440.6,10158090.17,101201878.5,23921060.01,33490226.42,49467453.16,38850016.24,39432755.68,10381432.42,76170646.85,85774747.02,23039343.51,28428983.73,86857115.54,83072809.86,30314038.28,27936985.67,42589559.54,61582516.39,34767796.93,6904556.56,93008432.57,46902281,191810.9555,25528664.95,53816977.31,95604591.83,204131.5428,33915579.98,53846382.87,31485635.46,34168974.14,23184185.01,3586831.48,52951904.17,35569082.02,23387709.69,70002229.99,68055894.7,26344774.46,14662680.16,11295081.93,34337453.79,42375514.44,35198140.07,65962234.81,68597751.92,43169766.4,10431356.93,49525906.83,30658259.13,16135930.74,28777305.04,47829744.07,36048953.98,36557400.47,35743671.42,49860558.95,143327.4221,77903506.64,22804295.46,87599346.65,103481.124,32300688.09,39916589.38,48755199.41,28931398.83,33422233.91,15841658.6,15896776.23,70858344.98,25367653.25,31686385.86,96089825.87,64180173.27,48369334.89,26450380.8,24116529.87,27895.49274,7937252.02,55197002.18,36581224.98,30640461.65,16969799.2,96696232.86,23080762.56,33015839.71,33279564.42,39439204.83,34767796.93,202635532.1,56695612.61,44142615.18,7753399.802,25220804.84,43487125.07,45085901.24,27543526.25,508037.6083,21175472.03,32895559.39,34973378.83,59744253.36,68116459.23,46950887.65,26623640.87,28674873.77,30492201.23,38680176.12,35427372.4,26725637.12,4555913.18,35171505.87,49547329.13,22443137.68,45036273.05,41479074.86,52060015.38,37834150.44,24264869.17,22068928.34,54998981.82,210059.7362,34562215.03,44409006.89,41129852.82,6277695.42,62338770.84,43732479.62,22261942.77,25181910.39,22400037.28,24777428.9,36703506.58,17329655.14,63447739.02,61584132.38,5016363.5,7356762,10727787,8355972.278,66.82369379,7356762,66.82369379,true,true,"1,1'-Biphenyl, 4-methyl-","644-08-6","C13 H12",93.2,90.3,94,851,868,100,-0.72,true,true,"w11n17main1",104194,1492,"SemiStandardNonPolar",5,0.3,true,true,"6H-Benzo[3,4]cyclobuta[1,2]cycloheptene, 7,8-dihydro-","39675-35-9","C13 H12",94,90.3,98.8,892,941,100,-0.72,true,true,"w11n17main1",104154,1450,"UnspecifiedColumnType",37,2.5,"1,1'-Biphenyl, 4-methyl-","644-08-6","High","644-08-6","CAS-RN","DTXSID4047177","4-Phenyltoluene","ZZLCFHIKESPLTH-UHFFFAOYSA-N","4-Methyl-1,1'-biphenyl","2.82E-05","Y","-",74,"CC1=CC=C(C=C1)C1=CC=CC=C1",6,"-",885.116,271.02,3.57273e-06,0.972,0.601,1.6293e-05,115.229,24.933,0.495,0.0149968,39.254,131.09,3.43558e-05,"-",0.00403645,2.48886e-05,3.91124e-11,488.618,37.8683,265.24,0.0005144,3.69623,6.72601,2235.2,4.62856,17.9412,0.00803781,2.39053E-5,"-","-","-","-","-","-",0]
[2169464.016583047,4799,false,0,"1,1'-Biphenyl, 2,2'-dimethyl-",182.10936,15.066,689496,182.10451,328606736,2133810,"C14 H14",182.109,182.10881,84.8,81.6,87,608,634,1579,0,403731.9547,943391.3375,0,1309389.564,7213553.49,6314624.901,1066216.913,1189617.198,786433.3267,682584.6756,1222132.369,1668825.75,1081068.839,405063.7542,1558040.246,1535889.95,1054295.392,824294.6812,1560592.123,1490389.976,954721.1356,593783.5949,1641171.905,1397046.553,1542733.234,289178.748,1702765.72,1265760.967,603224.7242,4107113.692,2217771.982,954107.5295,723948.9966,350372.8424,864335.1719,1537472.032,834922.5896,217305.5791,3010079.616,6716022.495,12482720.72,200727.063,1764646.338,3941493.797,12443354.42,891424.5899,1540245.944,856408.9186,1185920.924,0,5114973.331,1318911.809,22922.89734,3922369.658,3202035.257,1213766.486,850394.9088,886975.8777,1971452.764,359103.7196,1024935.868,4098480.297,1911484.495,5713834.025,9159559.742,904400.2519,1728296.366,704312.5225,576532.2307,641404.5875,7732818.364,1317755.448,1156123.807,4350353.259,1268374.986,1021872.038,1430274.697,395930.3052,1827931.325,1382321.264,696462.2743,5069297.886,1613639.702,1120647.188,6016384.874,1352112.832,1265975.084,1356511.165,1121360.914,662765.5087,645203.4003,1038265.421,1708525.048,3135329.254,1344101.263,1391024.254,793671.6888,702756.4412,445146.1399,1017589.685,8393907.146,10414829.85,708867.7158,879158.1618,913002.1333,884555.7109,620820.7526,1321395.87,734691.197,7257290.349,3527280.54,358705.059,680416.8327,1747400.784,2087725.183,1692776.993,725409.7085,772943.8908,505288.7309,1942434.136,1184613.06,1384062.456,1080911.622,1642315.332,914844.4402,1860061.468,1013542.28,690302.373,912925.1496,693573.3819,1228278.789,1412060.202,11506311.61,6307976.423,1306775.535,241360.1315,470480.1176,911543.5591,717859.503,1549928,1303243.144,1607252.805,1185427.078,4776748.437,567617.1339,9836730.4,1047066.388,4880748.597,1095496.737,4469475.235,1320949.907,11057600.88,2931055.51,810560.4935,156482.75,249879.5,390262.25,429308.1533,118.3849213,249879.5,118.3849213,true,true,"1,1'-Biphenyl, 4,4'-dimethyl-","613-33-2","C14 H14",84.5,81.6,87,591,613,100,-1.05,true,true,"w11n17main1",139921,1594,"UnspecifiedColumnType",15,0.9,true,true,"1,1'-Biphenyl, 2,2'-dimethyl-","605-39-0","C14 H14",84.8,81.6,87,608,634,100,-1.05,true,true,"w11n17_w11rep",13812,0,"None",0,0,"1,1'-Biphenyl, 4,4'-dimethyl-","613-33-2","High","613-33-2","CAS-RN","DTXSID30210195","4,4'-Dimethylbiphenyl","RZTDESRVPFKCBH-UHFFFAOYSA-N","4,4'-Dimethyl-1,1'-biphenyl","5.53E-06","Y","-",29,"CC1=CC=C(C=C1)C1=CC=C(C)C=C1","-","-",651.628,281.37,2.32809e-06,0.953,0.738,1.26765E-5,122.794,45.769,0.49,0.0148594,38.649,129.094,3.71535e-05,"-",4.29536E-4,8.05378e-06,2.29873e-11,637.296,22.9228,275.4,0.000525116,3.19228,7.25901,1075.19,5.0889,19,0.00209739,9.65137e-07,"-","-","-","-","-","-",0]
[3693666.300906212,4026,false,0,"3-Acetamidofuran",125.04776,8.933,12841127,125.04721,547217755,3553362,"C6 H7 N O2",125.04713,125.04721,89.2,87.2,99.7,718,849,1234,0,2411.669329,0,0,2847735.442,0,695222.1032,4698798.819,13970511.75,11361835.8,233129.8608,439539.721,6447568.772,5611942.872,697497.4112,0,1989007.904,362702.0841,856560.1165,0,4429792.398,5809042.642,3438044.405,263916.3693,13816413.23,10074603.44,883339.5932,591147.1616,17002135.52,10238632.01,577127.7489,10721440.63,7249634.943,12816331.37,825545.5586,0,1436173.749,1035897.943,199918.1339,3420742.837,15420173.7,4144203.302,776955.1086,5349643.48,44627.44147,751361.5743,0,2194850.348,5378113.483,1802332.001,115378.0907,0,6685746.379,14118412.48,1070015.496,3456505.921,4812509.935,7447828.672,68095.79682,882309.0191,4234455.286,669428.1323,75715.0812,0,3188656.183,563611.5209,921384.6361,264549.6261,5703800.516,2168015.294,203951.0257,359040.712,4521389.986,0,777893.4954,1862113.404,817086.4774,1240532.902,304810.9936,552577.4007,16392405.25,1053469.443,9456586.774,1290528.634,21459511.04,6309341.428,407162.6896,2470049.51,3480581.442,177809.8471,839302.6398,4940936.341,4675365.16,1938251.527,0,0,448663.4551,694075.2488,744782.7966,14610005.91,6703434.795,470405.6978,546725.5212,8861425.898,316503.5135,17423821.5,2295650.762,2017958.097,22595442.53,1436173.749,6359224.768,988887.0961,5789507.579,12603633.56,634691.0345,1583294.277,3998167.04,460440.3603,2505587.442,0,576439.5676,227262.7957,0,601366.547,4459389.696,3378765.836,420188.2335,0,13949209.92,1616263.567,149063.5902,17873837.3,3163288.201,1377100.231,0,11467248.59,0,1574325.129,6754411.361,915462.9697,3160616.729,389733.1956,347304.0787,2488772.508,398185.0392,1148119.426,1747582.85,8224258.72,3576334.336,1495247.266,268014.4764,789643.8512,16281307.62,1948707.819,6348.391948,410856,1348475,4221389.5,3018145.404,124.8923047,1348475,124.8923047,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"3-Acetamidofuran","59445-85-1","C6 H7 N O2",89.2,87.2,99.7,718,849,100,0.65,true,true,"w11n17main1",25940,0,"None",0,0,"3-Acetamidofuran","59445-85-1","Medium","59445-85-1","CAS-RN","DTXSID70334768","3-Acetamidofuran","MSUYGSATOVDCFI-UHFFFAOYSA-N","N-(Furan-3-yl)acetamide","1.12E-06","Y","-",3,"CC(=O)NC1=COC=C1","-","-",2.00909,199.932,0.00128529,1.115,0.336,0.0018578,69.752,49.906,0.489,0,"-",178.769,0.0104232,15.7761,0.0177011,0.262422,8.86315e-12,4.61448,4.65428,285.563,5.43604e-09,0.158064,6.90884,47.9046,0.752497,65.4255,0.000312273,1.40965,"-","-","-","-","-","-",0]
[13502314.384961016,2235,false,0,"2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate (binapacryl)",106.07831,5.704,25161777,70.04134,1780283553,11560283,"C15 H18 N2 O6",322.11594,0,72.7,98.2,98.5,671,755,1027,0,2685.800534,2519.177753,170294.4325,1921462.718,12876331.36,0,6724894.186,7238955.408,4344789.039,7147255.463,36245321.29,402611.502,39194170.39,16582056.14,81562128.51,18012681.17,6198413.777,6258361.611,42528310.97,3563829.83,9420991.979,3612845.625,64602066.41,0,30137.27804,17044378.88,78412642.13,1092654.67,5734420.188,13832285.34,20615405.5,4599661.529,26365303.76,2567034.196,15052537.35,3237476.658,7193105.435,0,8508280.862,2330751.192,2226187.462,7921804.379,25756400.64,13786224.06,4761981.871,11479837.48,71836075.27,12187851.03,6960.412673,11575623.07,26090832.83,5558654.651,5106998.669,7384572.456,6833817.669,8336347.507,4121457.907,12996186.77,6062059.788,35681.3936,15195000.55,10795699.98,27002432.76,61529685.45,2808218.177,6646123.49,38403514.49,4471705.416,2726274.877,7001638.415,58761145.62,477122.2994,5671741.945,3315920.055,11796923.24,12328913.71,7710981.587,5993468.199,8923314.372,5079315.359,2754523.95,2001662.243,11961242.13,8582632.971,24244614.74,7063873.188,69956580.44,13830456.13,3363928.134,5247131.612,7483561.445,8662299.671,1334306.753,7216382.26,11874471.71,13390013.52,19053550.02,8035384.864,3802252.513,5252640.216,3874666.878,5925108.008,2197506.988,10699379.46,3953388.397,13857999.15,4922688.705,6289722.114,8962062.844,7193105.435,0,88859965.51,45195258.64,6325002.939,4010886.337,14304667.29,37271315.36,25343141.95,7333308.614,7609395.048,9623901.979,7638001.075,10766210.21,0,88115024.09,9888586.375,42940617.84,775870.152,7052902.257,0,148934.7034,11529574.79,0,6545967.453,4606714.308,40022239.51,36253955.16,10159725.42,7658288.561,6912938.794,2655024.565,5749007.4,5988169.265,18757723.24,0,5444294.752,8059304.523,6684302.534,4008717.965,5586354.252,1790234.331,8980780.279,7925323.008,1582457.508,1937305.5,3781373,6311000.5,6275599.839,127.9860324,3781373,127.9860324,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate (binapacryl)","485-31-4","C15 H18 N2 O6",72.7,98.2,98.5,671,755,100,0,false,false,"w11n17_w11rep",21340,0,"None",0,0,"2-sec-Butyl-4,6-dinitrophenyl 3-methylcrotonate (binapacryl)","485-31-4","Low","485-31-4","CAS-RN","DTXSID9040269","Binapacryl","ZRDUSMYWDRPZRM-UHFFFAOYSA-N","2-(Butan-2-yl)-4,6-dinitrophenyl 3-methylbut-2-enoate","6.82E-06","Y","-",75,"CCC(C)C1=CC(=CC(=C1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O",2,"Y","-",368.031,6.42688e-06,1.292,0.919,9.24698e-08,184.79,78.877,0.488,0,"-","-",4.39542E-6,"-",6.13762e-07,1.1298e-05,2.25289E-11,305.231,3.53688,342.124,2.08174e-08,0.426235,8.52583,5343.13,4.19612,70.0296,3.18985e-07,3.12863E-6,"-","-","-","-","-","-",0]
[549687.6767011918,5969,false,0,"6-Acetyltetralin",174.10464,13.624,796364,174.1041,82971433,538776,"C12 H14 O",174.10392,174.1041,93,87.3,100,902,972,1493,22,2862.432762,24477.39892,5110.300656,125664.3142,277499.7151,390395.5345,492448.113,766401.1221,148762.0601,1098855.351,49078.07372,551710.6023,304211.286,140324.5032,372593.1195,281302.5328,264074.1613,342859.4301,125397.6047,777306.1832,442654.6927,2282474.854,314625.3191,168927.7683,351100.9291,271814.0346,429400.4688,310437.6251,431804.5009,405630.7577,328742.3746,1599434.222,365691.2967,181810.3073,486750.884,124919.7726,199968.442,155381.4947,931144.168,212912.7157,62847.51155,73927.97049,483714.1514,515453.2293,18650.19789,418376.1977,267880.3014,282875.5311,101818.5876,261674.7689,2352043.497,788448.0128,213655.4951,64327.39238,1096380.787,206332.6546,367326.9503,143366.006,442464.3491,436551.1476,360956.0063,237640.1642,318020.7958,2069275.119,339463.9534,507263.0082,409156.2965,87710.75425,254249.9767,472456.8891,360333.8926,219868.3098,403384.9376,197766.2742,672682.4508,46941.13659,328742.3746,189494.4509,236183.0923,352111.7362,811521.3742,226035.293,546647.7423,120517.3773,389503.9667,1147275.183,253909.9185,15739165.9,269443.5847,422737.3315,460363.2766,94892.25362,754150.7288,102867.7604,596295.3761,306917.198,0,542175.8661,153062.1191,339904.3279,274668.7728,786680.8634,407550.0636,309821.9351,255696.1649,206701.6797,27749.4214,591157.8309,267751.2414,598413.4136,182190.8733,451267.1924,455776.6298,0,183747.8422,2080102.33,243335.0969,311187.6554,39816.2134,1424621.84,370280.9573,63280.26278,416337.5269,1079560.921,222340.8113,609635.9846,451227.1433,88621.84989,232085.3873,593239.8561,752846.0803,346297.0938,1245412.674,240027.4237,2910793.815,697091.4852,92625.19481,405822.2811,798054.3958,908073.9691,365594.8714,528576.0084,229574.2453,101084.4592,1602204.324,261308.7708,259136.4131,893816.5786,91264.8851,25328.65641,163097.5133,175143.754,127077.7536,114025.5044,94092,182079,286770,301612.4832,221.6549975,182079,221.6549975,true,true,"6-Acetyltetralin","774-55-0","C12 H14 O",93,87.3,100,902,972,100,1.03,true,true,"w11n17main1",118081,1515,"UnspecifiedColumnType",22,1.5,true,true,"(E)-3-(2,4,6-trimethylphenyl)-2-propenal",0,"C12 H14 O",92.9,87.3,100,900,970,100,1.03,true,true,"w11n17main1",117982,1528,"UnspecifiedColumnType",35,2.3,"6-Acetyltetralin","774-55-0","High","774-55-0","CAS-RN","DTXSID0047163","6-Acetyl-1,2,3,4-tetrahydronaphthalene","VEPUKHYQNXSSKV-UHFFFAOYSA-N","1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethan-1-one","1.19E-04","Y","-",51,"CC(=O)C1=CC2=C(CCCC2)C=C1","-","-",27.227,288.988,4.74242e-05,1.038,0.737,1.34276E-5,128.959,59.501,0.488,0.008531,40.904,132.155,1.09648E-4,7.70903,0.00872971,0.000774462,1.26383E-11,53.8585,3.54483,266.369,4.02065e-05,0.128453,6.82859,356.432,2.72661,48.6717,0.000877456,6.05787e-05,"-","-","-","-","-","-",0]
[108119404.1920058,493,false,0,"Dibenzofuran",168.05734,14.147,1388407024,168.05679,14993760950,97362084,"C12 H8 O",168.05697,168.05679,93.7,90.2,94.2,879,896,1524,2,20324.07208,1493470.306,620773.5641,68951350.28,31453382.11,77394165.32,126589938.4,101235684.5,38726673.05,112750055.6,64985436.75,110889681.8,59778378.13,54645857.27,54356654.12,61410915.49,8661661.134,95434440.79,40881478.16,155951765.6,55970359.46,151574207,51395945.08,35973346.85,75193929.05,194753736.9,78228308.67,190381193.2,67480762.68,111631782.1,98495545.14,337857500.6,97028834.46,54778933.03,4335485.27,57052601.68,39687205.01,43977899.14,143081914.8,66968393.51,31358578.59,50782376.64,26306783.01,86089507.14,45624.5455,121210930.4,26637219.8,68317658.92,27321415.36,82580609.48,11957544.63,117527453.9,65915.78067,30661709.76,132262826.1,118147588.5,65619128.11,56945064.2,104075566.4,64933267.08,107657126,120439786.6,65414098.2,230030009.7,71666980.59,310299043,131325256.6,27921583.38,32411426.63,58891580.49,106004155.8,40324786.24,116621325.6,63656786.76,152240846.9,77557731.77,61719700.34,53949457.05,73693194.3,63082097.42,163710683.1,57186040.49,89555528.24,31306148.41,65732011.73,144544295.6,84213540.62,151959441.7,46302759.15,96974173.04,1436440.943,55025580.81,172391480.2,43362185.27,470614.1954,25502648.54,200971866.2,110766638.7,33381803.71,62089482.56,201847630.4,125546393.9,58907690.14,51889143.5,49820391.43,233845529.5,251138.5778,3111847974,91206413.07,146331897.9,395588.6465,81729922.4,89995956.5,66968393.51,56725327.59,296069323.9,108451423.1,180974280,2231466.141,424303202.2,0,47554143.75,76044229.97,100125957.5,37406252.2,213485755.9,95263823.61,26023146.95,61654685.05,0,2918412.033,71824925.06,198018413.6,48888686.54,429867883.2,179313348.8,30268031.5,70900506.28,98916623.71,78902015.66,4277837.353,100985147.5,57582718.76,146920385.5,202192189.6,63036280.74,77129911.93,133396536.1,4989945.633,46574622.13,61985932.99,31003740.02,60687714.09,43968635.87,22295718,36465277,64491041,53624148.17,215.8019936,36465277,215.8019936,true,true,"Dibenzofuran","132-64-9","C12 H8 O",93.7,90.2,94.2,879,896,100,-1.03,true,true,"gc-orbitrap contaminants library-2017-09-18",16,1526,"AnyColumnType",2,0.1,true,true,"Dibenzofuran","132-64-9","C12 H8 O",93.6,90.2,97.9,877,943,100,-1.03,true,true,"w11n17_w11rep",12240,0,"None",0,0,"Dibenzofuran","132-64-9","High","132-64-9","CAS-RN","DTXSID2021993","Dibenzofuran","TXCDCPKCNAJMEE-UHFFFAOYSA-N","Dibenzo[b,d]furan","1.65E-05","Y","-",134,"O1C2=CC=CC=C2C2=C1C=CC=C2",12,"Y",559.758,259.92,1.05682E-5,1.236,0.623,7.37904e-06,133.876,98.422,0.483,2.65461E-3,"-","-",0.000116145,"-",0.000391742,6.03949E-5,3.93331e-12,1504.31,13.0714,287.001,1.11984E-4,22.3427,6.90406,8106.43,4.12062,86.2969,0.00245586,2.06525e-05,"-","-","-","Y","-","Y",2]
[1799221.1663965837,5242,false,0,"9(10H)-Anthracenone",194.07301,19.495,2683281,194.07246,228685114,1484968,"C14 H10 O",194.07262,194.07246,90.3,87.8,100,757,827,1865,0,1329.464555,4991.716167,0,195974.7396,38148.06393,3409171.255,12281026.96,335586.282,147698.1541,7125544.624,12009501.56,136054.4056,7701800.786,987725.3282,4943301.967,101179.8798,145721.0666,7030579.605,4726073.537,48900.50251,152730.0036,10232513.2,2487994.366,534875.074,57943.24664,1874829.871,364237.8441,6128374.304,2799230.688,636771.264,1561588.203,5783482.769,69253.48184,657957.5948,2004962.575,761986.3694,36890.38895,761300.2011,5652035.557,325601.0101,96169.67166,243738.3013,48686.11734,2090503.712,76564.35758,1423449.082,3955559.195,198328.968,32967.05177,1851721.611,190635.8064,5827101.244,2236917.67,656764.3784,9355569.637,7039772.285,3316664.358,521133.1195,3950858.92,19877.06806,101007.7847,865836.0238,1284205.834,19758.14543,111580.5728,267825.0874,5817604.423,23988.39325,906768.0603,432481.9623,3589339.79,282851.8111,118817.1225,613105.1325,2247462.856,5470.268034,17933.6985,209881.1115,403286.74,1710396.605,2110815.913,761300.2011,1746324.761,543890.8562,1256783.791,352064.9611,875193.8863,34293.54346,767497.6169,467601.0987,2365172.597,174356.7087,2134366.877,271833.71,1610346.167,14472.39669,1552905.413,1480621.828,471691.55,1186044.66,459480.9553,2183279.815,1118202.361,501392.8906,1234224.57,1653302.765,536929.0532,6531615.671,471636.6709,15000650.93,242050.0507,1423849.422,1039433.245,224384.8677,614785.7914,7186380.31,1620866.462,1603468.455,0,2294326.294,1451243.177,497635.4626,528380.6847,1927078.05,781684.2626,644946.0841,1877467.293,500476.8457,451003.4744,1594296.928,1982051.007,1066061.955,3585386.239,31153.21559,5585515.936,3809699.383,216317.7209,598495.195,2113918.243,1445545.84,740916.1396,27876.77825,22506.25197,414340.2653,3521108.533,61492.52585,923137.2635,1317612.826,294163.2911,165551.6764,11698.58824,822806.2573,75622.42211,66236.49073,72415.75,306420.5,814292.25,612349.0467,145.8401055,306420.5,145.8401055,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"9(10H)-Anthracenone","90-44-8","C14 H10 O",90.3,87.8,100,757,827,100,-0.79,true,true,"w11n17_w11rep",14801,0,"None",0,0,"9(10H)-Anthracenone","90-44-8","Medium","90-44-8","CAS-RN","DTXSID1049431","Anthrone","RJGDLRCDCYRQOQ-UHFFFAOYSA-N","Anthracen-9(10H)-one","1.37E-05","Y","-",63,"O=C1C2=C(CC3=C1C=CC=C3)C=CC=C2","-","Y",86.2979,325.834,3.99945e-05,1.183,0.54,1.79061e-05,159.212,144.702,0.477,0.0131522,"-","-",9.07821e-05,13.8995,3.41979E-6,1.6293e-05,2.61093e-12,51.1998,22.613,338.354,1.24862e-06,0.220367,7.38282,7113.66,3.65895,154.832,4.81846e-05,6.48197e-05,"-","-","-","-","-","-",0]
[27792375.204257417,1277,false,0,"2-Butenal, 4-phenyl-",162.14091,10.078,1937687,82.03687,4327482904,28100538,"C10 H10 O",146.07262,0,67.2,91.3,97.2,532,623,1296,8,91915.98085,162104.7259,52461.12501,11489080.55,0,15968225.57,15834663.18,26789012.72,12131065.91,10932490.37,94807375.53,19554380.39,10372876.5,5577746.182,66354620.4,22958304.89,19859195.36,14698583.67,37318254.47,2480504.799,17625304.31,27589539.62,13701632.43,9163169.153,0,16748010.34,9920748.09,15463000.18,15266623.43,7563765.509,16197282.28,8857815.375,7706300.036,17838117.41,28391017.03,130519331.4,5437855.508,16022822.92,39741366.59,11394910.16,0,6637813.451,51725593.95,342452.3699,47001.97267,18516434.83,533454270.6,21584291.26,158600.3233,14989885.41,26861084.52,17589172.46,30375119.02,11441258.65,33989651.46,13347426.36,0,17520918.62,15313314.38,5515230.669,12650255.02,20501250.22,46106761.97,19435648.48,12008580.19,17748001.87,102013812.6,5978202.724,9836599.087,14396777.18,15219932.48,11301629.66,20303665.6,23678961.22,25229551.32,7063342.58,12352665.07,6673170.464,16611135.44,15266623.43,10054870.65,9673739.399,31148278.81,17284612.79,29184177.17,12486848.18,297668005.3,156439208.7,10451477.12,18932656.55,20059726.11,10752655.56,9156846.244,13974077.76,13352164.62,51104816.93,12357863.2,26579723.19,0,8386153.546,221844274.6,10183662,5490693.964,13767165.59,18675997.29,21447252.98,21599219.93,20753117.19,11509734.83,18055335.28,15768786.08,14857029.09,17368065.77,10768369.09,17037322.85,45192886.32,195430847.9,12599757.79,10053448.23,13791199.25,9729875.777,8732692.034,14588500.99,15702022.59,33403949.07,20505488.74,36006311.13,13341490.37,9795067.746,16209131.45,62133116.93,13199008.35,16164913.4,5737303.397,31301094.3,91673325.02,1386812.313,9878026.028,10528466.42,17820915.38,7711561.117,30361530.24,11697615.76,45604850.94,16277135.57,32477552.3,14831224.26,17280207.24,5459399.011,21897090.49,3530692.184,14634916.03,25744222.24,0,701708,1036166,1495030,1984723.283,199.6662843,1036166,199.6662843,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-Butenal, 4-phenyl-","13910-23-1","C10 H10 O",67.2,91.3,97.2,532,623,100,0,true,false,"w11n17main1",56557,1288,"UnspecifiedColumnType",8,0.6,"2-Butenal, 4-phenyl-","13910-23-1","Low","13910-23-1","CAS-RN","DTXSID30711314","4-Phenylbut-2-enal","WLNLUFZWBZXINT-UHFFFAOYSA-N","4-Phenylbut-2-enal","1.05E-05","Y","-",3,"O=CC=CCC1=CC=CC=C1","-","-","-",237.746,9.52796e-05,0.998,0.694,3.10456E-5,103.129,32.962,0.474,0.0134586,27.684,146.615,1.36458E-4,1.99067,0.0494311,0.0118032,4.16101e-11,15.7194,3.55934,252.332,2.23181E-4,0.555046,5.22604,100.058,2.09668,31.7545,0.0240331,0.0198544,"-","-","-","-","-","-",0]
[9122175.12858477,2051,false,0,"3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile",210.11548,20.594,11073680,130.0733,2066309184,13417592,"C14 H14 N2",210.11515,210.11493,91.9,97.6,98.8,642,649,1943,35,0,0,0,6395748.402,2966897.154,20239047.47,1160954.906,36877842.71,1381825.978,53104873.99,76527207.16,3190465.857,1138694.379,2064985.813,1966775.819,3226670.905,1634997.632,284305.9665,77913049.16,7556987.268,5754077.32,2429591.938,11594205.01,2457582.395,1250443.236,316028.4843,2604968.377,1384549.365,488099.2718,4217046.084,1208186.961,2785932.765,623616.1598,4749559.72,401769.5657,6329879.069,1765800.12,234613.3017,27168012.67,794776.8211,5696780.205,247769.1878,6380828.318,35055257.84,11440281.69,4749317.932,53955982.55,2334328.303,5123523.247,1809619.134,64221024.67,74411248.36,547558.9204,17874890.92,30767776.26,2015411.884,2490448.941,1019841.248,889052.5175,16871665.03,463687.5733,988460.5358,1306541.837,953431.9826,0,9024109.231,7844389.315,3428193.467,205149.0134,12788907.38,3081416.59,14825748.15,3843223.089,4263947.059,66117892.26,2343628.495,20919344.59,164057.5388,1589565.019,834123.2396,259423.0389,0,14888595.76,6068159.932,10623178.51,1634379.584,1080668.982,2499823.138,2122824.217,508961.6702,3488237.649,884411.6402,5250773.239,12337184.68,3495588.603,18379524.38,702107.9837,3173170.515,2339703.61,2933188.124,888205.2575,3427946.701,2785932.765,2195926.828,4710254.974,205524.7948,6058734.959,15245156.41,1273303.355,1545433.042,2493469.814,15504802.6,3034303.12,1345290.196,11016065.25,8896183.1,2248226.481,6223037.596,827434.6359,759020.1853,8736694.052,3448016.178,17174533.34,28575735.51,474316.5545,512442.0842,596578.6548,40582966.73,4451774.512,732319.4776,1193267.34,14647489.86,196984.9598,133491.3127,1189905.3,228337.5078,1789705.4,1460146.048,3233163.506,2687425.003,2884440.527,6222909.228,28437971.35,1867056.764,95475.8134,38116983.99,1007713.315,31970533.66,893458.9819,10651002.75,45716416.17,17974099.73,5516569.147,1615869.612,161219,324830,1455337,1583770.215,190.5038933,324830,190.5038933,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile","57964-40-6","C14 H14 N2",91.9,97.6,98.8,642,649,100,-1.05,true,true,"w11n17main1",224575,1978,"UnspecifiedColumnType",35,1.8,"3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile","57964-40-6","Medium","57964-40-6","CAS-RN","DTXSID90872319","4-Cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile","JRUGFHHEKLYFPC-UHFFFAOYSA-N","4-(2-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile","3.06E-06","Y","-",12,"N#CCCC1CCC(C#N)C2=CC=CC=C12",3,"-",67.6083,326.416,9.35406e-07,1.097,0.733,6.26614e-06,191.667,65.051,0.467,0.00696626,45.052,"-",0.000145881,11.5611,4.12098e-06,0.0033266,4.31321e-11,70.5178,3.5484,307.399,6.6086e-06,2.35628,8.41279,276.097,2.03374,126.709,1.45553e-06,1.5738E-3,"-","-","-","-","-","-",0]
[1293745.692271835,5254,false,0,"Benzene, 1,1'-thiobis-",186.05015,15.305,533787,184.034,226164205,1468599,"C12 H10 S",186.04977,186.04961,68,35,100,701,833,1593,0,59204.63704,49059.4116,26061.0246,1245702.581,385812.1985,0,1306992.966,522635.3117,1006647.891,403265.9245,0,877184.8453,1147034.854,501763.9451,834784.1705,1246626.833,13255064.47,361562.3545,944159.113,454345.161,25831242.97,219102.3535,694360.6552,519836.4494,975022.3135,455700.2072,1533102.918,2070284.425,439578.1024,112383.6442,762305.2934,1192509.824,595481.0156,1549055.294,828456.0704,2921327.356,482226.7379,252091.7836,672391.9288,588657.3331,961360.3708,234917.2371,931255.3057,2366252.661,764572.4129,794583.2214,830626.4851,1792802.738,1693892.616,166719.4738,1326018.669,1172457.11,557751.3526,177862.9592,1231912.187,451251.05,2306712.183,235509.3238,1236368.513,717976.0258,833955.371,269837.4573,1788653.653,336922.7895,1455642.171,631091.0362,1790740.218,408020.9521,157470.1938,633874.9038,811168.7999,406949.6172,1568432.771,527147.9714,1921071.773,304878.7738,892258.2348,6868.063447,1112051.69,745645.7114,887449.4335,787625.3513,4984926.059,776596.3443,593306.5882,817168.4361,218713.6926,379895.3028,999540.3937,764572.4129,836415.2102,702906.3811,757149.0428,525620.8781,818221.2049,2429562.983,592639.4489,0,2058440.754,822478.5559,1237689.819,3289578.726,7913408.926,787953.1364,12800442.91,455941.4629,0,1640653.485,370235.281,354181.5201,305858.273,250585.9803,280865.6176,354567.1497,656030.5164,794411.6825,1768436.872,353500.1385,643305.4129,1932707.44,775907.6946,934566.9662,698493.759,0,564406.304,861701.0126,0,1632164.998,905689.8808,816544.8098,1477770.543,1794846.373,0,5700291.585,419997.7614,1158464.064,378886.7777,254548.3006,0,3432934.728,1054085.854,216372.9902,739182.8842,753237.1311,0,2019650.756,896443.6657,1641214.731,298623.8521,711918.1075,545873.4217,502005.9101,2434597.772,1049410.736,131323.75,210335.5,383029.25,417347.2183,232.2136084,210335.5,232.2136084,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzene, 1,1'-thiobis-","139-66-2","C12 H10 S",68,35,100,701,833,100,-0.89,true,true,"w11n17_w11rep",14235,0,"None",0,0,"Benzene, 1,1'-thiobis-","139-66-2","Low","139-66-2","CAS-RN","DTXSID8044383","Diphenyl sulfide","LTYMSROWYAPPGB-UHFFFAOYSA-N","1,1'-Sulfanediyldibenzene","4.36E-04","Y","-",73,"S(C1=CC=CC=C1)C1=CC=CC=C1","-","-","-",322.318,"-",1.16,0.661,"-",146.17,48.967,0.466,0.00864968,"-","-","-","-","-",1.06414e-05,3.05923e-11,541.818,38.3603,295.955,8.14576e-05,3.80951,7.25078,1604.52,4.4487,-25.1855,7.55048E-3,1.46162e-05,"-","-","-","-","-","-",0]
[13077462.694752978,1965,false,0,"Bicyclo[4.1.0]heptane, 7,7-dichloro-",166.07825,16.706,12452532,164.06187,2215073887,14383597,"C7 H10 Cl2",164.01541,0,36.8,18.6,0,806,847,1680,0,694752.1452,2817213.237,378593.0773,114973991.1,2180704.105,12920490.28,2149680.555,10810344.33,2773539.496,18096722.08,16200435.34,26285754.87,4059700.657,22324336.62,10716560.21,28195817.19,8848259.465,16929466.58,14999156.74,19156818.94,3235637.763,20406288.85,9536487.468,6002836.187,3553062.9,532405.2244,4069172.159,11140628.87,4983620.035,11648433.84,17480498.77,4700704.08,10763452.27,21427033.17,5811888.488,10820179.95,5371135.394,577892.3333,20953917.94,2939069.622,9171400.753,11914858.48,9669172.845,5375001.138,14455261.22,17569011.79,32094516.72,3073935.589,6897724.713,13694721.68,23277842.98,4759940.097,5680725.663,11000242.01,20049080.41,3665988.094,2964121.67,12491070.26,15633566.82,1903596.004,25549596,12057493.44,15217020.38,4266857.526,29699639.29,100538313.4,9245066.869,2693377.934,5434907,19318278.12,10526662.52,2312349.878,18197204.09,18623929.83,12559053.16,2710386.768,22240534.76,17590334.57,18409085.6,1634079.044,7941978.319,16529358.74,30316961.19,2498679.14,13365642.99,12840274.23,6309716.464,3634541.567,9652113.37,18265820.87,1719296.001,8097595.154,47320313.05,11292683.84,3562655.209,6326943.961,12491370.54,1459765.279,6569066.491,7962086.726,13248565.57,33927292.9,9062137.234,14144852.26,5533394.93,13831139.98,5557001.34,4731066.797,18163669.62,12186161.21,10763452.27,8997263.929,4757687.081,18351917.44,10178793.92,3268936.061,11062194.03,3289643.652,4549192.473,38838912.79,14382108.97,5014121.008,15981730.16,5090671.844,6432081.458,11257205.99,66722235.01,3199766.353,11435103.96,5298457.4,2828176.696,8824705.6,12685996.77,6888696.425,22534686.35,5564058.352,20510190.28,21493204.68,12936113.44,4418370.338,10464710.51,11985924.23,2954204.606,17356389.91,11912286.24,6044986.894,19495683.35,15841769.29,13509192.62,15486996.55,7729299.198,6429234.628,12238516.41,5407779.783,1558630,3135389,5099044.5,4265673.934,130.6455119,3135389,130.6455119,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Bicyclo[4.1.0]heptane, 7,7-dichloro-","823-69-8","C7 H10 Cl2",36.8,18.6,0,806,847,66,0,true,false,"w11n17_w11rep",11611,0,"None",0,0,"Bicyclo[4.1.0]heptane, 7,7-dichloro-","823-69-8","Low","823-69-8","CAS-RN","DTXSID90288315","7,7-Dichlorobicyclo[4.1.0]heptane","MBPSCGRETWPLSI-UHFFFAOYSA-N","7,7-Dichlorobicyclo[4.1.0]heptane","3.15E-06","Y","-",6,"ClC1(Cl)C2CCCCC12","-","-","-",156.946,0.000143219,1.15,0.432,2.90402E-5,49.114,-9.851,0.466,0.00529663,34.479,108.525,"-",1.1298,1.6788,0.000977237,3.89542E-12,27.0131,18.7747,184.542,0.000535582,0.887559,4.31337,1473.12,3.29736,5.74759,2.56007,0.00078378,"-","-","-","-","-","-",0]
[9282155.512889398,2603,false,0,"Benzaldehyde, 2,4,5-trimethyl-",148.08881,10.302,1036204,148.08826,1374029217,8922268,"C10 H12 O",148.08827,148.08826,69.4,45.4,97.7,561,885,1308,0,20275.39816,481597.748,574516.8214,6453908.196,2853080.535,5120465.847,4972975.805,22779336.25,2851193.035,5999390.198,4482033.075,6955758.266,4007258.589,7660301.725,1477832.072,6319984.057,642143.5167,3676488.294,0,8343608.802,3197746.042,8647126.812,25351829.89,8322701.729,7144901.816,5085800.105,276638549.8,4695998.165,1948890.284,0,7399940.832,8438599.443,2361748.871,10079729.05,12095956.38,3805055.295,4118168.179,5559928.022,15421207.03,12503176.03,2859860.493,10819619.74,9983528.318,9001146.094,1047998.91,4212822.333,11059698.17,5953866.022,5540888.982,3156745.244,0,5309550.293,8306262.774,1994702.396,4508055.369,11446693.6,2762819.724,0,8671261.599,2267862.915,141756407.2,6255212.806,18271921.2,5346280.624,10083054.06,3604114.852,8305672.094,4442298.509,1720701.615,5578967.063,8878848.285,7799850.095,6048944.061,6460113.342,7249355.254,23987406.59,3715616.057,3402358.289,17400230.52,7034501.3,3664325.39,5575941.851,16751329.38,5106660.025,4985863.576,715319.4923,12873676.17,12860588.01,2294478.47,4744474.632,14142031.85,16036734.27,2727238.64,8805875.447,22426272.84,14780172.7,1923065.961,8761568.412,6272216.351,2828673.618,4776122.514,13374050.28,4154234.602,4542835.427,4114541.125,4969884.912,1262370.713,1504258.991,4978408.742,1332692.307,11620216.09,250932.5391,8108215.473,5559928.022,732308.2921,8514958.252,3505440.768,1409408.273,8751548.644,4485576.621,7442144.899,6726221.53,5565833.59,1278974.603,7450557.081,6366210.609,656724.2041,9249930.103,4555169.944,1281790.621,7113442.005,5554022.455,6254305.263,16329759.25,2483970.427,13694091.52,11773934.63,4398674.65,7510195.689,11723838.2,4420548.119,1862204.312,13411108.57,0,7206056.727,11533389.25,6694832.789,1381651.658,4485262.734,6521683.526,5240601.394,4664339.985,1525591.455,5365932.152,476423.25,709401,1041418.5,1195219.87,262.926777,709401,262.926777,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzaldehyde, 2,4,5-trimethyl-","5779-72-6","C10 H12 O",69.4,45.4,97.7,561,885,100,-0.07,true,true,"w11n17_w11rep",8940,0,"None",0,0,"Benzaldehyde, 2,4,5-trimethyl-","5779-72-6","Low","5779-72-6","CAS-RN","DTXSID80206482","Duryl aldehyde","LROJZZICACKNJL-UHFFFAOYSA-N","2,4,5-Trimethylbenzaldehyde","7.85E-06","Y","-",18,"CC1=CC(C)=C(C=O)C=C1C","-","-","-",243.682,5.83445e-05,1.01,0.596,5.54626E-5,91.382,25.253,0.449,0.0108143,36.522,132.184,2.1677E-4,2.56448,0.0422669,0.00401791,2.661e-11,6.92788,6.41467,238.444,4.6979e-05,0.161668,5.21905,358.716,2.23566,-3.15938,0.442384,0.00147556,"-","-","-","-","-","-",0]
[1399352.781612516,5488,false,0,"Pyrazole, 1-vinyl-3,5-dimethyl-",122.08443,5.035,6066491,81.05739,181473197,1178397,"C7 H10 N2",122.08385,122.08389,96.9,99.4,100,857,861,959,24,10736.66126,10098.60014,9897.209069,101330.4794,185115.5227,2556391.492,11705647.44,95226.08914,1784756.675,2930470.207,94399.87468,307545.21,50947.89202,77404.74833,137730.3993,228853.9063,18698.53764,87460.27306,196848.9675,42996.14021,36026.54895,334598.8601,159045.5327,0,15078125.88,97188.91077,86088.24725,0,119530.4394,58266.11768,7031969.323,0,27377.47782,267430.6193,71728.46159,132230.9947,44419.31019,12528269.77,282873.4095,1535032.521,4318068.481,71304.22593,4592428.623,86907.12433,23681.73247,195971.3842,40200.62722,100661.8959,90447.52664,326369.6516,106662.5377,190759.1026,86844.03389,602846.9615,15749335.55,279933.8943,134306.7372,63694.66537,97935.61564,75121.02868,128780.7225,129317.5031,43924428.03,74283.36847,5796174.996,679818.4706,223193.3625,49258.0931,110280.1562,80192.19252,412412.7524,110072.5069,160673.2097,377217.4447,298794.8419,119108.4764,114775.7714,388031.2805,223208.3084,32102.28225,42632.97077,5468347.069,222547.325,55862.75152,290635.9715,76369.78503,5576981.854,34350.9129,6314086.843,197680.9266,354652.9969,49918.49731,22622.36431,58540.69964,185484.4496,13337.33995,401512.0327,4881933.429,62042.34893,93078.23234,119530.4394,140258.1071,77791.95659,115009.276,0,55637.52074,179954.8039,5402800.313,57940.39064,374672.7964,72555.57057,168985.6048,80388.08617,123517.484,179328.3782,353179.0164,27601.04882,2094532.61,23863.70473,127542.0674,111518.8113,34722.11074,56581.93339,250148.9685,22271.51987,195653.2566,8575927.121,96573.76864,108512.1215,283231.2242,101325.188,55839.14492,136006.5624,53969.60615,9188770.079,535297.4016,26158.80843,173024.6436,4187289.288,54939.47814,67585.08348,179474.8557,35464.89921,64143.29467,245108.061,82406.18365,295632.4114,11994716.36,89359.96649,233546.7361,22932.83563,188571.1976,49654.15248,170573.5283,63206.5,125104,290284.5,1274807.449,282.645211,125104,282.645211,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Pyrazole, 1-vinyl-3,5-dimethyl-","15967-75-6","C7 H10 N2",96.9,99.4,100,857,861,100,0.29,true,true,"w11n17main1",23295,983,"UnspecifiedColumnType",24,2.5,"Pyrazole, 1-vinyl-3,5-dimethyl-","15967-75-6","Medium","15967-75-6","CAS-RN","DTXSID90342128","3,5-dimethyl-1-vinylpyrazole","PWHCXMAJNAYEOR-UHFFFAOYSA-N","1-Ethenyl-3,5-dimethyl-1H-pyrazole","7.35E-06","Y","-",3,"CC1=NN(C=C)C(C)=C1","-","-",6.82339,199.919,0.000446684,1.015,0.466,3.6141E-4,84.435,23.254,0.384,0,"-","-",0.00206063,"-",0.171791,0.0489779,4.50153e-11,7.0928,4.56396,170.869,6.40451e-06,0.335049,3.90223,52.301,1.60765,20.7321,2.09347,2.37498,"-","-","-","-","-","-",0]
[54655324.91337747,812,false,0,"Benzothiazole",135.01428,8.898,368201867,135.01373,8320148516,54026938,"C7 H5 N S",135.01372,135.01373,97.7,97.6,98.6,933,957,1232,24,4746196.888,5832979.557,4344782.422,81953480.48,30872731.64,43944672.32,42978061.34,29198421.71,20965961.08,32005034.87,17481926.56,47343980.56,15194914.35,27389358.6,154891429.8,59509537.3,65698108.99,19729257.74,97682520.26,32230240.78,38649685.61,25275519.46,130210183.6,30867660.92,39701937.01,47537073.27,95014636.03,52382854.24,16094465.18,36017196.09,85604589.82,36788733.39,29985828.87,30380876.58,50975221.83,49549388.63,27081418.15,39921356.07,127335096.7,49793170.43,81205814.71,19632315.7,34673601.75,39175811.31,48173734.83,33100747.23,56010483.97,38323837.46,68275541.03,29353028.39,179037058.1,34161645.95,37023894.24,17012787.66,160530836.4,49438462.13,27956031.39,31428573.26,113877436.1,21329414.42,52000453.7,31220391.52,158512879.8,45854979.78,86455253.09,35729831.42,106140098.4,30363730.09,32103763.75,27509552.51,136887122.1,40027785.16,48052973.36,46761777.03,82757811.91,43291250.16,74596676.91,20406206.77,90230655.92,21919965.11,56638971.38,24193723.36,203589814.1,31081777.12,39646819.65,39175811.31,148634769.7,30671304.65,41832565.29,26675750.4,78721295.5,32653598.63,43782894.4,25148290.45,99579943.78,29951910.25,14950295.03,142496659.1,31862743.02,41612004.33,37534826.57,96742486.78,36364249.68,72142931.69,28079218.58,25316909.18,118034320.8,15663420.31,21394692.23,50034443.48,24932378.52,58379319.28,19786036.74,29021884.4,76796639.04,26684828.64,35139865.26,201110913.7,28464473.11,21249692.86,146486575.3,42343148.68,25327153.9,244869382.2,29468638.74,29334294.13,93299249.83,42162266.93,26489307.27,81506835.33,28783254.8,49240301.58,59603835.79,47179221.14,22373273.46,51867360.79,33695789.02,18375815.63,49893182.63,28772391.09,34573492.73,63426739.1,39697924.75,36500045.57,91885472.36,41772474.94,86840702.07,89706993.16,28663709.93,32513938.33,38653697.87,30112637.99,67522494.75,25457243.05,43838844.5,61059655,97593636,85725647.81,75.73785705,61059655,75.73785705,true,true,"Benzothiazole","95-16-9","C7 H5 N S",97.1,97.6,98.4,901,916,100,0.08,true,true,"w11n17main1",37854,1229,"SemiStandardNonPolar",3,0.2,true,true,"Benzothiazole","95-16-9","C7 H5 N S",97.7,97.6,98.6,933,957,100,0.08,true,true,"w11n17main1",37856,1208,"UnspecifiedColumnType",24,1.9,"Benzothiazole","95-16-9","High","95-16-9","CAS-RN","DTXSID7024586","Benzothiazole","IOJUPLGTWVMSFF-UHFFFAOYSA-N","1,3-Benzothiazole","1.66E-04","Y","-",156,"S1C=NC2=CC=CC=C12",3,"Y",12.0226,227.42,2.07491E-4,1.264,0.452,"-",80.289,31.405,0.373,0.00320627,"-","-",0.000959401,2.97852,0.0316957,0.0119674,1.65914e-11,7.5876,8.45454,230.987,9.62728e-06,0.137998,5.07535,534.463,2.01051,2.21419,0.0160683,0.031616,"-","-","-","-","-","-",0]
[30403188.050524022,1254,false,0,"Î´-Cadinene",204.1877,14.126,28430090,161.1324,4442909092,28850059,"C15 H24",204.18725,204.18715,82.8,74.2,99.4,656,860,1523,0,436878.5538,1642550.093,457333.1368,14432871.73,15654357.31,15317837.7,13053130.3,10682148.16,15930196.24,30185089,107957288.9,20061525.96,19403539.19,25217554.31,108032805.6,27368062.02,41391722.62,16348034.81,15135791.83,27500944.37,14444567.39,36418526.17,35762244.38,20006533.61,21803566.8,33571363.89,73459329.4,20932546.38,6713187.685,7820698.04,82355214.42,9267967.807,21341230.98,18500351.65,21223056.11,48111831.24,19620571.9,19559196.43,73224213.02,4795186.269,15787564.59,64754816.65,103871757,18265170.11,21956285.1,51523353.46,213945953.6,7968167.593,53697741.13,126678710,129715478.6,15494590.86,8891518.408,19437093.37,200289419.2,12880995.13,13854266.62,24052640.76,42172964.52,3889259.293,11457949.84,43183978.21,53522419.52,12613659.12,22427999.38,29203802.36,32376782.49,5604733.166,17627042.95,24877232.92,16822088.45,6865949.481,11931951.33,31181542.97,17357379.49,13229351.83,17186230.27,17976590.09,20155956.48,4575410.023,14076050.77,27054186.74,26925815.33,26411806.24,23504590.95,28269362.17,35179021.84,57566393.53,12646197.21,20932546.38,42573974.81,87906859.34,49808817.25,18180187.8,56618240.94,36543473.93,35044539.32,22386814.07,5790987.552,9517270.878,42320099.79,40305301.13,12414486.84,42792617.01,24327725.49,85020917.27,127980.6853,18244254.01,18002900.9,14014226.44,14920037.45,1109389.748,40591848.43,13715373.45,15190322.14,42191338.6,11593808.45,254117.8787,24530598.12,22243225.1,4715816.465,33846609.43,18894828.28,14992018.49,49090577.07,17989023.13,143725.0179,23268345.79,12041699.46,3299420.202,29235554.85,22267731.1,10268688.7,57797805.92,16735416.76,49562.23723,33307091.19,14174262.49,19171196.56,50178246.64,11647302.72,19621867.66,38387212.46,14805710.43,22458141.74,35954550.62,25559148.89,23030364.68,10705201.91,31129760.3,39842375.58,31507749.98,46945764.25,15060838.66,3775138,5958043,9998593,8369972.113,96.48846174,5958043,96.48846174,true,true,"Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1Î±,4aÎ²,8aÎ±)]-","523-47-7","C15 H24",80.8,74.2,97.9,557,666,100,-0.51,true,true,"w11n17main1",204616,1518,"SemiStandardNonPolar",5,0.3,true,true,"Î´-Cadinene","483-76-1","C15 H24",82.8,74.2,99.4,656,860,100,-0.51,true,true,"w11n17_w11rep",15711,0,"None",0,0,"Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1Î±,4aÎ²,8aÎ±)]-","523-47-7","High","523-47-7","CAS-RN","DTXSID0024713","beta-Cadinene","USDOQCCMRDNVAH-KKUMJFAQSA-N","(1S,4aR,8aS)-4,7-Dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene","7.66E-06","Y","-",26,"CC(C)C1CC=C(C)C2CC=C(C)CC12","-","-",2387.81,258.257,2.05589e-06,0.883,0.92,3.04089e-06,96.43,1.286,0.327,0.0316228,29.808,120.673,6.20869e-06,8.85116,0.0810961,7.92501e-06,2.31111E-10,803.777,71.9897,251.006,0.00933148,32.5145,6.9038,5040,5.12936,-11.4996,0.0230173,6.97645e-06,"-","-","-","-","-","-",0]
[15821793.923112582,1945,false,0,"2-Propenoic acid, 3-phenyl-, methyl ester, (E)-",162.06793,11.686,208043155,131.04909,2247666659,14595238,"C10 H10 O2",162.06753,162.06738,97.5,99.6,99.9,881,903,1384,5,777185.4342,833152.4225,1151496.866,7763169.374,3406382.202,62485683.89,1689368.61,7261408.2,2955252.437,5373982.361,8741897.158,14109256.13,15675482.92,33998077.6,10126028.34,7042204.374,5949477.573,5908703.777,6455518.772,2838779.772,1295479.556,5507689.565,7629939.294,3948068.562,2840952.356,6543932.713,10282123.36,30863575.96,2752967.834,10948551.68,6499725.743,18294336.75,3345959.389,29712635.79,4122239.775,8346765.769,314633.8179,86517603.08,11658787.23,5043173.406,4416977.933,5476444.504,520511.4574,9305859.884,0,13784022.18,3462429.382,1317527.195,5349186.702,3026713.894,9870720.523,6666756.649,1355784.931,3291442.576,7534112.82,2770265.749,4517560.553,21655829.55,9938698.948,3653151.601,4499211.909,13903740.08,16215626.41,4234614.156,9893852.052,6332694.837,26767379.01,19233322.3,8063075.863,12423031,7875316.895,4524903.217,6445208.015,19066047.99,66797379,2641721.609,4890843.184,25093459.52,10599562.52,528348.9287,57181621.65,13555492.82,79163333.99,296630.0761,2775311.842,1737902.089,8595442.478,6241810.082,19275874.2,2806485.749,32398645.82,2994391.335,3379834.22,8395830.429,6499725.743,57913470.53,15895176.18,11326263.18,2976791.331,1396455.101,35913862.03,23730282.69,6487731.349,6400581.96,22658020.09,6974215.073,28833737.61,1900435.173,2343627.197,3461223.339,4890430.209,1503973.569,11651067.74,8498985.506,471459599.3,3845088.585,14828917.69,8542818.551,5525581.794,9204950.446,13040892.8,2415266.944,4335606.26,14504172.06,7114463.116,1730088.175,18181236.03,12898949.44,2556754.8,10214038.62,298408.2799,26484650.37,4951243.3,1611563.343,3705347.94,3773151.522,11842981.17,13939646.05,156146997.9,4917860.46,6005584.474,36201223.27,4438938.738,67653297.34,39103048.9,5660771.985,21154262.22,17463923.08,0,4020834.021,2383737.824,1356305.064,6993867.012,2337000.489,1683835,3379228,6442244,7779425.262,245.6291222,3379228,245.6291222,true,true,"2-Propenoic acid, 3-phenyl-, methyl ester, (E)-","1754-62-7","C10 H10 O2",97.5,99.6,99.9,881,903,100,-0.91,true,true,"w11n17main1",87270,1379,"SemiStandardNonPolar",5,0.4,true,true,"2-Propenoic acid, 3-phenyl-, methyl ester","103-26-4","C10 H10 O2",97.3,99.6,100,873,899,100,-0.91,true,true,"w11n17_w11rep",11452,0,"None",0,0,"2-Propenoic acid, 3-phenyl-, methyl ester, (E)-","1754-62-7","High","1754-62-7","CAS-RN","DTXSID5044314","Methyl (E)-cinnamate","CCRCUPLGCSFEDV-BQYQJAHWSA-N","Methyl (2E)-3-phenylprop-2-enoate","2.95E-04","Y","-",40,"COC(=O)C=CC1=CC=CC=C1","-","-","-",266.093,3.6141E-4,1.062,0.617,9.66051e-06,134.364,42.038,0.282,0.0138676,38.172,"-",0.000215278,"-",0.0110408,0.00688652,3.78786e-11,10.4601,4.30577,260.269,5.73386e-07,0.108605,5.1893,103.938,2.61736,34.9733,0.0342378,1.40205E-3,"-","-","-","-","-","-",0]
[11044221.714305628,2396,false,0,"1-Phenoxypropan-2-ol",152.08369,9.162,12810518,95.04468,1582059818,10273116,"C9 H12 O2",152.08318,152.08315,97,99.7,99.8,854,868,1246,0,11554.24707,48471.71994,9339.599541,4526366.478,862934.6117,1880515.575,601631.4164,365127060.3,1281320.252,2259642.936,542725.0254,179519.5413,271616.7467,1822815.847,2168797.928,66888795.15,2774891.72,395398.3352,3413728.571,393466.916,36750.08999,399875.8888,6434160.979,12408.1357,1667198.094,5943607.042,7830675.783,908000.9687,37078.78991,1762834.174,3367434.241,348763.4221,199861.9547,35816234.87,2119516.199,2520840.384,1745006.97,6818903.622,2161913.145,63617.83636,142207.2128,11516883.91,315371.4731,329939.4955,22524.56301,19714572.9,1849509.584,391505.4549,293498.0945,1577866.104,4699069.767,492460.241,136083.733,1640504.357,80793117.53,1388783.292,75334.01585,80542684.6,6117643.891,6201339.862,262964.9483,147640949.2,20048902.21,1221576.927,26133.8406,3533013.606,4146885.95,483148.5593,3801840.656,7274039.046,4033475.561,918690.7364,319321.0358,2054240.425,3384912.655,2475002.651,22613763.38,1277063.092,5424240.634,235015.5553,422772.9405,542909.9507,3716710.324,1221902.346,2413431.424,2242860.76,400544.5542,0,92548.13518,419465.6763,2448353.243,1301361.707,470073.6203,25430094.4,1626102.745,97747.08651,465321.0221,2510987.216,18433309.15,453766.8523,45760234.36,4227933.452,544984.43,1739212.881,1811989.698,530441.8197,1746728.618,0,25368586.94,1745006.97,4780301.839,24054004.68,13917890.27,2016878.542,4494575.595,236958.4938,83964292.05,2819473.772,765328.8094,1357492.365,6385249.15,517424.5937,3429275.015,1207490.095,60870.01168,2012839.61,103246662.5,288501.7017,30404659.32,37533739.09,52919.61605,1239036.059,22917398.81,64518063.49,22812097.04,1061073.04,1031690.003,2145453.257,1477174.331,9732346.045,1316685.141,5858268.351,126065.8775,4054793.529,2772407.168,385879.3009,7391639.46,56685383.53,1122932.754,2950186.666,39614.33731,167757.9357,523526.6698,613805.9355,99453,369488,893802,2119020.973,394.1919215,369488,394.1919215,true,true,"1-Phenoxypropan-2-ol","770-35-4","C9 H12 O2",97,99.7,99.8,854,868,100,-0.24,true,true,"w11n17main1",66299,1246,"SemiStandardNonPolar",0,0,true,true,"1-Propanol, 3-phenoxy-","6180-61-6","C9 H12 O2",96.7,99.7,99.7,839,842,100,-0.24,true,true,"w11n17main1",66126,0,"None",0,0,"1-Phenoxypropan-2-ol","770-35-4","High","770-35-4","CAS-RN","DTXSID9027312","1-Phenoxy-2-propanol","IBLKWZIFZMJLFL-UHFFFAOYSA-N","1-Phenoxypropan-2-ol","9.79E-06","Y","-",110,"CC(O)COC1=CC=CC=C1",57,"-",8.45279,247.954,0.000304789,1.053,0.785,0.000931108,103.709,43.713,0.241,0.0157761,34.894,153.555,0.00229615,7.8343,0.0106905,0.0447713,4.24335E-11,5.02442,3.54734,242.721,2.82319e-07,0.0922141,7.48416,108.158,1.60998,37.6651,0.0119076,0.0726063,"-","-","-","-","-","-",0]
[3650114.06511457,4002,false,0,"Pyridine, 2-pentyl-",149.12051,9.375,8964076,92.04952,558163329,3624437,"C10 H15 N",149.1199,149.11996,83,76.8,100,612,766,1258,56,0,0,0,2781643.354,2210142.26,1480893.948,1148991.744,6067555.723,3755246.772,2903459.93,3974106.162,4160467.54,2571407.318,3150338.536,5222881.477,2938016.851,2401935.014,2840151.809,9597271.704,190108.1917,21376863.65,7680477.233,3343555.146,3892140.847,731654.8293,1332321.578,2586611.829,5595117.617,3574332.18,1664721.428,3406131.534,1069006.203,2315075.325,2105901.679,5706506.054,1530932.337,3100683.349,3505071.96,8693526.556,3161938.703,2920738.39,1149691.309,20483125.2,2626928.843,2902146.832,2073601.218,2137139.616,2400524.571,223503.9413,4505351.491,5376536.943,5417029.783,5008673.648,3774392.287,6088428.476,2702892.445,4476019.347,2299567.51,3186782.08,2308385.677,1856894.805,1807516.441,7013106.687,19598944.7,1353619.424,3098211.241,4180117.754,1923514.715,2743265.54,2027798.468,7480366.603,1820660.43,5506094.037,3170717.14,6627277.057,1038354.882,1966227.987,1933046.036,3438729.296,2966027.107,3424787.807,3242737.304,3852626.162,3337824.297,4164674.112,1124994.901,6200609.546,1606667.925,2791547.256,1372006.708,1478814.208,1444425.201,3812324.998,1961807.751,3973273.759,1910505.484,5191479.888,4203770.634,5663385.42,3018326.401,2367180.392,2270311.786,5446513.785,2061218.415,2852257.312,2072796.49,2134694.289,7375337.541,2920738.39,5339754.567,2055617.679,4621590.43,2125107.855,1732889.703,2791659.723,5447368.259,3058012.274,2992856.293,1289732.185,3548764.746,2604726.267,2579574.404,1845450.371,3214140.886,3310635.832,235231.3607,5032199.75,2848620.487,1510803.588,3754685.887,4475291.825,3935356.593,4184420.103,829546.1501,8314488.157,20548962.58,849111.5126,3120573.294,2431618.084,2649739.209,2671076.572,3399664.535,1510615.613,2415924.532,3472328.022,2633222.696,3831363.311,4372942.17,167620.2536,3137995.292,1570946.159,3492010.295,2376800.684,2179407.153,852661,1217806,1709972,1541238.252,91.59980171,1217806,91.59980171,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Pyridine, 2-pentyl-","2294-76-0","C10 H15 N",83,76.8,100,612,766,100,0.43,true,true,"w11n17main1",60739,1202,"SemiStandardNonPolar",56,4.5,"Pyridine, 2-pentyl-","2294-76-0","Medium","2294-76-0","CAS-RN","DTXSID9062308","2-Pentylpyridine","HSDXVAOHEOSTFZ-UHFFFAOYSA-N","2-Pentylpyridine","7.35E-06","Y","-",39,"CCCCCC1=CC=CC=N1","-","-",21.928,209.31,0.00012331,0.931,0.611,6.79204e-05,92.274,8.788,0.226,0.00820352,31.271,135.702,0.000325837,2.13304,0.162555,0.0109396,3.88209e-11,222.657,3.33932,205.512,3.72666E-5,2.55323,5.24369,167.906,3.48313,63.8774,0.594091,3.97519e-05,"-","-","-","-","-","-",0]
[5202733.189257614,3225,false,0,"Phenol, 3,4,5-trimethoxy-",183.21121,17.207,2691632,184.12451,898268180,5832910,"C9 H12 O4",184.07301,0,34.5,26.9,0,528,735,1712,0,227485.2586,671074.4042,129810.341,2160330.912,2226870.472,1795704.422,1567177.441,3528703.953,6577033.747,2622145.691,5939336.727,6275031.502,4167381.753,1078759.324,3486340.493,15234003.05,4228746.853,1608354.598,1704746.818,4580724.66,7760913.453,2693544.927,4740885.801,8305821.386,5841409.599,1040292.97,1188838.24,4605251.311,5468794.46,546905.5533,5399912.904,3297186.594,992798.6981,24904664.71,759798.9374,1030754.497,3507522.223,714622.0203,6555617.144,4755500.505,8006104.551,328202.3571,1963655.944,5707517.009,5971747.111,929172.6481,3154639.847,3078134.207,3100352.991,607452.1991,19654195.17,27285416.81,3542415.509,865606.4153,20721518.31,3877810.055,8489984.31,2595824.076,2828560.271,3809655.382,5627356.721,653933.5386,1190666.332,3472628.936,5992463.881,5752892.85,1923327.389,3579446.074,1893387.689,580460.1615,8071981.751,4150800.541,11085822.11,1766775.839,3100008.188,3312516.61,3208810.456,726321.6201,10505589.09,3984441.828,3822686.347,3271061.592,25321000.01,3507522.223,15810648.37,2716427.434,3608029.702,10965815.01,7293381.221,15300639.51,4435800.423,13690258.06,28722582.68,1671837.65,2733774.094,19615349.27,2257270.885,6408360.842,3547832.152,2493556.44,2134211.801,4980294.403,1792866.806,2065605.9,5924759.981,2129934.283,3740315.733,12845547.61,1318213.718,3134356.09,1322907.632,3208479.232,3481270.375,2649425.602,3348115.343,4300588.39,2438174.313,3505814.259,3071504.075,7963915.916,3734992.396,2944321.092,1359970.981,2951784.152,5648320.509,2136686.177,4465495.099,2441808.378,1322962,3505558.992,8878693.084,1916307.767,20795501.4,5681319.488,5421755.371,1515135.798,1507491.731,7273155.865,5019594.824,3942468.252,1794332.218,2976308.287,6024564.558,1344729.259,12741569.28,11162825.75,1584981.315,5015761.188,1276828.407,1615283.753,6536624.234,4945307.672,10080881.61,3509230.187,539828,962141,2042526.5,1629933.397,119.2802272,962141,119.2802272,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Phenol, 3,4,5-trimethoxy-","642-71-7","C9 H12 O4",34.5,26.9,0,528,735,66,0,true,false,"w11n17_w11rep",13936,0,"None",0,0,"Phenol, 3,4,5-trimethoxy-","642-71-7","Low","642-71-7","CAS-RN","DTXSID20214405","3,4,5-Trimethoxyphenol","VTCDZPUMZAZMSB-UHFFFAOYSA-N","3,4,5-Trimethoxyphenol","5.65E-07","Y","-",25,"COC1=CC(O)=CC(OC)=C1OC","-","-",24.6604,269.715,8.89201e-05,1.141,0.695,0.000514044,109.42,60.684,0.187,0.00362243,34.496,153.623,1.32434E-3,6.09537,4.02717e-05,0.0137721,3.21282e-11,7.52761,3.81546,291.011,1.44669e-07,0.111754,7.74083,650.498,1.39542,72.209,8.72699e-06,0.0185327,"-","-","-","-","-","-",0]
[4307754.353218874,3831,false,0,"Isoquinoline, 1-methyl-",143.07355,11.263,28228930,143.073,616025335,4000165,"C10 H9 N",143.07295,143.073,85.6,76,94.9,759,830,1361,0,8905.841504,0,0,5877497.253,1444487.046,2728443.364,6578810.839,11380424.45,2184233.109,4963015.29,0,4847342.488,2509281.335,1370391.978,689399.886,4678865.205,2427144.029,406378.3647,2761664.824,5154807.212,9402085.39,0,2118015.901,4574316.11,7124603.536,3065903.33,3791728.814,7251732.52,5161650.458,1138127.62,3379846.168,10425975.78,4477738.919,1371868.104,3181449.115,2652117.616,2913784.077,2583560.014,5643796.295,1906748.523,72613.9637,664999.4882,5205541.154,10508125.12,35982.01953,2549828.169,3026486.863,2563114.22,40248.79076,5275539.314,3869708.288,17101157.37,2801081.291,2723963.493,14197117.06,5087083.175,7402173.27,2188878.461,2371115.573,2451908.676,4240006.889,2569909.324,2694865.931,7942805.861,3971182.225,7789479.271,8835263.271,2749299.713,1061959.079,0,4889192.82,1900534.47,6695156.369,3425236.43,9844840.583,1110628.65,1606396.776,0,572357.13,3685194.525,3106147.621,3222328.633,2097647.654,1490115.647,4832579.889,41678.43406,2989363.908,4308114.413,2913784.077,2439490.906,3903970.762,3582547.239,3667788.297,2022660.512,162985.4036,1726986.913,5298445.266,0,3561358.616,2314639.818,4974835.202,5902172.851,2115400.284,4224088.768,6494030.643,3898574.491,1694963.699,56523545.4,2852504.865,0,2353398.859,0,3183325.308,2322212.618,2150648.311,25521476.94,2987769.019,0,1065134.426,14741025.49,476953.0676,2900868.421,3525482.095,3934976.32,2926699.733,3474533.444,15617733.8,3678795.253,846807.0383,0,8687763.2,6005962.46,0,1874959.686,32700051.3,10568398.47,1019703.43,3327491.395,0,3029926.272,2883867.99,7337089.309,2885970.424,2816126.191,286704.1939,5142970.958,3164626.804,0,249426.2987,1936160.58,2363000.707,5487253.543,4402772.778,2341880.953,885596.5,1440809,2318475,2052704.993,135.8787278,1440809,135.8787278,true,true,"1H-Pyrrole, 2-phenyl-","3042-22-6","C10 H9 N",85,76,94.9,727,792,100,0.33,true,true,"w11n17main1",51549,1373,"UnspecifiedColumnType",12,0.9,true,true,"Isoquinoline, 1-methyl-","1721-93-3","C10 H9 N",85.6,76,94.9,759,830,100,0.33,true,true,"w11n17_w11rep",8277,0,"None",0,0,"1H-Pyrrole, 2-phenyl-","3042-22-6","High","3042-22-6","CAS-RN","DTXSID40184510","1H-Pyrrole, 2-phenyl- (9CI)","IRTLROCMFSDSNF-UHFFFAOYSA-N","2-Phenyl-1H-pyrrole","1.04E-06","Y","-",16,"N1C=CC=C1C1=CC=CC=C1","-","-",30.761,280.807,1.40929E-5,1.092,0.612,7.26106e-05,131.589,102.029,0.152,0,"-","-",0.000405509,"-",0.00047863,5.76766E-3,7.32174e-11,7.68726,6.01747,272.026,5.32619e-07,0.366014,8.53655,288.165,2.75901,128.489,0.00153157,0.00373527,"-","-","-","-","-","-",0]
[35822592.05454303,1042,false,0,"11,13-Dihydro-11Î²H-arbusculin B",234.16182,17.924,272146439,219.13777,5798632925,37653461,"C15 H22 O2",234.16143,234.16127,96.9,98.9,100,865,865,1759,64,924532.1803,993608.6783,668532.2411,19510628.48,24613383.05,5904935.695,29005904.48,32127691.23,29917427.33,45941010.36,120470177.2,24729643.73,25854564.12,8882133.289,69127176.96,24380200.59,37394451.35,9894108.298,16184743.08,23221540.62,33943016.23,19945131.59,52339698.44,62869754.29,36860221.88,5880466.869,48555572.52,30250993.56,19620354.51,9003007.486,60324382.98,27430234.3,28449247.37,12819428.16,43100396.2,17427446.22,25071701.87,5792379.322,61355631.95,24633426.27,90963095.54,3870401.573,32281950.37,62010980.12,108939203.8,17803133.78,77377160.43,32898260.96,34053821.53,6353060.054,345746135,36335719.98,33928500.1,3924268.074,344766346.3,35802961.6,26141561.31,6563503.61,34725603.06,12384075.89,8440277.317,12617269.24,28718907.29,32331762.19,13408538.33,6973175.263,31757941.87,19764515.32,7993446.519,4095240.282,28736477.49,20826059.41,27430234.3,18670164.42,35349899.84,31013337.94,55177708.06,14194640,21450251.17,30128782.11,12571285.62,19100916.31,45307158.37,18155303.13,40133086.87,25202874.18,13526021.65,34500343.64,56442506.47,8112738.739,37757383.66,40616508.91,34488867.12,21814729.74,44452201.86,31616051.63,12811304.34,32210024.8,37998631.28,9069273.737,26809210.06,31898025.2,21756975.05,18825406.39,57731230.8,4712122.715,43370901.5,54211123.43,6769832.05,20167287.3,11163030.68,18506936.32,38453577.07,9886399.033,38643608.03,66335539.45,26319412.7,43859348.1,36134501.71,27688761.55,60123664.75,40308362.82,16941183.48,24471134.27,27171707.05,10551327.52,43061543.78,46806432.16,17292573.79,34996832.38,41117151.56,26547230.94,23188358.92,24573997.62,15045022.4,20599244.67,45731282.09,12811675.5,26792434.69,25427538.16,15193404.23,68695985.15,69626709.46,11241752.04,26109219.74,37967332.24,19372450.89,39547420.48,9806981.711,15966147.87,53989185.68,167669383.3,81699207.96,60856496.42,8967512,15731886,24124541.5,22014365.56,147.2871269,15731886,147.2871269,true,true,"3,5-di-tert-Butyl-4-hydroxybenzaldehyde","1620-98-0","C15 H22 O2",95.8,98.9,99.1,813,818,100,-0.69,true,true,"w11n17main1",305820,1772,"SemiStandardNonPolar",13,0.7,true,true,"11,13-Dihydro-11Î²H-arbusculin B",0,"C15 H22 O2",96.9,98.9,100,865,865,100,-0.69,true,true,"w11n17main1",305957,1823,"UnspecifiedColumnType",64,3.6,"3,5-di-tert-Butyl-4-hydroxybenzaldehyde","1620-98-0","High","1620-98-0","CAS-RN","DTXSID7057658","3,5-Di-tert-butyl-4-hydroxybenzaldehyde","DOZRDZLFLOODMB-UHFFFAOYSA-N","3,5-Di-tert-butyl-4-hydroxybenzaldehyde","1.73E-05","Y","-",56,"CC(C)(C)C1=CC(C=O)=CC(=C1O)C(C)(C)C",6,"-","-",306.27,3.60579E-6,0.992,0.866,3.5156e-06,135.122,103.168,0.115,0.0110154,"-",120.752,2.38232e-05,"-",0.000557186,7.2277e-05,1.7365E-11,491.85,5.36063,270.473,3.11036E-9,2.46428,8.92415,2572.27,4.40629,185.587,1.09048E-7,2.71686e-05,"-","-","-","-","-","-",0]
[182499406.76117224,292,false,0,"Dodecane, 4-methyl-",97.10173,10.201,84334136,85.10117,30628221501,198884555,"C13 H28",184.21855,0,74.1,96.3,100,778,925,1302,53,9472965.479,16899505.61,9215577.964,83837951.72,81568081.05,44220681.3,105918389.6,444368282.5,13789656.25,386197079.1,88437584.89,548937994.6,42512069.82,37262308.86,178390993.2,56496416.62,72501160.55,34815263.96,103300470.5,3263059596,30178438.84,62067183.34,166946643.8,31643600.05,3856642.316,196831965.6,34146678.05,67751419.65,1770893.105,100442543.8,26306295.07,103162879,25943646.46,90717657.05,179208310.4,9548842.416,4628742.254,77034620.8,231252062.9,3939666.408,3698860.708,210470156.3,52071612.55,183738325.4,1095903230,99045983.7,101919835.5,8678508.412,4844974.008,78446822.96,217497113.4,70493940.02,3116301.562,85047883.62,7125098.385,85963798.08,3334967.366,117029235.2,138255812.9,25473409.58,80305751.32,638543693.6,188835096.9,52457766.45,62247079.07,127387475,343383748.5,6992225.501,39504675.19,75622418.64,518587175.7,11191752.36,52771265.29,69826945.41,82523497.07,105602196.1,599909254.1,75281437.66,228385579,41182930.76,30657075.57,586078252.2,95286013.79,82420013.43,36876397.68,8184131.998,92953457.64,129815960.5,31097206.6,136445420.8,94100064.01,106722149.2,2005262315,77034620.8,52578129.56,153054304.6,25038016.8,157055036.1,127100181.4,35046661.31,249582271.5,99891569.36,22744879.98,85960873.84,552117185.3,41430327.22,8400966.141,124358289.4,34784713.24,6263565.404,66407435.79,5563265.544,6755232.619,31864845.8,12594645.34,126709543.1,645993257.3,152941809.6,132195098.3,1061892868,18570165.78,439591444.7,215903993.6,11723077.49,132152896.7,144577340.4,23550558.99,79818891.8,126239747.3,18332295.05,11783204.48,128356739.4,15280264.27,58366320.34,84737047.06,16092689.65,28612555.43,74250349.8,13782109.75,25663905.7,163414356.9,17242614.98,12705148.68,220528476.6,13789045.77,124391267.4,1668343059,14862006.66,371365903.6,175714451.8,63755619.64,49826786.08,39420249.27,2397717240,16532760,43881635,84188769,115408226.5,262.4039738,43881635,262.4039738,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Dodecane, 4-methyl-","6117-97-1","C13 H28",74.1,96.3,100,778,925,100,0,false,false,"w11n17main1",145303,1249,"UnspecifiedColumnType",53,4.1,"Dodecane, 4-methyl-","6117-97-1","Low","6117-97-1","CAS-RN","DTXSID1058638","4-Methyldodecane","UZTXSMATBUWDDZ-UHFFFAOYSA-N","4-Methyldodecane","7.73E-06","Y","-",10,"CCCCCCCCC(C)CCC","-","-",641.21,215.242,6.08135e-06,0.736,0.486,1.19124E-6,66.487,-54.749,0.107,0.0363915,23.805,129.555,3.90841e-06,1.64059,0.0810961,4.12098e-07,2.08933E-11,610.831,5.63792,217.566,0.144758,9.55908,5.72324,1724.1,6.42544,-51.217,0.271214,1.38029e-08,"-","-","-","-","-","-",0]
[8482456.827439735,2747,false,0,"Hexanoic acid",119.04976,6.128,11076143,120.05701,1255617272,8153359,"C6 H12 O2",116.08318,0,60.6,70.8,100,614,841,1061,0,1586825.821,3199325.602,2319064.147,2145222.829,6871278.376,1355864.177,29741702.48,3615146.412,2053493.578,1093500.958,4960632.275,8427195.614,4942762.243,13144489.34,21889575.5,10628751.34,10758054.64,7607413.601,4495388.475,5867350.449,10011455.18,8510603.418,24162130.7,6630353.825,6612341.478,4136631.807,24978585.75,7235304.011,2961557.511,6369719.95,21430379.75,8214398.161,1521744.678,4854741.212,10283302.89,7819786.661,4077087.92,1366681.833,57889517.07,9000258.853,341824.6054,7167638,4191842.757,6750816.101,9493223.612,3537950.127,4681608.606,6880125.326,1528758.218,1370066.398,23141893.1,3497593.809,8360919.415,4535753.383,2957669.773,8727875.62,6978603.454,6999511.314,8307877.352,22209397.82,19374354.53,106951.0459,26045279.49,26320485.74,5833154.79,13371196.16,196440.1031,4275802.747,5258515.782,2776732.455,19507620.33,6621506.875,6750816.101,5521317.995,17245883.08,3018413.563,6599538.743,3811859.442,30861674.82,5995622.22,5517950.322,7459462.678,9774762.925,2555324.517,6973820.314,6144220.121,18649767.94,4742554.071,3581611.519,7280317.135,11714159.25,9974356.762,7170152.921,4862256.05,2820276.911,3131664.658,9101782.487,15565397.53,8209569.262,3469584.533,9137446.79,16904786.39,2447837.925,5597236.549,4769932.247,9271911.475,5217616.252,21526741.05,5957228.908,5901505.383,8737431.423,14461982.54,8150573.496,7759561.837,10471669,11174781.56,6824630.311,12696627.61,6000499.351,3655720.859,12210238.42,6677001.89,3385232.214,7424680.578,7094141.526,10970197.93,2295007.717,18276922.05,7008872.441,11746391.62,2336204.374,9097748.927,7101106.542,8266275.61,3794522.492,9932716.388,5871653.202,5597687.036,8223343.516,6176965.265,3862530.306,1749690.175,10214157.89,6976466,3189074.753,6085562.311,6600144.018,23317095.29,7513008.286,2987807.397,2825869.941,2235017.152,3822036.799,1802378.278,2162660.5,3715926,5015506,4551206.881,89.89499147,3715926,89.89499147,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Hexanoic acid","142-62-1","C6 H12 O2",60.6,70.8,100,614,841,100,0,false,false,"w11n17_w11rep",4147,0,"None",0,0,"Hexanoic acid","142-62-1","Low","142-62-1","CAS-RN","DTXSID7021607","Hexanoic acid","FUZZWVXGSFPDMH-UHFFFAOYSA-N","Hexanoic acid","5.74E-04","Y","-",149,"CCCCCC(O)=O",12,"Y",2.48,204.06,0.000588844,0.98,0.81,0.000398107,91.9,29.73,0.09,0.0199526,27.24,145.82,2.29087E-3,3.38844,0.104713,0.0707946,4.90623e-12,3.33853,4.74349,205.113,7.58275e-07,0.0715315,4.89622,28.8497,1.91903,-3.38404,0.0442097,0.0882487,"-","-","-","-","-","-",0]
[34083536.42362916,1154,false,0,"Undecane, 6,6-dimethyl-",125.1331,26.112,67750583,113.13251,5096714098,33095546,"C13 H28",184.21855,0,72.3,97.5,97.3,666,792,2378,0,0,0,0,11633885.63,8481812.163,3000944.205,46666146.27,126789127.4,56254584.05,18986242.43,449892170.2,21421562.5,15659838.08,7448988.156,112110869.2,3576655.139,2566561.282,8724399.902,14181249.47,25592720.95,29590836.76,50643238.52,31105529.32,18088457.96,8712161.613,2865214.068,8920351.988,71763163.68,16874148.02,9818317.066,124355390.2,14297659.69,10244478.06,8963597.763,15483571.18,3307412.162,5428225.083,36375923.69,60753659.09,44877499.07,19166417.67,6792647.676,61404990.29,23081213.64,29483335.73,12337397.7,64067084.24,26535832.36,21422168.91,8754191.19,16767615.09,9416616.688,16980680.95,69483896.14,71753822.95,11798111.35,27425198.7,5676421.812,88932691.11,22330798.09,1270503.649,6459729.486,18163710.46,14603824.15,9358557.95,4080346.95,107432632.7,14237102.26,20669208.62,4041644.801,21999954.83,12546538.56,25027612.2,22144422.36,27021735.94,1386283.028,39067590.13,6035096.257,6242133.314,29698019.1,61023488.21,26299957.26,57363955.72,25450359.47,16874148.02,4205062.407,5697275.84,13245232.28,20633332.49,8409507.265,16357889.97,18507059.92,14831656.39,34155089.92,32513861.68,59555537.63,236670810.1,20964270.65,24272924.97,19311295.24,2570942.854,23082823.85,16087485.42,19882666.19,8577926.864,12635916.32,5785290.434,11363152.69,9311939.894,31651782.51,14578536.39,13535748.37,9202969.771,7631613.879,64583572.49,17030175.84,606166208.4,149004524.5,13665764.84,29416975.69,6682093.783,6163309.428,55190461.37,24390327.85,12811971.59,27025280.26,54777886.77,12571702.6,36509810.54,101066246.6,24174852.45,38557308.97,34938008.17,7122212.3,17134246.45,16718120.2,4845371.439,11416542.59,108919180.6,8426622.807,8753985.147,68656933.54,12922201.55,16222221.19,11099325.86,8957977.125,28369220.63,18976612.03,3261311.487,3649303.021,5159097.643,36085555.57,7182875.449,15212719.29,1300532.5,2507792,4590254.5,5016294,196.603987,2507792,196.603987,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Undecane, 6,6-dimethyl-","17312-76-4","C13 H28",72.3,97.5,97.3,666,792,100,0,false,false,"w11n17main1",145332,0,"None",0,0,"Undecane, 6,6-dimethyl-","17312-76-4","Low","17312-76-4","CAS-RN","DTXSID40169529","6,6'-Dimethylundecane","ZFOODCBUKSMZBZ-UHFFFAOYSA-N","6,6-Dimethylundecane","5.17E-06","Y","-",9,"CCCCCC(C)(C)CCCCC","-","-",751.623,214.599,6.5013e-06,0.719,0.462,2.17771e-06,73.516,-40.119,0.089,0.0345144,24.285,124.286,1.59588E-5,1.94536,0.120781,5.8479e-07,2.09164E-11,533.84,5.84251,221.076,0.145228,5.80409,5.82676,1518.8,6.62415,-82.7595,0.165942,1.1824e-08,"-","-","-","-","-","-",0]
[11178718.417005487,2402,false,0,"1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-",192.07844,14.104,6375704,192.0779,1578527015,10250175,"C11 H12 O3",192.0781,192.0779,93.1,95.9,99,735,837,1522,3,0,0,0,8539063.884,31469656.3,5995621.221,2629931.302,9443034.566,2170964.921,11128042.93,5132993.538,11840061.25,4061983.033,15686246.79,19553837.67,28001171.18,1100907.459,3085581.093,4925935.446,3886727.982,1445499.166,6830200.854,7626592.059,6464813.752,0,4482160.569,2882478.129,11381670.53,6704443.414,48493256.63,20721990.92,35051.32523,1730366.04,4829614.604,3806869.818,4646803.135,2527779.754,15012142.63,6193602.221,5564307.38,2799966.594,6307814.139,54303796.81,3527899.358,2880370.588,9993106.067,7292739.775,1554929.183,4506945.26,3092315.145,15072644.92,1989745.132,2188652.386,6613813.35,3155332.49,4514801.409,1733612.223,10518254.49,12281413.69,0,8742260.164,14550495.86,12788532.37,60608571.6,8071647.619,12375127,23758305.31,2987214.617,1068576.517,1870548.373,17792124.56,2251744.464,17992389.64,8764913.567,5441743.644,2762650.461,7605720.413,2114547.692,6231443.185,1686270.112,9772175.492,5564307.38,7184603.487,916103.1879,20314037.92,6194444.845,3824131.558,3170504.016,12676814.55,7876963.206,2372478.135,3256500.422,15808547.21,13462429.29,0,1246933.194,1736512.232,13383456.39,8782849.484,1397542.004,4070542.265,6062761.317,2003337.167,17652459.44,16231486.13,1124731.899,9519691.454,2856003.434,93814614.64,11168610.58,7906546.205,0,1494411.631,5137410.994,15953864.28,7210675.642,112771872.3,12688505.85,1515486.031,44772433.35,0,857205.7589,7983751.54,1984531.541,1655477.545,4163308.308,83256705.13,2185366.46,2328588.217,32759608.01,54980529.61,6809996.411,4347259.828,2754463.337,10509183.53,2179336.675,0,5307818.978,8999712.931,3073309.768,11933619.81,28672217.57,29955212.31,91533633.45,5820795.781,3669411.468,3563531.31,12747640.82,1713234.274,19581426.17,581931.7048,3369343.511,18243675.24,3743491.687,260750,613703,1269832,1087996.11,141.6293153,613703,141.6293153,true,true,"1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-","607-91-0","C11 H12 O3",93.1,95.9,99,735,837,100,-1.04,true,true,"w11n17main1",164965,1519,"SemiStandardNonPolar",3,0.2,true,true,"1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-","607-91-0","C11 H12 O3",91.9,95.9,100,678,903,100,-1.04,true,true,"w11n17_w11rep",14501,0,"None",0,0,"1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-","607-91-0","High","607-91-0","CAS-RN","DTXSID1025693","Myristicin","BNWJOHGLIBDBOB-UHFFFAOYSA-N","4-Methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole","2.05E-04","Y","-",67,"COC1=C2OCOC2=CC(CC=C)=C1","-","Y",37.2392,274.609,4.08319e-05,1.11,0.711,7.67361e-05,110.999,21.434,0.075,0.0151705,"-",139.659,0.000475335,4.22669,1.34896E-3,0.00430527,1.77912E-10,3.76453,4.89548,276.436,7.59699e-06,0.191137,5.96288,123.797,1.92993,49.8186,0.000566743,0.0240529,"-","-","-","-","-","-",0]
[19631528.89808224,1570,false,0,"3-Phenoxypropionic acid",166.06287,13.342,2864842,107.04913,3119612204,20257222,"C9 H10 O3",166.06245,166.06232,93.5,96.4,99.5,747,774,1477,52,163108.3337,51777.69676,153072.8451,5110366.003,9511710.218,8871578.085,4177535.131,3027845.49,9221218.522,4000380.685,414827752.7,3693938.43,7105652.222,21433316.44,6126039.529,8327949.824,7431000.228,6457866.514,5117106.835,3711340.4,3304608.633,2554094.443,21915147.51,3416472.026,10439319,3320731.266,16884444.52,7290393.73,999670.2827,6624480.293,15392794.11,5902973.865,0,15932007.24,15518744.01,5161993.165,1653776.199,2212156.211,7628824.763,6291953.021,2604742.718,8817144.15,9869224.998,5225487.973,955930.0178,11515225.95,10665248.23,2718160.932,6127886.45,3821168.02,0,6144437.025,2559438.517,1787385.366,0,16678278.48,3298121.871,9024035.625,13759687.69,45273700.3,7689262.917,4586130.809,17311661.8,15336664.87,2187765.368,6439469.018,22105130.54,5474076.364,42488310.46,19779635.6,20527548.9,4193800.623,2815172.808,6291953.021,137556123.7,3673656.402,297052002.8,2870232.332,9387061.363,1467099.733,9298815.705,7744817.815,10965165.42,1801663.904,1360686.312,2911722.833,30019521.38,3915595.536,18113815.81,12151115.3,0,5912380.744,9293770.41,12090657.94,14417847.3,8591565.614,5271761.452,13767630.98,31489927.2,5886880.068,4884989.445,14029492.76,3994424.355,44036.65161,4769339.374,10722435.02,0,306739102.6,6431685.759,5185262.845,0,150583475.1,2005340.273,11726409.57,4376351.941,3565864.451,11803375.33,6370252.628,3440350.598,6213653.415,9580229.698,36078861.17,7407136.209,251077823.9,809041.1491,9495564.003,240819140,2859086.138,6843896.218,9643868.673,3428396.376,2446342.242,9683423.89,5488795.848,5465424.303,39938.71621,2295670.833,4371322.621,11308705.02,0,3169742.512,17214791.97,1793626.378,16347710.93,9718826.357,2578156.442,11307433.99,14299013.67,3201529.128,11642152.21,1353423.93,2761184.237,8788654.205,8475521.521,403385,764097.5,1375326,2395914.653,294.6581668,764097.5,294.6581668,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"3-Phenoxypropionic acid","7170-38-9","C9 H10 O3",93.5,96.4,99.5,747,774,100,-0.78,true,true,"w11n17main1",96045,1425,"UnspecifiedColumnType",52,3.5,"3-Phenoxypropionic acid","7170-38-9","Medium","7170-38-9","CAS-RN","DTXSID10221921","3-Phenoxypropionic acid","BUSOTUQRURCMCM-UHFFFAOYSA-N","3-Phenoxypropanoic acid","5.27E-07","Y","-",25,"OC(=O)CCOC1=CC=CC=C1","-","-",3.3266,281.784,0.000586138,1.171,0.669,0.00025704,169.5,79.01,0.068,0.00872971,39.692,151.269,7.72681E-4,9.977,0.000202302,0.0250035,1.13711E-11,3.38429,3.55819,240.189,8.4266e-09,0.142493,7.71513,85.8773,2.05506,98.2268,0.000498702,0.010953,"-","-","-","-","-","-",0]
[1691500.4674227813,4992,false,0,"Heptadecane, 2,6,10,15-tetramethyl-",239.27402,34.038,1190729,211.24205,278559896,1808830,"C21 H44",296.34375,0,68.1,79,100,825,917,0,0,123724.4548,0,21332.07933,791131.2098,123011.7983,1849817.578,2132080.499,2326535.236,542519.2148,1221233.245,11173354.23,1316169.13,1143579.547,328494.3,11141308.4,320556.1957,271422.0373,1642920.365,2225776.328,1071067.715,1016700.87,4098033.678,1783605.58,1440052.46,502849.652,462341.7416,488770.6512,1233459.809,743797.0906,375572.7537,1656226.595,117594.1608,328404.7107,1599306.143,1766760.384,98273.43394,390317.234,4455681.023,6994274.235,1739610.442,1270266.866,1071196.89,1182406.396,610739.4178,2589443.044,803145.3564,3213388.503,3043100.073,579327.8883,2711778.145,462467.7706,869069.0123,960499.6434,1283947.576,3410947.115,310201.2298,2085496.745,1459874.278,2561974.717,656572.3813,131688.5906,431185.9003,4006959.11,562225.5171,692403.7081,187175.03,5828253.764,6345052.767,1080865.216,261201.2099,1704736.615,1488671.458,248206.6052,2026722.46,1642005.201,0,205497.878,583228.0768,1095845.14,1762436.254,413972.7034,1277226.17,2131821.128,412682.5227,571800.2753,314298.5817,868252.4915,387523.9982,1382483.132,824114.0126,2660306.734,694411.7001,2363000.071,2273700.16,1669859.829,4680294.042,1476758.239,2925689.083,4007863.073,1373062.089,499306.7556,1232958.333,2720009.082,864453.4369,1182406.396,492699.26,2269850.043,771334.0461,318506.1369,1547624.565,491072.0663,1424031.037,626195.5209,672541.6046,1988916.562,957859.525,8599304.29,7111539.522,748687.6475,1211619.398,942000.304,137654.2548,2677673.091,2345873.432,881427.6616,374787.956,2533383.583,1172998.401,2305854.241,5919243.988,448189.0282,2757962.325,2657940.05,480458.5231,914151.5695,1623003.025,208217.8157,960076.0737,3912194.084,468170.8653,799931.4573,3368062.218,667349.7681,1191814.391,1776658.377,2300995.517,1819743.313,1461902.291,460548.6519,624133.2367,324354.2762,458897.5493,4768291.816,899778.9578,295898,601253,1178270.75,925000.42,109.5434875,601253,109.5434875,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Heptadecane, 2,6,10,15-tetramethyl-","54833-48-6","C21 H44",68.1,79,100,825,917,100,0,false,false,"w11n17main1",524731,1852,"UnspecifiedColumnType",0,0,"Heptadecane, 2,6,10,15-tetramethyl-","54833-48-6","Low","54833-48-6","CAS-RN","DTXSID6058635","Heptadecane, 2,6,10,15-tetramethyl","ZZEQNXPBKOFTBG-UHFFFAOYSA-N","2,6,10,15-Tetramethylheptadecane","7.04E-06","Y","-",12,"CCC(C)CCCCC(C)CCCC(C)CCCC(C)C",7,"-",767.362,324.492,3.28852e-07,0.698,0.483,6.62217e-07,155.407,-48.384,0.055,0.012106,24.111,124.731,6.93426e-08,5.33335,3.1842e-05,1.90985e-08,6.07566e-12,364.014,20.5349,336.02,5.48342e-06,8.24175,8.8637,17552,9.47911,-51.6973,0.00019974,1.05169E-8,"-","-","-","-","-","-",0]
[2708412.093933112,4451,false,0,"6-Methoxy-1,2-dihydronaphthalene",160.08871,12.321,86708,427.10941,415723410,2699503,"C11 H12 O",160.08827,160.08817,66,37.6,51.6,549,693,1419,81,0,0,0,3499673.538,961675.231,3032684.351,10548645.6,2057456.078,425252.7663,0,3026394.35,3008636.389,629069.6719,2618621.533,1969743.568,5284296.449,3485633.976,2381999.315,1537366.767,0,2256442.54,2357464.833,8886312.832,808317.3444,479951.455,4715068.671,6850055.102,1117278.298,996049.271,4586280.421,4805617.475,2776621.908,1103701.101,2186212.687,9047355.231,4767641.091,1336899.394,1901972.089,4650899.924,1004570.524,1488094.827,3821526.363,2369732.074,2886375.647,2028938.759,2943411.234,4978684.625,1910990.705,1097578.294,2219539.077,4390653.274,1846947.428,1298733.833,1169600.819,2233875.562,1746984.452,2017337.079,2919384.549,3967308.373,1139148.869,2505588.585,1816678.607,3254905.396,2827113.046,1929042.119,3603690.108,3407165.149,2977881.595,3292865.688,2031045.689,4285196.39,3402220.631,1573700.875,1387200.604,3130963.605,5344812.852,3029315.478,3049824.022,1214007.403,1585039.842,2210405.064,710373.9204,2134342.296,3082543.76,2076014.834,2546190.539,3745504.252,2369732.074,2944597.522,2001293.955,2589891.406,1383107.841,2907404.819,1337036.303,5267810.761,2962086.815,1939209.202,2999436.072,128306.9981,2884190.132,1445282.053,3388651.113,2951843.726,1112381.641,1335426.035,3771782.921,2173145.266,1580879.984,1644530.275,4822057.444,1202243.505,6117137.336,2706546.331,1150625.491,2986686.044,1741054.231,736205.8828,2698000.495,3296391.668,2352323.9,3504105.525,2349422.538,1493461.445,5602145.742,2376097.307,2416005.842,2519537.107,947472.428,3238394.028,3715194.435,3405399.995,1485941.588,5001149.264,2363366.84,1857523.203,2033795.766,3830804.842,1632993.288,3104161.612,1452990.402,1707155.661,4552237.461,1484283.666,0,5987286.786,1569429.768,2383765.193,5687203.027,3631883.889,2124478.141,7531847.734,1761955.882,2212111.125,1348985.445,59765,86642,130592.5,101213.9595,57.30672823,86642,57.30672823,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","6-Methoxy-1,2-dihydronaphthalene","60573-58-2","C11 H12 O",66,37.6,51.6,549,693,100,-0.63,true,true,"w11n17main1",84171,1338,"UnspecifiedColumnType",81,5.7,"6-Methoxy-1,2-dihydronaphthalene","60573-58-2","Low","60573-58-2","CAS-RN","DTXSID80344156","6-Methoxy-1,2-dihydronaphthalene","SUSHJFGCRWJSAQ-UHFFFAOYSA-N","6-Methoxy-1,2-dihydronaphthalene","4.44E-06","Y","-",3,"COC1=CC2=C(CCC=C2)C=C1","-","-",51.4044,266.042,4.9545e-05,1.047,0.648,5.90201e-06,109.136,56.367,0.051,0.00944061,36.283,"-",9.63829e-05,5.15229,0.00548277,0.00234963,5.16821E-11,21.5133,3.51868,265.382,0.000251278,0.923575,5.63193,2171.67,3.21973,70.5254,0.00481761,1.38751E-3,"-","-","-","-","-","-",0]
[3141648.58411053,4376,false,0,"Butanoic acid, 2-ethyl-",116.08388,6.9,283000,74.03185,432073388,2805671,"C6 H12 O2",116.08318,116.08334,91.5,93.8,100,698,758,1118,0,35619.00651,18205.62686,67763.90192,280930.7872,5277320.239,1128678.045,678813.8583,253389.6463,1117520.817,804149.7435,1448885.621,563499.2687,74173484.21,1473339.534,14532091.34,1483820.778,213011.7692,515023.5157,2092130.152,232462.0031,5072462.097,342278.1209,84616.5315,1852754.988,5775799.557,41172.33307,296889.596,1068721.105,334312.1447,454101.1843,135124.1326,4253119.002,62812.10127,844031.7481,2223459.111,4066283.81,1150439.264,679864.4178,131407.6124,2527071.958,42874193.45,16816.5258,2240715.538,6109205.435,960835.2802,701827.1434,2085810.198,3481262.515,417178.0204,404821.4602,3777192.145,7283424.614,1980913.56,171291.0328,562100.7814,4692707.671,6413888.048,2047530.545,181495.8964,3875696.474,56486.31718,0,902006.0679,3208447.929,254893.2935,454236.2863,373698.9091,4310978.425,1970429.033,316853.0246,1019664.493,533609.3502,273382.7516,1198669.109,6274178.946,9973908.391,570476.7996,60609.26601,53086.52897,2641943.024,77467.19965,2143223.147,795057.0176,1664157.128,509486.5052,27696.64785,253347.8647,1600963.048,171483.391,940352.4274,1292149.801,1378107.756,1850526.373,1690236.98,1425015.445,1176003.066,926475.7838,924220.5074,2130283.627,0,1822747.341,960835.2802,2774602.708,767736.2492,2059891.199,78085.08359,156170.1672,1457176.304,598055.0197,0,1889942.22,226160.9711,1771931.535,1010858.135,0,416114.7718,722390.6942,6808851.525,1971166.901,12803987.78,45682465.61,1747219.185,926797.3787,0,982715.0421,1310324.751,724346.4271,2184504.765,587143.6147,0,785634.2071,1202115.679,0,5833551.971,0,0,3391974.263,588569.6699,10931821.71,1469423.623,220052.5478,938955.5183,4443962.995,1437724.452,0,7261277.738,593923.4888,44470066.04,254082.3004,260275.4546,2985067.734,636900.7194,2541686.786,8331658.508,72884,196320,413725,572291.2624,273.104768,196320,273.104768,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Butanoic acid, 2-ethyl-","88-09-5","C6 H12 O2",91.5,93.8,100,698,758,100,1.33,false,true,"w11n17_w11rep",4233,0,"None",0,0,"Butanoic acid, 2-ethyl-","88-09-5","Medium","88-09-5","CAS-RN","DTXSID2041418","2-Ethylbutyric acid","OXQGTIUCKGYOAA-UHFFFAOYSA-N","2-Ethylbutanoic acid","1.50E-04","Y","-",89,"CCC(CC)C(O)=O","-","-",2.66073,187.581,0.000578096,0.975,0.818,0.00077983,82.265,6.592,0.041,0.0296483,25.813,140.688,0.00250035,2.77971,0.110662,0.11508,6.70839e-12,3.546,4.44536,194.03,8.42021e-07,0.0815613,4.7556,52.1375,1.68158,-31.1618,0.188054,0.15429,"-","-","-","-","-","-",0]
[9568860.79032212,3202,false,0,"(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one",135.08095,13.377,1028518,136.08372,909640060,5906754,"C14 H22 O",206.16652,0,67.6,88.5,89.7,607,717,1479,27,46715.56934,48526.37467,16924.61358,10129150.69,1504072.938,1734750.327,1802183.792,13411908.53,1638140.467,228277.4277,5258528.583,16816989.73,5993026.536,222437.4049,233151.1411,19692339.21,4726564.696,141254.2351,140639.311,16443798.39,3114339.77,86261.56504,506663.2706,5699227.179,5921125.207,39182.09077,143904.5584,8025893.096,1497725.019,72375.4841,155926.8995,2168030.258,2017621.61,258961.9155,139158.0229,2034615.399,1783827.533,1270712.357,126183.6181,5252652.045,3639289.417,1782918.752,87953.40117,3600444.217,1768467.06,106936.5497,84292.39947,3362903.269,2998714.828,65947.17237,93776.59845,3205382.292,1986040.936,45837.67931,221402.9152,8969041.63,2895908.253,212419.0993,250734.4138,1943989.366,14215671.33,67652.35251,3193366.634,4442385.694,7113181.55,122111.0237,194302.8298,3333815.499,2348791.929,186528.427,252995.3701,1592944.753,67278482.96,1121471.745,2075426.664,15122090.41,107279531.5,835911.5688,67523724.47,6633692.377,124380957,16806762.59,2397100.654,10500407.99,25963.80547,163796.546,325472.428,14294338.45,214729445.7,816924.5917,423158.4454,13556717.31,536559.2606,1295506.878,943966.4349,56142761.55,692404.6191,1768467.06,18435088.66,301910.6523,1576768.411,5359069.089,684495.1155,423471.074,39889763.21,8929084.525,674715.0507,0,624694.4742,1132007.329,371527.8316,1081736.65,11268718.83,14234897.33,576803.6495,26020467.53,10004327.97,680192.9129,8008880.671,582882.5329,6131166.279,204091986.9,482039.1267,436469.768,3682381.982,443435.6191,583420.6514,73020.82438,337986.6608,1034579.199,9507429.349,390963.499,1429153.658,8252481.348,395212.7795,149793.6336,4496692.58,285347.5384,1421089.303,2107780.461,7168476.893,2979131.62,9203848.871,7220648.409,1125213.198,7041473.505,699130.9728,1382107.257,3862492.099,983094.2478,8050876.181,2662421.051,41618849.01,11817490.41,160180,1010381.5,3078132.5,3402097.333,206.0624724,1010381.5,206.0624724,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one","93175-78-1","C14 H22 O",67.6,88.5,89.7,607,717,100,0,true,false,"w11n17main1",211249,1506,"UnspecifiedColumnType",27,1.8,"(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-penten-2-one","93175-78-1","Low","93175-78-1","CAS-RN","DTXSID00342871","3-Penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-","PSLHSYRVWGKZHP-UHFFFAOYSA-N","4-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-3-en-2-one","6.55E-06","Y","-",4,"CC(=O)C=C(C)C1C(C)=CCCC1(C)C",14,"-",55.9758,271.531,5.11682e-06,0.912,0.606,1.40281E-5,105.741,48.965,0.032,0.0181552,31.422,"-",1.01625E-5,"-",0.0064121,0.000328852,1.2398e-10,206.377,3.52549,271.205,0.000325782,0.161617,6.90426,295.274,4.37871,15.5445,0.0541531,0.00118321,"-","-","-","-","-","-",0]
[6289498.7889337735,3068,false,0,"11-Dodecen-2-one, 7,7-dimethyl-",155.06103,13.45,2540473,193.19504,996009195,6467592,"C14 H26 O",210.19782,0,67.5,93.5,98.5,507,574,1484,30,121692.0227,281064.035,122739.9626,5500400.02,1820262.519,3154075.571,5208996.546,398820.8324,1864897.197,16957031.03,2085269.355,20629640.21,2784432.603,3935084.903,17598128.68,3172663.766,7068811.502,1137401.458,5821091.407,37641340.34,252491.3185,1734819.849,11561147.09,4373153.039,3338751.991,8738487.63,33273084.46,7587220.912,1560679.729,3540050.433,13530501.39,14958537.51,1509056.092,5745968.947,6462651.218,25535487.95,2397494.826,4154118.971,17501733.57,5169199.338,2218182.545,144934.3128,3031763.338,16942056.25,274596.9385,2868809.768,1109378.662,19045649.61,3474143.484,115768.1842,8648730.956,8107626.239,2901701.494,4159136.711,5881092.292,10818891.38,4149101.231,6170142.104,6148973.185,1500070.058,4881243.732,3857351.979,11857476.19,5812690.177,4487559.175,2424110.528,2189259.304,4331040.646,1425227.053,3242453.262,2470525.5,3774459.609,3303643.974,4106267.535,7273451.475,15673296.63,3205540.885,4397392.027,2689853.07,9759166.344,2403462.526,962181.537,5323051.688,3872961.035,1718901.761,5099771.583,17834057.89,7796459.623,2053828.567,1232495.275,7516857.507,14923983.17,2773820.804,3127217.985,12634733.78,12237766.99,1145336.115,12933178.6,5062890.673,1405523.726,10893884.32,8465787.979,2100722.576,4154118.971,5160162.662,6092916.596,47961599.75,3874616.587,2405902.637,6405696.239,446699.8346,1449831.35,7407278.583,3357878.261,17695993.28,4765481.168,4487468.649,3400945.632,4439502.535,6414541.026,3863678.718,7338341.387,4248856.161,4907186.962,6149124.138,4059381.78,8699545.303,4668554.721,1755941.66,3157901.958,11423177.8,2587417.951,3455318.202,8788998.649,1019614.074,2396574.051,6130095.714,2553568.426,2148658.046,6625321.974,3485210.605,8057977.951,6279426.046,931273.4624,3255908.218,5543157.718,2164335.097,16911093.83,383531.3856,2321645.516,2634653.216,1150679.752,6360603.015,2242312.131,363939.5,634253,1122545.5,1006562.609,116.5369247,634253,116.5369247,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","11-Dodecen-2-one, 7,7-dimethyl-","35194-22-0","C14 H26 O",67.5,93.5,98.5,507,574,100,0,false,false,"w11n17main1",224714,1454,"UnspecifiedColumnType",30,2,"11-Dodecen-2-one, 7,7-dimethyl-","35194-22-0","Low","35194-22-0","CAS-RN","DTXSID10188686","7,7-Dimethyl-11-dodecen-2-one","DRZDSBRYQFSOBQ-UHFFFAOYSA-N","7,7-Dimethyldodec-11-en-2-one","8.85E-06","Y","-",6,"CC(=O)CCCCC(C)(C)CCCC=C","-","-",77.0903,258.706,2.58821e-05,0.807,0.37,7.37904e-06,89.938,-10.579,0.027,0.0250035,26.735,133.385,2.48313e-05,2.50035,8.62979E-3,0.000365595,1.24692E-10,466.227,4.32064,260.765,2.64295E-4,3.52449,6.90347,1251.08,5.75399,24.0273,0.0145331,1.71922E-4,"-","-","-","-","-","-",0]
[26444893.571417205,1352,false,0,"3-hydroxy-10,11-diketo-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,9,13,14,14b-octahydro-1H-picene-2-carboxylic acid methyl ester",144.11064,36.233,2487116,480.48969,3984705087,25874708,"C30 H40 O5",480.28703,0,70,97.3,59.8,554,655,0,0,1393140.936,6363517.16,1860347.184,15151729.27,18015732.26,3455333.96,10173790.1,42367221.22,56808260.99,2313322.197,158677404.3,25021736.57,28736731.75,4187025.466,63062462.79,13297234.45,5649575.34,14224609.14,48830528.98,15781627.56,37870476.86,28189788.5,22926256.71,37939615.71,30915305.51,0,2239774.663,59223537.74,19988252.11,5679089.173,24894727.71,23662478.58,14018462.92,32107397.74,16517571.39,16315683.28,9574981.013,19731162.01,34494744.68,32327176.84,20470994.48,10974107.93,72909588.34,50203920.51,21468417.22,13151864.49,72156259.08,44847960.54,14970245.58,17482573.78,9968891.997,48030963.61,21723912.57,35725877.08,41755235.47,119998313.4,37859776.23,9470672.981,28550793.64,16563846.6,11548317.75,17965724.13,13218453.32,16030606.33,19218076.4,17691435.65,65562272.33,24383383.64,14978152.16,3550607.107,30232409.38,26889502.72,28457866.34,39169035.94,22820987.59,2840522.417,7861290.162,18390890.71,11312887.93,25202516.01,8594518.679,26286680.42,60471614.8,6371285.817,14320574.83,0,0,15098540.86,14273075.45,20470994.48,63366017.46,29695254.94,6758221.239,27498545.54,23950175.22,13420788.96,21333649.88,50240188.93,58915420.84,26088409.2,12070961.36,30781074.09,17787124.78,12903176.68,29608137.03,0,11401505.82,93380899.18,1936986.601,27998765.19,5570855.797,33843700.74,29463698.44,17494842.89,24490575.35,52133379.52,61503469.93,46311228.23,33211669.11,29430410.95,13813893.62,34874959.88,17914853.69,35498837.51,67023150.88,10579119.06,51903554.17,27273112.94,18584551.91,24275837.99,9992333.713,16175708.48,20099153.75,3607189.682,11756017.63,19315383.71,8462087.259,11869888.12,17476626.99,20631911.31,32307100.43,57755715.63,19360020,12108074.62,22223516.37,86094947.67,37879838.04,11585300.72,11264213.18,5437099.678,7315601.523,27728275.13,22224594.08,20310077.66,1009947.5,1655885,2564138.5,2159406.388,83.64701831,1655885,83.64701831,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","3-hydroxy-10,11-diketo-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,9,13,14,14b-octahydro-1H-picene-2-carboxylic acid methyl ester","73246-54-5","C30 H40 O5",70,97.3,59.8,554,655,100,0,true,false,"w11n17main2",366394,3443,"UnspecifiedColumnType",0,0,"3-hydroxy-10,11-diketo-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,9,13,14,14b-octahydro-1H-picene-2-carboxylic acid methyl ester","73246-54-5","Low","73246-54-5","CAS-RN","DTXSID40313429","Hydroxypristimerin","HDIIUCVOZICRAQ-UHFFFAOYSA-N","Methyl 3,10-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate","-","-","-",3,"COC(=O)C1(C)CC2C(C)(CCC3(C)C4=CC=C5C(C)C(=O)C(=O)C=C5C4(C)CCC23C)CC1O","-","-",28.774,436.937,6.06736e-07,1.195,0.949,6.35331e-07,292.279,297.636,0.023,0.000651628,"-","-","-","-",7.8886e-12,1.13763e-06,6.98507E-11,978.428,255.528,437.417,2.83199e-08,4.69715,10.2319,108431,5.00105,219.396,1.76598E-8,2.92053e-06,"-","-","-","-","-","-",0]
[171099120.72294697,500,false,0,"15-Nonacosanone",267.26895,33.312,32553558,241.25262,14812489720,96184998,"C29 H58 O",422.44822,0,75,100,99.9,752,756,0,0,4691247.828,14793678.01,0,0,336607761.3,425699790.3,0,0,830840885.3,447823363.6,5879753439,0,424163453.7,0,0,0,0,342996116.4,774448198.8,0,0,260327507.4,0,926249508.5,517070229.4,48162195.33,0,0,0,7111744.689,520283058.3,206327961.7,49237153.2,21346192.3,145595619.5,0,0,30704225.15,161747758.3,0,7043743.585,31097971.06,4719274426,159668245.5,0,24081097.67,113929403.1,528189628.7,6380616.98,469969219.2,0,0,133805224.6,41635772.3,0,97972987.1,89701965.3,26120913.63,0,0,27169462.09,17163855.67,0,0,0,37650807.49,363189520,115391869.8,0,22041281.7,0,101573675.5,66707455.66,17139637.43,31481084.22,0,0,0,98576773.66,25585745.83,0,11764110.42,0,38862998.81,35559249.12,3122459.909,1855857657,22968673.94,38193708.87,7796828.741,574905920.6,109928877.4,0,0,79621616,114389005,0,121137032.5,55622782.84,0,0,24081097.67,0,89764893.18,42347525.19,6930001.353,39119997.02,39808499.12,0,17810181.58,25983899.23,102368295.5,0,0,56661904.89,233420110,120037407.3,58816399.28,0,13655937.56,13711978.27,17559344.2,0,319907888.6,94782889.32,0,168644473.5,15303092.73,144722840.8,42997892.65,72383153.76,26042743.7,24642207.85,0,146953703.2,451804997.9,0,46313293.58,56219966.59,9621407.683,7191811.624,79146926.79,0,30472089.46,16294832.63,265601019.5,38499811.64,15414812.61,4680946.483,0,3799560.588,23519987.48,18145542.15,12012397.91,321428.75,676754.5,1450686.25,1975400.294,238.4367437,676754.5,238.4367437,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","15-Nonacosanone","2764-73-0","C29 H58 O",75,100,99.9,752,756,100,0,true,false,"w11n17main2",302329,3097,"SemiStandardNonPolar",0,0,"15-Nonacosanone","2764-73-0","Low","2764-73-0","CAS-RN","DTXSID40182016","Nonacosan-15-one","FVKQALGTGOKSSK-UHFFFAOYSA-N","Nonacosan-15-one","1.38E-06","Y","-",11,"CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC","-","-",46.6659,443.25,1.90546E-6,0.757,0.315,1.84927E-9,206.611,56.312,0.016,0.0223872,31.03,159.907,4.69894E-8,21.2324,1.11944e-08,4.05509e-07,3.15854e-11,119.844,119.424,449.69,6.69133e-08,1.44176,11.6853,10152.3,9.07116,74.5254,5.06978e-10,6.389e-06,"-","-","-","-","-","-",0]
[17727321.86238458,1777,false,0,"2(3H)-Furanone, 5-pentyl-",154.09938,9.436,4423454,154.09883,2583720358,16777405,"C9 H14 O2",154.09883,154.09883,90.7,94.3,100,649,698,1261,33,2764743.587,2424429.572,11241.82815,7279512.514,11806899.92,17122674.76,20874770.18,9561362.101,243045.82,4397025.364,83711.75184,13017280.19,165428.3514,6617629.823,12215204.8,24264086.46,85622.26128,10577994.95,64860.586,3784247.602,93167.56435,8761680.894,16659847.8,152598.9179,221087.0534,140042711.3,13213240.42,19432345.01,108508.4188,9932669.737,61372.80109,8020596.704,225627.4386,12381331.67,542170.9473,9249314.624,216304.2361,14046295.3,126085.9216,10708544.27,25891.18653,8389679.725,200122.2445,10952135.21,108849.8736,19785810.18,1080613.169,17906672.62,346308.4389,205182930.6,73616015.32,708101.9316,608823.598,15821027.26,171744.9056,40643.91647,445656.3683,136634773.2,54858.84787,82940.73193,19164963.73,16290868.15,44833841.44,2958811.003,33562.54917,19939825.38,547280252.6,371432.5037,14911010.67,13082382.41,112762.5097,21381014.12,4357646.574,5382892.835,13003259.27,5587932.205,21977.91488,9187287.192,8020596.704,145775.5815,85655.40297,4617272.531,10725963.57,19842878.61,78961723.91,109312417.4,37737990.25,9392384.204,4180464.561,6385049.521,10563488.39,13869167.71,5259276.327,4791119.567,10944721.63,12692538.17,6544939.058,9044451.332,9107379.479,4207679.626,5765204.799,4156362.141,3522008.207,8049046.946,136791.728,5142436.824,4715732.601,375040.8891,6322936.591,12532434.53,70010149.65,9126294.155,8607799.817,8788670.893,7897979.588,18359900.28,19515061.45,8778832.852,70329.42619,8143213.819,14868160.65,15720416.63,6556139.871,9050799.616,34012723.35,12699844.68,12775727.51,147247564,11619899.39,6623923.99,3089621.918,8390598.631,8164814.903,27372.26167,51055.86948,60208821.67,230289.0578,69662.47401,11246692.01,107964.5846,5562503.633,6263211.754,174360.3541,13426318.94,23268028.55,33864.83692,9418031.649,15324546.49,4770273.34,6159589.164,6577019.557,88214.63347,66409.38076,59794.30409,20724,644968,1103751.5,1373172.311,242.1612376,644968,242.1612376,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2(3H)-Furanone, 5-pentyl-","51352-68-2","C9 H14 O2",90.7,94.3,100,649,698,100,0,true,true,"w11n17main1",71255,1294,"UnspecifiedColumnType",33,2.6,"2(3H)-Furanone, 5-pentyl-","51352-68-2","Medium","51352-68-2","CAS-RN","DTXSID60199348","5-Pentyl-3H-furan-2-one","PGAMJXWVUGDLRA-UHFFFAOYSA-N","5-Pentylfuran-2(3H)-one","1.91E-05","Y","-",13,"CCCCCC1=CCC(=O)O1","-","-","-",257.57,0.000248886,1.004,0.729,0.000358922,121.774,3.792,0.009,0.0389942,"-","-",0.000903649,2.4322,0.00630957,0.0086896,5.14099E-11,10.6505,4.93652,203.351,5.90865e-06,0.137685,5.76126,74.9596,2.66576,-5.28416,0.0492382,0.0200403,"-","-","-","-","-","-",0]
[51607180.90286753,849,false,0,"Benzoic acid, 2-hydroxy-, 2-methylbutyl ester",208.11005,14.341,183020036,92.02576,7684329157,49898241,"C12 H16 O3",208.1094,208.1095,97.1,98.5,98.6,883,885,1536,0,8709.801588,43260.1114,0,27554591.26,20795688.15,32538918.9,30725021.42,36307055.44,23655176.05,51514263.34,436958975.1,91722452.97,22846845.08,41477956.07,33169431.81,79074553.54,20012619.23,39961879.19,43988110.84,97553987.12,21079561.01,37304194.09,44612301.67,20742026.86,11159410.03,16598956.1,18208925.9,93520290.24,404321.4045,21229889.88,30599394.76,20087680.3,32275676.21,32854175.35,19487846.54,342029.6817,27123850.5,40202605.21,87262225.41,28785331.02,33642645.35,44912702.07,82775380.81,46809924.38,40821312.38,34160234.72,98269577.06,10726378.07,15325032.04,15518384.81,82760760.99,35177155.93,7099835.334,28441814.03,49296426.79,36627789.53,499749.8767,25198333.27,59539173.86,31974225.86,40036939.75,33734124.84,137649952.8,28830662.65,61267233.06,51068391.34,64660187.76,8619952.83,27143024.45,16859490.85,90376126.07,12110481.53,198619346,52803166.14,141977607.1,13114237.49,64005766.93,107085440.3,128522526,10137918.31,24694223.37,67467284.57,200520448.7,8266561.475,30711908.27,25037873.38,61313064.75,10602798.64,81448332.4,32854175.35,27601543.78,33702132.81,24001680.12,63922186.95,85354692.08,11560805.62,42734930.37,54805299.86,270520110.7,17260224.98,81939365.46,129766283.2,11049288.1,27972347.13,10107092.62,37507234.46,56926665.34,7821735.274,18578913.2,40059956.4,17228939.91,11830501.42,6835450.281,25852977.55,638094.3341,55737286.28,74449128.5,73723327.13,16912706.31,106094300.9,0,411241828.5,75465682.52,15613503.4,7517536.342,25647941.9,55764852.79,25097290.86,56527093.99,0,71015424.8,21130469.58,69973479.24,11571782.85,15002990.03,100285454.8,20559181.59,65307494.58,139234232.2,6981925.85,93044660.26,78775127.36,17097597.05,33261650.33,41497975.38,21619693.9,32019506.13,124141797.4,13073070.35,113267530.4,10370222.48,13602957.99,32446700.37,187178158.1,6537740,11541226,20887776,18030002.49,121.3406338,11541226,121.3406338,true,true,"Isoamyl salicylate","87-20-7","C12 H16 O3",96.5,98.5,98.5,855,855,100,0.49,true,true,"w11n17main1",216563,1538,"SemiStandardNonPolar",2,0.1,true,true,"Benzoic acid, 2-hydroxy-, 2-methylbutyl ester","51115-63-0","C12 H16 O3",97.1,98.5,98.6,883,885,100,0.49,true,true,"w11n17main1",216424,0,"None",0,0,"Isoamyl salicylate","87-20-7","High","87-20-7","CAS-RN","DTXSID9041655","Isoamyl salicylate","PMGCQNGBLMMXEW-UHFFFAOYSA-N","3-Methylbutyl 2-hydroxybenzoate","1.98E-05","Y","-",72,"CC(C)CCOC(=O)C1=C(O)C=CC=C1",2,"-",21.6272,285.877,3.68129e-05,1.105,0.744,1.59956E-5,117.032,44.513,0.005,9.90832E-3,36.919,140.823,2.71644E-5,19.3642,0.00146555,5.4325E-4,1.71428e-11,16.9487,3.50639,277.93,2.39504e-08,0.112505,8.62445,79.8854,3.12242,23.3546,1.08247E-4,0.000694458,"-","-","-","-","-","-",0]
[898647.966175722,5661,false,0,"Naphthalene, 1,2,3,4-tetrahydro-",132.09399,11.883,1227397,133.0968,152278195,988819,"C10 H12",132.09335,132.09344,90.7,84.7,97.1,841,976,1395,0,246129.7418,270761.1116,180397.2843,11151.77555,15382.72558,157948.129,317047.0605,15761007.33,99283.22504,1835565.845,332637.9312,120159.7812,196805.2221,631476.2956,1636577.1,357092.9824,308266.9385,687677.4818,1074859.444,98148.43381,70110.88468,692616.9258,486971.54,123037.7879,2145313.816,918840.6599,1302752.342,2151788.001,18867.76979,573370.3775,881496.9588,429119.6385,46479.30013,290052.2086,702789.1806,20441.44998,4888.244092,378738.9229,1107002.052,10969.86233,8681.469052,407078.2803,207381.5426,551240.4998,69451.75241,344865.4568,337265.9718,101360.9782,12620.94304,257989.0556,2453142.742,319023.0664,42956.76184,605743.1449,239223.2974,43531.3823,69223.64658,2795181.687,1053584.729,579388.2553,1093166.243,1282785.818,2045317.519,16871.06373,585926.5043,352464.9418,1808195.987,141092.618,142148.6772,658339.0355,1064233.326,273172.4953,463566.7447,278003.2497,433657.2892,518432.8995,554049.2488,210839.3875,4305239.344,12069.71223,315506.6973,309817.3415,1047686.799,10569163.94,245666.5229,254912.6029,639407.1236,979067.2758,250629.8018,10645279.24,1001943.958,412295.8979,415859.6374,277449.0461,776263.8402,551934.1554,100623.0267,2168770.497,12697.57578,191579.0592,790238.1888,1705568.545,208177.1057,724736.9374,123717.1811,217002.2717,216574.3423,537016.2576,225981.7728,267676.8234,367812.2913,56914.6035,217956.3437,344865.4568,252580.4223,100795.7599,874854.2803,799480.037,170777.8651,805158.8839,3387686.186,3445354.901,515673.5018,26960.6903,319272.9209,370457.9926,124235.4645,213356.6419,398228.5097,195962.9726,13089063.04,462058.9499,150944.6558,501981.8975,237103.1753,110342.661,96736.56639,480428.4352,2871187.767,238994.4476,512368.8052,1280356.14,469639.1291,456274.4735,244954.9733,443634.1349,295496.2077,305908.2653,474317.0101,684962.493,47251.62774,51024.11239,222174.196,61768.14867,47326,91861,204550.5,267392.2583,284.1450811,91861,284.1450811,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"Naphthalene, 1,2,3,4-tetrahydro-","119-64-2","C10 H12",90.7,84.7,97.1,841,976,100,0.7,true,true,"w11n17_w11rep",6518,0,"None",0,0,"Naphthalene, 1,2,3,4-tetrahydro-","119-64-2","Medium","119-64-2","CAS-RN","DTXSID1026118","Tetralin","CXWXQJXEFPUFDZ-UHFFFAOYSA-N","1,2,3,4-Tetrahydronaphthalene","1.25E-05","Y","-",128,"C1CCC2=C(C1)C=CC=C2",21,"Y",254.683,214.711,5.71479e-05,0.978,0.455,4.13047e-05,74.77,-5.572,0,0.0328852,32.667,126.823,0.000336512,2.35505,0.54325,0.000855067,3.41073e-11,338.818,8.03385,207.452,0.00265481,5.6089,5.00813,1687.71,3.4912,-35.4655,0.367214,0.000348236,"Y","-","-","-","-","Y",2]
[18809405.48431324,1560,false,0,"Benzene, 1,1'-(1,3-propanediyl)bis-",196.12512,16.285,96560566,92.0621,3152555313,20471138,"C15 H16",196.12465,196.12457,94.2,97.5,99.7,761,868,1654,0,404247.3618,234090.9905,270568.6722,0,2203308.441,112915339.3,13855375.79,10238293.42,9935293.337,343446447.5,6630629.446,0,20958284.02,10905893.77,29527763.29,0,27173895.58,17119641.57,8494583.771,0,8471845.16,8458987.335,18937375.3,51309069.07,14917883.89,8476287.601,12687198.78,39963565.33,4493345.229,2533001.388,11350134.68,21787331.85,10572093.6,6530902.981,7318484.017,16835728.17,14267295.47,3636338.528,36029280.78,10081108.45,18578255.06,3461274.455,1339849.786,15743259.41,18774000.97,5651849.117,8189094.98,13761646.88,11866437.51,3987909.376,81713208.9,15874491.03,11455435.78,9675135.116,22449552.66,178426784.5,8028194.418,17064624.28,15077096.62,0,0,4099305.993,1636962.798,18739041.32,1281554.121,20059678.31,11803837.99,9688751.415,3398566.252,12031550.37,8041276.701,9177321.442,53092790.33,10253908.52,20440662.13,54580793.92,1693246.885,5775581.12,2892459.292,24900487.29,10046691.65,39211168.17,19382926.07,14194314.13,868417.0253,25968761.4,66709559.09,0,4234726.907,13679951.85,27001786.68,0,38737469.71,6106952.126,24613858.81,25237561.1,6192691.507,13010618.93,20017696.81,1376184.277,11497773,24980713,12452796.95,1274824.894,10323505.72,8568157.096,30193344.96,1112017.517,9980293.281,10572093.6,8532776.702,6454202.167,7037639.468,7790253.029,16989457.66,23997248.63,4060696.232,16883955.54,14862548.7,16485686.43,11071192.23,0,8327825.082,10955616.65,1392708.722,9045385.129,17702580.73,0,7786152.895,14235319.37,1285670.493,6645648.026,13073823.01,6198878.172,71907743.23,71107624.82,9775674.709,6484172.689,11316125.56,9931005.599,10188570.54,13357403.94,0,4982118.511,15179997.53,12061996.58,9151358.483,21918864.89,7893521.601,9934463.381,0,58191237.97,92765179.35,38943163.53,1693445.5,3008749,6174359,5916798.453,191.0567585,3008749,191.0567585,true,true,"Benzene, 1,1'-(1,3-propanediyl)bis-","1081-75-0","C15 H16",93.9,97.5,99.7,745,846,100,-0.4,true,true,"w11n17main1",180550,1633,"SemiStandardNonPolar",21,1.3,true,true,"Benzene, 1,1'-(1,3-propanediyl)bis-","1081-75-0","C15 H16",94.2,97.5,99.7,761,868,100,-0.4,true,true,"w11n17_w11rep",15050,0,"None",0,0,"Benzene, 1,1'-(1,3-propanediyl)bis-","1081-75-0","High","1081-75-0","CAS-RN","DTXSID80862527","1,3-Diphenylpropane","VEAFKIYNHVBNIP-UHFFFAOYSA-N","1,1'-(Propane-1,3-diyl)dibenzene","-","-","-",36,"C(CC1=CC=CC=C1)CC1=CC=CC=C1",5,"-",420.727,300.692,3.23594e-06,0.991,0.793,7.24436e-06,125.019,18.858,0,0.013366,35.929,135.14,1.62555E-5,6.72977,0.0055335,1.3213E-5,1.93233e-11,1092.97,15.6429,300.118,0.000312973,2.31424,7.43409,886.33,3.43517,6.39493,0.00580923,1.23056E-5,"-","-","-","-","-","-",0]
[269563065.44953626,222,false,0,"1,6-Heptadiene, 3,3-dimethyl-",124.1253,23.515,3953525,281.05121,40891918611,265531939,"C9 H16",124.12465,124.12476,90.1,94.2,100,619,712,2163,0,0,0,0,122166803.5,131209052.7,364871872.6,779242625.6,222839056.4,106855822.2,1277660394,219485937.7,0,113842968,568686573.7,596772604.4,130529689.2,0,1214740433,636604016.2,128916917.8,75351312.11,1096388270,151310613.2,0,0,463116541.3,688537543.1,151211707.7,28612015.17,227648856.7,89831804.18,116389002.6,162805469.3,729618455.6,576556228.7,264472868.6,167370934.9,702339267,615633268.8,185398275.5,122346475.6,201593896.1,262658971.4,76684300.31,102832737.2,660892436.6,201511295.1,91354121.62,58006617.54,758933512.9,667312320.3,21406855.64,169285255.8,263010265.4,0,43694784.5,133629794.8,774809147.1,138569105.1,443383714,156958992,298992485,428921060.3,83278170.84,50959198.61,990342915.4,394314165.3,0,426568228.9,0,583439528.9,226653921,40829944.54,980805744.8,390747411.3,134278413.8,49703469.52,69516139.12,309838657.8,107935439.8,86553276.91,322923593.3,476692608.7,116289731.2,35796341.88,0,662339066.8,399902711.1,79963192.95,258703181.7,392315433.6,0,318970536.1,498711276.2,479930662.1,290472732,434287551.3,451758508.9,170213461.8,62516423.71,348285616.7,444668061.8,48084995.99,66397292.84,73165370.29,186005764.1,1322878184,46167385.78,146325146.1,300969545.5,185398275.5,184122022.7,30023081.85,197589660.5,203032293.3,0,405955576.2,194238512.4,32105232.86,232250894.2,172511371.2,14035693.27,72108895.8,259879013.5,8682732.25,305901689.2,132976337.7,39845358.95,387994775.1,209907914.1,332907447.3,248539092.2,199863064.1,40389195.71,595772911,55179368.77,35122880.26,339869705.7,363402767.3,30450134.83,186538264.1,284860215,45208143.52,202233427.6,244155002.8,58828689.46,674711083.5,167051638,150148096.6,84174841.37,218743387.1,184258286.9,20136899.43,128614661,6360451,15118057,31080922,20802766.3,88.34767577,15118057,88.34767577,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"1,6-Heptadiene, 3,3-dimethyl-","68701-61-1","C9 H16",90.1,94.2,100,619,712,100,0.84,false,true,"w11n17main1",25787,0,"None",0,0,"1,6-Heptadiene, 3,3-dimethyl-","68701-61-1","Medium","68701-61-1","CAS-RN","DTXSID10336569","3,3-Dimethyl-1,6-heptadiene","YWOCVROBRVNVFV-UHFFFAOYSA-N","3,3-Dimethylhepta-1,6-diene","7.09E-06","Y","-",4,"CC(C)(CCC=C)C=C","-","-",314.051,115.019,6.66807E-5,0.727,0.749,1.69044E-5,23.317,-87.491,0,0.0473151,21.288,125.077,0.000210863,0.549541,11.995,0.000497737,8.49244e-11,240.171,3.88454,150.235,0.0756394,4.9476,3.62169,254.413,4.35735,-108.202,34.4659,2.9903e-05,"-","-","-","-","-","-",0]
[71770002.86882119,581,false,0,"Decane, 3,6-dimethyl-",168.18785,16.445,69931071,85.1012,12082721122,78459228,"C12 H26",170.2029,0,72.2,91.5,91.8,780,788,1664,0,6601899.704,15239305.35,5002257.281,87059044.91,8750725.358,22241803.33,29537988.26,255917539.1,14237192.46,199468115.2,159020351.9,57080644.75,10658254.55,54933998.04,165993889.4,60955868.01,19878826.62,47549040.48,56498088.43,65187751.77,201025684.5,65501052.07,83597893.9,42203627.2,14220544.79,50208538.05,23604201.23,77575789.54,13300560.68,46066075.67,80410909.16,22598484.26,19639783.44,41799956.59,61878647.58,77834653.43,21866079.88,55716043.23,66600652.7,19851608.53,56386162.83,28480043.04,111537132.8,81799255.05,37676146.76,60733209.54,75579475.44,71176412.12,28021446.89,37098127.63,233348452,40392279.13,13528387.59,59137378.61,485208076.4,48136693.52,21163315.31,72742288.53,186448378.9,36943371.34,52031500.31,35070539.19,63421432.23,52546680.77,176559254.1,58885405.7,103754030.4,18584764.61,92119549.6,41075387.52,148378211.9,32053274.03,70870956.5,97626577.7,75700936.47,25957953.67,66918293.02,16986338.69,59042621.12,52846547.29,76513039.68,324286073.1,98096240.43,16653951.72,61433444.21,24166677.33,77743898.17,41928169.83,55716043.23,51253869.36,150874903.4,30539934.88,104123537.8,28067668.22,111889530.1,33094846.16,41769113.03,68550605.31,36138126.73,35704096.43,46736085.89,80333194.46,37119168.66,57551048.6,60223596.99,15393586.57,110241474.5,28555606.25,17827137.05,59978004.94,17684194.6,82060143.23,13100840.78,61003550.32,172240675.7,74306302.13,103055785.4,95117635.33,55969647.91,301417718.2,190106304.7,23034523.28,48900279.71,88201254.27,40126122.72,29387742.4,207814637.1,22612228.02,40315783.11,164514584.1,55462438.56,49145602.07,124592786.8,20434415.25,27828923.65,115608988.4,9624028.054,45103095.5,117590619.8,19826655.69,39699276.98,150887409.1,42340700.89,60256278.98,77071149.18,38418590.89,43207065.71,125494655.4,48564635.11,61665328.54,69698188.26,62113317.75,40634430.72,52093028.62,5733707.5,9926569,16862641,14224623.61,102.7508123,9926569,102.7508123,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Decane, 3,6-dimethyl-","17312-53-7","C12 H26",72.2,91.5,91.8,780,788,100,0,true,false,"w11n17main1",109159,0,"None",0,0,"Decane, 3,6-dimethyl-","17312-53-7","Low","17312-53-7","CAS-RN","DTXSID2058625","3,6-Dimethyldecane","NQWFSCYWTXQNGG-UHFFFAOYSA-N","3,6-Dimethyldecane","6.26E-06","Y","-",8,"CCCCC(C)CCC(C)CC","-","-",1039.92,186.121,5.67545E-6,0.727,0.698,3.63915e-06,55.389,-69.27,0,0.0352371,22.955,121.745,8.62979e-06,1.30017,0.431519,9.33254e-07,2.06461e-11,982.765,4.71911,193.305,0.147184,4.56121,5.0552,1085.36,6.18423,-82.6126,2.28562,7.43444e-08,"-","-","-","-","-","-",0]
[8792610.342514245,2490,false,0,"Benzene, isocyano-",103.04223,4.773,8644124,104.04503,1480023707,9610544,"C7 H5 N",103.04165,103.04168,74.8,54.3,100,654,981,929,0,384954.1462,2299266.725,319174.5483,1290766.947,411490.0429,1211746.904,1740305.459,621051.339,378169.063,995467.2808,1632024.303,2173297.758,1371795.871,3558740.796,3310607.759,711493.1394,2642702.551,953617.5736,22815193.69,1038453.751,1339094.397,93913732.23,6748996.062,553970.3122,40731698.11,4060696.698,5727172.729,201492.1184,1691917.708,2978031.395,6957820.625,628645.9313,985131.3794,2450281.595,20687703.68,1705447.931,673509.7193,18004154.08,8144523.108,803425.1393,1906632.006,1354294.007,1256067.587,1501910.087,653210.4349,1021061.903,1552482.403,162628.4616,753760.9362,1923167.069,2104208.603,941033.1379,4352726.735,57934322.74,1289838.989,1396583.202,1524020.766,1479799.408,1434647.112,9137440.66,1010881.475,1703793.154,106004793.3,2967600.71,432677.5496,5109018.989,4048853.521,320814.9135,623959.4147,1071186.813,1533494.031,1208575.315,980821.4564,400899.8113,7753666.522,1072525.371,1804659.387,329770.6006,944818.7328,145650.2266,1561287.138,3374884.618,1741462.041,40164880.09,13754629.18,521105.4813,9161410.085,5715148.31,16667472.42,532022.3275,4604930.33,493482.37,62056.31255,205099.4952,2146735.813,2339734.098,1336859.891,1501910.087,677694.2193,3240726.569,205881.8491,560786.4719,59118537.49,188024.9219,10351892.76,86750873.36,614140.6017,2586344.089,1290920.069,51768105.81,28639092.96,20808505.4,261371.2032,442860.4609,25629445.1,11900933.35,746945.3618,33389750.48,152578.8932,3896462.153,1121971.503,1017587.21,905398.2754,41663549.06,1095603.761,4475917.647,1550614.417,12932008.77,2550430.195,436652.9421,140341.6619,4068022.385,1301160.866,20289770.12,15715282.45,864724.5118,1610213.505,2855726.15,904255.5861,1190715.839,1740666.797,245207.6763,760041.4772,1453205.757,15635738.58,708642.8652,152213796.5,1161876.005,59559060.25,2154395.002,1140848.281,24907086.23,1076103.357,137895.7094,200745.5,392490,1141669.5,2556196.305,244.5082507,392490,244.5082507,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Benzene, isocyano-","931-54-4","C7 H5 N",74.8,54.3,100,654,981,100,0.28,true,true,"w11n17_w11rep",2929,0,"None",0,0,"Benzene, isocyano-","931-54-4","Low","931-54-4","CAS-RN","DTXSID50239267","Phenylisocyanide","RCIBIGQXGCBBCT-UHFFFAOYSA-N","Isocyanobenzene","4.85E-06","Y","-",20,"[C-]#[N+]C1=CC=CC=C1","-","-","-","-","-","-",0.575,"-","-","-",0,0,"-","-","-","-","-","-",8.99683e-12,9.35084,5.45404,177.752,0.00206421,0.141057,3.87694,124.239,1.46869,-20.7398,2.3999,0.0208522,"-","-","-","-","-","-",0]
[29541501.888940092,1328,false,0,"Undecane, 4,7-dimethyl-",182.20343,16.309,77412382,85.10121,4117455811,26736726,"C13 H28",184.21855,0,75.3,99.1,99.8,783,866,1656,0,1549658.792,4105749.697,1252893.005,29857201.38,4017632.737,6539985.86,10739041.19,38432647.62,7599788.908,56883662.57,51105055.22,16179700.53,16309126.9,14306897.77,46673536.14,20647602.8,11034572.14,13156500.11,19566387.88,18998799.71,129031965.3,20825778.45,29392652.26,12551293.64,20192766.2,19293482.25,8838869.362,308490.9834,6838945.819,18504439.45,26363942.01,54730.01681,9310462.607,28570639.19,25793468.02,23921247.59,11483317.86,19146140.98,28305585.25,10922517.1,27207708.43,9226581.343,42646165.18,189466397.3,27267338.78,18176338.89,70893901.94,823564.5413,138664.2727,11439258.08,149653876.7,137291.6458,0,19373742.21,197613465.5,128170198.5,9981858.465,29793781.4,83058984.26,15582257.2,18918539.75,16482329.76,42458882.15,0,84015247.65,22615006.55,46316374.88,94027.83674,44327479.08,16147779.47,53350740.11,15715598.92,22539405.76,69910211.2,25772745.83,5113805.317,20946339.05,5768188.386,36345120.25,18948661.21,23790909.3,109669852.8,27091048.48,4537509.027,24586887.44,9319368.552,28051103.73,14424461.62,13521146.42,34378412.73,55689926.06,8898082.527,30416136.24,8345272.923,37011826.75,13065104.7,14237295.96,19146140.98,6990118.169,12696431.22,17817782.39,43326768.78,10377939.74,21990188.68,25015498.48,10172323.14,40101192.28,9207742.25,10381694,19225901.16,5719519.841,25755741.23,3548191.064,20989272,132740035.2,31044483.27,147233130.8,33264022.1,25158369.53,54317557.15,76496962.26,7810963.14,17877156.9,39394199.07,14913481.93,11169247.07,92651495.92,8416822.268,31070003.94,50984985.08,0,18566214.94,43695573.28,7708274.134,17891009.73,48954884.77,0,17098306.76,37793629.3,8089123.126,12353057.55,48487308.12,15857506.3,19572363.99,24444386.24,16754558.87,12400253.31,42221984.13,18719917.97,25582301.04,17664852.47,16859077.81,27704340.21,171423.2882,2978245,6089555,9520326,8366377.429,115.5307933,6089555,115.5307933,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Undecane, 4,7-dimethyl-","17301-32-5","C13 H28",75.3,99.1,99.8,783,866,100,0,true,false,"w11n17main1",145234,0,"None",0,0,"Undecane, 4,7-dimethyl-","17301-32-5","Medium","17301-32-5","CAS-RN","DTXSID50333996","4,7-Dimethylundecane","IEVWHTVOIZEXCC-UHFFFAOYSA-N","4,7-Dimethylundecane","5.82E-06","Y","-",10,"CCCCC(C)CCC(C)CCC",2,"-",874.984,204.413,4.7863e-06,0.728,0.524,2.06538E-6,62.169,-64.454,0,0.0428549,23.646,123.977,4.4157e-06,1.69434,0.157761,5.01187e-07,2.12353E-11,887.806,4.74359,220.853,0.145278,8.69944,5.87396,1532.05,6.50833,-61.7731,0.909971,1.37472E-8,"-","-","-","-","-","-",0]
[4974247.442729226,3222,false,0,"Benzene, 1-(1,1-dimethylethyl)-3-ethyl-",162.14075,7.888,56860274,147.11676,899826353,5843028,"C12 H18",162.1403,162.1402,91,85.3,87.4,845,860,1175,33,377173.828,169188.7671,72463.76062,6535531.511,1772947.255,331460.8953,34819784.21,5279295.212,5554.031018,1386195.917,16874.74568,3486745.181,586716.2016,971867.3292,35921561.79,401047.6712,1701714.7,294916.5408,2769103.312,8082981.158,1878766.242,289265.2971,2116416.948,4859.872075,422701.0253,1345103.834,2494412.315,3221012.812,485808.8664,3641134.982,3088300.841,748791.965,282903.1868,1151874.864,2777582.911,11972974.23,2949009.472,804224.0063,8409133.169,10030.78195,1033933.888,8063864.078,2284950.563,5805.16736,982900.0305,1543955.308,2957484.078,444332.9974,1303675.576,796600.0892,110317422,643118.7567,26122.17046,1074119.048,1993590.734,894216.7621,4471444.678,1812605.845,1784235.041,415224.9372,3094435.339,3401753.051,4641725.764,590362.2164,2075595.025,1788916.621,14776091.86,552713.6188,567990.3546,1250932.616,2990627.649,424324.2375,1569499.551,1543955.308,2143978.101,940735.3896,1343395.906,891637.6401,10388671,709788.8416,7877802.033,1835855.372,40194429.48,770295.2608,808830.3552,1534232.886,2780466.24,886864.114,899629.4903,8714918.952,110048486.3,1364671.533,1979789.615,1617999.887,1463346.89,5313979.107,799849.8821,37755057.41,835889.33,1584407.907,2130310.824,3051940.546,80658.52369,7909819.54,571283.3522,1055307.726,5331489.102,38669.99418,1270089.422,5050523.632,1608549.192,2062394.55,441789.17,1268834.854,1440300.314,407419.7878,142572.9867,13718103.41,393111.8383,40910.75343,2968028.855,67925.78893,789260.8808,3248865.806,552277.6099,2128015.422,1818817.674,302128.8071,3859510.238,4373365.272,1162962.71,1195371.879,1452979.671,1061943.78,722534.8153,49970.60624,302557.6759,1152235.445,5614077.085,299775.5746,4778052.87,56322113.94,659688.903,1835362.396,9192188.405,797318.8074,1634930.945,2702143.156,2081424.006,1760944.421,1962024.721,2229197.026,1840015.253,2117134.725,423331,839586,2029138.5,3238272.781,273.7921754,839586,273.7921754,true,true,"Benzene, 1-(1,1-dimethylethyl)-4-ethyl-","7364-19-4","C12 H18",91,85.3,87.4,844,859,100,-0.64,true,true,"w11n17main1",88631,1161,"SemiStandardNonPolar",14,1.2,true,true,"Benzene, 1-(1,1-dimethylethyl)-3-ethyl-","14411-56-4","C12 H18",91,85.3,87.4,845,860,100,-0.64,true,true,"w11n17main1",88596,1142,"SemiStandardNonPolar",33,2.8,"Benzene, 1-(1,1-dimethylethyl)-4-ethyl-","7364-19-4","High","7364-19-4","CAS-RN","DTXSID40223857","p-tert-Butylethylbenzene","OYBFKZHDPTTWGE-UHFFFAOYSA-N","1-tert-Butyl-4-ethylbenzene","5.54E-06","Y","-",18,"CCC1=CC=C(C=C1)C(C)(C)C","-","-",1032.76,200.69,8.70964e-06,0.85,0.485,2.23357E-5,74.123,-20.377,0,0.0282488,29.299,117.67,4.97737e-05,2.1677,0.665273,1.28529E-4,1.66373e-11,651.259,4.98357,205.643,0.0125717,2.1419,5.21094,3550.07,4.21452,-46.0296,0.463926,1.33156E-5,"-","-","-","-","-","-",0]
[8427513.583816558,2704,false,0,"3-Methylene-4,10a-dehydro-9a-methyldecahydronaphthalene OR 3,9a-Dimethyl-1,5,6,7,8,9a-hexahydronaphthalene",162.14075,9.178,1880462,130.06514,1294756979,8407513,"C12 H18",162.1403,162.1402,82.7,80.3,94.1,527,650,1247,10,863350.0274,216178.2949,287842.1185,78851115.02,3837420.457,1857737.159,6999812.14,2464725.472,4569084.472,2886667.313,1778285.073,147732896.2,4095024.626,23806094.2,1302988.593,14008139.75,2649297.796,4028304.095,4491516.169,0,4348861.228,5648274.478,2985546.716,3796848.633,6179776.901,2180773.966,4146706.927,4061664.361,6403255.554,2660424.773,5372924.29,9082015.805,5253288.199,3151573.746,7303043.85,3044037.082,3270381.677,5197826.278,7869033.703,6027254.043,0,1844968.079,4662395.554,1924438.378,1822061.155,2555910.896,124152384.1,4475238.475,2676552.094,3557728.213,10788721.82,11084013.47,6650628.393,2060156.811,7204728.378,4155385.566,5911593.186,2956731.768,2868647.433,4716582.556,3967943.155,1297839.755,67133786.57,5329610.06,2592518.273,4373958.414,2107626.999,3758504.044,2969336.555,1388052.618,5924123.388,3829990.452,4463975.581,3896966.242,3325081.227,1847777.435,1823936.482,12342134.88,4639992.001,3995813.603,2900211.104,2609943.296,5268798.748,0,4555920.592,1408908.36,4084352.763,8018343.06,1881188.438,866316.2483,125533714.1,2581764.093,34767768.97,1892733.365,5029689.921,1539036.45,5153388.335,4169796.873,5040813.972,3508537.423,2429970.651,4061664.361,3943961.797,1490655.244,5466208.57,2673268.803,6089388.541,11414461.52,25082048.47,6597954.523,1728080.571,5408710.564,4795346.694,1907930.191,5006507.206,3972779.884,3282535.735,4530765.088,3238199.596,4007463.206,4860143.77,4922106.007,2024120.809,9548758.153,6767934.136,3658309.342,8717180.146,6511199.901,2273558.995,3032862.775,7026040.895,4025956.161,5924924.448,3803390.551,13798625.36,0,4181502.867,5645462.299,3843085.391,4203472.281,32820002.7,7019015.739,3517291.525,2251815.324,7410564.342,3740850.409,3910302.951,5484253.931,3201096.298,2200463.059,4041378.997,6273536.526,3473813.214,4081949.724,392209.5,607353,787959.5,1297369.762,251.8864888,607353,251.8864888,true,false,"3-Methylene-4,10a-dehydro-9a-methyldecahydronaphthalene OR 3,9a-Dimethyl-1,5,6,7,8,9a-hexahydronaphthalene",0,"C12 H18",82.7,80.3,94.1,527,650,100,-0.64,true,true,"w11n17main1",88490,1257,"UnspecifiedColumnType",10,0.8,false,"NA","3-Methylene-4,10a-dehydro-9a-methyldecahydronaphthalene OR 3,9a-Dimethyl-1,5,6,7,8,9a-hexahydronaphthalene",0,"C12 H18",82.7,80.3,94.1,527,650,100,-0.64,true,true,"w11n17main1",88490,1257,"UnspecifiedColumnType",10,0.8,"3-Methylene-4,10a-dehydro-9a-methyldecahydronaphthalene OR 3,9a-Dimethyl-1,5,6,7,8,9a-hexahydronaphthalene",0,"High","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[870027.3979440528,5681,false,0,"Benzene, 3-heptenyl-",174.14073,11.932,234807,105.06541,148018576,961160,"C13 H18",174.1403,174.14018,87.8,82.7,94.9,735,813,1397,1,13424.39516,48506.06006,62033.01251,200765.2195,190783.6763,1013959.421,71466.49071,624373.6814,109247.7698,306887.516,116948.6162,791152.126,3507697.587,25257.41814,587770.6957,282301.126,399743.0277,38937.60429,226649.7293,2182021.645,137135.3784,30785.4116,113591.4785,201528.1145,160591.4056,35440.66911,22874946.82,393897.8834,168820.5038,1540714.191,101328.9614,298418.1806,49043.49665,38717.82809,21601.48317,288454.1162,118768.2563,4963.952002,425146.7156,211840.1742,201146.667,20647.59639,111844.1605,301985.5925,370832.5269,356201.2752,271803.4369,104548.2104,421691.1717,35425.15506,535773.9744,454804.7998,219390.5671,35604.08843,202180.0985,876364.5102,81067.77058,54538.16007,1085380.594,43477.1566,590250.0556,51572.97855,470039.6979,0,314681.7145,34468.4093,7018610.216,200113.2355,120484.2352,72259.86686,204502.5805,152232.127,614378.8213,6272953.918,800714.9827,894068.79,931461.7449,550988.905,364647.9814,134256.5187,161529.7551,17772.60668,1404588.346,250954.7306,57889.55168,4484925.869,73300.09702,728353.0431,134851.7962,79281.4459,81329.20069,778856.3909,588191.3711,6138468.813,5818828.577,103454.4769,92134.67887,369067.3219,1064608.666,63637.55175,191541.2683,240901.6832,121550.9145,346370.5793,134923.2295,95782.53972,136694.7755,112940.82,78138.51299,201146.667,147947.9024,91215.57032,1023482.13,3991969.382,82268.06718,310973.7458,165855.6771,216585.769,26417.96873,16146232.28,422940.5627,1061088.605,4587905.506,40702.47081,222026.6233,39116.30813,228863.843,189029.0168,21325.07602,213264.3172,121366.2994,19725.3564,3604972.695,392216.0041,53310.43057,72660.71146,66605.27559,38917.47292,85390.68374,114840.8894,230436.4488,593685.7783,74215.24127,4308456.179,127674.7982,452449.5151,16236.7023,246560.1765,119016.4287,42058.16541,301583.3013,955403.1729,1110124.078,1375912.523,20515.75,57718.5,169453.75,278799.9933,363.7893277,57718.5,363.7893277,true,true,"Benzene, 3-heptenyl-","26447-64-3","C13 H18",87.8,82.7,94.9,735,813,100,-0.69,true,true,"w11n17main1",118220,1398,"UnspecifiedColumnType",1,0.1,true,true,"Benzene, (5-methyl-4-hexenyl)-","54928-28-8","C13 H18",85.2,82.7,86.7,605,632,100,-0.69,true,true,"w11n17main1",118262,1375,"UnspecifiedColumnType",22,1.6,"Benzene, 3-heptenyl-","26447-64-3","High","26447-64-3","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[690776.7946303778,5881,false,0,"4-Methylnaphtho[1,2-b]thiophene",198.05023,20.056,4173342,198.04968,106816489,693614,"C13 H10 S",198.04977,198.04968,79.9,66.6,100,661,878,1904,70,0,0,1824.269044,658082.6244,165948.6384,268681.3905,885719.8482,1884148.461,477961.9942,962411.5496,1497682.016,876672.0713,288169.298,316027.7234,576594.6175,428740.2717,336756.6419,446771.5048,303273.3092,910664.9248,41602.87379,952354.8207,4675636.089,250979.3279,232487.7605,160839.5578,300069.8866,1971824.687,437755.8883,263482.4596,1246697.256,302430.081,11225.41633,379474.7462,827152.5681,347077.6777,378246.3794,590594.7589,1091525.373,1140458.997,1091282.35,173400.7581,1694825.774,697142.3191,10564.83781,381551.4814,452543.1727,635072.5554,534234.0669,259394.5976,1412986.569,2140703.063,386388.2007,293546.9859,1177010.511,1939081.728,684904.1863,280459.3118,1292609.306,278113.917,356147.614,236016.5248,7606.093497,567733.9263,976382.3013,462968.4611,2210901.354,208406.2874,422968.6039,176745.9864,0,236400.9605,6547506.959,394245.9122,740243.806,101474.119,506237.8576,208291.8711,390006.7763,408772.2479,855654.3588,522038.1305,1328217.6,347350.2754,473617.5344,261014.3586,810514.3079,468504.5278,760156.1349,457964.737,895797.5008,409980.2918,722841.6983,282470.4734,1042485.408,535649.8044,184589.1084,19181.22696,296921.5025,341589.318,274043.975,703025.0716,617627.3499,1984665.519,488854.5765,30790.99953,597443.6034,1806548.075,259142.675,304552.5746,370398.8118,437755.8883,220028.7236,242868.5978,3658352.971,311899.7002,661248.8884,52204.62247,154682.5102,893348.7484,768370.3677,268099.9241,1028893.429,736138.8055,276251.1214,120590.2501,3450380.582,336626.8706,0,2344524.56,368537.7478,462985.8275,508506.7944,336875.0844,0,466074.9121,128995.0965,281304.1752,2053646.941,251027.5233,192409.2004,526938.0301,1436386.254,600445.5591,412525.949,953710.0034,471539.2399,530411.2119,231962.1647,189450.5641,175731.7676,196070.8074,516734.0864,738032.1153,166044.5,267169,493296.25,430832.473,126.1324214,267169,126.1324214,true,false,"1-Methyldibenzothiophene","31317-07-4","C13 H10 S",79.5,66.6,100,644,860,100,-0.45,true,true,"w11n17main1",185855,1907,"SemiStandardNonPolar",3,0.2,true,true,"4-Methylnaphtho[1,2-b]thiophene","67388-11-8","C13 H10 S",79.9,66.6,100,661,878,100,-0.45,true,true,"w11n17main1",185873,1834,"UnspecifiedColumnType",70,3.7,"1-Methyldibenzothiophene","31317-07-4","High","31317-07-4","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[11129383.651454303,2246,false,0,"3-Hydroxy-4-pyrone",112.01609,5.232,18754070,84.02058,1762175338,11442697,"C5 H4 O3",112.0155,112.01554,92.5,89.5,99.5,833,902,983,9,252546.306,511759.7945,1860904.434,3514446.304,8752443.19,15683788.8,12431136.86,6719929.941,1958782.418,12995829.24,785461.3172,11862152.28,6711186.376,19339386.62,515711.1493,4479618.767,5773628.578,20253549.11,22773206.52,6947543.195,14712843.05,26956660.97,598541.6547,18349208.26,12588790.8,9193727.476,9604907.029,9399317.252,9545652.202,7010155.072,10438798.49,11278391.12,12911478.33,13965365.97,22206558.35,4458840.071,858591.5386,25147202.58,29495729.82,8895313.272,3701072.387,8466393.079,10397591.68,444082.9885,280604.2975,6307502.751,2197129.079,9859255.661,5543853.967,22657335.69,7964698.809,9422049.791,31901380.69,10542086.67,2324093.961,7369403.488,8535147.496,17977454.57,3190608.337,10011255.44,9204056.783,48901746.25,32749699.04,13068501.86,670855.2933,14333782.24,6312716.497,16153927.9,7765860.417,21069241.16,7943796.055,9376584.714,9399317.252,16483122.01,9825964.546,4775359.644,2710282.268,10990169.43,4147278.029,18640309.29,1373245.135,14799321.2,13695532.64,16544550.69,920204.4196,3324335.067,1747558.793,12108747.55,3329851.537,3251142.138,9646568.151,0,626087.7981,7321377.922,14598035.5,6177464.352,2993389.491,14548516.75,29096839.26,6751674.664,7856928.795,2441365.721,9755037.652,6715216.516,19153090.93,24740756.41,18503362.79,13624832.35,9925453.78,27595700,4747025.378,24008984.57,17568685.18,6066636.114,10975195.72,11167025.69,29584551.33,20627245.74,42765377.1,5495775.457,3993091.534,6662272.883,6784681.762,19512007.68,831578.9926,8900822.737,24036421.29,13238182.81,9078020.95,4067636.405,6239789.904,22231436.26,11005936.71,9479945.672,9593277.009,28626779.21,9318688.833,16970997.17,7143048.574,16148321.22,2205428.957,10912626.82,12719079.34,8107097.86,11831710.53,5638725.974,18521624.88,641460.8212,8292697.204,6103771.358,1125267.9,11553316.5,5708540.95,4410508.906,2970925,5112212.5,8170471,6355003.24,78.39949982,5112212.5,78.39949982,true,false,"3-Hydroxy-4-pyrone",0,"C5 H4 O3",92.5,89.5,99.5,833,902,100,0.41,true,true,"w11n17main1",14685,974,"UnspecifiedColumnType",9,0.9,true,false,"4-hydroxy-2H-pyran-2-one",0,"C5 H4 O3",90.4,89.5,99.5,729,807,100,0.41,true,true,"w11n17main1",14686,1039,"UnspecifiedColumnType",56,5.7,"3-Hydroxy-4-pyrone",0,"High","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6394475.335074836,2982,false,0,"Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl-",159.11731,12.831,18722543,160.1201,1052340718,6833381,"C13 H18",174.1403,0,75.3,100,100,765,785,1448,6,455069.1951,675109.2088,419614.2347,1430881.992,805938.866,0,2397465.585,12438660.73,9557006.593,9374933.567,2542978.411,28346160.9,912507.9603,307795.4971,7992802.423,969043.4445,3426012.186,0,7300750.562,54957841.91,805997.5736,8885094.398,1223576.41,1095602.5,11730616.9,3150761.285,27768230.87,3020855.984,1110650.966,2979029.721,6985930.16,38447245.78,532205.2933,2234874.978,4151986.339,5414514.52,15248325.8,1987138.121,3058105.179,2839033.714,484771.5212,3373180.068,2812759.9,2846869.848,1719161.512,2177683.182,3079778.748,1491688.439,716391.059,1802970.57,6882254.338,2329164.366,26380705.22,5529305.705,1876322.412,4940795.188,851726.7466,1187365.281,876302.9739,1251924.198,6059443.756,2613960.948,8628648.712,3881373.256,2001094.028,20637097.08,9627933.313,1261948.133,1756437.151,18346891.65,5509703.761,20757911.88,1519088.214,11775959.98,406526.4837,6075621.143,35397808.92,1347643.091,24645434.27,25277895.69,2446407.442,394700.159,46998143.87,1202429.908,2275108.662,2846869.848,6883899.678,6065560.078,30626902.14,3768705.796,2245812.669,4430390.038,6375390.579,260055.668,4556729.577,1637973.419,1024394.787,13443279.7,1902268.454,1903151.083,5432266.332,0,14245645.07,7320892.896,10128442.27,0,20822577.08,9165662.362,1629677.613,2735036.535,1027495.425,1388212.049,1931491.275,2378303.178,3541534.593,1815397.431,6091195.849,2988193.338,1596904.293,5395766.82,4778208.511,17891066.53,2347258.297,3075258.446,20875834.96,806462.757,5049793.493,2755207.546,2114709.239,2836422.724,12255021.62,1765627.059,4297054.694,4842121.001,10833603.71,2004054.779,911905.1478,8700241.359,2122920.977,8011001.302,1053039.004,9578489.3,2857316.971,2531427.635,3265915.574,3784496.296,1509546.114,7677773.695,701991.5234,2735313.189,641003.9985,566805.2874,2687525.357,1208389.682,324368.5,593996,1425839.5,1473601.034,161.5192188,593996,161.5192188,true,false,"Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl-","30316-36-0","C13 H18",75.3,100,100,765,785,100,0,false,false,"w11n17main1",118331,1454,"UnspecifiedColumnType",6,0.4,true,true,"Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-","475-03-6","C13 H18",75.3,100,100,762,805,100,0,false,false,"w11n17_w11rep",12980,0,"None",0,0,"Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl-","30316-36-0","High","30316-36-0","CAS-RN","DTXSID70873046","1,2,3,4-Tetrahydro-1,6,8-trimethylnaphthalene","PGZQTASRDRGQAJ-UHFFFAOYSA-N","1,6,8-Trimethyl-1,2,3,4-tetrahydronaphthalene","-","-","-",7,"CC1CCCC2=C1C(C)=CC(C)=C2","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",1.73735E-10,1413.8,47.0141,227.355,0.0121871,11.6031,5.74341,3412.86,4.46507,-12.1368,0.0399561,1.59967e-05,"-","-","-","-","-","-",0]
[17029007.525223184,1736,false,0,"(Z)-Bicyclo[6.2.1]undeca-1,8-diene",148.12511,7.553,165313068,106.07774,2667717873,17322843,"C11 H16",148.12465,148.12456,95.4,99.8,100,771,898,1156,86,1669831.208,856967.8703,4899184.986,7886167.351,6255809.697,194924.4692,9997878.444,17566775.84,2379406.859,1696026.801,4581081.217,4338140.044,23678115.58,353471.4163,41231044.66,3294622.517,8252139.308,577790.4402,23906540.95,447779581.6,7975718.896,777178.8079,9632602.617,6344876.389,3872510.47,1726214.998,19531725.43,17927457.75,6300343.043,2052541.667,19040067.89,13752057.59,3551707.473,1794439.611,3944995.317,58440200.81,10682166.94,1791234.061,41444847.57,6132396.427,8898780.955,1649247.664,9086934.643,8516857.286,410468.3299,816162.5481,7803493.336,4654356.351,5028631.859,1221631.277,10577330.7,5394198.498,2859901.942,934298.5308,1585214.837,87660652.03,7055708.45,24755817.88,6164933.418,15509250.33,16056788.56,1489729.983,19378747.87,6435752.668,9517663.02,883965.8535,44169158.87,4131954.497,11785223.75,773215.7222,10091254.89,5272117.977,7558100.959,1720748.666,2340428.543,13742472.47,10063471.1,3586072.043,54092619.56,11944458,18776292.72,2063388.142,4127935.946,35810504.39,14536775.77,4767885.624,5709411.98,63252121.15,6300343.043,12011675.21,4413169.489,14855472.29,21082389.89,1805652.058,2566718.926,76869209.96,1007896.741,61001639.18,8610836.141,10100769.05,3523083.553,2645791.649,6714061.67,2620856.233,6593041.568,1158841.499,10421364.17,13451564.68,809076.8478,3076133.886,2018360.919,5224560.265,5754838.342,970269.7758,6636553.57,13846446.9,6359362.324,5696540.01,10675125,29140324.25,5371162.897,428776606.7,2882581.418,4770842.891,12694751.82,2543906.35,6135122.686,5296813.496,23942399.88,4394089.937,61923442.45,4775522.156,30928678.11,3501925.954,5137122.744,12511145.89,6376676.568,2907688.032,2956488.834,3697090.729,2182478.712,15287132.29,14710967.67,0,6241323.762,23666582.62,0,3164615.271,1391058.263,21845954.32,13697046.69,16164057.43,14760018.29,13435939.82,497018,1401264,2754189,3962763.188,361.2448103,1401264,361.2448103,true,true,"Benzene, 1-methyl-4-(2-methylpropyl)-",1191153,"C11 H16",93.1,99.8,100,658,868,100,-0.64,true,true,"w11n17main1",59865,1141,"UnspecifiedColumnType",15,1.3,true,true,"(Z)-Bicyclo[6.2.1]undeca-1,8-diene","89398-46-9","C11 H16",95.4,99.8,100,771,898,100,-0.64,true,true,"w11n17main1",59904,1242,"UnspecifiedColumnType",86,7.4,"Benzene, 1-methyl-4-(2-methylpropyl)-",1191153,"High","1191-15-3","Checksum Failed","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[137444891.4182848,393,false,0,"Benzene, (1-propyloctyl)-",232.21898,16.078,242662057,92.05755,20329525205,132009904,"C17 H28",232.21855,232.21843,97.9,99.9,99.9,895,896,1641,2,3482805.499,986652.7439,199833.7517,153546118.3,63752200.16,84263351.73,221311051.7,215831209.1,63988048.88,90167217.56,216547528.5,160744254.3,80028715.95,96807009.01,114162167.1,165497391.7,42952671.95,95603217.76,101005218.5,81437326.14,63586912.86,84720368.5,88966084.64,42161671.85,46520227.2,43037403.15,95671112.88,172852051.5,42735243.45,33793385.48,89566651.1,3515492.721,842421465.2,40719151.83,43981401.91,52502103.07,116737629.2,40416114.28,132870247.3,945221460.4,196558323.6,54396511.82,206451264.2,95455725.89,139958893.6,43202788.85,193490780.6,11388233.18,88090149.86,38845504.78,455932401.8,98576727.54,154219305.9,96045429.96,403302407,4606867.082,45027790.48,52564546.26,135801775.8,22521219.45,38503217.06,43583851.65,123670664.8,87915825.43,137553793,91043152.33,130499067.8,1704632.353,153175787.2,65454615.99,104473733,41503790.51,205684047.2,93252402.73,213530395,9719104.848,93639331.64,49300207.81,152105624.2,251457344.2,65116924.51,67271339.79,234607400.5,17135851.81,150706781.4,77924091.78,122703714.7,3448808.176,93535419.79,550495790.8,106409855.3,38224138.62,87779237.8,73971492.63,168263251,92804434.5,89566651.1,101054473.5,130678078.1,157623002.3,64117185.64,2213047477,48946748.84,43629387.84,168537412.6,97517056.63,115135431.9,1587359.735,67135371.59,72797728.31,86974363.28,37344718.25,3258977.99,34652677.25,153475582.7,154117665.4,44277091.86,127273554.9,3401174.409,201184186.3,88677295.29,3363087.196,184102014.8,832420924.3,4460566.438,61240401.72,122321079.7,90456006.9,102225318.4,87810526.81,3779109.066,53765470.47,153143847.7,4633615.136,64692075.75,608141199.3,4079944.302,110903415.6,135691641.5,87845451.55,680069933.1,64586539.05,3947507.799,45868192.39,70124272.38,84542826.4,170908626.6,212883210.8,76726385.21,50942029.21,212419926.7,119225315.4,202767999.4,93832844,5484777.5,10176065,16173190.5,15292696.32,167.9240826,10176065,167.9240826,true,true,"Benzene, (1-propyloctyl)-","4536-86-1","C17 H28",97.9,99.9,99.9,895,896,100,-0.53,true,true,"w11n17main1",299920,1643,"SemiStandardNonPolar",2,0.1,true,true,"Benzene, (1-propylheptyl)-",963486,"C16 H26",95.2,98.4,100,792,844,100,-0.45,true,true,"w11n17main1",250983,1546,"SemiStandardNonPolar",95,5.8,"Benzene, (1-propyloctyl)-","4536-86-1","High","4536-86-1","CAS-RN","DTXSID80874983","BENZENE, (1-PROPYLOCTYL)-","NSQAXMRLBNXEHK-UHFFFAOYSA-N","(Undecan-4-yl)benzene","-","-","-",19,"CCCCCCCC(CCC)C1=CC=CC=C1",5,"-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",2.12061e-11,624.446,4.10451,305.667,0.000610588,3.93341,7.80916,9145.86,7.58214,-5.96581,0.0061063,1.11467e-08,"-","-","-","-","-","-",0]
[45296675.602591395,1077,false,0,"lepidozene",204.18768,12.332,27123276,147.11676,5563129083,36124215,"C15 H24",204.18725,204.18713,95.2,96.9,100,820,820,1420,79,4317724.137,3605689.672,943343.3143,38650521.1,53331272.22,1163694.428,11362081.05,11678905.31,14119303.42,4201730.753,17659323.41,33340888.15,32258318.75,3682979.952,158021607,38534117.87,115917270.6,535119.9767,3414050.547,28450953.72,1484492.719,828895.9876,62021738.68,37192594.5,25532695.83,1562358.933,192154233.8,6422478.726,61345813.66,6248848.404,639435630.7,175952708.8,15112365.18,2061707.234,21596009.62,449913033.7,55497763.39,1721125.849,828287308.9,37772451.35,7979999.225,5930975.283,370084335.2,156052762.6,9718176.043,2739633.787,114367400.8,19969146.15,15750471.04,1139609.083,154776558.1,39385892.74,1612172.83,4297678.973,46046950.51,58887820.15,39196946.71,2302222.615,1831913.067,8544145.8,14352993.23,143572799.2,49884559.11,35225315.53,2299705.813,30821519.57,23222873.09,1563482.134,9225448.363,30455249.43,66218240.2,16282905.85,2143371.387,36734319.96,45016858.47,59568967.45,58094471.39,48263045.46,184779155.4,2200310.801,26896864.68,57239401.35,21596009.62,46733173.55,16928571.26,80834923.81,2103821.798,2356577.191,25908692.56,1480264.111,2351432.425,67818191.35,36948039.82,21524379.14,2146601.324,21138532.36,18937234.16,3905006.245,26202631.78,16220531.88,2265669.896,1946023.972,25551533.96,43182472.94,26991623.05,24097302.11,3417090.902,24411775.42,22245359.68,1040208.804,2491118.617,1715278.413,17239146.38,27723925.51,10743700.49,37009031.12,22221059.53,2469424.303,34710028.89,59417271.44,6077538.942,48575142.44,11267570.51,8529153.433,21074965.18,29433832.57,2068034.228,21629962.96,44230416.93,2952103.913,9381328.684,35458399.61,6678985.671,21562056.28,24560646.25,2369660.294,13549300.85,9287945.417,6171197.348,17167181.36,55970675.51,5856015.297,24072123.81,55114540.11,3097040.11,57897050.47,45190962.77,4636851.566,9046438.674,39577876.28,40679766.06,32242852.06,77788418.99,47435258.81,1708130,8592885,17217333,14635748.22,146.6279853,8592885,146.6279853,true,false,"Presilphiperfol-1(8)-ene",0,"C15 H24",90.2,96.9,100,572,681,100,-0.58,true,true,"w11n17main1",204331,1432,"UnspecifiedColumnType",12,0.8,true,true,"lepidozene","133005-43-3","C15 H24",95.2,96.9,100,820,820,100,-0.58,true,true,"w11n17main1",204668,1499,"UnspecifiedColumnType",79,5.6,"Presilphiperfol-1(8)-ene",0,"High","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[39646795.40851471,1079,false,0,"Nonadecane",168.18779,25.909,115975558,85.10131,5542075903,35987506,"C19 H40",268.31245,0,77.4,100,100,867,900,2361,0,0,0,0,22329645.57,155954.7173,20753824.43,1299457.542,255492110,1268227.259,52407795.12,5023568.127,45291572.86,25217465.66,12883345.09,221903869,14006490.64,1990578.644,38064617.94,381342.1896,73284786.97,716211.0252,102316622.5,55261948.69,33161892.38,0,144493.9758,29366865.5,1617393.667,485166.3052,27415820.42,54459128.24,307891.3729,13350364.16,21541735,43581980.67,9192384.686,12770434.93,62113948.02,148126287.7,56377021.73,552704.5798,19450379.26,65390092.07,601916.8434,74448500.84,21630671.01,1113029.27,50532761.78,287379.8974,24751556.34,36641944.36,15835343.26,30908531.82,20319541.55,100207462,26148336.42,131959.7422,13731065.58,159500486.4,0,6835306.773,9910939.622,68353499.35,292207.0792,22763928.45,7315487.483,182649075.8,544548.2953,33806364.12,12299361.02,48588630.78,30124242.53,28486236.82,34407106.67,28454951.17,1872217.436,7593704.218,6167487.971,8734661.811,51251417.84,10395283.46,26379419.96,67636407.28,34710973.21,21541735,6465353.301,20336214.1,17694682.79,22343365.34,16585778.02,41984999.22,27180018.01,17691511.86,35770538.35,36949181.2,103777185.3,41624883.98,59790105.96,24865321.32,19323463.39,7370994.648,23174440.39,21038806.79,23765262.85,266862.56,17018372.77,12213935.85,15949226.73,11128199.11,39508312.95,18654859.27,29224762.68,178507.7039,9382174.337,85946303.5,252347.0499,926054507.4,213916205,0,47064439.27,10179774.54,10044469.85,73952555.94,39870239.96,17714369.66,4965733.467,63656259.18,256866.0599,64218274.62,146093800.5,38922574.06,71692232,56778320.48,14164556.37,31061979.41,26222927.62,11604203.37,19667094.73,165691309.8,23416375.27,11392769.04,35910947.19,325093.8879,39370103.6,18783890.2,15284260.06,40274678.44,31177955.65,5384946.343,94672.33652,9153381.954,262456.7208,16948283.11,276528.3645,4973295.25,12032039,21412452.75,20764716.73,217.6941084,12032039,217.6941084,true,true,"ssa-4,6,8,10,16-Pentamethyldocosane isomer",0,"C27 H56",76,100,100,799,828,100,0,false,false,"w11n17main2",226679,2385,"UnspecifiedColumnType",24,1,true,true,"Nonadecane","629-92-5","C19 H40",77.4,100,100,867,900,100,0,false,false,"w11n17_w11rep",19140,0,"None",0,0,"ssa-4,6,8,10,16-Pentamethyldocosane isomer",0,"High","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2738500.1093683452,4970,false,0,"1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-",236.15651,22.751,2237112,236.15596,284614134,1848144,"C18 H20",236.15595,236.15596,91.6,83.9,100,901,901,2103,0,27887.71878,50107.93343,9750.32153,853079.4234,44581.76018,396245.8843,12355665.33,0,162471.9597,2641011.933,0,764519.1567,1993864.964,463534.9008,10014365.58,39395.08974,1682290.983,3859000.833,1087535.287,785901.8777,99445.06176,776512.1026,6678116.865,209119.2081,1932247.844,1378382.258,7633690.404,22720480.26,129721.19,214237.3613,41857901.46,476149.5519,665557.8321,14782920.54,13215264.37,4949144.995,440430.8512,3482114.903,15599436.19,819490.6505,510521.0831,716394.7675,36882280.84,226923.2068,2256490.09,464492.7942,19282233.96,138621.0252,285549.8525,2409951.508,9734060.516,454893.2945,521880.0902,131773.2576,21235914.39,1721822.838,313732.6318,1620288.746,286814.5303,1373450.373,112597.4519,2346954.103,1534815.034,112710.5532,1408943.607,852999.4713,785981.8298,3440365.739,352526.3663,460651.1772,4348630.602,487363.64,1421123.873,948089.3273,625996.9247,840447.0029,701591.7428,3278952.575,819490.6505,1418343.89,282838.812,161095.1244,3314182.961,1400933.023,1013231.87,1748206.432,650510.274,5787567.823,564284.7547,479993.1367,566748.1765,472326.5996,3487480.081,902579.3359,945660.4395,414528.2774,42275.31134,1448768.3,563024.2655,352781.5736,1733425.901,287069.221,3311460.534,2226461.359,1872655.279,392783.3998,0,998031.1757,191772.784,669987.4222,2531649.393,4597044.406,369472.9831,107320.0075,543186.8986,1810554.999,0,1920292.067,220892.7911,5705622.87,4971983.974,165036.7623,1727114.029,232566.5527,236572.1644,1656144.234,8939505.2,103960.4573,1129971.913,0,3847223.065,183850.1558,259734.2427,943367.8989,445985.911,911981.3356,717579.3603,250879.2448,566608.5999,1809590.685,3555629.375,533219.2308,1128043.285,192324.9915,7488750.556,5305775.67,489899.2829,431029.7731,261551.6035,726999.9654,1771528.102,2877401.44,1460258.699,2032254.476,43909,121128.5,299546.75,281618.911,152.2818302,121128.5,152.2818302,true,true,"Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene, 5,14-dimethyl-","16620-99-8","C18 H20",86.1,83.9,100,626,673,100,0.03,true,true,"w11n17main1",314644,2080,"UnspecifiedColumnType",23,1.1,true,true,"1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-","3910-35-8","C18 H20",91.6,83.9,100,901,901,100,0.03,true,true,"w11n17_w11rep",17888,0,"None",0,0,"Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene, 5,14-dimethyl-","16620-99-8","High","16620-99-8","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6743452.501005495,3001,false,0,"Ethanol, 2-(3,4-dimethoxybenzylamino)-1-(2-methyl-2H-tetrazol-5-yl)-",179.03928,13.514,4070579,151.05011,1038598733,6744148,"C13 H19 N5 O3",293.14824,0,49,47.4,47.7,500,566,1487,0,0,0,8101.665439,1059607.966,3460416.909,5069374.045,8782173.704,12176964.3,16594348.59,1016740.707,33010.60491,5345630.152,8530514.271,68789.36194,2440024.431,1393440.073,2050305.366,3621994.104,2810909.896,4783675.725,8145361.875,6490984.367,2138170.737,10242592.89,7047425.949,5999473.155,47254667.25,2599688.013,16926593.7,960508.9439,4926524.885,34059414.06,17405438.58,6165137.822,6945941.387,3539233.739,14449.3598,4634316.903,7182464.315,7145734.508,129939.8237,2300154.953,9267758.331,6962213.984,0,4294857.347,9416647.358,13814417.15,2126067.237,5615892.988,7904536.694,13388460.48,30565336.4,1840378.587,9358731.272,5878921.877,9006043.113,2858588.426,3179650.506,2202481.964,4018436.412,3427412.844,4435543.871,8775787.929,2844918.403,6390076.129,1189455.96,6355292.127,2511677.433,1282499.555,4390876.231,5417505.899,4048928.309,5339383.028,7212985.754,27546.88951,1474314.046,1925941.188,2211389.476,14791888.85,3358749.747,4447551.696,225735.1169,5806883.054,4926524.885,4082004.66,1956776.884,28035710.29,3419893.926,13641371.57,8411291.139,5900337.869,5847999.407,2583150.096,4689071.827,2443877.943,8475316.161,7736916.421,8872809.805,4924428.585,6497237.353,5430515.595,7012581.976,1731820.034,25548368.64,2689389.831,1730031.275,10842992.97,4364189.247,12960588.71,1434346.264,10332022.96,8451214.986,1954046.673,3321951.383,6007713.994,2160990.236,9856745.581,2361878.121,10434819.77,202004.8413,1695309.78,4500028.243,12530451.63,3943816.831,5353021.527,19686988.09,7196837.224,3756274.932,6144146.927,12694471.75,9265382.897,8288046.089,9112754.096,13825866.4,20467658.45,3538805.173,8404891.221,7634158.487,7686343.345,3606454.949,1212653.229,3898760.783,3679221.37,36050029.05,2925546.859,8389015.658,42682.51587,1652783.309,2311861.473,3711194.245,6764057.703,3352749.812,2582230.613,432942.25,857755.5,1432436.25,1195629.373,117.7040016,857755.5,117.7040016,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Ethanol, 2-(3,4-dimethoxybenzylamino)-1-(2-methyl-2H-tetrazol-5-yl)-",0,"C13 H19 N5 O3",49,47.4,47.7,500,566,100,0,true,false,"w11n17main1",511491,0,"None",0,0,"Ethanol, 2-(3,4-dimethoxybenzylamino)-1-(2-methyl-2H-tetrazol-5-yl)-",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6359212.039858275,3147,false,0,"4-Propenylidene-bicyclo[3.1.0]hex-2-ene",116.06257,18.649,3498658,78.04182,947895398,6155165,"C9 H10",118.0777,0,67.9,94.7,100,502,542,1807,0,0,0,0,5939504.225,14349276.56,1722130.619,4946439.986,8139172.153,2042670.383,2612887.719,11909351.32,85349227.54,1421407.989,2385214.489,2282059.594,8991339.421,1973741.075,4058714.459,2261421.833,4099833.995,1962459.144,2603715.004,2631741.803,3235652.336,791081.3937,1086846.349,1056228.81,118785163.5,1247551.87,1707830.23,5566341.56,1300649.951,15806876.69,2739668.383,1513848.058,2255732.462,4479449.832,1490966.799,5308943.367,2608301.362,6317625.116,1358779.256,6518441.695,2096841.109,109624032.2,2028442.998,4764853.425,580564.5058,3790266.517,1919912.115,17416925.22,2758151.84,1381224.002,864474.6971,16234678.8,2458450.884,1613062.502,1087890.129,5999276.08,1343280.366,1984324.697,1627688.375,3529445.093,2375300.458,2910792.584,3055114.801,5279153.469,758071.2248,5469946.932,3181550.442,5900912.357,1221872.68,6596570.787,2982621.675,5951053.685,470333.6381,2958222.622,1645909.041,3177219.881,2348794.399,3308886.662,4651152.22,7558046.158,488749.4681,5259894.011,1773185.734,2608301.362,1024698.785,4359403.468,1936085.148,2392352.063,19068759.51,3033581.53,2129341.226,2517528.481,1589135.009,3878834.829,4326598.189,47806792.81,1868896.824,2096535.948,22999322.59,25670627.09,2456282.399,4889241.496,1523893.282,1265349.372,1659642.793,27099521.33,3533631.505,2857394.032,2207855.67,714037.3086,1896159.424,1980564.778,2219044.88,13925169.63,3832675.543,1239431.291,6495882.844,4426290.413,2735377.893,4343141.608,6017619.535,2062142.717,978756.7534,14257687.49,2113915.849,3200413.794,3389500.863,615493.9423,1976393.653,3664640.46,1052331.605,3722054.43,8681255.254,585504.6783,2289341.143,3345611.813,1876554.394,7031226.908,500023.3754,1462887.009,1076436.07,2104419.249,1676518.863,3096998.435,3686781.343,1504104.396,2481224.831,4090244.049,4924118.146,4895449.837,1988555.965,332503.5,562264,955795,1353212.444,253.2594942,562264,253.2594942,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","4-Propenylidene-bicyclo[3.1.0]hex-2-ene",0,"C9 H10",67.9,94.7,100,502,542,100,0,true,false,"w11n17main1",21083,0,"None",0,0,"4-Propenylidene-bicyclo[3.1.0]hex-2-ene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[14278323.079897363,1982,false,0,"Dimethyl(1-cyclopentylethoxy)silane",129.03728,4.768,41936064,103.02101,2184312671,14183849,"C9 H20 O Si",172.12779,0,49.7,49.1,51.7,504,526,928,96,889037.2219,1208883.341,846129.5724,3845641.732,4265171.547,3840267.037,817085.5029,4785441.606,0,52740877.94,98683702.58,0,172086.7387,2386698.979,41129605.93,16840530.75,1172396.648,2499988.808,20881628.8,6269055.247,5120454.099,4303665.098,340172673,42523588.76,1349335.674,63053.83859,2086283.148,3269129.08,3815134.279,420221.6738,9048321.356,7500263.011,5670811.973,28195342.48,1654465.124,727082.2416,792633.2167,303031.859,4055406.64,7802567.415,213708.0828,259495.9594,8581598.274,5500615.425,9406169.883,6378945.586,3248648.439,44921356.95,352671642.3,996183.7659,5899971.079,16777379.39,337022.401,338614.6978,579992.039,0,21158959.36,348135.4775,29526973.94,4862164.841,2677946.173,846210.86,12765261.77,31647533.74,0,12106265.41,2008571.008,688466.2258,14600214.68,3226793.547,5445720.984,151669510.5,5942401.496,11552996.82,11197073.7,4790157.422,3238517.386,2564347.623,9489466.407,18657056.69,0,6710710.468,24056842.38,5196512.119,10486978.7,353883.2205,12783380.4,8683646.467,14322596.32,4055406.64,15594416.71,18018396.49,379143.2735,4000252.509,2398354.089,188009.0005,525419.1101,772119.3415,75498187.93,344264.9251,2342206.953,2677361.632,203034.941,0,8188290.785,463163.8369,13507812.4,21896035.94,169288.1567,7490758.456,436206.4376,1407908.295,1489985.185,3797352.278,1867119.584,4186339.491,2567851.091,2707841.436,10541853.15,66139.87569,913552.6024,4500063.568,2188019.857,30470170.13,24700950.57,200420.8914,4950369.842,17372833.38,337739.2482,15603835.73,2904036.224,373042.2043,2681132.464,1584984.946,22551816.31,12521048.98,2238798.53,6113000.777,93884.92372,21637102.21,7001987.452,8021007.227,17977335.16,6225349.682,15553237.01,19530577.98,3924473.788,0,138823.3948,3165056.706,0,162244.1851,38955677.89,24733407.04,333495,1096100,2713560.5,3815034.846,348.2235502,1096100,348.2235502,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Dimethyl(1-cyclopentylethoxy)silane",0,"C9 H20 O Si",49.7,49.1,51.7,504,526,100,0,true,false,"w11n17main1",112567,1024,"UnspecifiedColumnType",96,10.3,"Dimethyl(1-cyclopentylethoxy)silane",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3966659.727349008,3833,false,0,"2-methyl-1-(4-methyl-3,4-dihydronaphthalen-1-yl)-2-propanol",200.15645,18.078,12066019,200.1559,615194603,3994770,"C15 H20 O",216.15087,0,62.2,80.2,85.2,508,780,1770,81,78294.41077,205249.489,55235.88992,2870001.319,769798.5531,1159987.526,2931679.853,2913877.221,2526233.306,2662484.907,1851419.375,2461699.965,713586.9442,1192476.131,7621585.898,3655421.482,5421752.262,1997215.741,2611012.151,1577041.708,1096919.908,1364994.007,1554723.755,10534719.08,1416236.846,944829.554,2591635.224,23079384.02,407473.7669,1230605.706,9775162.666,1360277.213,5002799.814,1574044.427,1450552.872,1684165.791,3626277.389,1207320.723,7665477.649,1554617.883,38815625.92,616436.7399,5100416.18,2715588.969,10589271.88,2229457.853,3427433.172,3840675.647,1555977.617,1206750.72,35744737.79,2035250.246,4628850.06,1564083.89,57876006.08,1931077.437,4058451.404,2423665.46,4758147.521,2034286.127,1279472.148,673007.7698,4522489.995,1738613.398,2932566.758,1378953.871,5466156.165,2640673.759,1687045.027,1112142.354,2011238.409,3598552.289,1976047.547,2924444.37,2242279.429,1599864.228,3631527.144,829958.588,5643680.705,1190744.594,1914412.604,1917730.794,4246157.505,765679.3742,1955664.382,4775668.594,1366088.923,2619102.399,2479944.04,1683332.971,6957837.962,1689752.326,6962749.568,1539839.835,4012753.426,4319357.565,1893344.1,4783315.85,4905512.035,1227004.81,1487245.675,5838271.675,2124503.689,2229457.853,5021123.241,1354757.962,8351477.567,3357419.559,1885970.98,2424265.848,935358.2229,3326453.598,1221430.708,1705612.244,2387327.443,1724367.818,1942488.758,3521400.501,5616336.49,2736543.105,3666377.513,1847139.484,901369.6599,1779533.732,1107156.05,614737.4878,3549275.633,3141545.883,1164322.446,5351988.631,8151120.49,1652745.31,2991830.888,3920175.464,1768573.199,2415860.629,554970.4657,1000730.426,2717438.505,1367366.071,1973864.733,3831538.332,3673579.247,923053.8283,2071588.263,7872606.062,1295490.871,3379176.783,1370772.154,1255370.684,12689297.39,13537212.07,12512960.19,1416646.358,293825.5,443503,825713.5,810016.0464,165.5024805,443503,165.5024805,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-methyl-1-(4-methyl-3,4-dihydronaphthalen-1-yl)-2-propanol",0,"C15 H20 O",62.2,80.2,85.2,508,780,100,0,true,false,"w11n17main1",243978,1689,"UnspecifiedColumnType",81,4.6,"2-methyl-1-(4-methyl-3,4-dihydronaphthalen-1-yl)-2-propanol",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10471367.210966557,2677,false,0,"(+-)-3-Benzoyl-1-({(1RS,2RS)-cis-2-[2-(tetrahydro-2H-pyranyloxy)ethyl]cyclopropyl}methyl)-1,2,3,4-tetrahydro-2,4-pyrimidinedione",105.07051,36.021,23771363,442.45313,1309755739,8504907,"C22 H26 N2 O5",398.18362,0,64,84.4,88,510,659,0,0,536966.3196,0,0,1819344.369,88531.44099,5133722.749,30939567.98,22719074.83,3826666.881,3445625.078,368566203.3,0,1733402.202,0,142987936.6,2151856.678,835156.9298,11831924.75,78024588.49,1807545.345,1512135.618,39799751.18,38200541.56,4026025.422,502474.07,0,4513087.889,6827965.553,867883.7919,462561.3443,3636145.979,0,389072.9753,2639716.322,5051665.724,0,357867.1962,22845464.86,15631326.16,5000004.419,2673652.117,6641514.614,23616544.12,0,4898719.526,4991866.621,25935629.97,0,589243.7683,6065353.151,1979821.86,493894.0012,479733.0647,689745.1725,23259770.99,1388337.898,10066873.13,3060711.348,23304138.15,3810416.077,49934365.69,3461875.881,9169994.943,246388.974,2821495.847,0,53490265.02,9276521.418,7188992.332,502693.0298,22538921.89,5371337.862,3081949.982,3661839.425,9371256.166,164887.4247,1241141.465,1264503.468,3463899.444,1690708.041,2397727.174,5901160.69,9743271.887,724264.4048,2900176.782,0,3673628.805,587882.9596,5453978.423,2092900.343,98602.56366,5449542.868,3907920.254,10267344.17,13836343.55,11927912.63,3701109.161,8186968.059,8361054.372,3857654.146,2105694.199,5447639.649,2086159.779,1963476.218,6980031.655,876231.0925,4289478.499,837267.9863,1655567.231,4304656.664,3636145.979,5003058.448,6237707.824,1541839.369,18404712.69,1607919.405,31759715.19,26375118.71,5858251.293,3276406.757,4171498.263,1414600.431,18449000.79,3877021.688,3800513.754,3275420.504,16285154.39,2617303.008,8497738.336,11412729.91,2794835.265,6798330.61,15289704.95,297815.1765,1417539.199,3032155.797,1201209.869,3471778.204,20475278.18,1611951.048,2527927.135,12477730.2,3125663.272,2729535.967,4015310.393,4623555.459,9831039.509,3850479.479,2181479.008,2900697.562,190007.0289,0,0,5151081.023,240763,514717.5,1208700,1170220.271,201.0909214,514717.5,201.0909214,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(+-)-3-Benzoyl-1-({(1RS,2RS)-cis-2-[2-(tetrahydro-2H-pyranyloxy)ethyl]cyclopropyl}methyl)-1,2,3,4-tetrahydro-2,4-pyrimidinedione",0,"C22 H26 N2 O5",64,84.4,88,510,659,100,0,true,false,"w11n17main2",261237,3301,"UnspecifiedColumnType",0,0,"(+-)-3-Benzoyl-1-({(1RS,2RS)-cis-2-[2-(tetrahydro-2H-pyranyloxy)ethyl]cyclopropyl}methyl)-1,2,3,4-tetrahydro-2,4-pyrimidinedione",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[5472411.053477482,3338,false,0,"2-Methoxy-4,5-dimethylbenzoic Acid",180.07851,14.798,3553024,137.05977,836390834,5431109,"C10 H12 O3",180.0781,180.07796,71.7,53.6,52.7,510,685,1563,3,142294.1309,26009.56425,18965.16743,1082951.731,2577777.405,5021759.602,7057066.951,5121863.412,9136064.29,4987544.468,1647797.32,6668473.174,4373102.693,3726155.292,1749510.88,956574.9783,824561.8317,9494236.049,3219394.491,5183992.981,5161483.681,897159.3131,1404647.904,6107831.075,3784494.012,0,2052259.609,3981767.522,11788525.97,1762109.262,2818913.831,16143822.17,8382829.611,5396619.373,5781010.148,2199400.557,991751.3107,2186836.448,4697456.995,7980137.504,2333774.664,993660.578,3756232.182,3174599.651,494594.4365,3755324.652,5685933.515,16693449.23,1981304.584,303617.4742,17734666.65,10094406.31,27021524.01,865942.0503,7531977.234,5793056.1,6438928.21,2092901.697,2163577.569,1314286.876,2733821.273,727032.0787,5241691.162,13302318.2,1417634.693,7335516.84,2807638.678,4703010.627,980890.1319,831089.5121,2017874.494,5116589.153,4192831.401,360609.334,4459425.557,1152065.971,2168892.779,725523.2417,1593828.551,6318867.321,3028433.574,3848645.249,4126934.563,4613777.88,4237951.741,514538.206,3975272.218,10823958.52,1466759.853,3408820.184,737510.8547,3755324.652,1775574.168,1981986.547,4464552.661,938814.4078,760495.9984,4282018.024,7454479.645,3694707.238,1463152.906,3861668.641,5571455.642,2293466.469,26901431.34,1610309.615,8503878.641,12581665.51,2760020.712,23313558.56,986563.797,3802863.839,6835818.281,1107515.309,3436167.275,6460264.151,3570562.247,4300186.382,1837064.015,2902498.308,2782394.29,3208264.733,1783412.936,9631208.765,2224790.701,4636372.904,22664335.61,6611955.542,3037269.645,3231424.807,20351404.63,9468984.614,7872063.179,6715444.961,18228859.7,16193260.51,5057290.605,19194170.04,6203359.699,5463104.621,2305818.231,66245850.36,1980257.197,3586009.569,5275833.117,0,6683399.405,1320953.286,1251571.247,2539524.428,2415236.76,3924639.735,2725137.745,2771005.163,532123,1136960,2127355,1672223.597,113.3696255,1136960,113.3696255,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-Methoxy-4,5-dimethylbenzoic Acid",0,"C10 H12 O3",71.7,53.6,52.7,510,685,100,-0.77,true,true,"w11n17main1",131801,1566,"UnspecifiedColumnType",3,0.2,"2-Methoxy-4,5-dimethylbenzoic Acid",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[8634875.575106025,2795,false,0,"Chromium,tricarbonyl[1-[(1,2,3,4,5,6-Î·)-pentaethylphenyl]ethanone]-",245.227,19.324,10507637,217.19507,1206368142,7833559,"C21 H28 Cr O4",396.13872,0,56.2,89.8,75.7,513,605,1854,0,19426.32425,0,1706.834366,10613714.69,2738492.88,2874317.01,6321795.539,22080448.85,4700290.763,5089234.583,32238504.25,10591641.32,3457698.033,2755410.751,6243153.624,8416440.676,70648.36213,2025014.309,3720215.313,5085377.422,986240.5971,5402264.109,10966571.58,4978878.759,719538.0213,3417062.96,149203.5101,26074662.67,2627432.888,3213958.731,6710195.631,3583423.829,29153759.5,4587158.596,237535.8643,3148955.519,8018359.132,4839584.761,1580184.985,8783025.398,15479906.72,1402730.552,12309751.84,6481924.445,6264970.806,3186200.396,11734604.4,71002615.48,8378600.162,2219427.496,46555105.02,4783234.562,3646484.993,1392149.015,52673595.21,4766688.569,110619.3624,3903570.43,14822691.23,6683787.514,3872986.268,2201724.589,6266836.253,13592517.29,9034221.462,2473652.391,8958584.653,1952374.254,0,1440894.617,4895934.96,6571020.1,10607980.67,3714346.796,3663668.926,737292.7237,5586820.594,1456766.341,5888183.635,71343.62498,5771317.826,18459279.27,6694494.818,0,8775760.475,1950878.939,5778123.978,4839584.761,8317154.374,2410756.489,6675925.745,3594309.084,5528043.619,2453722.334,7219135.638,0,5251101.542,6564393.034,5302822.377,1601811.014,7693426.53,13947309.08,4511556.23,3042344.201,8501070.987,1663687.315,5556606.874,201093.274,1575634.75,6608651.833,1486646.743,3766086.448,961454.8718,3950943.879,3527724.25,14767924.41,232199847.5,8025939.891,10577609.34,5659515.936,9744688.494,2718529.694,3546684.306,16891656.29,3474498.476,1692916.104,44086166.84,2684599.627,2967049.501,6375957.679,1138719.409,2533577.891,7811127.783,2626725.094,3502399.422,18018367.81,394225.6782,1449829.639,4064861.509,2558264.984,1719684.229,6980191.468,6220224.25,2969394.859,9722724.366,4994902.822,3651205.864,7842741.862,2649293.393,6123087.002,9870914.051,11724031.93,12032809.39,4684266.699,802532,1787755.5,2863545.25,2941709.953,185.0185535,1787755.5,185.0185535,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Chromium,tricarbonyl[1-[(1,2,3,4,5,6-Î·)-pentaethylphenyl]ethanone]-","123674-42-0","C21 H28 Cr O4",56.2,89.8,75.7,513,605,50,0,true,false,"w11n17main2",257174,0,"None",0,0,"Chromium,tricarbonyl[1-[(1,2,3,4,5,6-Î·)-pentaethylphenyl]ethanone]-","123674-42-0","Low","123674-42-0","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[5144441.242328523,3471,false,0,"t-Butyl (1' S)-5-(1'-hydroxypropyl)-3-methyl-4-oxoimidazolidine-1-carboxylate",249.25836,24.481,10351265,99.11694,777445499,5048347,"C16 H30 N2 O4",314.22001,0,70,99.2,100,514,579,2241,0,0,17612.90598,3514.066548,3792308.809,2628816.229,54493.87185,9791652.923,17744184.87,5643699.738,7889248.593,3541150.098,4616522.531,2515072.147,1524168.87,31902954.03,2328605.116,13591.49514,3891392.59,4481286.621,3509227.517,1808780.29,8863102.742,3161358.627,4810363.104,2546531.883,588324.3178,1174608.465,24545558.43,4408391.318,0,3051436.8,6978850.877,2350681.537,3525188.808,2176711.55,1386410.331,1358405.73,35021.16431,6075170.15,11868008.39,58399.43359,53768.35945,12258393.95,6321145.87,6390151.958,3779288.471,38263699.06,123473.0898,120282.0304,1776230.955,25770.30501,3396660.025,3953757.18,1958286.805,17558301.76,6278528.524,3653717.59,1317923.909,39003850.29,12577225.27,1177726.395,2064642.725,2526777.225,7013043.129,4827820.178,1571581.314,16765626.23,8510444.584,8940992.141,13184.25751,3185782.817,5663243.173,5681234.493,4908808.607,7427047.943,288845.2721,1677761.893,1601018.298,1850359.147,5914608.601,2852311.584,10907298.92,94388.43059,4962773.742,4528441.503,699288.5996,3074474.739,5268687.337,3335058.472,2312028.731,13163040.5,2661711.169,3722416.458,7555853.294,6087397.435,10505948.52,5646324.432,6894059.305,8059973.724,3525188.808,2664487.3,149041.8331,4440045.256,2630208.742,6993221.261,1863963.073,3358008.999,0,1278251.02,7111989.969,2418023.692,4557499.516,3007065.328,2403515.085,8064309.779,5523381.844,4393380.525,15784777.76,15521677.96,9140025.909,2501038.435,4836205.179,6114690.11,157855.8138,3598396.416,874924.1727,0,3451981.199,2788619.895,10014785.63,8036706.882,107459.8858,4609931.277,1164219.688,5873579.714,4261406.771,937981.3889,1924856.577,8988727.924,2508262.558,38575.56099,7731722.085,4632478.474,8212.544167,2473811.918,2966242.441,4345697.246,3319795.519,879420.388,1259167.481,1594981.531,10856118.73,2006136.011,7726413.771,1032604.75,2022765,3499963.5,2961221.514,116.9097722,2022765,116.9097722,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","t-Butyl (1' S)-5-(1'-hydroxypropyl)-3-methyl-4-oxoimidazolidine-1-carboxylate",0,"C16 H30 N2 O4",70,99.2,100,514,579,100,0,false,false,"w11n17main2",43897,0,"None",0,0,"t-Butyl (1' S)-5-(1'-hydroxypropyl)-3-methyl-4-oxoimidazolidine-1-carboxylate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1278849.3559696688,5387,false,0,"2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-[[(4-methylphenyl)amino]methyl]-6-[(triphenylphosphoranylidene)amino]-",119.05289,8.721,1068943,83.07294,199952207,1298391,"C32 H31 N4 O2 P",534.21791,0,60.5,85.3,72.9,516,735,1222,0,0,5713.332405,8183.896589,1031240.255,1033316.065,0,1627479.455,889150.5825,1649990.125,0,540911.3722,1037298.367,1696029.58,956060.2897,1102994.253,564780.9947,34134.32972,152844.7459,1548860.329,57645.52301,1198178.083,225779.5812,568620.3646,67408.86927,1663348.758,25657.3703,1941327.058,1884684.02,142516.4036,21753.47646,1918108.256,70839.21006,24787.80201,1311282.622,1861559.624,11872529.95,78411.56597,922605.4361,1999584.652,1460659.006,0,70489.30262,971456.1037,1611122.794,4439.33851,111331.5758,1183189.943,965776.2804,2095452.655,1332384.533,726418.8412,1403328.059,210562.1253,879434.5918,1121572.281,1462502.179,4283355.854,606113.8437,563044.012,436360.7928,406724.6696,0,1105748.904,2957472.682,522019.4441,3371603.015,32452.93061,1575199.488,72080.63909,346446.1457,1092457.575,214127.3877,1262899.426,2449601.519,582996.1379,42710.82745,423644.6633,0,763890.0486,1498357.365,300742.4663,3008415.776,1393751.657,3962842.479,1388681.978,0,1618586.305,1078070.65,1207944.448,1339128.458,3054328.172,1263909.558,166754.1776,1006575.291,3169417.696,0,767987.6338,208511.9308,1496903.451,143814.8855,1624888.006,0,811598.7043,10033175.1,2247775.9,19435.52917,85034.93076,4254891.049,732081.4605,418131.2028,731713.7556,116027.8057,2015029.257,922605.4361,308633.3854,581969.4627,1019672.081,0,1557099.975,918244.2169,201263.598,3203888.707,91471.33434,152486.5042,1979932.55,239360.4661,620991.8995,3157869.275,972647.093,32619.63387,926966.6552,2520186.666,31728.34541,2135755.673,3652416.29,702651.443,1435321.024,1937344.959,59224.97513,2096916.064,1416748.706,0,1799587.568,1484680.883,97752.2517,664326.0394,3138721.809,48872.31693,839727.0366,59819.16743,905362.4325,2357408.446,13541486.42,3685195.899,111290,434780,730765,580272.4255,138.727209,434780,138.727209,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-[[(4-methylphenyl)amino]methyl]-6-[(triphenylphosphoranylidene)amino]-","132124-96-0","C32 H31 N4 O2 P",60.5,85.3,72.9,516,735,80,0,true,false,"w11n17main2",397370,0,"None",0,0,"2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-5-[[(4-methylphenyl)amino]methyl]-6-[(triphenylphosphoranylidene)amino]-","132124-96-0","Low","132124-96-0","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3720805.4177023843,4009,false,0,"Methyl 3-formyl-2-pyridinecarboxylate",399.00583,12.637,558759,191.99043,554441935,3600272,"C8 H7 N O3",165.04204,0,39.4,47.5,72.6,518,942,1437,81,92915.10395,904347.4729,0,271107.3691,1079760.777,0,8667767.49,535412.4507,479411.6749,5813711.923,4399119.571,0,730986.0867,451722.2711,683559.0273,944990.4574,18800640.62,7143244.19,10062220.66,98940.2151,269013.1463,96153.16679,2852795.885,144816.29,0,277264.069,2049897.653,316926.6124,609485.739,391564.7011,13946711.81,355978.5742,231368.4775,243941.4603,2198160.498,0,1053816.444,138590.7418,95825185.73,641094.1538,199621.4293,732389.5785,1146594.18,673673.0023,30360.7142,1280546.035,1927326.496,476966.2147,433093.695,181630.3812,2321901.645,717189.6526,295971.8347,196189.027,11774764.46,632705.5649,37707910.28,0,8427050.69,994301.1605,1181609.298,0,10123901.91,116989.5312,10562361.14,322730.14,944427.1022,151853.961,148697.0823,586265.9131,1237600.532,539375.2786,869957.9905,273224.2163,31353168.5,1047875.58,588354.4478,1050014.982,1295473.883,718219.9315,0,137953.9264,3867101.344,311348.7438,341947.8292,659705.3971,312718.7121,5861465.47,440313.4265,13131765,15347707.42,697004.1903,461022.4671,592201.619,1597354.833,234912.022,130362.8009,1256514.238,1654583.849,325770.9438,5699856.132,11188502.57,364214.505,369215.8275,921031.533,302809.9006,564286.17,650697.3867,609485.739,663927.902,227996.4973,537065.0885,985542.0244,389981.1682,658891.3589,475482.504,317274.2422,5274837.441,484600.8709,129515.5281,1216439.166,903800.6888,592887.8605,9760001.839,963218.1327,293002.8444,3005977.395,209375.2683,99342.2085,6441559.553,11417584.13,380571.8422,997128.6553,891486.2985,170553.2849,39400290.07,363488.9442,0,14063329.87,378427.5454,2653312.044,37517035.85,617680.0161,665987.9603,23121125.55,403760.8807,96207.45077,8170015.956,601291.4618,185982.0111,435894.7003,194681.7296,146567.7933,2238993.055,34302,64528,188562.5,393834.1329,254.1996688,64528,254.1996688,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Methyl 3-formyl-2-pyridinecarboxylate",0,"C8 H7 N O3",39.4,47.5,72.6,518,942,50,0,true,false,"w11n17main1",93859,1356,"UnspecifiedColumnType",81,5.6,"Methyl 3-formyl-2-pyridinecarboxylate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[{"$f":"AVERAGE(Y1539:FS1539)","v":18106310.53036318},1724,false,0,"(2Î·,3S*,4S*,5S*,8Î·)-3,4-Epoxy-5-isopropyl-2,8-nonanediol",152.15655,29.974,38817613,99.11687,2697527777,17516414,"C12 H24 O2",200.17708,0,63.6,100,100,521,602,2734,0,120684.6068,3120819.749,599534.9761,6562279.478,96009.71626,43637.05738,143974499.4,158054095.3,22518874.95,6326684.729,0,23995929.97,82170251.7,5316433.143,81233552.17,9506455.643,2802120.265,12217500.99,5401031.011,55898415.3,5177697.351,68990137.32,25830251.3,10993092.98,3477001.866,1090448.893,6263913.264,1164822.907,14553970.91,3122991.198,12325852.64,12733949.34,4011542.293,2623727.577,8034367.561,3174483.394,2667050.834,20348104.63,44531357.3,11091249.18,6509785.24,2947835.836,14277134.15,11084508.25,9440194.168,5558931.77,26684328.54,8215536.103,8202787.479,5853277.665,6270226.652,4962426.52,4251406.125,2749394.375,20631666.14,9228050.874,8815483.064,3240851.536,55974812.54,11229309.49,5035345.502,5200467.977,8253015.016,5187911.757,7167849.141,2219873.648,100587296.4,7954680.424,9470964.084,2340571.533,19401548.85,8114054.698,36579110.28,4834245.628,15137850.98,5340797.931,3367248.3,5754338.776,1362798.266,29295397.01,8428979.87,18450121.45,38995210.86,6146897.668,5075099.888,1218457.788,6452295.1,4998138.983,14732203.32,7138969.147,34248713.94,8034367.561,7218509.937,58210719.39,21529771.79,23403632.84,15997263.43,2005857.999,12233417.21,12197372.39,2354282.507,10241371.48,5395940.165,10439156.44,4438827.944,8339381.816,404288.9551,3928200.792,8304147.489,7495043.111,8986071.171,13668063.95,2481071.071,3529809.173,69443534.04,3793907.861,108082124.4,100381343.5,13485732.61,20075177.59,3508442.329,8967722.77,147217887.6,413762.008,22127983.8,0,0,10652702,29952327.91,89304258.14,6117290.679,18409513.8,29831607.08,5553414.043,7101012.352,2735719.029,3024785.281,16715813.07,129912608.1,2074485.798,3357602.492,755085.4711,10498598.38,11320221.55,6042616.72,4239493.225,26338961.07,12702776.91,1506115.121,1549380.732,1325840.685,6875748.264,3109000.901,11769539.87,6129946.25,12865249.5,24075078.75,28452034.03,159.6955346,12865249.5,159.6955346,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(2Î·,3S*,4S*,5S*,8Î·)-3,4-Epoxy-5-isopropyl-2,8-nonanediol",0,"C12 H24 O2",63.6,100,100,521,602,66,0,false,false,"w11n17main1",190938,0,"None",0,0,"(2Î·,3S*,4S*,5S*,8Î·)-3,4-Epoxy-5-isopropyl-2,8-nonanediol",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[11917458.406854302,2312,false,0,"(2'R,5'R)-1-Diazo-5-(5-isopropyl-3,6-dimethoxy-2-propyl-2,5-dihydropyrazin-2-yl)pentan-2-one",183.21127,30.332,1673935,197.22636,1692412246,10989690,"C17 H28 N4 O3",336.21559,0,61.8,78.2,76.1,525,720,2770,0,139232.5483,45625.62874,15492.37092,6182551.077,1444996.41,3360366.099,13209089.14,43425817.04,7924267.232,5515812.258,35574755.06,6064024.642,4305066.091,2420278.082,23315669.25,2645892.905,374911.0928,7185443.337,5770028.763,10688894.42,2744748.437,22925193.83,8073626.949,5413771.226,1345307.309,1082954.214,3387364.091,30366823.83,5642920.51,5244556.102,917257.3845,3078394.886,3386576.056,5202811.694,10793412.47,1279603.028,3237419.27,30288788.01,48336666.31,11109807.94,7887001.529,4589135.242,17164342.47,16086430.6,16117622.89,4639047.539,16643146.6,7268923.324,3769781.822,7159805.233,4213756.453,3534342.302,3068982.217,6538062.771,21284468.47,4197043.954,6679951.406,5073835.588,48618741.75,3863496.32,2027316.277,712248.5442,29177991.51,4393300.087,7750489.105,2155118.207,53118051.28,6212005.433,10284874.88,4917086.078,17949538.84,4240597.013,8696778.508,737822.4152,8858040.487,359247.0714,1675412.54,2176454.569,2750288.296,20352278.77,3735227.862,1849994.377,35088243.57,4598662.934,9268419.405,2240661.956,5577078.304,4759194.975,8246418.902,5821127.906,18434879.76,9916522.803,5642920.51,20332914.3,11237010.59,28693254.79,15843434.39,23751608.53,10165066.65,4934536.912,2017874.057,5511344.683,8571835.464,13337409.85,4690514.456,6467629.664,4777298.641,2021927.926,5294043.383,9658896.959,7000427.006,51080772.3,3060707.952,670475.0889,46593132.74,3601794.512,53686895.56,78199592.54,10844107.41,1887509.246,3110142.09,4168851.922,65110228.44,9782578.736,6848777.032,1441975.627,13080501.44,5238032.882,54361623.83,60530589.83,47313983.83,3613138.234,27250832.55,3704229.808,2147248.707,3355497.824,4460559.688,8153083.868,52769425.31,4399739.485,3315463.052,13910700.22,5020198.038,12170719.68,6047808.139,4696891.916,17155507.29,8147598.992,2642194.467,2120487.817,1780292.779,1620668.398,4558294.235,6188259.579,901299,1703180,3414721,3382473.603,124.0701121,1703180,124.0701121,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(2'R,5'R)-1-Diazo-5-(5-isopropyl-3,6-dimethoxy-2-propyl-2,5-dihydropyrazin-2-yl)pentan-2-one",0,"C17 H28 N4 O3",61.8,78.2,76.1,525,720,100,0,true,false,"w11n17main2",112543,0,"None",0,0,"(2'R,5'R)-1-Diazo-5-(5-isopropyl-3,6-dimethoxy-2-propyl-2,5-dihydropyrazin-2-yl)pentan-2-one",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10586439.044041725,2340,false,0,"3-Methyl-4,7-dihydroisoxazolo[5,4-b]pyridin-4-one",160.05234,12.877,6066857,80.04949,1655528067,10750182,"C7 H6 N2 O2",150.04238,0,29.9,10.8,31.5,527,773,1451,33,2351839.083,2205801.019,2038072.045,8743467.907,39512524.78,5469424.938,9167552.053,12708811.87,18728966.11,1754478.224,4151673.235,11173553.02,8033063.123,6738725.275,3027461.308,5517463.01,992784.3663,5689481.967,9001979.749,11838421.64,7455403.275,12647319.6,5811263.536,12067423.53,16508210.83,4802537.821,5834540.856,16995994.79,9767048.982,2482521.995,12580854.43,4441748.881,7744233.199,13725337.45,14027921.52,4848498.326,2133722.211,2090451.916,18920544.71,11561093.96,1299878.691,4487344.276,13062067.82,2761881.09,2047585.044,10814606.55,6344943.818,11478379.36,5770117.858,13120448.29,3486836.921,19124275.78,13804590.86,9754856.426,11226466.49,19654599.3,15457434.7,5182125.396,5056705.596,5459741.671,4332708.582,3069852.636,10639783.92,12357843.34,5073662.326,5931158.199,4967020.425,16987478.51,2692587.579,3240772.079,9143522.58,14026046.69,66051739.46,14045278.31,3997960.105,3543919.033,1949978.326,3260049.484,4617847.546,13523340.4,811465.2052,10636621.45,138103669.7,8620575.72,14718727.57,1703171.075,3841907.919,7401791.123,276979.3428,9865072.454,3950452.733,14843271.22,1993903.87,10163712.23,9590546.471,3425491.453,8935183.521,98057662.3,14314258.24,2139175.907,10214343.11,4332267.963,7744233.199,1740433.647,18868842.22,1689798.915,12550481.08,23366066.87,5192238.061,11831923.89,5700876.986,2930517.397,15508736.47,7273496.184,7720022.128,4548241.293,9131955.487,4074382.059,13098921.31,5681644.784,7768444.27,21301188.45,2820850.822,5288506.213,11769107.02,5086604.338,23478809.75,21611783.77,5895754.743,2065226.742,4732057.114,15971205.51,4302937.554,10719687.14,11088367.59,19465272.34,8554129.421,9775940.146,2768900.035,11886409.99,6151732.982,14825621.9,8139259.618,4663521.231,6508829.966,6399334.768,16809088.5,4025824.738,3557190.882,2945784.424,3219391.902,24517359.35,9737022.504,12564147.51,1019557,1835117,3088594,2587683.868,148.0347395,1835117,148.0347395,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","3-Methyl-4,7-dihydroisoxazolo[5,4-b]pyridin-4-one",0,"C7 H6 N2 O2",29.9,10.8,31.5,527,773,75,0,true,false,"w11n17main1",61445,1418,"UnspecifiedColumnType",33,2.3,"3-Methyl-4,7-dihydroisoxazolo[5,4-b]pyridin-4-one",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1217872.3743623844,5414,false,0,"(4aS,10aR)-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one",257.24817,33.203,121022,182.20296,194836106,1265170,"C18 H24 O2",272.17708,0,46.2,39.1,13.4,528,631,0,0,43257.04782,324081.463,12859.05703,617981.7804,131196.0443,0,834167.2061,2385599.131,606176.559,116894.2753,7651208.274,387404.25,297758.4787,285140.2369,3466325.057,322834.8219,41537.9545,400995.6527,805321.4043,521371.955,448668.2161,2213054.015,754930.5604,390504.4038,355971.565,30484.16115,181500.6588,775460.8611,154499.261,14578.76908,209682.251,428822.6743,199288.0949,4775153.259,583598.7243,253542.3849,146122.7512,2625689.848,459637.3046,106643.8961,395750.0282,130309.3574,1571589.85,7444160.589,607642.9495,38826.94408,717549.6147,696973.1125,306362.6155,166553.8901,199366.6421,300249.085,275871.535,0,902180.6879,9551196.97,5641245.008,402322.9925,389177.064,139787.2851,408176.1773,94254.34663,1269421.326,263543.3985,1987056.702,22993.1232,1090000.231,792210.6472,165273.6017,74847.86886,4884343.369,547969.5882,3219126.593,4399556.652,584943.1828,133202.1908,73549.36418,0,395750.0282,438063.8572,222088.1162,121546.0334,1183273.024,202619.9849,777680.7734,28340.03693,252452.2208,337509.4137,2535001.007,166959.3125,4162907.609,838476.9664,327630.1096,12814294.88,457618.5136,1167676.887,574776.492,617881.407,743948.3731,2554524.761,235913.5797,260625.7458,345985.7763,301502.6412,657516.0503,73444.29807,465575.726,9936710.382,35453.63032,59989.65618,370327.1208,109506.6938,710027.4719,67644.031,8697434.895,6459599.871,11487326.93,1185756.766,863063.3187,3701704.116,0,473892.4275,707519.2064,36675.91589,413084.4758,123308.9006,486777.6376,409964.719,909904.044,320348.5094,816290.8594,253376.1366,700238.636,249147.0571,1051224.932,29566.01055,449384.9286,427181.4076,0,294752.1676,129838.5448,1899522.312,268780.3626,239729.7605,100381.7599,381330.5395,10516587.63,0,139938.5016,111335.0418,99808.3254,213177.6944,450664.9163,381535.3375,57574,120108,251662,379408.3448,190.808741,120108,190.808741,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(4aS,10aR)-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one",0,"C18 H24 O2",46.2,39.1,13.4,528,631,100,0,true,false,"w11n17main1",441196,2117,"UnspecifiedColumnType",0,0,"(4aS,10aR)-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3662063.679366886,4010,false,0,"Tert-butyl 2-methyl-3-oxo-3-phenylpropanoate",105.07055,14.995,3643283,106.07777,553973600,3597231,"C14 H18 O3",234.12505,0,67.1,91.1,97.4,533,644,1575,69,587579.9444,1081411.442,750518.6571,1730642.15,2308884.514,3803932.733,3468453.625,3472248.432,317565.2876,10370278.91,0,0,602418.4981,3789793.383,7250192.364,0,0,2981510.332,7451574.733,0,0,5923868.667,5356702.964,6130168.423,481596.1265,3778266.606,7566365.273,8863320.884,934262.267,2864064.691,5278239.846,7585714.483,0,4078313.377,2432018.466,837808.3391,3307897.016,2680399.061,8490830.78,3727307.892,5071606.963,1871100.723,1637445.643,4735018.056,1236960,3224981.978,1831594.359,439564.8221,3484973.3,1799866.017,18935577.18,4424718.58,3639459.869,2964990.657,0,8380120.808,2244007.452,5170199.788,6227747.781,1881698.686,0,1562051.044,6605564.522,6166737.635,6223724.619,4823915.551,6569165.908,2403875.265,1990309.859,2023680.105,3998862.308,0,2966360.178,1810785.832,3320436.483,9889007.005,12618275.17,1049586.119,6786987.161,3978389.415,2237123.819,4471287.249,4869198.745,2219977.552,2105730.049,3750178.569,5162761.757,5230298.696,3348201.487,3215312.382,8621988.325,5932952.109,4749861.981,1241345.28,9499431.649,3925275.931,2256044.923,5173530.727,2803446.762,1993310.953,3368975.455,1878312.289,868621.5497,3012455.838,2333944.389,810774.0051,8571616.288,3964374.731,2723036.439,2448678.69,1216075.993,3351562.496,3104569.132,3224981.978,4002897.718,4578707.162,0,2388765.452,2958498.316,3580457.743,6065517.317,4032004.556,3304246.493,1834113.381,4974309.892,1877695.944,3668383.326,3045204.345,2776187.99,3887682.856,4203521.361,1588415.693,6626714.483,5059341.977,3131716.14,2626310.023,3145717.464,2518910.429,2921221.881,3870483.147,2760325.552,4853592.913,3825964.729,9241259.816,2718801.869,3428948.211,2202466.856,5602126.943,1824708.927,1711556.476,4253630.184,0,5919765.349,422217.4882,1876221,2786800,4103226.5,3182887.381,64.08274914,2786800,64.08274914,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Tert-butyl 2-methyl-3-oxo-3-phenylpropanoate",0,"C14 H18 O3",67.1,91.1,97.4,533,644,100,0,false,false,"w11n17main1",305223,1644,"UnspecifiedColumnType",69,4.4,"Tert-butyl 2-methyl-3-oxo-3-phenylpropanoate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1428667.5177157614,5211,false,0,"Tricyclo[3.3.1.13,7]decanone, 4-methyl-, [1S-(1Î±,3Î²,4Î±,5Î±,7Î²)]-",164.0473,17.231,1297988,111.06796,233344843,1515226,"C11 H16 O",164.11957,0,39.2,21.4,41.7,533,786,1714,0,2460.542872,0,0,1990235.246,1359477.649,701256.1016,2705100.978,1205225.983,3994910.692,1656404.698,509921.7251,1627986.108,2730528.137,981747.5139,191930.5947,646117.9718,38568.08614,94088.7606,1691674.628,2786476.159,807927.4806,21725.78099,699557.0517,2694548.258,3442343.85,547759.1854,903725.63,3874791.661,1093486.748,78915.02589,1611133.674,442198.1983,1915730.767,101828.4612,2203604.442,345167.0712,152472.2814,49615.41966,1940622.542,4137073.015,1433172.753,253090.2004,1316655.258,1178944.867,147268.631,23316.94945,1150513.074,3249380.898,1036460.423,1377919.456,217465.0247,3692092.954,3808141.527,1175277.799,936584.3769,4384041.348,2813532.863,500986.7023,590163.3576,569529.5639,570117.2132,17907.65713,2317229.97,2193347.232,760073.9902,661268.9267,365260.5701,3898736.886,286247.8141,152903.5742,1359062.519,2483719.023,2266462.657,3339534.34,1642293.508,289463.0667,270091.4759,1637877.257,818632.3183,2395937.59,458263.5071,1899513.227,127529.3588,1588877.735,1518534.12,122244.6676,131191.6161,2121847.252,31994.2607,0,6070433.831,2380009.463,247054.2618,1093486.748,131036.778,176929.4398,0,2304391.255,1686708.476,308020.0745,1719719.283,664800.6814,1822996.285,330444.6684,4369086.424,225504.8397,77856.62809,6502953.824,722925.5519,5546707.475,603424.2112,35363.67206,3999878.378,2294784.562,144214.6541,920963.2752,852037.8433,78129.48236,2047854.341,582208.6662,1073301.252,2644219.649,151364.4284,70283.04049,1458558.422,599839.7149,347422.7613,3288003.011,1321149.674,100789.0419,1380536.119,0,31345.57512,1846977.39,2913289.637,1209383.652,1591090.496,1749881.58,369037.3195,2385394.247,829079.074,3109968.719,2099765.007,423529.2282,107599.414,1318197.768,2599784.762,447613.3836,1113672.245,210706.2153,260933.2681,7828989.454,1949052.588,3401533.031,89238,295505.5,601668.5,410732.3716,98.86817575,295505.5,98.86817575,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Tricyclo[3.3.1.13,7]decanone, 4-methyl-, [1S-(1Î±,3Î²,4Î±,5Î±,7Î²)]-","88494-22-8","C11 H16 O",39.2,21.4,41.7,533,786,100,0,true,false,"w11n17main1",92560,0,"None",0,0,"Tricyclo[3.3.1.13,7]decanone, 4-methyl-, [1S-(1Î±,3Î²,4Î±,5Î±,7Î²)]-","88494-22-8","Low","88494-22-8","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4644256.008520598,3571,false,0,"(1aÎ±,2Î²,4aÎ²,7Î²,8aR*)-(-)-Decahydro-2-hydroxy-Î±,Î±,4a-trimethylcyclopropa[d]naphthalene-7-methanol",490.05661,15.963,2815893,148.12463,726067244,4714722,"C17 H28 O3",280.2033,0,55.4,78.6,100,537,845,1634,0,0,62194.7678,11087.6885,3237292.481,4160220.926,97090.11086,16359626.59,11372583.57,3881865.297,249446.1345,9108675.008,6207937.765,5474367.388,482361.6828,0,9703913.716,86936.36084,145156.4644,2203797.075,0,2011124.691,202981.3095,14376240.25,6417834.633,4464236.148,865976.0972,4444924.113,17365744.63,2333142.424,130305.1116,3000300.236,7913618.291,10478797.44,53259.69073,543807.2885,3559578.889,6846421.14,1621117.138,4494698.547,5392831.731,1434498.026,88014.46748,10402338.49,7477020.653,1746696.762,11783161.63,12172161.58,3430839.814,11334897.27,0,7475916.112,9373956.925,1933392.194,3812553.531,4243761.319,10829264.96,3150069.498,2807550.013,395795.8614,112019.6454,1422880.637,116183.0309,1014213.539,9287010.191,1683029.907,7582810.769,1936675.891,3688317.964,27221738.99,151338.5302,4423185.785,7512873.727,5826645.035,6493631.351,5501102.157,7255573.786,358154.4133,2000524.225,5114953.596,3379699.319,1002272.045,10915620.68,0,320159.8008,4146556.115,8750074.462,2085853.777,4034889.023,653772.8215,908906.3404,5414593.659,5211920.542,521498.3296,2960314.865,5975310.271,4525716.873,31478096.37,2472721.512,4501746.169,2556491.064,3578653.122,112244.9373,926874.9763,131936.3724,2707850.522,3559578.889,5260937.134,202531.7865,265969.4435,7180239.332,3676172.866,93886.30118,2733669.255,33756583.44,428737.847,6905536.158,1244115.831,386510.9129,4103856.25,15692637.11,893534.0188,5825085.965,6718919.881,572381.1055,4683890.819,1884295.559,2038693.654,4496235.875,1435727.95,111954.1621,4047053.843,17550393.02,86604.34777,4307747.071,9303116.084,29806.81733,3017181.369,579403.0797,455431.1015,5012012.067,10468558.98,200972.3134,4714780.191,46886.30652,964053.657,5902561.746,4169372.731,1806073.693,3320535.528,3600278.3,10139954.98,3518879.478,6865669.388,5866913.037,397458,1443237,2697011,1971451.211,127.1493956,1443237,127.1493956,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(1aÎ±,2Î²,4aÎ²,7Î²,8aR*)-(-)-Decahydro-2-hydroxy-Î±,Î±,4a-trimethylcyclopropa[d]naphthalene-7-methanol","71911-58-5","C17 H28 O3",55.4,78.6,100,537,845,66,0,false,false,"w11n17main1",467999,0,"None",0,0,"(1aÎ±,2Î²,4aÎ²,7Î²,8aR*)-(-)-Decahydro-2-hydroxy-Î±,Î±,4a-trimethylcyclopropa[d]naphthalene-7-methanol","71911-58-5","Low","71911-58-5","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[5926103.216772186,3184,false,0,"4,6-Diethyl-2-methoxypyrimidine",166.08671,9.485,4020247,78.03388,923537275,5996995,"C9 H14 N2 O",166.11006,0,62.3,78.8,43.2,540,616,1264,18,1217722.566,500005.171,675799.3769,3664895.75,3531665.381,628914.5873,9285847.687,9704515.901,6853198.112,1258412.629,806586.3947,9530211.319,5032008.933,518587.2827,1198796.427,3527754.257,791095.1813,601526.834,815743.6648,9877663.463,5001906.632,1118235.195,914658.9935,20257706.04,11095634.78,542627.589,335580.3271,1335088.029,4866640.772,228201.1916,1627861.031,4852695.546,4334010.741,698062.7853,5621746.395,2193041.29,772960.2862,436394.7573,6456677.883,9544916.546,3306979.612,6426809.264,6079363.816,2393083.443,1231822.588,1053472.062,8488983.475,24570309.98,3755304.409,1233236.067,1303018.602,17488219.31,21288740.98,1056200.877,6723460.971,20664399.63,49351455.57,346826.2967,1309283.038,4340915.336,1923483.73,608799.4028,1030205.85,7283934.723,1202766.442,1464877.228,994149.5988,19939991.46,2862683.156,449058.929,1040706.592,14436009.16,9279010.556,80843187.21,883101.5124,3154348.572,2082618.503,2294485.474,1073908.453,19852510.07,292745.5624,1680076.825,8352960.778,18657649.12,9695694.329,591044.9596,32494061.45,14828043.3,2327954.637,1166340.134,3739241.163,11044990.87,2862083.228,782262.522,3046897.873,4106629.431,842735.2936,1860124.08,14843083.2,1869067.286,1235526.441,2684896.407,8041103.899,1130671.708,41978028,419641.643,2127557.24,39350736.98,1173947.079,2205116.057,1102617.186,4030866.215,2393083.443,1006315.915,889464.2997,2966356.991,535890.3542,3287363.168,925707.2896,155244.8657,3594177.678,7559060.037,507501.4881,694915.6051,4848330.145,324127.8999,9243196.724,13443974.01,1321258.455,576107.4533,13712425.64,715300.9032,1077575.823,4069177.817,2239100.551,2835925.4,3751204.805,7162650.952,2547066.335,6052728.758,1165648.281,2799975.764,7856061.045,181547.0478,510999.5898,974094.0058,1764510,592789.8558,546600.5231,325566.9924,2800136.278,23075781.05,4522325.89,3752129.145,167416,404537,1306356,1031218.861,155.7692484,404537,155.7692484,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","4,6-Diethyl-2-methoxypyrimidine",0,"C9 H14 N2 O",62.3,78.8,43.2,540,616,100,0,true,false,"w11n17main1",96525,1282,"UnspecifiedColumnType",18,1.4,"4,6-Diethyl-2-methoxypyrimidine",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1505961.0319322923,5005,false,0,"Hexanoic acid, 2-hydroxy-, methyl ester",93.07047,26.957,1495970,312.28137,275628235,1789794,"C7 H14 O3",146.09375,0,68.8,94.7,100,545,750,2452,0,0,0,0,0,0,1010789.338,12115342.94,189109.0994,18443462.04,431877.6054,0,2297413.64,115748.2251,0,2874717.825,3349982.392,328920.0757,0,694052.021,0,0,0,0,0,2226458.08,0,1491309.071,2247195.957,1638929.459,396190.8256,152428.6623,842758.352,0,179819.0959,48694.73287,165255.868,0,0,601974.2022,1424467.857,4609.698486,151093.0188,7205438.937,0,0,74921.11397,266549.3378,14361540.23,337671.371,572113.5528,93998.52663,1932772.408,0,51066.78076,12398033.36,1839438.633,0,47511.25852,1758277.912,247532.8246,349566.3048,61093.88022,0,0,210858.7979,0,0,31337.05616,0,574724.0963,0,366775.0324,1008870.688,3477741.664,2291174.31,152428.6623,746814.9326,25255.87,594734.3233,1809535.475,34267.567,70863.57616,2293675.182,2162908.824,1669248.432,28543.53325,598625.4912,0,34657.13083,55054.30968,2634745.977,183522.242,61167.90725,0,0,31628.11241,165682.7732,2117362.426,0,2116046.211,22189.81108,1157187.216,1216980.794,0,0,17202.11683,0,0,0,3232079.522,51294.69942,2544659.023,29122.76996,479986.0626,0,335336.3374,0,219424.3865,1079516.755,647865.788,4555227.022,1850187.945,212526.9831,0,327474.4834,0,0,414927.2341,2030528.363,0,10459823.31,39482531.52,0,0,10662954.8,5973005.087,11209.76276,0,0,112484.9889,97018.20414,5913070.802,8886586.86,236891.2206,0,0,141007.4318,0,31407.88959,163849.8927,0,3704842.403,431235.9369,100101.2842,79915,326172.5,1762531,1475075.375,171.6267588,326172.5,171.6267588,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Hexanoic acid, 2-hydroxy-, methyl ester","68756-64-9","C7 H14 O3",68.8,94.7,100,545,750,100,0,false,false,"w11n17main1",55594,0,"None",0,0,"Hexanoic acid, 2-hydroxy-, methyl ester","68756-64-9","Low","68756-64-9","CAS-RN","DTXSID20988457","Methyl 2-hydroxyhexanoate","IJQZYNRJICMGLS-UHFFFAOYNA-N","Methyl 2-hydroxyhexanoate","-","-","-",7,"CCCCC(O)C(=O)OC","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",1.18445e-11,3.869,4.64215,181.827,2.40721e-07,0.0744845,4.94517,17.7735,1.43031,-22.5211,0.389911,0.294255,"-","-","-","-","-","-",0]
[2536658.4422754976,4543,false,0,"(E)-2-(Phenylseleno)-1-(p-toluenesulfonyl)-1-pentene",155.08595,15.036,924320,139.0542,392716221,2550105,"C18 H20 O2 S Se",380.03437,0,43.8,52,100,548,621,1577,0,1104560.22,225410.8055,77144.46951,527146.0522,1282251.278,875979.5647,2344155.808,2229953.952,0,2044252.362,1064963.211,7293486.018,1399399.023,3325273.975,1205784.226,674595.3176,1221340.821,2348937.348,10373746.95,7769665.094,646708.8951,4773123.141,3554863.119,899141.9489,2474157.537,754282.5004,1114654.078,1118978.683,1910837.803,1310817.719,2650685.946,11547222.33,795469.7235,4186440.855,1340825.151,6013017.905,477967.9631,365822.1514,1493453.144,2815936.77,328179.3214,436877.3492,1211854.611,1483329.742,251636.8056,1793067.562,702962.5259,981849.6232,1412749.898,1315118.288,4953886.206,3427465.801,883298.3048,314526.6396,4524755.776,739251.9728,749114.2315,3798642.734,1727235.812,269167.3764,2647515.89,1800252.501,3325496.969,6403997.978,1237024.538,2878863.235,1366532.014,321108.8319,706203.5641,566148.2907,2655810.233,426070.9579,2503827.296,304426.6161,845828.093,3177638.677,3514464.948,352448.1474,10182706.12,2410865.358,1596206.383,3294371.206,27136664.42,200937.1827,2136251.017,998244.2577,319371.0284,2096297.823,565591.1775,798311.7896,1083581.847,406846.2676,2468124.523,244195.4099,7327978.896,1781860.421,3470776.129,4967554.04,515365.0152,2647225.908,611777.4301,5331375.556,689083.0436,479407.7143,593621.7585,1018924.155,1802880.965,5152492.338,1921244.002,1340825.151,445082.8354,901891.1688,977087.8384,3449795.774,1853480.298,7438280.122,1423456.795,682657.6933,459393.4649,14501135.92,12993447.37,632287.8128,980223.2212,1819942.111,372407.3225,2265945.341,1057611.756,467949.7792,598624.4261,6014530.178,1454182.575,569333.8596,7596971.966,891740.7926,11254955.14,2014792.169,412324.575,4808920.445,3990280.869,926915.7338,3664475.228,1016115.769,751413.5727,3893681.851,5081424.705,486500.6749,788197.785,7640474.198,3625559.572,711939.0989,0,0,1258193.507,2706873.412,308897.25,587883.5,1475077,1140985.764,133.8762038,587883.5,133.8762038,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(E)-2-(Phenylseleno)-1-(p-toluenesulfonyl)-1-pentene",0,"C18 H20 O2 S Se",43.8,52,100,548,621,60,0,true,false,"w11n17main2",224753,0,"None",0,0,"(E)-2-(Phenylseleno)-1-(p-toluenesulfonyl)-1-pentene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[19273771.249470867,1633,false,0,"Pentan-2-yl 2-methylbutanoate",102.04701,5.848,245853618,134.10896,2937291531,19073322,"C10 H20 O2",172.14578,0,70.7,99.3,100,551,718,1038,16,0,2961240.863,4582579.302,19038399.81,12022836.33,3771750.596,8670979.106,64412165.96,5868886.389,48172544.55,0,28210003.34,22337015.2,13982120.25,0,12890882.7,11539641.84,4735354.462,61357524.29,0,8826021.135,8129246.421,32404743.13,836651.2071,3919875.982,50749813.06,41375729.98,25558635,4372934.803,14869121.81,48312425.32,12348918.6,2946384.541,9752921.905,22805061.78,0,3961691.758,11781239.08,301381300.8,7520020.278,7241473.767,13050123.34,37236502.49,7765943.065,21571109.54,6373868.796,18533155.52,2636349.156,3513304.482,14290700.83,36510177.24,9035023.014,4573719.732,5787475.182,11670733.25,8835925.184,5218664.011,22740193.23,30615939.6,9901462.155,27323346.67,23328409.75,32214076.12,15378223.36,12416768.06,9649277.547,79279478.18,8488811.78,11891744.92,3387766.158,30702691.76,8322804.592,7526811.122,11781239.08,21132097.76,24125226.85,0,3161122.7,61776220.91,16935343.86,0,24726999.43,27074355.15,25645959.42,21817472.05,4724225.086,26397647.09,56388181.62,0,7452937.122,40976781.68,21800830.73,26773303.07,11516463.54,0,119801525.3,0,100945223.9,17465053.2,0,32527859.5,42576286.56,0,3887291.809,9373857.037,0,17895191.26,4775482.904,11610529.33,29319981.11,8498432.759,35346792.96,0,10953269.17,24777881.3,12434050.52,13252968.63,10387054.48,10604126.5,45647817.85,0,0,8231454,34301710.42,15847166.96,14019820.12,54003574.8,3174713.705,0,15486995.54,5407215.414,22004416.11,15757783.48,30486450.07,14533580.59,14602306.07,5258331.861,9655927.386,27327050.96,3709316.598,0,0,13487633.19,11928955.25,0,14555523.71,19134654.75,38899880.33,8203828.802,9293636.922,5773426.155,6451073.939,5007530.375,11633522.92,6974442.75,12108619.5,23890657.5,19376156.91,134.9442193,12108619.5,134.9442193,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Pentan-2-yl 2-methylbutanoate",0,"C10 H20 O2",70.7,99.3,100,551,718,100,0,true,false,"w11n17main1",113082,1054,"UnspecifiedColumnType",16,1.5,"Pentan-2-yl 2-methylbutanoate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1255357.259346292,5405,false,0,"2-Phenyl-4-hydroxymethyl-5-methylpyrimidine",199.14865,20.002,1735056,104.0621,195501537,1269490,"C12 H12 N2 O",200.09441,0,46.9,52,43.1,553,905,1900,76,23131.32062,0,18039.86604,257988.5446,269254.2083,704273.6212,1604538.862,1113745.066,1790698.126,923468.2148,5291471.371,321245.673,1729428.241,778921.0487,878442.4892,887316.9979,376909.2687,1605069.717,1166872.099,345341.8682,449204.7783,2283296.828,369098.7778,1682147.536,1187750.852,188451.1722,251350.5506,1882522.171,453738.3348,101469.185,933832.9889,139771.0717,44007.20199,882879.7436,2040891.961,56064.63836,2312456.833,662436.9375,2058081.13,1349088.413,889907.1462,168936.318,983777.38,176856.638,11850641.58,618317.8666,754285.5653,2024556.39,163016.5897,1452818.411,1260779.697,2182872.163,2221328.892,954110.3014,12586970.66,2254102.721,807435.8788,180055.8718,505759.3345,340764.4453,267374.2438,857505.6973,1532037.531,854531.1826,1398036.001,525080.7264,1206936.979,2797715.874,908253.7899,92925.90914,815676.4383,688679.0303,355791.8661,2572631.619,532005.055,98123.37779,0,262994.5569,183340.4752,1825660.984,281814.0315,1153081.268,1644455.13,1393788.115,3048641.66,66131.31934,2166806.161,575735.4331,882879.7436,607719.104,3638199.709,1251521.274,816784.0711,1151439.413,916457.0413,367926.4956,774181.8131,1352517.374,1417354.92,251126.2308,2568869.821,1505782.337,964081.3208,96473.13527,6229388.692,129050.2225,1271940.666,4381263.861,314875.4974,1136241.246,359251.7138,481071.903,1724027.433,435785.6419,892832.5063,313058.3526,2744853.168,517835.9784,505778.5431,630732.9537,511299.8008,1463399.887,222204.3147,405378.6458,1091328.854,352074.3051,2035335.304,2033738.092,1023598.152,1034392.784,1107354.766,1402995.784,967272.4367,312277.2852,2487007.393,5076379.044,349630.5464,995089.1925,131490.5883,1218778.471,156498.7755,1323093.059,482594.4054,803023.7891,584158.8882,284741.1524,1561650.68,352813.279,242603.269,123443.7235,4118135.652,2613000.108,872926.9808,1331359.745,160763,387587.5,667019,569193.8333,132.159715,387587.5,132.159715,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-Phenyl-4-hydroxymethyl-5-methylpyrimidine",0,"C12 H12 N2 O",46.9,52,43.1,553,905,75,0,true,false,"w11n17main1",190772,1824,"UnspecifiedColumnType",76,4,"2-Phenyl-4-hydroxymethyl-5-methylpyrimidine",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1297062.5036152985,5391,false,0,"1-Methyl-2-[3-(trifluoromethyl)-3H-diazirin-3-yl]-1H-benzo[d]imidazole",184.12065,16.527,3331641,63.02296,198978427,1292068,"C10 H7 F3 N4",240.06173,0,45.1,34.8,0,558,616,1669,0,16993.66117,25065.4672,3999.704753,2087758.267,1450005.14,958649.9085,201689.02,1942356.787,161924.7546,1170234.217,9300174.255,1505022.382,264351.5301,1378862.668,947301.7319,1738061.437,105636.6927,960145.0529,1186891.565,2059703.705,94099.66677,741390.729,614507.441,317967.5302,362012.207,510558.9154,259448.7505,1097512.043,683385.2502,999750.9478,261906.645,1341510.363,3006871.816,3834627.846,83496.20069,723671.3215,952975.8202,948605.6645,1016863.919,879218.7188,9362187.362,1406345.778,396751.563,477899.6935,875257.8821,3759500.628,741654.3678,1808873.92,469841.3427,960457.1797,1491377.503,836252.9217,4015736.815,768584.9663,1093485.269,758572.3815,463036.753,1453179.98,4133913.682,177840.8215,1571454.407,41246.47143,1076982.909,1726988.472,855803.4098,1459902.587,1086768.401,348863.1161,488376.0612,1721795.668,945494.4608,549207.4536,2954765.625,2207384.936,16095.99669,55784.89223,2093034.292,1691609.669,1455115.082,1122432.458,1677989.074,1062843.37,2546746.883,371280.2048,100680.1964,653519.4007,952975.8202,2883454.866,5366733.235,2206482.154,619197.3481,506343.1832,930966.4165,846327.8323,179307.4815,465170.4974,895501.3831,1539841.588,3023416.075,559430.6046,3492796.838,3248673.013,425014.8017,6609935.52,5301959.493,652932.0482,718813.4213,405355.7144,1307492.912,1897611.779,829116.0471,1978111.703,56405.78185,833003.6318,1288437.532,920767.2953,565212.0044,722257.2676,1634697.092,1005563.137,1177120.593,772313.5073,983724.6427,870398.0533,157509.6475,334587.7913,1755180.319,141820.7713,402695.0509,1086336.022,1260672.47,507572.04,1478680.787,63513.14598,94116.43701,970961.022,68065.57475,1129876.986,1403607.032,92099.47339,415773.8679,1612552.177,317433.3621,982860.2298,1335741.837,2343195.421,1249525.052,1463787.581,725334.6363,48069.25992,1535853.442,667320.9706,934990.6185,1121775.491,593106,1171532,2057751,1619574.305,116.5966133,1171532,116.5966133,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-Methyl-2-[3-(trifluoromethyl)-3H-diazirin-3-yl]-1H-benzo[d]imidazole",0,"C10 H7 F3 N4",45.1,34.8,0,558,616,100,0,true,false,"w11n17main1",325000,0,"None",0,0,"1-Methyl-2-[3-(trifluoromethyl)-3H-diazirin-3-yl]-1H-benzo[d]imidazole",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2654615.514246953,4416,false,0,"Difuran[3,4-b:3',4'-d]pyridine",77.03915,11.572,641040,135.04407,423273898,2748532,"C9 H9 N O2",163.06278,0,59.4,70.6,24.5,560,609,1378,6,42623.2339,63181.69399,25280.66288,3439858.429,3644277.767,2542031.397,1177259.952,2232190.457,3003948.808,1809201.303,321880.0781,2525159.919,1276813.865,58199.861,2070673.917,3306655.682,2031142.42,1058021.577,1300271.787,2544660.413,784129.0568,752660.0174,2605604.804,2330240.548,709361.4771,1798402.872,1963964.545,3873774.22,6285493.053,99316.33655,2304654.54,1997553.483,1505333.767,123230.8146,1729078.439,2563330.875,1149649.316,1246819.097,4217058.35,2451994.43,627234.1287,97960.14494,3898494.031,5458051.512,1906083.897,2536889.63,2164559.136,1901481.462,728394.5098,256983.2733,16263192.64,4070605.312,1708655.755,6679406.504,5245798.118,4254135.231,599685.7956,2027280.931,4563752.703,850201.376,5572761.506,207802.0267,5634172.129,3390929.491,1967826.034,0,3388811.463,1482095.796,1017610.753,1864683.778,11101689.58,1640964.085,2024844.536,2523405.331,2928415.301,1426295.513,2507128.618,794501.3124,4255502.781,1329383.846,2969914.127,1355528.296,2606908.373,1072342.555,1125923.358,1997553.483,4079914.545,771588.1989,3003124.559,3078020.18,2183410.609,1452348.361,2744788.207,4404062.135,4270778.19,4346659.321,1167715.942,2360928.803,1859588.364,2570188.64,47899111.96,0,1048393.392,2476969.477,1262157.516,977995.7414,2502905.454,955540.6375,1628261.942,0,754070.1223,956447.1806,2031563.063,220962.7709,2504236.22,5516495.615,760749.4115,3950822.689,3346959.547,399062.1353,2285789.508,5045128.552,1819689.76,3251114.334,1389700.506,3611201.479,585254.4074,1141360.202,1413954.293,1716163.919,1489957.884,1951524.801,169975.8643,2262511.539,4782240.173,3292360.985,877433.0499,1253437.562,4956486.551,1356433.524,1876921.981,4637179.133,2953180.467,2015561.512,2051540.847,2241583.926,2686462.266,664411.0431,1979545.453,1906820.819,637607.5402,1116765.404,4784438.386,2297646.215,345010,570228.5,941366,787694.7432,165.7449779,570228.5,165.7449779,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Difuran[3,4-b:3',4'-d]pyridine",0,"C9 H9 N O2",59.4,70.6,24.5,560,609,100,0,true,false,"w11n17main1",89414,1384,"UnspecifiedColumnType",6,0.4,"Difuran[3,4-b:3',4'-d]pyridine",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4626038.385514837,3542,false,0,"Aminohippuric acid, TBDMS derivative",120.09393,29.295,41577452,253.19518,743013628,4824764,"C15 H24 N2 O3 Si",308.15507,0,63.4,80.3,80,563,568,2668,22,0,6465.572692,2361.699882,2241519.731,475893.707,456258.4288,8918028.176,49502937.38,8398622.618,2126365.224,32407410.6,4775566.75,1909199.695,1907305.022,11909919.6,1158425.033,124486.462,3950922.037,1054115.448,10179432.83,2231145.243,11520094.87,8835822.489,3441454.731,872728.7322,520547.9063,1580266.964,14375393.29,2236332.487,1435320.211,5384586.081,3358677.352,1883619.602,2065582.112,4439203.922,738091.2991,75790.44672,7046944.027,14329603.81,5832710.115,368304.6606,0,7064761.978,148512.1513,3139233.417,2075083.451,3121505.052,2450684.682,1508802.07,0,4243053.305,958883.4104,2533256.456,829823.5324,9552593.165,2021980.291,2587961.085,1026287.204,11399867.21,4216603.552,817191.6266,1350701.964,2007193.118,2916561.752,1804303.207,1006387.329,41124614.95,1383651.149,5470808.082,555888.9191,7979183.511,3174942.633,416622.4238,1212017.1,3490537.201,198867.7918,438397.4039,1239693.966,480565.6948,10297181.49,2735915.459,4230277.817,9818772.837,97983.38463,1451818.859,572766.3584,1285240.744,1061423.193,4809305.972,1578520.998,6065196.71,200088.4274,2433854.036,7790175.464,4726683.594,8151447.377,2520492.595,7818370.859,2253290.948,2862739.178,743693.994,3361986.395,1600822.558,4571505.057,77225.33249,2841163.075,1560742.875,545777.9115,2236332.487,1773123.006,2770162.501,2831889.948,396498.0394,966170.1348,20540451.66,672924.8647,29276732.1,27032257.13,2558548.296,2643361.805,1017983.113,1237417.052,22908113.5,2216514.389,2664257.77,294812.5724,2489236.155,2460122.821,5676315.61,22545562.48,1229826.247,6519701.293,4313555.149,1478391.329,1777593.082,1110684.52,687932.4303,2745686.705,29468916.21,654608.0091,746858.5167,2256150.584,2353850.735,3294519.669,1487746.064,1434769.09,5314289.964,1835100.092,367195.197,438770.737,503118.9429,0,474509.9362,2749119.851,1005688.5,2357372,4301122,5088963.77,167.0068349,2357372,167.0068349,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Aminohippuric acid, TBDMS derivative",0,"C15 H24 N2 O3 Si",63.4,80.3,80,563,568,100,0,true,false,"w11n17main2",23429,2646,"SemiStandardNonPolar",22,0.8,"Aminohippuric acid, TBDMS derivative",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[8961584.625086155,2668,false,0,"(5R)-4-Benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2-oxazaphosphinane 2-Oxide",108.09389,23.474,6283603,220.12466,1315198558,8540250,"C19 H24 N O3 P",345.14883,0,66.4,87.6,100,570,642,2160,0,34859.12664,23522.77485,8240.106832,7446023.141,4031887.167,126914.0257,18997938.04,0,0,11979390.36,10401886,13781380.18,8876579.434,3254206.765,18566211.77,0,0,10218993.57,4413766.603,16470954.87,6566399.782,12594288.62,8917765.812,0,5395485.414,3232507.986,6258308.899,41049456.99,6412354.34,2648078.18,8928165.435,0,3655218.874,2775982.974,6972754.908,2558376.889,3946334.923,6232550.321,24554482.21,35008733.75,9326599.205,33640.49301,29776760.62,8620971.8,12088832.93,4429726.327,22158916.43,9127993.547,2733779.108,4013649.923,12521004.5,9038671.329,6314888.363,7196026.871,30154481.05,33521769.82,10882769.86,2807125.735,0,4178209.541,1998508.441,3174386.753,12385972.61,6620435.325,5959048.764,0,17350292.53,4417896.185,0,1611178.357,6509820.318,13902933.86,44674509.92,4754819.085,8851500.904,1564625.792,5055285.978,1508380.969,2517129.888,10563567.18,8287092.514,6412354.34,10298072.55,4801579.088,7446274.719,1978160.738,4696458.788,15586521.22,0,3368921.367,13628063.85,8284184.407,13152184.01,4407929.594,7864549.398,9248647.624,5146149.591,14141390.24,5955079.966,8754655.053,3415777.772,10262618.28,7015692.803,7393462.855,9181970.034,6383026.912,8182871.96,17678724.74,1741490.106,6230782.427,3025545.17,381604.6823,4209755.229,2113792.06,19309431.15,14456202.75,14725680.07,44687265.47,5118604.134,23066448.83,13681270.08,0,5862601.026,6087968.07,7778165.971,1691433.867,63219090.6,9813958.411,5719503.573,0,0,10507170.81,442640.7971,4062292.244,21743955.53,329435.4224,2935118.276,6554989.45,3725248.761,15408849.1,5261161.424,429997.3177,15571474.82,3904701.94,27916884.85,21448513.77,8228698.643,164035.6408,2931062.475,1954758.816,6622518.997,12177675.65,10095877.79,6269719.231,625800.75,1167639.5,1884877,1535873.514,95.1213518,1167639.5,95.1213518,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(5R)-4-Benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2-oxazaphosphinane 2-Oxide",0,"C19 H24 N O3 P",66.4,87.6,100,570,642,100,0,true,false,"w11n17main2",139655,0,"None",0,0,"(5R)-4-Benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2-oxazaphosphinane 2-Oxide",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[708663.664650066,5827,false,0,"1-N-Dimethylaminylamino-1-Î²-naphthyl-2-methoxybuta-2,3-diene",147.08096,15.82,2178669,224.15581,116579107,757007,"C17 H20 N2 O",268.15701,0,61.9,88.7,100,571,633,1625,0,20022.05964,34910.45113,7415.298444,53477.35092,438694.2494,324846.8593,800320.8112,76614.252,539370.972,817981.4259,853251.2347,1357142.041,397066.9933,318660.0346,1584743.33,1052608.628,965193.7279,249924.8102,563440.4545,702986.4231,329776.2183,490229.3067,841151.0491,3837334.162,424855.115,423920.1963,982029.2768,2455649.698,192420.4365,166654.2535,922793.6745,357177.3097,551405.7133,0,298347.9096,566698.4173,576405.0637,167648.4081,984025.1097,337767.0478,2290698.843,119230.3524,610841.3052,713292.2682,1281780.467,187520.8912,548192.7859,585647.7759,554618.6407,191440.1909,4381787.336,86295.5085,714468.5654,304625.7395,4341074.166,793561.8874,728177.0555,406864.2059,799511.0825,324223.088,16498.05524,148126.5108,735662.8243,727093.0068,638908.9607,250286.5396,586888.7,522712.6126,196524.5605,205392.0389,274722.8887,869443.2876,453075.3141,450817.9403,460046.2456,810613.6348,765259.7983,209326.7544,1005769.517,561152.4345,324062.7501,271166.718,511306.4995,812954.0558,430242.3678,745034.0306,527971.3039,815546.135,525104.9173,293909.0674,1577099.008,678329.5145,879958.0452,0,1660599.191,914860.5177,308077.4227,904217.8934,796915.8802,237132.4663,551405.7133,847363.2782,246242.4922,461251.6882,907195.0096,438046.2878,1694663.642,1258154.986,340294.7024,411071.0479,304214.4697,667125.6925,560870.5773,360905.5071,541280.1312,1499101.318,0,418963.5905,1557469.074,702617.8809,0,672906.5651,253556.5957,137391.4534,561531.2954,251259.7874,777563.134,674893.6569,374870.391,627034.7958,1338370.735,211042.6436,580144.9486,812944.4077,282197.703,273369.2504,699266.1967,259287.8837,434038.5031,631429.0899,330203.7561,421373.8592,1012806.593,211573.148,251983.4813,1738742.138,236445.5273,962086.688,333895.8218,258646.9852,2559426.391,1892211.249,3329908.977,778299.0939,131996,222870,361787.5,315436.1973,107.4529999,222870,107.4529999,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-N-Dimethylaminylamino-1-Î²-naphthyl-2-methoxybuta-2,3-diene",0,"C17 H20 N2 O",61.9,88.7,100,571,633,75,0,true,false,"w11n17main1",426619,0,"None",0,0,"1-N-Dimethylaminylamino-1-Î²-naphthyl-2-methoxybuta-2,3-diene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2015268.1651206624,4895,false,0,"17Î±-Methyl-1,3-seco-2-nor-5Î±-androstane-1,3,17Î±-triol 1-acetate",257.24835,33.175,5843126,229.21637,303452393,1970470,"C21 H36 O4",352.26081,0,71.5,100,100,573,678,0,0,45088.32605,303545.8469,6541.215235,1210237.656,1380234.692,76459.13504,1226626.501,2763794.719,2558596.698,661060.3036,10718771.54,3209128.203,2318746.202,146366.1604,5329901.275,289342.7074,286775.8574,1030592.435,1943161.19,817445.321,3125705.577,1837641.799,492108.8625,2175045.452,2136358.437,55212.98727,217848.006,3641305.29,929573.1658,39609.87439,1303430.596,1403853.688,902209.649,669507.7147,3713290.957,3816802.592,343329.2672,1249244.745,2849399.533,1386884.672,1753038.714,379647.6556,6462296.995,9180952.444,1066128.615,376874.0976,4448258.173,2433689.796,1383871.223,1337089.815,207992.8391,1958264.655,1827352.181,1614004.809,1269771.378,4140474.43,4403048.409,469849.8614,2201169.5,802987.4486,746359.2095,810885.2899,1211586.589,640355.3119,1157382.794,1190657.12,5031189.047,958997.1717,553577.1675,44211.6854,4368687.328,1833553.854,2360935.108,2873651.803,3638740.452,200583.4686,597962.7894,273353.1748,863370.8698,7586182.529,465973.7483,2874201.65,5969962.055,1303430.596,350193.3325,10360.07069,559754.3423,650350.5695,1369526.977,2459693.995,7120853.565,1218237.904,388759.7736,2493956.596,1514591.701,778510.4588,1522364.721,3501355.788,3801643.564,1031995.953,2965434.75,1228085.707,812051.1382,553769.3149,3227656.486,106569.4862,906243.1288,9661737.049,150786.6951,1900159.196,186940.1377,2093274.237,3111514.121,629240.7882,1212260.083,2007782.729,13130419.1,2308726.434,1756271.974,4840235.971,689342.2499,5004323.346,1496275.957,215380.9705,8642665.368,704427.4121,9886814.85,1705110.96,1166179.89,1334271.697,326725.3324,1531506.878,63670.93483,715887.9107,1829931.52,1654057.81,699831.9769,1448883.425,316098.5289,1272589.496,3089006.616,1221174.553,1137751.112,919635.3516,598671.7286,1823221.511,3921360.159,330219.6609,923925.1735,265968.9597,478257.8428,1519138.528,893761.5906,1389958.484,312452.5,631070,1218878.5,971839.6358,109.5325699,631070,109.5325699,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","17Î±-Methyl-1,3-seco-2-nor-5Î±-androstane-1,3,17Î±-triol 1-acetate",0,"C21 H36 O4",71.5,100,100,573,678,100,0,false,false,"w11n17main2",158902,2552,"UnspecifiedColumnType",0,0,"17Î±-Methyl-1,3-seco-2-nor-5Î±-androstane-1,3,17Î±-triol 1-acetate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6756520.027776026,3180,false,0,"1,3,4-Thiadiazol-2-amine, 5-[[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl]-",191.11825,16.578,2107701,150.07869,927121443,6020269,"C13 H15 N7 O2 S",333.10024,0,64.7,92.8,96.2,580,600,1672,0,16540.0297,0,0,24317987.69,4302264.446,1935676.814,7352450.134,9741081.515,19677882.63,5231596.98,2483643.308,8597102.626,63423.04151,3208586.59,2234597.668,2588861.241,512575.9055,4297212.541,5768570.556,10218195.29,5590333.345,8578942.339,3212824.332,14147439.74,34647.96193,1928557.136,3013657.313,36716503.67,0,1485084.074,13312181.69,46583.98202,39117.87514,13432612.26,18361162.86,4299738.494,2150510.276,7773242.909,25380758.84,38855415.09,909213.446,2810393.46,16322674.36,2453068.601,1630952.194,49061658.61,7185759.743,20136511.39,3486847.715,6053616.315,579851.2699,20122338.74,16987482.47,5198926.499,9752969.793,4684443.507,36959.90048,2435140.734,3915033.48,3221927.086,2405050.641,3286538.592,6962701.215,10213629.48,3245336.564,2898205.278,2914387.584,19267775.05,2213545.299,1361672.357,21332913.17,12065694.26,4299738.494,9127634.243,2203703.118,947584.0662,768123.0686,1227160.428,1573504.351,9844706.114,1222414.247,4457497.128,6148441.097,6105147.069,9558272.004,509092.2745,5366912.488,6180322.151,291382.3148,3480638.949,12425056.76,8645649.166,1394051.656,3542461.072,4922149.649,2373677.288,3322872.012,4396402.845,7718621.738,1044226.278,16714962.5,2406980.813,5825307.799,771673.7103,16285965.83,662126.8673,6264721.152,15809208.48,1965010.333,5846647.626,1864311.036,1456045.361,8282957.901,2763428.705,4921682.349,2115681.12,3945032.851,2398418.001,1748506.911,2092503.896,4117936.166,10137311.43,1145512.675,3228811.487,18575225.03,1843075.188,12913283.27,15656666.2,3011788.043,1100826.314,8270634.342,7103784.694,2322734.303,4390660.7,10221744.93,11737519.3,4580673.382,4572065.136,1503183.38,7371979.378,2634586.184,8906313.131,5594036.092,2485789.784,4208816.287,3504879.847,8063826.016,2653260.339,1604320.705,6418422.935,1879004.094,20777493.63,4985605.27,9429897.255,568966.75,1196159,2325872.75,1717812.78,91.79338485,1196159,91.79338485,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1,3,4-Thiadiazol-2-amine, 5-[[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl]-",0,"C13 H15 N7 O2 S",64.7,92.8,96.2,580,600,80,0,true,false,"w11n17main2",103334,0,"None",0,0,"1,3,4-Thiadiazol-2-amine, 5-[[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl]-",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[38727005.28344922,1010,false,0,"Phthalic acid, 7-methyloct-3-yn-5-yl octyl ester",217.1956,31.298,7824894,293.17484,6038268661,39209537,"C25 H36 O4",400.26081,0,69.5,94.5,99.3,584,804,2890,70,70895.50899,0,0,1278264.85,2411067.727,11363145.42,10874436.51,104486194.3,4321391.583,27911898.47,3675266.966,17157270.09,21569106.67,3213416.743,209545274.7,177725126.4,42196.83273,19413697.33,33986387.72,552603683.6,31201559.21,18641943.38,1903690.411,380619614.3,154126.0637,120701.6235,1460048.318,55805871.21,14365691.37,1154164.576,9500728.9,32964965.41,249555.4958,12500264.88,22191060.44,5816952.937,114581.1112,241512902.9,47219187.08,46259993.02,3118750.394,14260207.76,348906010.9,46854779.92,1021151.733,10085403.71,130717808,339625046.4,291309.781,15790445.25,7143096.627,10229313.47,12729970.26,21195563.22,65774764.37,965622.1083,6920308.579,11834987.04,30495800.63,10688046.14,2496876.169,149712.7616,21276972.69,49695596.97,8669477.882,3446955.707,84418052.66,24639864.09,16300779.25,1593390.738,60116495.72,26597320.64,9339469.093,19067996.24,34565058,1914729.171,3860501.562,994682.071,3035874.194,1227867.808,2808058.746,41091325.73,63681267.62,26067398.52,9761806.871,244823.5959,15167920.6,2024652.702,19450746.55,793008.2823,39547119.74,55627427.08,4309864.886,14260207.76,324507.4423,19667017.88,28387751.95,23305529.62,19754388.88,9729009.268,407043.8365,36760354.66,16288757.6,19016195.04,13551584,18077800.57,33955295.78,12283258.22,1421144.66,0,7392719.069,0,19045577.63,14312008.95,6709498.889,24290998.21,129863257.1,13482893.03,37351303.01,91358620.02,656378.4532,15798041.9,23910713.62,978360.7128,21449153.35,40680560.74,0,43035158.7,608703387.6,1297272.681,80225478.88,28108946.71,1654953.299,10332110.49,55719045.8,4593421.056,1710268.328,4587911.128,18209963.02,34682124.68,4796923.271,26009929.74,17482984.47,7970674.904,5973674.578,22509598.71,12592409.02,221546249.3,4838911.576,5383166.317,2952607.692,13225984.34,12160277.99,15037522.49,262956,911638,1705332.25,2401459.574,233.4730047,911638,233.4730047,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Phthalic acid, 7-methyloct-3-yn-5-yl octyl ester",0,"C25 H36 O4",69.5,94.5,99.3,584,804,100,0,false,false,"w11n17main2",266018,2820,"UnspecifiedColumnType",70,2.4,"Phthalic acid, 7-methyloct-3-yn-5-yl octyl ester",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[8610012.342921853,2469,false,0,"1,3,2-Diazaphospholidine, 1,3-dimethyl-2-(octadecyloxy)-",188.15645,18.964,2427592,161.13243,1500999742,9746752,"C22 H47 N2 O P",386.34205,0,66.6,87.2,100,588,760,1829,0,57295.30602,116996.0646,40919.09065,10630852.09,2719799.827,448072.4724,3166713.087,24934342.11,6016631.37,4732759.911,26745224.02,11180911.51,6600690.047,292456.0958,4140108.595,9070109.641,1946007.838,1217808.573,5431406.043,6754704.222,7160308.566,1116798.231,8391649.616,5253972.953,1539992.292,196681.8188,2320624.576,25079366.08,3233254.326,334394.0019,4993366.432,4835419.162,37187823.56,419981.7383,2733116.499,2798434.05,7291418.306,1236133.587,9550405.591,8252813.44,13683677.22,814087.2633,24454226.08,6100910.126,17518087.68,3903766.765,20162523.1,5122023.066,7935989.419,729003.6889,50868056.82,9192028.84,2555502.131,2152195.627,33058130.3,2877491.611,2937820.041,2201828.846,9356257.154,3295962.01,2581104.02,898797.1151,6107873.005,10876130.33,7021509.236,1317241.437,5532183.134,1665616.308,24934687.26,754977.7709,8606837.384,4864709.797,34835099.92,2699265.475,3588299.169,1845937.587,11564452.68,1005572.798,2152128.047,6785197.998,8540397.687,3610505.931,9485192.588,3782014.631,32159135.82,664591.2398,2185904.066,9363489.077,8733815.821,661907.7175,8153745.117,7269790.609,7779525.38,4993366.432,5870580.886,13003701.24,3452661.038,4464208.792,23640049.13,8578338.185,3007374.359,33268506.2,7400722.634,5126754.722,37968791.1,801950.8402,5731780.1,4322989.616,1157277.975,3366667.122,2098811.743,1877465.66,3051331.476,2579694.388,2580441.053,23678656.8,113137325.7,5226618.217,8055197.75,13961493.66,757361.9114,3872833.229,4760114.646,2885171.575,7237121.161,2271208.463,13722499.25,12358953.95,2001313.129,3757426.366,5470494.129,2398638.781,4202767.796,368803.5857,2613446.35,12628962.31,2333726.12,3518937.865,5869046.884,21868359.98,18451295.87,2939645.789,8358321.736,922533.7121,334294.0112,8644860.997,8348911.257,2010847.394,954990.0422,926099.3067,21333563.84,23251982.94,18059072.38,7373743.985,1379230.5,3026594,6932128.5,6024238.344,134.9929516,3026594,134.9929516,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1,3,2-Diazaphospholidine, 1,3-dimethyl-2-(octadecyloxy)-","117357-51-4","C22 H47 N2 O P",66.6,87.2,100,588,760,100,0,true,false,"w11n17main2",238725,0,"None",0,0,"1,3,2-Diazaphospholidine, 1,3-dimethyl-2-(octadecyloxy)-","117357-51-4","Low","117357-51-4","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1138079867.2888741,90,false,0,"Silicate anion tetramer",299.06219,18.328,2335388035,281.05099,{"v":155000000000,"d":"1.55E+11"},1008406142,"C24 H72 O12 Si12",888.22495,0,71.8,100,100,591,695,1786,0,290864548.1,34878249.88,18550926.39,854660311.6,267683133.2,329008383.8,1035455674,1413252678,29807736.96,841632043.8,1277024211,954743908,35972859.73,665155231.8,7690495709,575193267.2,620704995.8,976426036.7,562986880.7,82372852.29,33411836.01,907845509.2,478083439.2,772577177.6,68780922.3,564972900.3,860311680.4,2126948358,111842970.2,341678866.9,4059383664,642930113.8,113037651.5,895911486.6,1229397791,36687386.32,23800873.52,1021336096,1389006561,470118806.7,9802015682,400464226.1,2121285074,58376307.11,8301153248,388723045.9,2085705200,538915015.9,666929999.7,618930227.9,17445099582,1111790035,1043671726,737521956.1,18006236567,57335719.28,194063101.1,1091771803,2485283891,296912858.3,51181281.61,511177651,1781558594,616163334.5,66011992.95,733907035.7,1610865883,452217461.5,186756290.5,525058431,1559112542,68982874.12,54019538.72,809638956.4,861052013,22743394.28,28087539.74,199322520.2,664084435.6,45544408.16,54836466.03,1044770019,1062746700,406500581,879656568.8,814040722.9,738008873.4,41754851.24,869553005.3,1122589883,1406017414,36705280.6,2202227771,258882925.9,1078334561,178320571.8,654910065.3,640878443.8,163871099.7,568722323.2,360753535,1311961693,515228993.7,1193618257,190359728.1,651778878.3,1109329407,490244936.7,805099299.6,642930113.8,181266633,1944137425,210555476.5,1376695672,2191234857,45058230.58,605434851.8,972246263.4,364504064,448409547,3327613329,260984454.6,614962601.2,1689176465,298801262.1,579864025.4,1212512893,587739082.6,856353773.1,28529425.03,512623326.3,594474566.4,17857138.31,259555022,917492815.5,836149236.3,296939383.7,1203284899,26324674.89,269175479.7,897385217.5,930688707.5,28625120.94,2040215814,1298216897,49153052.2,751285412.3,2301983939,1629618018,670897626.4,887337856.9,1629102483,1293744726,556903799.8,39094784.5,112659506,206639422,179812307.7,185.9949003,112659506,185.9949003,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Silicate anion tetramer",0,"C24 H72 O12 Si12",71.8,100,100,591,695,100,0,false,false,"w11n17main2",435971,0,"None",0,0,"Silicate anion tetramer",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1431223.229894304,5385,false,0,"[1-(1-Methylheptyl)cyclohexa-2,5-dien-1-yl]benzene",165.07042,32.951,2874837,251.17949,200240114,1300260,"C20 H28",268.21855,0,71.6,99.1,100,597,880,0,0,179264.6498,0,13559.43735,178377.0108,144967.7608,82314.86865,22054224.61,1836465.433,2479978.987,0,3278180.055,1350378.105,833904.0869,557746.5247,0,283261.343,434933.9681,2636101.065,865909.458,7037997.984,820448.3292,0,326175.5438,6465859.783,1774157.757,0,209454.1341,5262759.436,254385.7576,925235.0589,689097.427,373136.296,918280.1129,670277.7563,2021575.562,42617.98099,110218.6789,3866984.407,16322817.55,10265052.7,218860.4443,1071860.47,1450595.153,0,220203.2309,151060.0499,0,1110856.198,78617.60372,551556.8884,0,7929040.729,1592420.137,935361.3233,889778.0489,1520574.863,953745.4547,0,578781.6564,3368399.712,201764.1948,0,581842.0176,647438.4434,730756.4105,0,1737842.203,18808.77481,2683585.326,113321.2209,822127.9596,1878077.031,689097.427,836589.6137,1680985.977,30721.10427,48864.07572,770306.7943,277405.8736,220857.5279,549992.4372,1344938.952,2408733.738,2736329.663,1064268.728,610747.6944,0,765274.4761,117947.9526,70303.34869,2528151.447,670395.3091,3432083.595,0,724595.2396,1313296.588,3103981.776,499317.792,564093.5785,2826187.162,664787.8688,173063.8183,5128470.064,1086416.254,0,2743843.526,356250.8502,2894248.6,254986.763,0,1016432.417,2982130.448,587311.4698,652353.5165,1686450.89,0,788248.2065,937533.4413,185021.2983,250338.7991,0,73502.41779,0,3263256.261,641974.0795,937611.9066,2020698.575,4135285.846,0,447321.1593,987314.8026,861270.024,593879.7232,0,2371433.791,1614311.808,255149.7059,842408.9152,893156.3811,2492241.007,689308.3026,0,209394.598,143189.4579,2605804.891,2255687.589,130865.4936,556275.2036,1817100.604,0,1668982.542,3082952.692,151536.2096,688886.5513,55510.75,158524,401665,297790.8308,141.3772539,158524,141.3772539,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","[1-(1-Methylheptyl)cyclohexa-2,5-dien-1-yl]benzene",0,"C20 H28",71.6,99.1,100,597,880,100,0,true,false,"w11n17main1",427602,2024,"UnspecifiedColumnType",0,0,"[1-(1-Methylheptyl)cyclohexa-2,5-dien-1-yl]benzene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[8137126.759190732,2823,false,0,"1-(2-amyl-5-methyl-oxazol-4-yl)propan-1-one",230.16711,16.854,1635787,224.15596,1180615962,7666337,"C12 H19 N O2",209.14103,0,47.3,63.1,53.2,602,895,1690,98,25832.63507,9405.292176,340239.6363,17127476.44,366934.0547,0,609262.3883,4936170.879,753626.0969,5579271.091,6500873.094,13500358.89,1012807.317,5774573.103,5047687.14,15519800.19,104057917.4,113142.1267,17603582.87,5926843.308,318009.514,240223.7861,2302457.548,2314779.467,513592.1327,2699028.584,292441.3246,5510572.003,106892.5801,18398050.65,47934483.97,1894228.485,2698585.43,401290.9411,636427.5688,2756114.364,1618451.376,151184.6187,1875480.443,700642.5721,2506904.025,2824750.118,182806.0913,3032728.288,3440493.981,3226311.545,35983347.58,813049.3688,624656.183,4150465.629,5211438.957,1251424.154,1355919.777,2572353.222,5395890.138,2168460.151,0,2441454.829,13402134.86,498598.6592,7402273.235,3089546.449,11380254.48,1535270.176,9004275.926,975992.7968,4706190.872,834448.8247,614043.0925,4697332.19,75371136.33,1016788.217,5164797.847,2360343.839,14283528.65,544017.0313,5836949.457,3285218.955,15883649.22,186898.1222,7540993.994,4160032.599,33934448.42,264185.49,13488438.16,2857628.974,0,700526.6522,8542655.568,4749543.987,5779944.008,2177325.309,9326077.809,2506904.025,16877787.33,1832296.977,2314230.713,0,1800248.6,4774785.89,3211349.557,7793884.469,8803393.623,11078808.77,1339883.432,2158045.21,0,1113668.836,9099313.195,0,2035125.981,0,1280510.94,2496758.155,81474037.22,2487005.659,2283547.534,636625.5582,781014.7026,7405231.303,102607140.9,1004844.601,5282153.481,206298.5671,2408084.125,1050795.625,2271559.646,1005699.788,1616990.434,8585832.082,140647.7018,2004283.199,50836325.34,4131087.192,4367454.742,3426184.123,1115041.541,2900824.489,7284451.425,2417246.842,3618509.548,160397235.2,1372330.627,2996742.862,0,3840109.852,3685382.108,8714262.828,2526802.392,2409015.668,2846642.29,456562.9033,2867365.301,2156567.551,109636.5,241329,596192.5,775736.8462,221.9068629,241329,221.9068629,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-(2-amyl-5-methyl-oxazol-4-yl)propan-1-one",0,"C12 H19 N O2",47.3,63.1,53.2,602,895,50,0,true,false,"w11n17main1",220093,1592,"UnspecifiedColumnType",98,5.8,"1-(2-amyl-5-methyl-oxazol-4-yl)propan-1-one",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[654533.2016540398,5741,false,0,"7 - ethyl - 1,4a,7 - trimethyl - perhydro - phenanthrene",233.227,20.02,823200,233.22646,135623338,880671,"C19 H34",262.2655,0,69.8,94.1,100,608,646,1901,49,27868.39222,0,3431.796861,599624.3013,335995.0923,82426.05682,604050.5171,343397.8615,1174241.46,226749.35,0,300978.9521,992188.7948,0,374199.0011,378224.1871,699755.2213,95314.83992,0,138251.0871,1074468.769,73963.48952,240324.8153,1891313.541,654080.6195,202497.7443,235558.0498,1943716.455,258706.4271,27701.33654,1053198.121,318487.0222,353994.4637,140606.2608,221117.799,471096.3373,247847.3266,101481.5714,178974.6902,460821.3521,1509517.96,35711.95541,487668.5855,489532.0163,937568.3059,45064.42099,808674.9568,2086547.433,1342708.051,110486.3435,2740315.115,627936.21,909094.2521,85313.82968,15182654.97,1349827.731,1336818.208,227682.965,180339.1313,0,131895.9473,166404.7838,180916.5349,942042.1416,355121.1607,80630.98856,281852.8837,632062.8516,116204.9227,40974.45207,154804.517,743253.8232,823619.179,150147.5365,280244.8447,831123.358,293547.7076,385886.0619,369172.2087,0,312201.5617,149152.6643,1032727.107,122017.5245,0,391077.1631,0,505924.5014,269276.3785,92317.03569,1577924.189,239572.3366,318487.0222,378314.3737,457534.6273,947622.8948,233148.3045,243594.4628,0,226745.5912,425496.1887,745244.5668,250050.4729,374949.5738,4318402.757,421911.0956,1437394.935,0,105772.6825,547296.9732,298937.7831,494391.0899,483397.7519,167429.8882,233061.4009,467533.7251,0,0,1026840.475,868494.9834,527611.744,0,304969.468,90911.76671,738623.5317,113353.4975,1045175.474,1073082.344,130445.6239,344835.9249,505579.636,129458.3278,274678.3829,398825.6178,40419.62286,114893.9596,0,206807.0266,65469.63598,1150199.974,85247.06773,347640.266,417734.7891,88860.15138,465926.7431,2401132.16,121293.8791,332004.5765,128926.1682,281141.3213,1196469.851,5615278.162,3671106.557,2313444.86,79027.5,143398.5,406003.75,410565.7029,215.9377274,143398.5,215.9377274,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","7 - ethyl - 1,4a,7 - trimethyl - perhydro - phenanthrene",0,"C19 H34",69.8,94.1,100,608,646,100,0,true,false,"w11n17main1",405805,1852,"UnspecifiedColumnType",49,2.6,"7 - ethyl - 1,4a,7 - trimethyl - perhydro - phenanthrene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[7167050.304395363,2919,false,0,"9H-Thioxanthenium, 9-ethyl-2,4-dimethyl-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide, trans-",295.33664,32.265,585178,281.3204,1104903430,7174698,"C22 H24 O4 S",384.13898,0,42.3,50,0,614,890,2976,0,130664.3111,85419.03305,16686.72865,4770190.665,1705261.261,247894.6268,8283457.088,18609351.85,6122914.155,5122416.706,43053048.23,4618776.474,3183710.081,2294275.105,35763917.49,2598431.225,603497.743,990464.3612,5582143.416,7289696.47,3473318.8,17273623.41,4370720.21,4350867.627,1902551.717,141334.9203,1409429.487,12644624.11,3987073.795,3071820.275,8093999.321,1702698.393,3591312.905,5948551.396,3491347.666,1690039.141,1597011.588,36112364.61,24737754.21,7479197.462,2925016.961,5255384.943,13879254.47,8477043.048,4360793.918,4052176.866,11851193.01,5680679.076,2541136.103,6270989.796,2490384.638,2032254.39,4518969.906,4885294.19,8144891.117,3737220.27,4202617.93,5307831.122,10424959.99,2828482.183,1365182.523,2192562.436,14449462.59,2576339.84,3566769.015,237444.6052,22979002.35,4144960.299,4992959.544,2687532.651,11058938.92,7435142.687,3174529.654,4854550.86,4360793.918,523086.6773,1038011.026,383559.6895,2335338.772,8304099.834,2395986.503,5504316.415,10785721.03,1004193.172,5192636.379,1220564.649,4902402.803,3279576.035,4574305.091,2744507.478,9860040.852,6349280.226,1936163.687,9700962.645,8191774.795,17354343.49,28920438.96,10854740.38,9231372.941,3583855.327,2639583.183,5650877.888,14910981.76,2889144.641,2445913.91,3644380.972,4296425.468,2136117.488,2466209.273,6662291.582,4211645.382,8761858.813,5020239.158,161043.2121,17057114.4,2475486.694,37903245.51,28193177.25,5621639.79,6174315.244,2041758.069,2491742.972,18638689.41,4850960.566,55258651.21,285339.4504,8764918.918,3663461.017,14547564.22,25153360.97,5235312.647,10758680.45,13457437.75,1379593.295,3441861.621,2177410.628,2832801.953,3872944.17,24341832.15,4459778.063,435412.4919,8545326.235,2678538.235,5662894.526,5071255.915,4261809.774,6492002.66,4034506.753,1792571.111,886568.505,2470580.691,1381979.828,3050641.136,2461604.289,365578,645754,1147930,1083321.689,124.9114808,645754,124.9114808,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","9H-Thioxanthenium, 9-ethyl-2,4-dimethyl-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide, trans-","77487-83-3","C22 H24 O4 S",42.3,50,0,614,890,50,0,true,false,"w11n17main2",233923,0,"None",0,0,"9H-Thioxanthenium, 9-ethyl-2,4-dimethyl-, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide, trans-","77487-83-3","Low","77487-83-3","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6590865.952677219,3150,false,0,"3-[4-(2,2-Dimethyl-1-hydroxypropyl)phenyl]-3-pentanol",193.12282,20.9,44134874,193.12227,943871357,6129035,"C16 H26 O2",250.19273,0,70.5,95.3,100,616,737,1965,93,41289.5875,32073.43704,0,19915172.48,1096109.729,5647700.599,4580403.591,14797082.51,2935706.871,12135722.98,15708802.13,12151695.33,2531300.785,3089596.167,6866186.811,11239807.23,2579773.423,9247997.147,13517877.26,6568838.553,0,4394801.001,4115354.188,4186529.147,2286934.918,1342171.152,3152188.841,9275369.436,5454822.823,2120326.306,4612877.891,189009.6417,1649429.023,4487602.296,161857.1283,8073082.439,1447372.898,10131745.92,14207535.1,1217160.562,10150050.25,1833951.542,9184958.396,3778595.533,8036690.795,3397488.561,4503965.823,382822.8247,396892.9482,8411846.152,7209251.617,280392.357,236669.9921,4265462.22,11588222.2,3311373.162,117809.2921,19415962.88,5630376.174,3097344.173,8215919.801,1614038.046,5725280.817,2585604.774,2260963.554,8465211.451,5139791.99,4672610.365,3158382.208,8003745.07,10514244.86,4471238.769,72746418.19,11020343.25,11928877.48,730528.754,7734267.643,1871440.122,7939037.816,1194007.257,10602355.5,10951353.04,22822010.15,6038049.065,10701500.9,805938.9926,8027151.312,1399339.492,9158924.642,14950447.78,0,789459.5372,25358758.43,2364674.937,314240.37,2617782.428,3351736.298,6865857.373,0,4290053.217,2643119.715,9906061.417,5514751.358,3777620.941,3809447.486,1501877.043,0,1781953.613,7823368.456,13462853.04,4487602.296,5856958.013,599123.3104,1405035.931,20424948.52,666256.9621,18571549.79,10170378.02,305335.0147,17881053.44,5855246.042,765221.9907,4125666.808,263245.9065,280637.437,2966060.888,17197280.15,1093701.736,2640435.458,6558216.872,2880905.68,6226961.257,8442695.719,44501.2805,7770189.93,38410552.6,27571.50366,4849537.784,6405977.245,304668.2354,4115335.294,6464158.199,678718.9608,5746696.506,19066824.21,282837.4522,17648958.96,16080888.3,2999927.573,8673633.136,1205499.593,9438006.499,546502.3243,826546.0781,1203960,3593146,6455545.5,4997042.061,111.1503613,3593146,111.1503613,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","3-[4-(2,2-Dimethyl-1-hydroxypropyl)phenyl]-3-pentanol",0,"C16 H26 O2",70.5,95.3,100,616,737,100,0,true,false,"w11n17main1",362822,1872,"UnspecifiedColumnType",93,4.7,"3-[4-(2,2-Dimethyl-1-hydroxypropyl)phenyl]-3-pentanol",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2476442.80174967,4757,false,0,"1-[diethoxyphosphoryl(methoxy)methyl]-4-methoxy-benzene",136.12526,23.964,1121720,136.12471,337098192,2188949,"C13 H21 O5 P",288.11211,0,44.7,55.5,50.2,625,643,2199,0,6717.303865,74408.12506,2024.899582,1729951.889,886510.4759,520513.2093,586472.7136,3517801.2,3760322.475,2260413.12,4650248.875,3333091.482,1023832.828,292720.3774,13223579.35,1127039.648,278869.3342,868910.9708,3474794.586,993340.8615,4491288.172,1993590.071,1987125.106,1742572.7,1120579.367,19858.57405,539897.1759,6989093.178,1559763.044,205177.606,1665905.07,1460180.356,724754.7522,147908.6159,875234.9271,39895.68702,489908.0646,1669195.175,2669278.17,3545267.421,1428495.768,85460.72975,3971749.662,1179184.248,1550108.89,991467.9,820781.9873,2583622.009,1461362.817,523789.1423,1193392.048,1789604.351,1938988.075,226573.7513,4940624.143,1727541.687,1693210.793,184460.6656,5938844.489,2755050.472,369994.8563,1077874.523,1068890.813,1700956.086,1395628.72,82220.95105,376617.0415,2386151.05,2446738.914,121364.8347,9413443.88,1293442.048,2305699.917,1036652.316,324059.8207,188895.9278,1680623.008,194653.1186,228810.3553,2007976.145,1409546.107,5337401.328,2351106.115,1591067.871,2351448.368,54940.39875,1983763.464,2908790.538,1327569.437,265876.7458,448907.2189,2266555.56,1428495.768,1203703.398,3163474.202,3180881.977,1312527.75,2483413.24,4822606.841,1420513.931,622033.2983,2471102.595,3595246.051,859337.1253,5139875.726,355243.2947,1947517.783,2037909.346,422693.4038,492078.2922,213190.6793,1937416.07,1199030.592,255881.5501,178214.7383,3346620.853,82462499.92,1067756.692,6938706.931,4031047.452,1526321.773,16135159.5,751336.4624,523054.6294,2059851.035,133908.586,8575529.627,2625538.329,749675.6693,2892769.464,3462387.655,2210581.234,2536160.156,435933.865,3350644.839,1206819.026,418598.1467,1263275.414,306588.7577,1567035.534,242014.5822,3956762.397,2345285.308,93823.17538,175121.6434,1493452.878,860161.783,140111.7012,100168.0398,159749.2576,0,2415279.804,1363538.658,3830336.9,329823.5,930876.5,1492423,1457974.207,231.5270647,930876.5,231.5270647,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-[diethoxyphosphoryl(methoxy)methyl]-4-methoxy-benzene",0,"C13 H21 O5 P",44.7,55.5,50.2,625,643,50,0,true,false,"w11n17main1",494232,0,"None",0,0,"1-[diethoxyphosphoryl(methoxy)methyl]-4-methoxy-benzene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2993568.0891684974,4491,false,0,"Severine palmitate",151.14865,8.619,198256472,151.1481,407233008,2644370,"C43 H65 N O5",675.48573,0,67.3,99.1,100,631,638,1217,0,8664.120989,0,77691.17497,1221735.968,643915.1688,52080.87663,857252.3586,88305.35921,111950.3366,934728.0378,363426.8886,188474.781,20216.06473,427155.2714,3686550.806,361528.1421,621715.3484,309649.5503,1630417.554,3001697.175,808334.8183,672210.2133,10960634.65,380423.151,124890.9759,2523745.473,3380814.783,330484.2391,41511.43959,537735.8819,1601248.849,653881.3228,128301.5552,1164570.305,1228864.282,750713.5708,447741.7475,1841372.096,15812831.67,96305.42873,396487.9836,1368581.531,918544.7674,632815.2586,238265.9698,143144.4475,1750905.89,501062.5764,402608.6079,122197.0895,1761024.382,705303.27,81653.27249,490188.0736,215228.872,789050.6376,134921.9013,7744470.294,1744030.575,87880.7743,667901.2804,271529038.3,3426538.034,597729.2368,16385.71181,1345015.757,478080.9445,570767.5916,779214.28,1942832.648,4294556.188,5553.666113,5225203.382,1822179.298,1160483.34,663939.3853,456084.6891,293994.8081,4897392.883,519200.9242,423034.7565,903717.7371,2224468.288,568862.0737,517653.8906,345643.8273,1528638.104,1301043.441,155195.3134,8614031.265,1265280.039,693045.523,537359.1747,1039511.697,809705.5513,355804.9634,419599.3378,263988.744,395621.6852,679134.0852,4288155.512,1965414.535,329730.8292,1009879.842,304242.6511,113702.8667,256806.6745,614772.9215,632815.2586,1062646.923,1599620.937,21092.59459,277331.5671,798270.2801,1567320.981,411203.6726,945802.4496,1903280.928,309110.7838,1094596.225,2507625.98,665160.2579,907065.2791,2431256.725,329569.39,424621.798,1806841.514,154286.9218,1256172.191,1690945.28,640212.4441,1178095.272,0,503709.1116,773596.3583,333260.1815,92869.13805,637593.381,0,207188.9842,989066.4888,469325.5687,400873.7605,298714.1577,0,625562.2615,859154.9315,6243984.247,760659.2194,1142967.115,570476.929,419114.6636,605762.1872,628037.1362,360428.5,620715.5,1290032.75,2665223.169,613.6167221,620715.5,613.6167221,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Severine palmitate",0,"C43 H65 N O5",67.3,99.1,100,631,638,75,0,false,false,"w11n17main2",426910,0,"None",0,0,"Severine palmitate",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[50147452.354315646,832,false,0,"Tetradecanoic acid, hexadecyl ester",257.2482,34.111,84104193,229.21631,8009510654,52009809,"C30 H60 O2",452.45878,0,72.6,99.7,99.9,633,689,0,0,18656.10194,11783912.43,65993.75829,32379069.72,46225880.68,5868986.451,1859661.397,77541978.96,103123506.4,17316209.58,278768400.7,67787308.5,68127016.35,10765038.61,133704862,19689097.3,10700674.81,29153789.13,67890089.95,30584145.88,99090782.77,64106611.72,31724109.43,52257681.94,63099368.97,2379694.854,8364565.785,108268927.2,33682957.6,9360207.733,48761174.23,39302475.2,30156212.16,25763687.56,43678620.09,46569115.38,20674546.48,36947366.06,74855934.25,43810997.85,55576688.74,20637791.21,153949496.3,120369149.8,34537304.67,21770140.46,120199269.7,68245069.35,23980819.26,21462656.79,17237237.07,86922925.48,41331174.61,44116473.32,43453645.63,184615443.2,81213532.91,15170965.5,52784798.7,22835570.89,20519298.64,33483698.46,37715655.3,23220519.53,45435476.09,37970730.24,146605497.6,27296090.91,26469274.79,5808185.508,67083366.33,40634220.17,68931172.23,68267179.66,51290499.57,5781611.153,17946749.89,23775417.53,21999817.25,60556677.08,17838989.66,69559973.35,115727785,14189871.55,22285900.71,3641320.554,89892.30866,23456013.86,32515170.17,50031893.41,136280844.7,39872021.54,13497468.73,49565391.92,52572432.16,21149602.48,42625787.25,72822925.26,109293394.3,53809651.47,25274182.94,51087647.28,39302475.2,23593126.18,51446407.16,2132391.618,19652372.98,174092617,4604696.097,54463846.9,9805098.734,51853846.37,48484005.68,32044259.66,50358688.49,65153038.54,173480928.1,78303266.52,59297722.99,72606058.67,26077794.93,85630181.52,46903520.52,69347936.79,163226305.8,25027765.56,137297462.5,52049180.91,35387276.28,60978243.29,14740756.11,30075230.35,36147273.27,12321703.68,23487467.64,25266935.17,13227462.29,39842196.28,32870442.51,37421159.35,87166388.89,86738733.84,33201348.17,26712014.24,38762754.12,76412304.75,100377087.1,21114155.48,18290780.76,11344267.36,9642656.779,43971003.2,40336587.63,37463875.74,9603226,16061344,28160150,21644471.97,85.90818867,16061344,85.90818867,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Tetradecanoic acid, hexadecyl ester",255307,"C30 H60 O2",72.6,99.7,99.9,633,689,100,0,true,false,"w11n17main2",340391,3164,"SemiStandardNonPolar",0,0,"Tetradecanoic acid, hexadecyl ester",255307,"Low","255-30-7","Checksum Failed","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6397603.203609275,3116,false,0,"1-(1-Methyl-2,2-D2-2-trimethylsilyloxyethyl)-4-(2-methyl-2-trimethylsilyloxypropyl)benzene",132.09398,12.307,11920700,159.11684,967671569,6283582,"C19 H34 D2 O2 Si2",354.23739,0,71.4,96.3,100,645,876,1419,0,374199.6417,1705659.66,335534.4934,6720653.159,3543384.423,2726223.845,5450983.471,0,1234747.619,0,0,0,4095548.529,3053725.282,26935975.27,4949897.55,0,1977275.975,8015056.392,282799131.6,3241233.402,2517694.697,6561001.349,2742619.479,0,6849461.473,16983359.84,8622297.356,0,6165696.099,12620766.85,4323703.749,0,3147479.342,3997886.112,11138705.69,1905266.865,2052088.472,19286862.21,1306548.996,1754441.686,2610542.608,6538576.762,4025586.558,1483305.983,2865596.236,7409705.943,1623907.822,1571109.964,2125599.91,12981024.17,2579483.705,1807000.539,2045740.405,5095944.383,4529766.26,3062881.602,6278267.714,8446591.11,0,0,10587170.3,14735454.38,3232077.082,4615665.626,1890000.348,18099974.53,3429453.291,0,3023200.534,5115360.301,2879103.679,2072936.217,2679354.819,3533535.252,4619745.187,5444459.446,3385452.353,20687026.35,2327609.635,2146487.394,3162386.933,5897053.151,3393481.595,3028873.005,5195154.089,4597053.491,3486271.791,2537113.635,3509410.133,5955322.801,4398516.209,3180072.039,2492411.637,3147479.342,3291359.613,1370927.052,16503614.88,1796817.556,1048004.041,5162216.541,7394528.53,2273580.006,7279649.09,1487169.281,1580520.381,0,2418737.892,2208407.077,3370420.117,2520768.467,2219986.636,1744680.46,2427244.941,5842192.449,1702752.121,3848980.783,4182579.925,2012073.843,5454166.004,8956713.858,8508794.65,2611651.609,9443758.14,2641035.059,1901083.797,11941784.76,1828563.393,2708518.148,3808824.988,5325328.644,3126800.191,3168158.493,4043834.439,1477687.797,1209629.233,1240643.335,2117979.004,14069835.75,1238024.249,5857975.68,15528505.44,2244012.277,3601428.262,16828727.03,3052479.992,2926462.576,6642694.548,2911012.347,3621627.731,1930435.532,1318129.695,4476118.416,2303431.965,999146.5,1457995,2492840.5,3006516.482,353.047316,1457995,353.047316,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-(1-Methyl-2,2-D2-2-trimethylsilyloxyethyl)-4-(2-methyl-2-trimethylsilyloxypropyl)benzene",0,"C19 H34 D2 O2 Si2",71.4,96.3,100,645,876,100,0,false,false,"w11n17main2",158025,0,"None",0,0,"1-(1-Methyl-2,2-D2-2-trimethylsilyloxyethyl)-4-(2-methyl-2-trimethylsilyloxypropyl)benzene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[42462306.1978874,956,false,0,"(2E)-3,7-Dimethyl-2,6-octadienal",133.10176,8.347,1225608,134.0186,6538434083,42457364,"C10 H16 O",152.11957,0,71.1,95.2,98.5,650,859,1202,0,2936076.433,11602428.15,3808227.752,22171490.63,13294472.58,15442129.84,29196829.41,6983305.692,8567524.408,21672170.16,7778376.348,19529155.53,9361174.074,3186498.096,32904461.79,6711235.046,36917780.43,28115781.93,444376430.2,12304541.98,22336184.38,19095840.55,28605741.23,19513069.06,22760973.42,38864557.53,47289646.74,18707904.97,18785398.31,20104778.63,44305727.7,28886798.19,9365692.561,20600662.85,60592918.26,35709354.03,8516659.745,50523716.86,41271147.92,30370766.69,94806557.4,17066754.42,115977102.9,14591446.46,18941154.63,14650847.08,10396971.3,16554384.49,35626752.94,17047961.17,66830643.74,21276634.74,11764893.17,14130821.23,30706700.03,23569002.37,17608345.64,19924690.95,12992689.86,16516743.02,27207184.63,1199462312,49430097.6,51628815.96,13451150.7,34821233.94,29039728.2,13444778.5,11817297.45,18795394.02,30696005.71,37904695.91,19983440.63,13818161.57,565487500.3,20600662.85,21851346.63,12284271.07,41772669.27,11557564.44,16243136.07,22427581.47,48378540.73,16057200.23,42032139.29,11654582.48,38329039.4,54313697.32,10057426.53,19906969.76,24513620.04,92067163.12,16982853.65,10596748.42,34255302.78,10952546.06,17532240.05,327817536.7,12663659.55,25778005.18,56436979.45,19714742.38,12353371.02,22665804.17,10171247.93,26622490.96,27326384.69,75128758.65,16980850.47,31043302.63,15804614.92,42177418.38,6142427.262,18626471.67,69859605.98,32395245.41,7312379.459,71006211.47,11930411.57,24472642.5,50121431.46,15840594.16,10765095.33,61382141.42,10072885.8,22324516.84,19633416.36,43440594.69,16655579.21,21034939.25,18781461.09,27067030.44,27792963.34,25012898.77,20661263.65,20889930.97,14462723.86,13664413.4,16103788.32,20540062.04,17328879.88,10954117.89,20464140.44,26012955.09,36913494.21,12538730.92,16650549.32,33504154.25,79304988.41,42135905.41,12740267.66,17131283.4,16999240.57,21394141.54,1344939.5,1915482,3118234.5,4014887.179,272.4108835,1915482,272.4108835,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(2E)-3,7-Dimethyl-2,6-octadienal","141-27-5","C10 H16 O",71.1,95.2,98.5,650,859,100,0,false,false,"w11n17_w11rep",9992,0,"None",0,0,"(2E)-3,7-Dimethyl-2,6-octadienal","141-27-5","Low","141-27-5","CAS-RN","DTXSID20881217","(2E)-3,7-dimethylocta-2,6-dienal","WTEVQBCEXWBHNA-JXMROGBWSA-N","(2E)-3,7-Dimethylocta-2,6-dienal","9.40E-05","Y","-",49,"CC(C)=CCCC(C)=CC=O",2,"Y","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",1.16378E-10,21.8874,4.51242,228.008,5.53111E-5,0.123944,5.00985,91.635,2.99753,12.1481,0.64336,0.0086826,"-","-","-","-","-","-",0]
[1016261.667983841,5646,false,0,"2-Isocyano-1-[N'-(phenylsulfonyl)hydrazonomethyl]cyclohexene",157.10174,17.185,249622,104.05782,154754714,1004901,"C14 H15 N3 O2 S2",321.06002,0,63.8,86.4,100,659,756,1711,0,44567.75936,154013.0099,64458.26111,720142.9445,58760.64659,326849.0926,0,328574.0078,77876.07637,445906.3294,322721.7477,870135.8581,84392.66687,66186.20514,87699.66992,781060.6507,146571.6486,39547.06876,4544302.671,498618.4198,60095.89942,75746.11738,338540.4287,6124325.735,93611.99076,269058.9397,92948.3928,29520631.51,207815.2942,77265.43313,1040159.03,200076.7001,503548.8901,66018.06049,364073.4355,483263.4502,8746665.953,111764.7403,1095166.716,183768.0098,0,32647.50755,63792.68748,815275.8483,695601.7949,0,658459.8368,127146.1265,375097.4735,399604.8247,1675661.65,360200.7468,290789.1472,31947.94592,1102696.146,206615.4767,141732.1092,0,741109.1349,206744.9534,801025.776,47170.95398,6074353.108,205964.6404,2638245.008,55454.01053,103263.7163,208885.6349,339237.6047,0,0,156661.6367,578578.4985,37647.42773,23253.45639,2986797.865,644228.5604,54071.42854,498589.0204,1640436.092,231375.9827,559207.0786,979806.5015,131021.6051,460789.4122,0,79621.94798,183299.8888,246973.0408,95731.53829,124228.0411,17418759.76,1522120.117,56687.20909,202164.5191,335577.941,398302.1189,115134.5427,238877.3293,0,94572.95711,469806.8204,293067.9179,60811.87293,205341.6444,1185865.978,301218.1848,241692.6672,0,764230.0055,0,93783.34169,207815.2942,87330.03018,185990.8635,244186.7955,356975.6778,98137.26658,204293.9086,807437.6393,6502923.037,265899.0314,283521.2584,140602.9833,337711.3275,0,1692473.254,128093.2675,64619.08202,147612.6059,155453.4897,0,64751.67583,5300026.917,66034.26593,133504.1148,175118.1713,104226.3822,440405.2312,2003622.473,232444.5939,4631848.473,210056.6395,2516638.113,98351.45658,11467314.23,854539.0395,195818.1045,168835.2647,113903.1802,423736.6597,205573.9488,636506.3725,338231.5032,73295.5,140816,434949,678700.1295,279.4275413,140816,279.4275413,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-Isocyano-1-[N'-(phenylsulfonyl)hydrazonomethyl]cyclohexene",0,"C14 H15 N3 O2 S2",63.8,86.4,100,659,756,80,0,true,false,"w11n17main2",66146,0,"None",0,0,"2-Isocyano-1-[N'-(phenylsulfonyl)hydrazonomethyl]cyclohexene",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[93628204.12433378,494,false,0,"Carbonic acid, eicosyl vinyl ester",141.16432,27.943,195192706,111.11678,14933099789,96968180,"C23 H44 O3",368.3285,0,73.3,99.8,100,667,677,2542,45,551688.7369,2135754.468,1218531.27,21907102.37,43169624.98,471339.8908,276663549,512669379,675664237.7,76633504.4,951027220.4,252232556.1,35887301.93,72462299.88,163987573,17307679.48,1526288.481,2584916.768,18969861.94,102249225.4,139727763.4,163975575.2,49432932.28,49493753.64,3440413.234,4762353.835,21974626.5,365793976.6,49463342.96,22917346.51,109094323.1,32092613.39,40872054.95,21341308.59,57024971.8,8360084.083,9582085.525,128827990,223755655.2,65620885.42,38028234.64,465258.5819,219502602.8,95096688.24,65167963.61,30387642.8,297085776.6,51577685.82,24233640.03,1101303.729,71232612.9,39167435.59,66879586.3,71980461.36,225665223,31561486.88,83374936.08,28548098.41,240148175,54937935.2,4801871.42,0,38856209.52,55503971.5,30940636.6,13225589.49,298098923.5,49662903.52,47616766.11,25001130.65,49263782.4,65209508.44,47250557.23,89443914.82,220596656.4,7005015.789,2365664.776,12660173.4,7062379.92,125662487.2,27841558.72,210251798.1,136248788.1,99086830.09,44000508.72,29142457.02,21227335.91,27225308.82,50960576.91,21222422.46,93297437.23,66102935.58,26628421.63,275568383.6,122529994.5,220703653.7,125817657.1,139668468.5,131687460,33080487.8,207914.2826,52205862.82,35132273.75,186759208.1,163066060,32040346.82,22979165.75,36720357.23,22260090.26,100925557.9,35906488.27,89528658.61,49463342.96,434396.4087,683859.4719,19947856.12,0,290701169.4,518730637.9,247198288.8,199760.3712,13881519.38,270886318.8,50204392.81,21262538.31,160048.2055,103675924.9,70856465.27,74258042.86,270069220.5,132546487.9,257637684.2,102161779.3,20212943.25,127328107.6,24099352.87,5321533.9,23626890.98,225640382.6,30478873.91,82455186.74,48722293.12,116867832.2,24697594.69,0,34650828.87,199622475.7,67533296.29,11573538.15,297536.0548,6557946.527,63249913.48,32523561.44,98075925.06,8416318.5,17397560.5,43510768.75,35217201.55,140.2046508,17397560.5,140.2046508,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Carbonic acid, eicosyl vinyl ester",0,"C23 H44 O3",73.3,99.8,100,667,677,100,0,false,false,"w11n17main2",199118,2497,"SemiStandardNonPolar",45,1.8,"Carbonic acid, eicosyl vinyl ester",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1866884.4368543052,4943,false,0,"(+)-Î±-Dihydrolongipinene-2,3-diol hydroxyacetate (Diol-II hydroxyacetate)",177.1642,16.159,19133037,177.16365,290452055,1886052,"C17 H28 O3",280.2033,0,66.4,99.3,100,674,855,1646,0,72211.79911,223030.5439,48529.06689,1503000.309,1137109.135,700123.2688,873737.3382,1596742.722,1308291.906,3281050.529,3333063.473,987532.1005,578102.3662,1203422.202,2898459.896,1469335.035,1627872.287,790648.1012,1356948.764,967642.7616,20384800.61,1834520.899,3472048.06,2142055.594,1109465.638,2729481.487,4301818.537,2117106.971,791566.0895,1627876.769,1770446.205,1180083.664,747815.6995,1373231.819,992982.9791,2461243.891,1486167.672,801869.2394,2302178.818,1246700.66,1577631.309,745157.9916,2030894.608,4094595.036,1824315.685,722736.1956,1584730.035,3780960.596,1453539.067,474714.1816,3699396.015,1151222.372,1076332.685,732911.1384,15089950.34,1850222.978,793351.1864,1518796.277,3785844.304,1028271.969,936734.7885,723347.0558,2346344.512,1881628.808,2359997.452,1238182.693,1995249.887,1034954.257,1989427.147,678201.4067,2339982.013,1079164.57,2249716.738,900523.694,1543823.558,1555253.416,1870119.357,374347.7276,3209405.403,2473961.113,1361216.74,3206339.789,1838656.639,554899.0696,1101822.645,1486167.672,2520096.842,2182184.463,1658345.587,815450.2305,2964655.239,2135428.877,2833580.732,541430.5713,2620830.496,2096706.945,1206892.237,1462181.501,1025370.551,712443.7676,1802489.13,2247179.151,800553.7653,1424803.357,2298535.453,731367.0078,3072764.426,718241.3439,912297.9165,1605573.562,578092.4359,1020482.099,782033.0496,1320696.457,2528609.039,2443800.306,2158905.539,1105538.338,1547408.099,2340689.6,3257471.114,1677764.457,984828.2479,3696687.794,2115547.37,793963.664,5090354.022,912753.8955,825202.2148,1962009.74,1861162.017,608029.4404,1619594.783,1000599.682,837787.5008,2067724.509,538514.2187,766297.2756,1608157.328,1294009.226,0,1775820.216,1842782.434,653632.2101,967124.7004,1424927.245,600807.5041,3375948.858,999000.4809,805527.7486,2232922.217,1147548.521,3204564.712,1303240.887,563316.25,957996.5,1406839.25,1243270.907,137.921784,957996.5,137.921784,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","(+)-Î±-Dihydrolongipinene-2,3-diol hydroxyacetate (Diol-II hydroxyacetate)",0,"C17 H28 O3",66.4,99.3,100,674,855,66,0,true,false,"w11n17main1",468000,0,"None",0,0,"(+)-Î±-Dihydrolongipinene-2,3-diol hydroxyacetate (Diol-II hydroxyacetate)",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4344424.764859137,3921,false,0,"3,5-O-Benzylidene-2-deoxy-DL-threo-pentofuranose",105.07051,34.873,37454137,106.07775,587026975,3811863,"C12 H14 O4",222.08866,0,72.6,97.6,97.3,677,729,0,0,645405.4068,1688893.199,442811.1548,2043193.067,559589.2662,2332658.317,9840839.717,24642.69064,923112.1354,2660922.297,66460104.3,15079529.62,3813472.985,1358943.187,41470646.62,6872413.046,1659061.175,3586905.501,32954889.65,361667.1382,2334837.362,11187873.45,9162402.837,5334015.355,1383146.304,0,2283010.869,8679099.841,2089606.042,645744.5854,2029010.678,3490177.323,2085977.724,1569705.735,3960517.645,2596869.647,1327749.947,7684659.068,7998640.328,3160147.611,2497879.829,2579692.479,10845900.19,2393507.811,2451983.367,2354494.592,6001064.567,2603432.099,2333687.525,3168311.818,3559252.491,5133624.858,1575062.986,2035313.21,8760949.426,2392327.56,4461172.258,1660873.795,9236523.968,2355674.529,1834668.388,1551511.083,5623419.001,1380192.813,965720.8729,406421.8245,20900037.15,2275155.486,2750451.441,516363.0335,8871977.466,4531949.031,2057632.804,2733259.625,5473766.889,2545579.613,1155717.601,1450054.137,2811513.315,3910693.271,1297517.49,3982858.917,4097726.308,1253019.511,1840861.642,419030.5091,2351037.805,1889049.93,2265078.289,2058744.857,3971974.713,2972740.376,2777630.828,4463744.119,7523820.643,5985010.32,2497879.829,4710606.176,11370838.87,1583102.29,1397915.097,2544055.535,1361378.565,198981.7533,4078844.139,0,0,4765671.418,1214801.118,2297945.183,2231328.78,3931743.738,3279673.981,1183653.979,203518.0419,8259535.236,21929241.17,301624.2163,3661931.43,2670420.556,15412.74963,3414175.728,12664455.91,2030272.372,2896084.409,2667288.394,1116364.052,4291604.711,4362854.348,377508.068,10816159.01,4313198.829,5068367.989,841692.2146,1258854.468,30558.91516,1504405.012,2593661.245,195501.1893,2401104.562,2886967.393,4747314.543,2936737.277,1710654.131,2402098.413,3647289.439,4677120.772,2365518.402,1830625.035,1406881.94,812816.5647,1343929.431,1331222.792,3072304.56,1957839.75,3297506.5,5787267.75,5170280.358,138.2069261,3297506.5,138.2069261,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","3,5-O-Benzylidene-2-deoxy-DL-threo-pentofuranose",0,"C12 H14 O4",72.6,97.6,97.3,677,729,100,0,true,false,"w11n17main1",262872,1771,"UnspecifiedColumnType",0,0,"3,5-O-Benzylidene-2-deoxy-DL-threo-pentofuranose",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[15275298.159575494,1992,false,0,"2- and 4-(Trimethoxyacetoxy)-2,5,5-trimethyl-3-hexanone",55.05477,16.4,750020,456.99307,2172895316,14109710,"C14 H26 O3",242.18765,0,72.6,97,100,692,886,1661,0,7237048.484,5628717.543,6031098.434,3162624.763,14142321.56,2251074.47,55984826.79,19568387.73,23013407.09,148040110.6,74427725.96,28136239.88,40989673.54,3052880.379,4846378.22,26973845.28,7405652.313,5045222.969,4227739.291,4204368.704,10047307.73,14714803.58,58839738.81,5164997.23,6822945.663,5630558.81,1812681.198,9577290.27,2789276.642,11113446.88,109084678.1,13506543.5,4746685.961,1287011.655,9774589.346,21698073.71,8015388.681,676922.8889,0,4304908.453,2201808.656,28608959.3,120209198.1,5013112.876,8726480.021,12596254.83,25379047.84,1147718.54,8748286.237,1033290.358,5300096.55,10285757.62,9242931.582,825344.7275,1145153.103,16447066.62,8518510.188,590825.0392,18285275.01,9225409.161,12270728.39,13149705.28,1568256.632,9081502.653,23471379.02,1338238.56,4996164.843,6404347.871,1367765.29,19597956.01,21547010.66,8704673.804,18651881.84,1117858.418,2699274.403,8124172.585,9915426.334,21596563.14,1867228.623,18619537.09,13413646.06,2265995.946,1889648.264,8054092.314,2345497.505,13847579.47,982081.0411,9582809.547,1261142.596,5668592.123,12395995.88,22497580.81,23820994.58,15382644.74,56791520.26,1486245.868,774863.1002,64744799.76,6314177.023,1771705.837,22577082.36,140327909,8507624.019,0,15098293.15,1197309.595,1226127.651,18217545.37,23157272.45,15307677.49,8726480.021,711080.4809,17443538.75,2661135.823,1352280.934,7149006.124,1147641.743,1310050.234,3013598.495,609874.2086,3270969.904,11195908.99,3665254.141,3524017.158,17239728.7,2409620.86,31429637.09,1423713.714,1121696.818,32107574.61,2729664.425,9173833.423,28287493.29,33968701.79,1960919.67,42119507.73,8279126.619,5155009.482,31229322.06,35491084.84,9949597.909,26038596.18,15994877.73,23265746.38,20332846.7,12354782.3,1906502.717,24468591.28,9450916.235,841244.5345,12926300.7,2297922.904,3835075.468,17390568.67,43416,168865,341533,278794.047,158.9688605,168865,158.9688605,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2- and 4-(Trimethoxyacetoxy)-2,5,5-trimethyl-3-hexanone","69204-91-7","C14 H26 O3",72.6,97,100,692,886,100,0,true,false,"w11n17main1",334210,0,"None",0,0,"2- and 4-(Trimethoxyacetoxy)-2,5,5-trimethyl-3-hexanone","69204-91-7","Low","69204-91-7","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1561199.8118177485,4999,false,0,"2-(1'-Methyl-1'-hydroxyethyl)-6-(t-butyl)-4-methylphenol",189.16431,16.739,385065,134.10469,276251131,1793839,"C14 H22 O2",222.16143,0,63.9,74.6,100,702,702,1682,63,184086.8375,34585.1088,11077.70193,6894271.782,455071.9336,402353.6094,221327.4665,761002.5854,452237.3276,1107022.411,3879871.485,744481.6456,483787.0277,822615.1546,709150.688,435283.1744,726374.0396,285164.934,510883.3657,17093592.6,6895327.182,849463.6874,3005998.096,279374.4935,1661186.111,1750128.561,258560.6409,735427.8426,764352.2116,1477821.916,7965292.297,213912.6164,1792411.074,1019040.496,217770.1665,220977.5351,906294.9605,421140.5543,588332.9858,445989.6786,3408875.487,462929.2287,404822.1597,1516301.631,3324183.541,605652.776,10058795.33,1432467.962,6192133.797,380984.3873,11529943.18,744276.4164,1683441.774,180870.118,2100538.879,622676.1775,802497.3982,678899.9439,929413.9657,341178.9761,4514966.248,635267.734,0,915107.7735,1108444.921,442562.7982,2049961.916,401215.1727,224588.5386,590275.3103,401521.6997,726579.2687,284322.8312,721848.7023,689123.2162,312981.8368,797897.5358,414123.437,0,381878.0216,30371550.57,696445.3017,1207196.061,787013.2457,495747.5445,1673360.767,592737.9459,1114506.125,1103036.874,681466.2916,834745.9813,753549.4998,1251947.518,369299.3646,1417858.31,1093972.012,1474159.701,921336.1974,754570.1541,783717.2987,335105.4272,2976518.507,628710.9685,583499.6122,279982.0247,2632562.03,1583309.201,464321.073,587675.0163,1553431.865,629860.7174,735427.8426,148361.9916,1447017.557,889350.9258,1207739.241,5851509.684,526640.7587,730458.0776,951376.5324,930832.3875,915476.6404,651419.5233,2453318.511,185062.6569,217343.1636,3772354.766,783694.2736,264927.9743,888167.7359,743539.3074,188751.8576,963553.8345,0,388652.1566,1517727.642,91135.01738,153068.7614,850081.5149,431934.1246,199492.4292,740397.6076,458757.9947,200359.6118,345462.0512,583323.6382,391319.8456,946834.847,290601.7251,1328825.13,1171258.777,470487.0075,7846180.435,788908.393,129517,204804.5,370327.5,513152.4595,221.0635804,204804.5,221.0635804,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","2-(1'-Methyl-1'-hydroxyethyl)-6-(t-butyl)-4-methylphenol",0,"C14 H22 O2",63.9,74.6,100,702,702,100,0,true,false,"w11n17main1",264490,1745,"UnspecifiedColumnType",63,3.7,"2-(1'-Methyl-1'-hydroxyethyl)-6-(t-butyl)-4-methylphenol",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3285785.082510597,4073,false,0,"1-tert-Butyl-4-methylurazole radical",119.08617,32.819,3824599,120.08902,533285971,3462896,"C12 H14 N3 O2",232.10805,0,72.6,96.2,100,705,770,0,0,176898.3981,79400.017,68929.28065,669370.4022,227873.0322,0,4037879.75,29942647.13,4030365.028,1354500.081,46456756.79,3069969.919,1023831.077,1446895.949,23746489.02,655787.8914,241319.7603,1443183.141,4934210.895,8008979.883,1290202.741,5240112.29,3926639.793,1220270.42,371603.2377,303321.5246,746876.8508,10603212.03,1107501.528,453428.5702,837680.0895,481175.2447,796878.5048,561969.968,2968614.715,0,524621.7463,4457852.596,5513843.122,1858727.771,2358317.625,1740095.766,2024928.355,3142350.817,1015907.56,1398841.611,1649269.058,926567.1823,811944.2646,1558188.359,3065401.268,404710.8606,554517.1022,1219341.885,6131089.914,434438.5569,2357246.212,1609706.635,3953655.895,1281155.605,738284.1693,1468225.243,4609061.053,1416720.652,1349537.974,470912.8028,17540636.35,539591.6729,2818967.468,964961.8456,9662819.615,1380962.571,3599608.849,664696.2105,766900.774,397248.588,0,322078.9058,406615.0649,6358664.128,1965891.714,2064239.723,3680206.565,468916.5647,844168.3598,665667.1734,1398841.611,934331.4241,1592347.878,903003.2492,1886284.459,14065539.42,14122264.71,3047462.441,2925518.865,3359628.947,2234224.512,4912132.253,2302398.582,1176845.968,312572.0487,1566276.161,607752.5539,1995437.841,6145083.496,1453391.006,523087.713,7143404.882,1069681.306,670451.7975,1844661.738,1101840.063,0,523154.0036,9290543.671,364790.5491,17968856.05,15235845.58,1398816.764,1398866.459,478034.759,792051.9623,7912537.787,746397.2364,1780977.745,1640714.561,1249612.242,1597636.348,4587300.311,10002544.09,299055.0834,6073599.985,4618612.198,759769.1054,590388.2756,0,838039.2647,2762009.614,14620364.98,307228.0554,851208.5296,6222659.244,14507785.93,1973887.407,1653960.281,763213.3746,1873185.536,1166059.085,446623.4819,591928.8312,0,0,159908.1335,1453064.96,160824.5,317027.5,758057,804503.1944,174.8946965,317027.5,174.8946965,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1-tert-Butyl-4-methylurazole radical",0,"C12 H14 N3 O2",72.6,96.2,100,705,770,100,0,true,false,"w11n17main1",297413,0,"None",0,0,"1-tert-Butyl-4-methylurazole radical",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3502458.103869537,3969,false,0,"1,4-bis(Î±,Î±-dideuteriobenzyloxy)butane",137.13307,6.758,2132476,139.11182,571002218,3707807,"C18 H18 D4 O2",274.18654,0,74.4,100,100,717,795,1109,0,14084.37948,2079.943525,5204.620588,1668061.312,1095878.137,963100.2423,15489225.7,734152.7586,0,1243723.324,410502.8344,0,0,1434146.265,0,1237763.39,3103220.88,1483795.257,1531878.148,308172.5536,1145252.157,1235434.22,0,8119719.539,12782431.79,3270479.62,3212435.912,1143700.471,0,1236598.805,2330868.357,2172153.253,0,5624103.956,1432520.334,0,1328654.07,2759598.532,4447091.943,462142.7934,980840.0893,5868257.271,1462399.875,933574.2716,801544.4671,16535.16833,1172664.319,740380.4306,3289045.413,574937.4001,3660513.179,617025.0769,0,1300533.29,482352.8957,742349.6962,869686.5781,1872509.267,2037327.765,671546.4298,2521965.955,6780116.834,3659074.927,885469.7256,1433555.459,2005102.54,2812715.331,384743.1093,781097.5759,1709737.429,7789378.334,234992.9325,2098149.828,1110327.394,2872472.814,581220.1392,1014118.144,581181.1788,6269451.323,269166.1964,0,2056386.85,3306331.276,433533.2282,1550195.07,1786206.837,1236598.805,0,401203.7425,5189867.897,1245509.719,759157.2378,1806131.679,500801.6975,10138262.8,358893.626,1023916.677,2289699.341,0,435194.9727,1049959.992,1288647.32,333765.0333,6482950.771,0,8252542.704,7082034.241,373024.3833,3241438.543,2784889.898,7995710.853,2925696.069,419311.8456,3114085.558,3881085.192,20631320.41,1893441.871,1659248.467,306393.3665,477832.2165,2410995.822,781996.1701,5217509.835,7795198.043,714939.5322,1005640.3,1840894.759,590636.0068,830193.6757,1405559.788,3142331.628,1109552.284,81914.66597,2139846.189,658453.0128,2443037.171,434092.703,592020.844,124076.749,204631.5898,203921186.7,1163299.144,882900.0313,5716909.996,3568261.211,4062561.402,1309898.466,3125404.264,745917.8664,2393358.115,237544.1939,0,1476284.869,737989.8607,771608,1460036,3288083,4376249.876,478.5016545,1460036,478.5016545,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","1,4-bis(Î±,Î±-dideuteriobenzyloxy)butane","55760-19-5","C18 H18 D4 O2",74.4,100,100,717,795,100,0,false,false,"w11n17main1",434458,0,"None",0,0,"1,4-bis(Î±,Î±-dideuteriobenzyloxy)butane","55760-19-5","Low","55760-19-5","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10402840.27254343,2399,false,0,"Pentanoic acid, 3-methylbutyl ester",84.02113,5.783,19428693,85.02841,1580904487,10265614,"C10 H20 O2",172.14578,0,74.4,99.2,100,736,750,1033,0,1020118.881,1515532.223,1630.609361,7513864.419,9243313.247,7928319.687,13543878.59,1255985.601,9418.999188,7916220.364,15959237.86,14198795.28,8133619.864,4852804.848,12079873.88,12030930.13,10085411.57,6243307.063,23106856.46,5183469.929,12805949.83,11458999.53,307127.2355,0,14533393.24,9678250.347,15575255.13,15543594.2,14296037.05,9473468.169,9460781.797,12927731.99,1028677.699,6744547.724,30072702,8964819.629,8197525.637,72818.67871,26958829.5,13461185.71,1244257.591,8930002.266,18851556.29,15348932.16,1239187.081,7829090.868,26206089.03,4813450.803,13228098.8,7849806.877,15562441.84,10219872.6,14301267.91,6499482.919,12198290.86,5255760.86,12427225.62,9621328.803,9178811.049,4360462.161,10185783.61,7462805.309,70754.01402,9300234.791,6465534.57,5895358.015,22775915.37,4933220.684,11367622.09,8963597.932,10674959.57,10201484.3,20094901.82,14150267.75,321681.5086,13801459.3,7641194.244,22041.63334,14295036.81,14813885.26,2239895.571,3661852.402,16011027.76,9350035.965,8175531.032,7607201.474,44400875.96,8662760.515,5813933.703,6711625.703,11168462.11,9460781.797,553028.6063,10387636.19,16337498.59,12577382.54,7408333.473,24981895.05,16771905.76,7680213.391,10523167.6,10581230.83,1767355.212,7864396.903,2952206.893,9168632.157,7489518.964,12071819.46,10459007.3,10814997.42,10012052.4,16079833.04,8062365.705,6156108.077,10359062.01,14535380.04,24298045.39,14946094.77,6291215.154,9530201.868,14438875.96,5420876.584,8893217.606,5380772.48,20843638.73,7994667.687,17798965.06,4617040.497,9391361.725,17494462.49,238701.6854,7703188.906,15657684.91,8369763.753,11750068.32,28842612.46,5766083.487,5790910.335,11936185.82,11519984.24,11535909.65,12558647.25,8262287.849,22525787.76,8483984.087,8900565.95,12393116.91,10559322.66,5535270.781,6497368.117,4557364.154,5501793.149,12544698.86,7748974.6,10324186.5,14796282,20436206,16113334.39,62.5028586,14796282,62.5028586,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Pentanoic acid, 3-methylbutyl ester",55032,"C10 H20 O2",74.4,99.2,100,736,750,100,0,false,false,"w11n17_w11rep",12757,0,"None",0,0,"Pentanoic acid, 3-methylbutyl ester",55032,"Low","55-03-2","Checksum Failed","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[32993389.452516563,1127,false,0,"Undecane, 4,8-dimethyl-",182.20343,14.777,62887901,85.10121,5210957382,33837386,"C13 H28",184.21855,0,74.6,99.4,99.9,743,818,1562,0,1847243.562,4363294.918,1560529.619,23506036.25,5070794.994,5003721.813,54844860.99,53953165.58,9111018.411,54874076.11,107442476.6,12340628.98,1603461.94,15251714.35,129216079.6,24855980.78,28437829.06,10367270.3,22225004.45,22470360.09,102922957.3,20467200.38,21920653.94,13387245.88,9244002.779,22691546.27,47753887.19,34310407.17,4403889.676,12942660.86,1093546.053,26334537.29,5795992.849,23689592.91,72155114.93,40775873.72,9171295.652,12133833.9,76545372.65,12064523.76,22347682.27,8459105.35,25510823.69,54060183.93,31434924.61,11330625.62,59539214.56,27356425.3,14371129.68,26770006.4,218807077.1,21113962.89,11296046.38,10288702.83,208766128.6,23800937.01,10640951.26,76366336.01,22695789.84,31289192.84,8711132.431,26758205.17,22396605.5,2309643.444,22298759.04,68547694.44,62841115.06,0,22242738.21,8282171.755,21954818.03,10195367.17,16226825.47,21187560.99,53224065.76,11555404.99,17549282.21,23739624.95,44412216.51,85856502.93,13648873.11,67640771.83,107536290.8,8094732.727,13808938.65,24735116.45,28418839.62,47156336.33,9140089.109,11344951.15,42496721.03,60342195.82,27200820.62,11120671.72,29278518.67,9516859.565,10086461.51,76227896.89,1581715.075,7383118.779,58776879.99,30630850.4,10470765.81,13410697.57,13122470.03,22347682.27,71144531.77,7165185.347,38408955.89,48986662.58,26609430.75,19687760.79,29078386.57,17826558.84,24603904.7,30046168.38,15012422.88,36225517.1,20785683.82,58908687.75,91556586.34,4361759.536,6863753.677,14372962.13,9041019.851,4104102.157,18456653.32,41668831.18,24035416.6,17545153.49,39583463.91,39471753,20225180.43,11570165.49,53941513.64,359301997.4,11032220.08,9098978.283,14684823.42,10302846.69,30008808.1,23527602.09,24125978.85,30655443.18,8715921.936,21167762.45,35698079.96,58467362.48,6595312.772,6666192.939,27155819.72,39240247.38,38792093.5,13043282.97,4718718.75,9251860,16432110.75,14256315.59,129.4854969,9251860,129.4854969,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Undecane, 4,8-dimethyl-","17301-33-6","C13 H28",74.6,99.4,99.9,743,818,100,0,true,false,"w11n17main1",145245,0,"None",0,0,"Undecane, 4,8-dimethyl-","17301-33-6","Low","17301-33-6","CAS-RN","DTXSID10938269","4,8-Dimethylundecane","IQSHRQKBIQNFHO-UHFFFAOYNA-N","4,8-Dimethylundecane","-","-","-",4,"CCCC(C)CCCC(C)CCC","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",2.12353E-11,887.806,5.1224,220.853,0.14526,7.76198,5.87396,1541.32,6.50854,-61.7731,0.90402,1.37848E-8,"-","-","-","-","-","-",0]
[1959676.506214635,5023,false,0,"7-(2\"-Hydroxyisopropyl)-4,5-epoxy-17,18,19-trihydro-3,6-dimethoxy-6,14-ethenomorphinane",385.34735,34.788,1720629,367.33563,272250604,1767861,"C23 H31 N O4",385.22476,0,49.5,60.4,0,764,764,0,0,383319.0958,0,288868.1354,828857.5008,234204.2015,315633.9755,75050.85123,3781063.315,2693919.041,1217534.278,11747933.92,1372580.382,1600550.094,80867.46398,9626447.824,61287.57878,191342.4404,682143.6808,4051603.117,867677.922,3443579.181,31145.80177,599796.8227,1103911.207,510503.123,40180.6224,321135.0777,1940746.122,1508320.503,0,755500.5908,1080555.082,634028.6685,145963.6327,2716691.738,182869.6015,149252.8164,327944.2656,2255039.086,1255313.785,517454.838,69314.50791,2351886.578,3067865.629,1856201.454,0,590603.0851,4332937.832,723045.3089,23038.89826,2638943,1554280.214,3434832.031,14163.50257,6030418.144,2776597.473,4128600.113,352115.2541,1172468.517,130833.2339,630676.1155,37771.33645,7533597.958,2916068.547,457242.5792,0,787955.8726,1829421.473,242660.0256,107452.9743,190309.9634,1488647.002,1636874.156,6448242.083,7047976.354,0,208236.8522,89323.45642,2404795.64,3397513.082,1326949.257,28207.40729,257069.6358,2945353.16,106276.6775,0,218759.1097,1437326.612,2006739.014,755500.5908,203269.7461,1437714.471,1059182.201,62617.4414,49054.86455,7507924.748,86170.53265,57206.17343,9179011.881,2402540.424,437449.4056,5789668.875,65923.6323,3350647.747,2914956.222,18194.99758,0,5162562.347,178493.6457,797611.5161,372245.1904,257911.0411,6338049.274,207689.4696,0,7605270.607,28917314.09,6743516.89,1045370.57,3953313.96,57644.46692,1581738.65,1070683.426,134733.237,9997725.875,254698.5425,209429.2496,2927018.285,441845.7625,9769427.424,5700270.417,4577680.945,0,48522.60364,41743.12402,52397.19168,627112.359,35626.9,0,3417437.025,895785.445,883888.8225,2220386.619,139988.9079,95882.41108,102624.1103,3345742.454,0,405677.3437,31844.664,0,4961882.241,2875338.921,2071771.19,66530.25,418755,1151553.5,869461.0429,146.6202282,418755,146.6202282,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","7-(2\"-Hydroxyisopropyl)-4,5-epoxy-17,18,19-trihydro-3,6-dimethoxy-6,14-ethenomorphinane",0,"C23 H31 N O4",49.5,60.4,0,764,764,50,0,true,false,"w11n17main2",236689,2753,"UnspecifiedColumnType",0,0,"7-(2\"-Hydroxyisopropyl)-4,5-epoxy-17,18,19-trihydro-3,6-dimethoxy-6,14-ethenomorphinane",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6781883.635984105,3065,false,0,"E-Formic acid 3-methyl-5-(5-methyl-furan-2-yl)-pent-2-enyl ester",99.08103,16.563,2178088,99.08048,997483374,6477165,"C12 H16 O3",208.1094,0,73.1,93.2,97,789,869,1671,93,238806.8819,0,126230.6807,7328339.798,936552.0616,790889.2694,1949816.881,0,1729353.157,2515365.198,4070996.705,1510008.117,1992019.109,1316049.522,986206.2669,2473014.997,874843.8822,57700204.89,1451670.789,1637443.454,253426.4457,977570.4956,2021093.069,3834116.729,2353090.828,807619.2266,670624.7599,0,732228.1474,291485.9736,1301008.827,1217564.977,6468809.718,55706534.62,1120241.922,1744093.982,10224339.12,558729.2654,2783076.488,1335589.818,12889350.5,17198442.53,2919585.965,1573725.786,9017140.137,543913.8737,3900504.334,7077362.564,11622917.22,775122.0944,7669248.629,1958607.472,0,494009.6379,0,2145703.931,42454920.38,28396752.62,1667670.094,888942.0641,538746.9007,356984.0726,1219555.49,2558339.854,2307297.175,1320575.462,2061254.775,61804573.31,752859.2037,362973.6541,1479781.477,1205619.229,5568747.629,4180890.51,2365210.599,873671.4745,2763366.363,880385.5067,1488752.319,80945239.88,2518830.226,3156446.447,2884106.507,1864649.781,822886.5669,669102.3012,53171541.29,1621282.175,12384863.66,2146466.465,2715818.004,1144911.148,1016967.073,628641.4228,966672.0644,1369228.893,574559.7326,1616009.733,16517631.59,1662847.335,73726257.82,2277161.206,626151.7697,617927.8834,2684769.621,801190.4448,1573725.786,1007586.702,513884.4773,2777999.098,621060.0276,1064101.828,909173.1246,973932.2141,1925784.441,3767762.689,821466.4983,1115875.122,1470451.513,18068123.12,42618595.86,4300898.62,358827.1476,1165897.082,901179.9847,297514.2003,1414406.953,393617.9196,391505.0187,1301072.832,3523195.791,21649279.5,38960648.56,888297.3891,1563457.974,4009426.429,361985.4077,152813.7591,4788451.901,35238321.56,380635.5019,2666652.918,2327970.423,414910.5264,1583993.597,17639925.16,411400.1162,1994783.689,284795.202,830547.5359,9562917.618,34222964.52,42733446.72,6039480.591,252088,530306,1215364.5,2199195.102,203.5954654,530306,203.5954654,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","E-Formic acid 3-methyl-5-(5-methyl-furan-2-yl)-pent-2-enyl ester",0,"C12 H16 O3",73.1,93.2,97,789,869,100,0,true,false,"w11n17main1",216300,1578,"UnspecifiedColumnType",93,5.6,"E-Formic acid 3-methyl-5-(5-methyl-furan-2-yl)-pent-2-enyl ester",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1754527.3361071788,5226,false,0,"Trichloroacetic acid, 2-methoxyethyl ester",116.90655,6.105,91678,138.98772,231580095,1503767,"C5 H7 Cl3 O3",219.94553,0,73.6,93.3,100,813,858,1059,90,0,129709.7184,53434.0983,1368403.708,90029.86894,19282.15742,208663.2095,103846.5688,2181313.999,293206.0637,205400.8933,84943.81728,9916425.389,94702.02321,41575.13095,4128179.555,57694.13503,0,635243.3971,4308909.002,3344283.759,93480.45104,147918.0184,2185592.375,295314.3536,115064.9127,72631.80695,75053.60936,4010851.835,34980.97768,157529.6394,247083.9937,5352018.169,176659.4558,442449.6377,148802.2491,105399.0232,99646.76888,273412.2435,3269377.489,3013103.523,0,178444.8621,78044.97638,22161530.34,73721.04706,116324.5763,1605653.212,3698238.48,325365.2295,109157.9737,3330897.26,1358343.982,178232.3727,284409.1774,69342.28638,4197210.723,175086.5389,192252.2232,954856.3952,47117.46242,0,58077.49808,92891.80128,38612.6517,141910.2812,70814.43827,2593829.639,287749.1681,167538.9956,72737.57493,3791292.488,53550.72954,318843.1836,124609.0635,4614229.643,1739674.565,83104.0703,47493.3306,214398.0921,787685.0603,250507.2761,486620.723,2667457.494,559394.586,33639.98317,92647.57639,1683081.123,0,31742.29177,106487.9122,1399369.252,4089827.246,0,117850.0392,3873650.568,46809.72131,189511.9112,145253.4638,226849.1897,74292.21634,36176.24373,2548739.681,1516011.214,1223744.718,49917.49125,215950.4757,1613132.778,43980.19936,31043.66909,69546.98693,176659.4558,171622.9668,29380.18644,14462730.01,447688.2638,65390.92464,176554.2483,6117058.784,142242.335,66412553.75,12699031.33,149433.8924,358971.5863,14100104.69,162550.9506,112402.6325,4421698.625,177652.686,130435.9127,1109632.511,107169.0047,134376.7364,58006.78407,871640.6438,411209.7891,128237.2541,176764.6633,154968.8772,672222.4857,84545.82395,8612.750294,133604.6202,43951.77417,149551.5821,237997.2166,153579.7815,69647.3708,118715.083,249024.3901,374661.7705,5387787.081,245825.3685,8082750.528,65258.5,138755,1067081.75,1197416.075,295.9593892,138755,295.9593892,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","Trichloroacetic acid, 2-methoxyethyl ester",0,"C5 H7 Cl3 O3",73.6,93.3,100,813,858,100,0,false,false,"w11n17main1",253445,1149,"UnspecifiedColumnType",90,8.5,"Trichloroacetic acid, 2-methoxyethyl ester",0,"Low","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2234485.2992766225,4672,false,0,"6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione",358.36014,29.511,2556086,121.09707,356125364,2312502,"C24 H38 O2",358.28663,0,65,70.9,49.7,831,831,2689,91,0,0,0,434696.9462,56262.50409,29477.07165,1848688.027,13951944.67,2164941.702,440514.8993,11232383.18,1407986.44,530548.2805,759056.1894,23329571.1,470421.0729,139981.9572,951948.6404,2009793.501,2362807.835,725366.1173,3176496.498,0,756827.0886,85399.63787,91521.30593,0,3669409.042,261426.7264,453146.1181,1025563.797,446650.1272,0,591453.5162,1062357.496,122916.3286,174704.3246,2384028.676,40942385.45,1589907.624,741096.603,360435.2247,2850023.753,840990.9182,1050302.081,464038.8984,804107.7162,556725.2368,537226.2719,485214.0595,746329.5029,36941.17681,0,142509.3485,2754271.353,114459.4916,766235.0903,337893.8,6845491.318,997771.1146,0,250526.7112,1295406.928,735863.703,245117.6869,2035176.098,6257798.945,229082.1051,883569.3081,1988364.87,848521.7626,782906.6108,1328656.038,1012424.055,0,243421.3172,0,488018.0247,16620.07712,2923605.854,800074.0513,0,21811337.27,152009.449,238477.1691,99373.91028,1125016.052,7691734.147,865947.893,910534.7515,2365899.023,451526.0534,0,3674264.416,2761647.462,2379755.345,1091423.57,2205812.014,824526.2134,1123110.014,194554.5361,641740.0203,206620.3367,0,79504.9041,9625929.916,372188.6497,259013.2887,982701.4078,619266.095,770960.7589,741096.603,126176.8531,237079.4076,8464124.268,186389.6981,14102403.23,6940322.635,1440202.216,2631174.062,589924.6488,226524.317,5643343.216,1713571.683,668281.0717,90071.63002,605035.8863,670573.3138,3517055.071,8015277.555,448225.8319,15168847.69,2542297.157,344661.0176,493619.1238,263833.6142,163103.5289,811619.8922,12731212.86,7296404.098,227681.4132,1643045.258,1002148.796,912685.504,886254.1655,0,954099.5138,6845572.448,85590.626,116550.005,83019.3011,167725.6422,101636.3206,506143.3575,96878.5,263642.5,677928.75,781396.4786,190.8145265,263642.5,190.8145265,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione","113568-68-6","C24 H38 O2",65,70.9,49.7,831,831,100,0,true,false,"w11n17main2",175364,2780,"UnspecifiedColumnType",91,3.4,"6,7-diheptyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione","113568-68-6","Low","113568-68-6","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2118275680.3204823,31,false,0,"Peak@4.743",300.06146,4.743,47804166,238.96771,{"v":476000000000,"d":"4.76E+11"},3089533787,0,0,0,0,0,0,0,0,925,0,160790465,32363188.41,30972923.62,3846432127,72742615140,5637874.266,0,8234855417,6707774851,3892734.651,19375233.82,17766251.75,1311764817,21933820.35,13985325.82,106717575.5,2725415506,16882696.98,19263005.29,3288501714,19264544.58,4360959.906,19427569.81,10271105199,7291194574,12260057.09,21767716.54,36471498.98,100805208,339607.0185,147756.7248,84887559.59,58700592.23,94227.72744,39012740.2,17640914.73,135183851.2,112245.1717,134545.0726,68254491.26,172606792.7,153467.2371,20597643.17,654682.2648,31898269.72,39740.99213,24112385.56,44609260.16,29761946.5,38967.00733,0,121900381.5,57030744.68,124955.2734,89737192.56,19722117.9,0,109585.7257,20252628.98,68981288.44,20942657.36,66419.72869,81148.52928,25824929,28594689.65,66523.92495,104148.3574,111426738.3,52451379.97,127519.4596,419376.7874,73236487.79,95872706.93,58109060.97,24694586.43,39343879.59,21130516.97,4294936.796,16617527.25,13807202484,0,11235297.6,0,16528148584,2363755724,9569068.661,13827972.86,17064388642,34371752.88,15419536.32,13785253.8,20485830.69,2072936831,7138168.61,18585761.35,20586591940,23221893.39,16267230.99,21850855546,36576984.87,11535445.41,15160435.95,2045475722,14410437.91,14846603563,20597643.17,33656115.81,7112375586,10131660.06,10711710.56,8180885.059,0,26119731.3,4031750.26,18930310.53,14280193.51,8167701.603,14228280.67,31472355431,0,21908197.48,8983369.84,23376204.41,20363545.66,0,14728798.79,18238302.6,12944963948,28507494.69,9211835.306,12589502537,8131950.309,20331467.44,20404929,29945137.5,9138618.613,27471196.88,26805635.11,30971640.43,8272302546,12956905.86,20790357.34,17244612.5,13605571.47,31144764.85,35522829.22,11536404.08,17380516.4,44881587.65,23943327.69,44918563.3,11705896066,5000426333,33058193.73,77446.5,135002,22187018.5,20421176.74,251.7132435,135002,251.7132435,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@4.743","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[215296229.16776466,1126,false,0,"Peak@8.852",145.10176,8.852,6817620,124.07575,5211882725,33843394,0,0,0,0,0,0,0,0,1229,0,212234.8481,0,84414.24166,17525937.86,17748414.58,85185.68385,25900933.4,16001298.43,32896255.14,38469.19046,12213789.64,15216021.38,35448553.29,21287.30936,11046239.17,8075137.877,2515523.716,81660.79491,46135.95408,14921518.73,23105227.88,176791.1433,126271888.3,14463423.75,78133945.68,9101.190354,0,37595429.1,17718017.35,35002.0411,34258481.76,7833912.848,13338606.7,61792.8211,81454926.42,4628231.237,4992220.77,132571.6613,54329530.19,34854895.77,22214319.63,32994.71351,28068590.75,90644304.83,5297589.881,64906.52661,16803089.98,19796218.37,68924121.61,115774.751,4855435.997,37592070.97,38265866.96,115081.9293,22822698.35,29146347.99,19343217.6,40440.99347,13478182,6335520.933,10759091.46,104890.3804,33745558.72,26755352.37,13199031.4,182073.5477,10339985.22,35529325.8,8999182.903,0,0,18769439.62,92203136.13,66812453.49,1354012.858,20619428.9,23525178.37,106287.3216,304282.3746,119593262.3,13338606.7,291451.1296,848881.8101,309408753.4,141392773.9,98037.94635,395908577,64006460.17,3779138.26,153030.4318,670470.2312,109845957.3,15281771.65,162766.9051,107439481,287373536.8,383369.8683,156768.2729,130109236.3,16380365.36,184108.7723,213358.384,67025811.88,0,146911133.7,0,0,299337723.2,173839.7571,747045.7349,267979.0949,39606335.58,143814362.4,431409.1654,8331700.176,801488881.3,6719419.991,0,934008732.7,5673381.251,2818466.392,2578788048,799608.3985,7096645.494,1518870023,806279274.3,12767768.87,2150687421,5505653.793,3691455.553,499265613.9,5493880.616,3680650.034,834346529,0,25696652.87,907334422.3,8703119.729,4369138.992,1585456211,0,2793952.379,952968386.5,13909444.52,8888228428,770126749.7,0,5930133.282,5106494.7,269084192.4,255874042.4,1561381998,1286791346,1833885089,40696,3656491,9461397,6487768.667,145.056565,3656491,145.056565,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@8.852","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[26766597.907589406,1332,false,0,"Peak@19.163",194.20332,19.163,44646923,460.95126,4097191141,26605137,0,0,0,0,0,0,0,0,1843,0,9787384.133,11267125.01,5595663.662,15232356.26,9734329.152,5382710.759,30346926.24,123214972.2,6514261.588,16048022.1,30692523.8,16198428.61,50871829.87,8522433.92,30800583.75,14568915.02,8252774.522,17011145.24,30084727.74,35717539.81,11030431.84,19143462.37,22267659.85,26428052.49,36439016.26,8584827.444,14361629.98,15264498.94,44242946.03,8525606.424,31745505.66,19630648.21,38526626.78,14889382.54,64300261.14,10921064.31,8002909.965,14826499.74,53240653.61,39585122.36,24256775.42,5044857.494,28233665.4,16604786.92,13376849.48,11637060.14,26333803.64,21894494.56,12689598.28,60188503.26,30904259.01,25525802.9,14443872.6,5650380.626,131751019.3,8449882.884,20200207.23,14816356.78,18393217.07,264978843.6,47102916.46,5518635.281,19450626.54,11348398.5,11095100.41,12706209.2,13899002.54,12011079.51,56723212.65,3966005.55,13487713.32,63082385.88,14437624.93,22499337.87,32686423.73,48634489.69,7574727.451,4532304.305,16604786.92,15615799.92,15568071.01,9570405.312,40571080.66,22203264.49,23114315.31,4245888.84,22337634.31,13288928.33,37758814.55,7724512.801,24995156.46,10511915.73,77523290.79,10603003.64,34174356.48,121533631.3,9817183.36,26485840.1,34324415.17,16949976.92,7763025.329,18558062.46,21859108.27,10931513.05,15886859.43,8126973.977,105499818,15243661.66,8306900.023,18197716.25,3691897.16,18674546.21,10232028.82,6173106.214,77475973.58,40873834.48,19174398.15,17049273.01,21942662.12,8343218.365,17555361.06,14516181.01,6318869.557,29438754.82,9869991.887,12396791.1,16775749.39,17998803.44,10849079.03,13363160.09,102387867.6,8422009.051,10226446.99,4324597.604,22627198.7,112386717.1,8641729.539,10213943.01,16433824.46,5771329.363,13141892.75,109146225.7,23789130.15,6872369.367,26544047.03,7357416.879,17176481.75,18288618.27,61444907.69,9978002.713,12368410.68,85188064.14,11484993.57,31648752.66,2970983,4850367,8460538.5,7874381.861,129.2223464,4850367,129.2223464,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@19.163","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[17613308.628208414,1683,false,0,"Peak@23.487",74.03677,23.487,94151220,264.24475,2797274680,18164121,0,0,0,0,0,0,0,0,2161,0,5230.606752,0,0,2291642.118,1092379.235,711518.7032,13893232.81,3730542.306,6979848.454,34854454.95,391275941.6,15726441.77,26674824.13,2935075.949,9629535.627,2583709.304,1035315.609,27454049.53,6593589.506,3346988.801,3547241.358,20455466.62,2484231.334,3344865.175,13874145.11,280846.4602,4743096.465,0,6505264.771,1513280.843,19539089.28,0,4236819.386,30272912.86,69869136.11,34964216.2,843383.7158,30220963.34,0,57908649.72,2944572.393,4822087.317,0,31371272.04,1502024.993,3930170.001,4893840.335,53014338.39,0,3579798.436,371237.0188,0,0,22090423.77,113067078,40811412.78,0,996880.0258,13040773.27,2033111.854,932957.0199,6136590.95,45765489.78,22389955.5,1210445.582,15001677.75,32205422.47,3392794.796,1352865.193,111788.1863,15527965.72,12811612.33,4357044.634,14299626.86,4852744.492,93911.50136,497449.1363,1517016.547,1164189.657,11786745.16,421328.7213,1661759.163,18462756.77,5936892.578,0,550262.4171,11452436.81,0,537793.7413,7152407.909,23376964.11,15680795.03,295918.4405,8272811.973,9256460.962,5428578.816,5485232.134,17785695.9,0,4804498.698,4236819.386,4033934.537,5775536.4,2184204.527,0,51113.72041,2319956.089,0,517045.7602,8660863.853,4922128.159,17050798.95,13458945.04,2350442.197,9597525.594,20177930.16,4679343.051,16818336.56,5417084.733,7446085.848,157874.7786,805214147.2,2361237.962,27698395.16,0,1811613.648,13718115.73,0,5883291.435,9515153.28,0,7642912.306,1893803.945,2166574.909,18040178.1,36550158.18,218791.5991,8567644.584,8167785.749,0,14618629.33,14574778.78,1663342.443,3794295.721,1564177.743,2643423.549,14135165.66,3514623.704,361978.4571,229178.7136,994018.4226,2185704.049,1667527.105,32504378.84,675230,2804149.5,6126405.5,8225369.537,495.3180502,2804149.5,495.3180502,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@23.487","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[9035053.60474834,2271,false,0,"Peak@12.401",178.17204,12.401,2123011,175.14809,1734104770,11260421,0,0,0,0,0,0,0,0,1424,0,1023332.911,582946.3841,162553.9037,1987264.142,28754123.88,1191004.511,1344466.959,3907616.469,7898174.177,3776460.539,11148622.97,8369856.68,124718.8764,5198298.558,805493.3842,302827.886,61483206.89,467288.7945,3791525.05,10532239.63,24250753.6,1919635.092,2680280.661,1194038.569,13693769.37,457624.1845,816388.6452,3112830.595,22428757.21,1512381.345,10559832.97,1718000.255,19487474.11,845492.3369,3228370.6,23812590.62,46118804,2423907.274,2818571.685,816789.3656,30440804.19,1417494.534,97288337.02,2983311.831,41496781.92,3826590.913,17838446.91,3295798.662,47607325.41,3962902.94,1980624.742,1086758.307,23376303.91,233648.7177,14441128.3,827046.3449,39578527.95,2019438.35,3160942.538,315037.4055,73500809.16,42579909.12,3627569.5,1309247.615,1533572.203,828472.522,71095922.3,776556.2667,863734.8926,3946146.779,6783688.037,1048132.204,1363566.669,5299269.175,1539131.932,7390915.595,1126895.255,3108470.985,5153683.555,1207450.735,2547653.567,1811820.623,10324626.97,4556564.514,4053061.955,1309322.756,4447991.384,981442.3299,2535104.389,2082537.841,9039378.916,7862647.125,3873724.356,6248779.346,3437792.102,3389443.649,1207735.082,18626144.6,992323.3385,1302545.822,2077002.555,20028723.66,4655450.892,21396716.67,559206.1192,2625138.101,1187205.235,1271400.356,4103524.054,3377605.339,3228370.6,3388571.652,876518.3187,5915591.111,8838544.243,45985558.87,4218597.831,3929735.329,3244601.139,9350963.585,15844000.93,4279940.593,8983984.481,3216943.023,1696267.084,1809437.998,10112826.45,511497.1,1626185.855,5746660.833,3147199.644,4787155.205,4750265.541,1174187.034,1164754.603,3239798.178,1702275.351,2551687.248,10009106.23,1257216.17,10340857.53,19385436.02,0,3078022.394,9564814.06,66960692.85,1315828.732,12333940.31,2533178.499,1516420.843,0,0,2522969.923,0,194713,462809,1163191,1685110.014,195.9077288,462809,195.9077288,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@12.401","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[9562492.006426616,2450,false,0,"Peak@21.718",163.14867,21.718,15380610,70.04136,1525252247,9904235,0,0,0,0,0,0,0,0,2025,0,15848.28678,9912.598847,11429.16711,4936412.296,1406185.546,5528116.887,2288207.235,5845522.477,6682281.068,7944900.672,251085866.7,4803487.335,6392728.422,1088133.475,20347506.36,3626665.652,271510.1674,1543987.426,6911191.921,2765989.628,33608119.56,2968647.224,4452917.749,4748449.163,2987112.039,442181.1166,1184808.318,39364292.32,3668203.907,2592918.921,9184847.86,5263793.248,2829368.286,10038328.93,2358585.119,7754177.643,659101.0124,4600683.456,6973783.236,33943953.91,3231632.703,2148205.904,9720477.788,17570676.51,3432264.631,3984289.359,41077151.48,4311890.321,49102756.28,2655570.107,38200196.13,6223784.226,6514435.231,1288206.959,8326976.808,5374275.007,1965265.773,3202468.738,7827756.22,13387147.93,1460369.576,3057970.169,2765534.152,13444523.33,2376339.538,2063521.594,19157972.53,4205427.086,2886022.483,1025540.576,11275828.08,4889476.591,3554321.04,6703910.817,5261989.713,793434.5132,20272746.09,1477538.525,1751512.618,2991592.532,3583237.271,3411409.182,7620002.801,1808817.212,3005731.87,1384798.179,52629549.59,6825834.756,2117335.85,9807970.213,4690589.078,3320680.907,2627088.972,5458469.952,8696388.601,3253435.93,16623422.41,17751878.68,18560950.44,1155949.997,5313570.018,5960366.743,2767844.794,9665301.724,5140148.04,864429.4139,4532818.062,7721466.689,762454.7955,28789169.2,2148898.28,18548151.34,3131080.099,13053944,4278653.256,35354099.22,52198599.71,5057720.503,10972516.35,1517108.816,5022278.16,5195216.75,4055609.458,6532677.319,4857587,73082.16192,5029259.053,11455089.86,14238940.06,0,145594.2674,4657106.406,1010827.392,546412.9408,2305692.329,32650739.62,249144.5697,6601093.293,9014542.389,5761190.904,821099.7192,1820739.753,4029143.206,4544260.505,2161571.474,11291798.55,3090876.19,1382685.817,543523.5819,801078.7835,4477805.25,16143501.1,12550285.61,14709990.61,772844.5,1571313.5,2856529,3426089.82,267.9691454,1571313.5,267.9691454,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@21.718","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6595250.016733116,3056,false,0,"Peak@16.393",89.03921,16.393,1211099,194.10922,1004225848,6520947,0,0,0,0,0,0,0,0,1661,0,180955.431,386448.5872,155388.4387,7498099.522,834365.2298,2585675.771,6777223.986,4340140.049,982710.4442,8974646.328,6027523.892,8600001.796,1737163.564,3714541.75,9050918.935,4883786.025,20255668.39,3603548.141,5196402.079,8161647.293,399336.3493,4400188.099,5252235.182,13665194.96,1391851.777,4003721.501,7066037.546,5206544.66,2250597.143,4314318.447,16195362.14,4501781.136,4313159.061,7261391.652,6350457.817,8365942.94,2365447.919,5018767.076,17508431.14,1720557.376,5706182.75,2970303.863,21262909.31,4598897.601,7649528.303,5040094.052,7038935.41,509591.3927,7246247.089,4801897.754,39606308.16,4077078.268,2175451.624,3655859.505,60883988.25,17158049.9,949506.7763,4616348.979,12753235.97,7582554.845,8276402.93,3626218.756,9172539.002,5278290.35,13633269.23,2821637.307,7655528.557,1026752.072,2878758.907,2364008.828,6379433.567,806693.1352,4759509.195,3683218.091,5589903.651,3901651.165,6867149.197,1693175.202,7879474.886,817878.4001,4591090.519,7740502.822,19732588.19,900837.1291,5991483.689,5040094.052,5302761.816,6649732.554,5505788.981,3073090.272,13032183.54,4729056.117,11550754.89,3731966.932,13782299.86,6504004.212,3531849.552,9446891.63,2302356.346,9753405.449,5240998.669,15714485.89,3126393.123,4879647.386,7111959.659,4157114.225,12222297.08,8465766.396,3465522.429,5266628.681,2166483.4,4942566.475,3858373.116,4211662.704,8434616.683,6900334.775,4129525.445,4636613.928,6854632.812,7682753.827,7462376.29,4897424.289,3370961.88,3619513.672,6089392.598,2473584.166,8214347.416,9011009.986,3380441.518,9761742.022,9907413.27,2703862.391,8719378.77,5371947.567,5175281.157,5180766.836,2195366.398,3213946.343,4654791.255,4564409.879,5691307.928,5769382.617,6137428.381,3275563.994,4253314.126,9064423.178,3185868.328,9407506.696,2695802.292,2838490.1,14363950.16,2024744.933,4904906.947,1771140.542,311062.5,489678,752491.5,645674.596,106.0958458,489678,106.0958458,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@16.393","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[{"$error":"#DIV/0!"},3284,false,0,"Peak@19.851",84.05752,19.851,25376051,119.08553,862716244,5602054,0,0,0,0,0,0,0,0,1890,0,0,688904.7876,406621.8502,{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},{"$error":"#DIV/0!"},903801,1687707,2537625.5,2373492.114,134.2178342,1687707,134.2178342,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@19.851","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4705877.694213245,3506,false,0,"Peak@18.671",77.03909,18.671,769924,120.09344,759685779,4933025,0,0,0,0,0,0,0,0,1809,0,125865.3827,258116.7924,80254.82407,3971348.754,917652.6819,1270310.353,21685517.75,10400773.85,2847290.453,3397572.764,8534060.004,4174933.168,1733023.084,1578459.961,17061990.15,3881170.129,1156759.033,2988969.663,2494981.706,4014617.17,18452665.5,2426229.512,2964865.804,5732490.961,1057643.377,951114.3856,1477810.088,11183143.87,1267665.966,973240.5197,2976917.733,1149839.054,17482063.51,1736248.222,1570167.22,1035313.6,3700724.715,1544170.149,4140726.34,3311076.323,9669780.056,1203663.945,8743399.289,3307864.33,7630190.487,1210725.093,8796700.113,3330738.995,3895368.746,1231450.329,38469170.9,4045515.659,1571102.608,2567398.24,51468178.87,2146297.608,2639570.683,2398562.019,5503510.831,1940727.441,2070660.448,1648395.744,3768347.447,3314264.784,13294807.44,2222616.101,5564803.329,1805954.829,7176746.215,2298250.206,3718240.425,2352353.568,7202232.787,3632203.566,5494190.721,667972.6115,3535017.361,1073018.571,1337706.769,2110313.363,3371549.582,0,5985671.068,1331226.471,4852619.997,1551231.042,3439355.396,2587366.682,2976917.733,1637126.926,5572842.667,2027192.142,5018129.222,1596182.4,5828205.93,4188133.968,4211791.616,4746221.426,4898319.783,3691956.166,1556415.28,0,3092078.396,3896283.285,7564615.268,2251459.105,510562.2362,1977214.751,1677386.913,2997070.545,2469534.798,3324587.202,832879.4434,2022601.17,3864624.14,4949635.543,16741271.52,4764135.395,2497042.986,3146148.001,583131.9008,787362.2522,2930103.983,4176262.155,1361617.001,890719.3473,7490702.738,5007607.463,2063352.947,5371882.287,3335848.63,1840213.085,5044721.014,847712.1902,2665100.412,9071770.585,457396.7394,1717658.413,3929480.262,2345734.572,6041366.54,45243402.92,2310581.637,1696544.313,2511637.377,3023731.484,2019716.746,5734422.834,1704736.572,1616964.464,6073791.661,8812763.501,7082862.26,1847485.295,649888,1090149,1821357,1856726.443,140.6604408,1090149,140.6604408,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@18.671","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4520026.412158807,3617,false,0,"Peak@15.379",196.12506,15.379,14129902,181.101,702612510,4562419,0,0,0,0,0,0,0,0,1598,0,254869.2088,1004623.169,114666.9328,5270121.616,2850453.305,1334009.96,4038127.815,4641210.597,2536822.289,7579376.313,245729.2922,7681666.566,2923670.397,4218738.325,6890258.106,228884.2771,1435327.62,1484705.132,7012186.631,2443152.01,3339248.311,5173741.339,4654707.534,5154909.877,4041478.84,3899002.078,1850445.026,10718139.72,2585344.367,2891608.476,9329533.881,1329982.299,3339118.056,5209428.307,1160608.683,5612828.388,3442761.579,3426392.071,4486024.464,3968564.946,9047620.853,2486176.582,8973410.818,13542128.13,8276137.81,3889119.16,5926797.407,0,4636082.759,3439978.515,6670882.334,4856260.619,4966000.142,3246847.644,17561035.98,4288923.386,117397.0566,4100915.122,8814835.918,1520777.073,4155211.477,3242186.01,8902805.007,1759898.116,3082405.278,3835715.742,6208981.046,2875107.018,1898164.415,2608994.339,6019506.833,3836214.77,5344132.079,3059544.503,5001111.962,3299386.326,6944645.089,51576.17368,9985928.66,4265955.1,3762621.712,6703013.856,6947371.256,1998676.49,1527830.741,4543856.786,6021258.365,2119702.362,4373393.085,3720801.404,3258486.669,4170636.791,9762354.366,2562041.909,9664124.687,5905978.289,3305525.793,8221398.3,961503.8477,1643516.119,5096962.621,11172474.12,2402065.942,4553704.805,3703046.875,3546252.479,1696122.098,7341939.81,3326240.007,5623374.033,2044266.191,1405077.193,2645291.54,6088939.232,9329448.338,1954926.156,0,5092026.14,3418823.756,6523492.306,4434190.312,3676754.218,3330663.844,3933228.092,3806768.645,4322757.214,7414654.083,2577982.833,3331440.452,9253736.819,265951.8316,3491843.989,10100680.85,3184988.42,5370336.894,4165885.99,467925.9621,1596114.205,6409717.455,3804191.881,4818211.601,6960698.713,4111550.873,4003901.8,5836558.136,5218274.436,0,12117532.84,3602582.792,3533606.647,4909602.011,3304414.257,8757895.918,1103672.007,2949224.25,4149752,6388273.75,4941396.797,62.36131098,4149752,62.36131098,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@15.379","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3733120.1308227833,4045,false,0,"Peak@10.510",138.12834,10.51,326847,133.076,542505875,3522765,0,0,0,0,0,0,0,0,1319,0,69738.22034,147980.4566,52941.79709,96562.05223,122483.1668,3875380.169,5748017.558,2771060.164,1670558.213,4137617.99,1283352.02,3953490.608,114666.5693,18773523.39,2524080.675,3554427.623,131118.9103,3558995.403,2457618.771,1015074.732,2590278.786,5093603.133,4226766.076,1988012.034,82303.35666,3356902.343,4943866.003,3021469.009,2477635.903,2873989.923,32350418.93,7471900.238,3112744.368,1708262.275,4592601.831,2582074.265,1847835.922,2898202.717,6487106.577,2680669.475,405303.3335,1587401.987,2096978.19,1828205.991,2518690.72,2871685.762,949595.2916,2603637.58,3246447.489,2599830.821,11636762.73,6074163.13,2753767.335,1009716.618,7261559.326,2182556.881,2538737.557,2129447.395,4904689.939,1586145.455,111356.3597,2875410.042,5155137.612,6799078.684,3029982.944,5148808.442,3802604.47,1640018.607,2607571.616,2051252.645,4457505.754,2226583.372,2665949.46,3601377.98,4835531.55,1874256.002,2932100.029,1522708.185,3380590.981,2216942.713,4061732.233,2433616.573,4474236.518,1853650.626,2247797.874,3150255.148,4415660.645,3891969.328,2236251.987,2497350.402,4541673.496,1916511.57,3997522.284,9064765.122,4338595.481,1502803.762,3945043.381,3494806.659,2367965.041,22838189.28,1915519.656,3965979.395,1732822.182,2307656.624,14013613.01,2068830.001,5120488.822,3139251.507,2551046.055,607236.9901,1820811.634,3376411.713,2680669.475,2438192.606,2791451.014,7103751.365,1635570.499,3968995.169,1697282.691,5610693.972,3263484.91,1994102.027,2564274.616,1508060.579,2241156.789,4562822.668,4710176.62,2340170.954,16541390.88,4625273.003,1691308.882,3438579.307,6607341.582,1881646.792,10368661.06,4774549.56,1621528.615,2916231.521,5539265.757,2183427.136,3085558.103,4344521.153,2569887.937,1648839.908,9038458.625,1910262.71,3585040.621,6314779.443,1588226.347,1935857.391,35585.36136,2197537.684,2336445.906,25251.35869,138915.5,202689,299081.5,271517.3775,108.1410104,202689,108.1410104,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@10.510","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3263532.4224383454,4294,false,0,"Peak@34.718",171.11732,34.718,2210148,289.28918,461444544,2996393,0,0,0,0,0,0,0,0,0,0,41917.28746,250825.8513,93302.62995,2403356.05,72787.87336,790473.5281,0,138068.4294,5920598.296,3591300.917,25619216.99,3204065.373,4284286.11,234729.1447,21905326.81,731621.7133,813054.2145,1636125.305,12139802.01,1390978.823,4186450.708,1271529.181,956595.617,2731600.953,2501805.493,157739.0959,381842.6634,13756714.95,4782012.482,81724.08904,1893063.673,4333700.225,26836.20992,835201.421,5542816.489,983990.595,65657.41354,895827.3985,6357739.527,3662325.753,621529.3354,74674.4253,16735517.29,20658595.81,1513552.064,134384.5684,39631287.75,3755798.542,410770.8259,1786571.667,4899509,1368438.769,2063654.708,1156488.232,4508244.008,2253044.628,1413715.181,29623.41833,2195704.26,0,381098.6374,964189.8387,2394362.72,2513011.571,436195.5797,73228.34526,25613077.41,1613388.947,98032.38834,98513.43913,6405432.973,110940.9541,827447.8644,1756502.912,11254440.94,258236.7738,225332.8523,128134.8885,2349264.462,2237520.164,575244.263,1503994.033,5298717.852,2181553.599,2233324.953,77131.44982,15406635.73,967136.105,1300414.591,808470.2798,3582624.921,2038101.313,478789.0372,1945372.366,1513552.064,5319432.688,148752.1616,5461169.753,7062072.208,924608.0618,472733.8344,1801872.873,1107872.361,1772311.272,4781237.202,0,0,4356696.362,113981.9536,1635861.495,98419.07535,14702762.47,16293628.52,357983.9653,1948068.618,9249350.737,9224595.203,2093199.158,835211.3886,3054559.674,776194.9756,1143803.274,1628413.189,191808.2217,6312791.359,105967.3494,3394061.82,2030181.522,700910.1754,3108361.485,3405645.849,2002081.876,1025539.483,275804.6277,1922571.394,134886.758,346261.9361,1554354.779,138627.7389,1429305.175,1472749.348,3053034.004,928348.8001,5226778.107,1264022.134,1762112.592,2294119.107,530692.2929,270632.3151,217699.0623,103732.5199,3098059.149,1855058.075,1130918.035,151170,480921,953945.5,990156.4422,198.0605449,480921,198.0605449,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@34.718","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[3146551.135086359,4438,false,0,"Peak@19.528",106.07832,19.528,220280,107.08112,418546756,2717836,0,0,0,0,0,0,0,0,1868,0,98059.62716,130744.5487,66813.97019,12889209.63,48387.38368,556566.7429,907834.0861,2081760.484,4102682.098,192152.4191,345007.8976,183699.2568,206056.1706,4031720.268,1244986.272,135511.0234,208577.7192,3012628.595,751724.7988,1237608.521,157552.3606,434843.0446,1019851.507,795427.5558,43926.41802,3548814.607,487623.9893,3227187.146,161500.0139,630551.0184,1842948.787,303385.3924,347135.767,12759436.23,1922056.513,205582.7089,654145.7708,1280446.179,1747503.261,239340.2847,2215364.094,535360.5283,3943275.904,129597.25,473935.3424,6120028.998,308091.0616,395361.9252,127270.5364,792329.9075,10443164.64,1030785.118,145107.8866,826879.1032,130108224.2,589460.8748,76053.75657,1332843.981,1877765.226,0,46455.51625,193776.4735,1901109.961,0,2619087.015,718830.6669,2437349.646,257228.373,28219465.63,456935.8761,1754724.816,380344.6595,0,1018578.399,877397.9213,58590.91564,985313.2231,146923.5067,654145.7708,16390155.51,885120.0292,0,977554.123,644393.7196,808458.4562,330501.5938,15475085.72,406469.5642,914477.9112,622078.215,2291329.749,181053.374,1934979.901,429645.1359,2254351.487,206947.8675,326131.898,1199825.982,60264.80968,0,100738.8279,1326033.894,549518.1449,1255124.598,0,854555.2788,9073208.581,7747923.778,440807.5122,6269842.967,60324.9219,1614873.097,368973.4128,4568463.766,2194624.87,0,3908600.585,1545026.619,152171.4825,2017115.015,11756875.96,139913.753,701589.2023,306473.943,167954.2304,492655.0977,288449.6764,608231.485,555233.3861,2008130.517,13301982.41,1039131.208,1419010.282,3994705.608,1147025.02,210893.1305,277776.3629,700060.0567,1434295.597,428664.3456,560999.9231,280846.9364,192549.5243,1020228.758,366208.8802,0,47998879.77,571071.4043,1237146.353,904910.2985,1104417.742,326371.2594,20894411.46,162844.796,59794.5,147352,327727.5,601522.8671,324.5506225,147352,324.5506225,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@19.528","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1681659.8983491128,4939,false,0,"Peak@21.292",475.0036,21.292,378451,167.08151,291357353,1891931,0,0,0,0,0,0,0,0,1993,0,0,0,234783.0814,1128620.046,86134.4672,27990.03957,68712.39038,152653.6236,26036.14252,24338.08837,339047.5625,168732.5252,939376.7594,111070.8979,2041385.016,175316.3536,3875557.908,224019.3526,0,121673.9359,105658.995,21445.41289,128429.014,173572.9079,439750.6328,23727.36659,9953.11447,2913272.091,19159.97485,7528.622296,125051.4749,15365.18994,239510.9128,0,114270.1798,41319.20912,122719.4304,179217.7792,437346.5547,2999487.166,229778.5566,61887.3924,156635.12,68793.70846,226205.1074,159294.3565,329347.5219,170050.6197,131738.3064,26631.43017,20435985.99,1820921.843,2068654.199,30715.87608,0,2596358.99,44595.26577,124366.6366,363677.2371,29497.21509,125736.3132,36057.61487,5005869.507,144251.5314,78117.22291,26041.41563,43664.58807,454230.4213,113612.9192,0,60887.3935,548544.9481,129144.9132,1348209.123,21158.41225,20959.59342,116283.0067,29880.42746,5200474.622,814949.1274,47842.87334,125051.4749,1206986.43,120398.7425,205719.8959,22841.86896,30863.37293,98105.0189,1513566.937,96317.50748,2565660.485,667579.7734,765710.806,133964.8765,78106.07351,12110951.05,66788.26469,97323099.71,703207.366,52460.3015,16258.54986,129808.2621,97874.61202,95312.26456,1569814.087,2265390.154,5712858.64,2972022.035,19920.90435,0,161704.7497,0,11362.4037,0,119427.4125,37399.26903,298392.3131,28793.4839,139889.2284,68978.67774,0,1082538.774,105027.8734,54112.95314,11624.80271,17830.66466,130675.5373,239212.8555,50279.04323,140547.4824,214922.724,3120657.216,0,376483.9859,25476.10758,1161902.201,872419.6259,488331.2215,0,109232.867,33817.09932,0,237670.7137,464634.0779,275140.843,1785009.528,331502.6752,75052.143,20842.22327,94044.54204,24810.39462,45749437.17,164390.0758,3771927.744,21098.5,62413.5,222143.25,895174.3643,548.8171083,62413.5,548.8171083,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@21.292","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1720189.7034182777,5069,false,0,"Peak@20.550",193.10155,20.55,11995927,208.12453,262228358,1702782,0,0,0,0,0,0,0,0,1940,0,10435.94292,33164.65874,7460.477589,1253293.991,433547.2,1209829.017,1765944.529,4190075.569,2667662.165,1396880.979,3896373.796,1283858.247,1178619.188,127326.5337,3429388.698,1099103.359,721748.5718,257997.4706,1063366.855,1517411.366,3182134.414,1716025.363,1644762.435,2668985.512,822319.8804,82300.5322,921575.5091,5584766.726,1268576.119,34799.76198,1381083.675,1548939.65,1170231.257,593362.4649,613749.6031,420307.2678,717011.453,53170.45907,2529384.009,7729784.066,3015422.838,208767.9682,2515325.027,3621343.005,1517757.921,117603.0651,2856385.05,1837879.319,779516.7046,701141.1649,6567827.764,2494542.767,1628887.64,415457.7108,17563744.68,1593165.496,2042459.536,689878.982,4850167.709,908213.3525,552836.7228,554839.6695,2245626.856,1166105.921,977935.8109,677571.4015,1752641.344,782163.874,1108322.079,488270.9737,1371046.317,4155449.737,4547474.878,741675.5812,1368166.489,262882.7519,1763090.943,15143.83702,1115452.933,1834172.45,1507305.701,1918088.709,2138040.572,775820.5975,1173600.372,514314.0744,1145446.207,2247700.822,1193802.204,706539.1836,258227.3388,1986745.855,1434062.309,1055461.063,1268576.119,2748431.731,758115.8399,2300751.249,1381492.498,1289184.081,482167.7821,448106.1198,1288263.639,1366925.045,1910123.963,0,3220600.573,2790947.624,33751.30137,193296.2976,628273.2658,1631290.435,682880.8177,515152.9355,2399657.921,2136719.332,2203641.092,7022304.181,1092448.777,2350206.42,1894480.298,706952.7445,926059.8205,321568.6724,877598.4029,1588735.404,9322879.084,883198.6328,750869.8751,1069393.656,5561146.889,1440051.604,55104.41867,606822.5648,2321443.498,40279.50575,377803.6746,548813.7541,407918.9056,1671724.621,1245049.006,1599898.544,3398288.028,490692.9826,1766952.679,3072982.942,851030.7891,2245411.211,503629.9309,475547.5548,1292103.232,2738220.471,2179016.325,736455.4847,380476.25,727850,1117439.25,1001551.827,123.657939,727850,123.657939,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@20.550","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1544872.028298013,5184,false,0,"Peak@14.415",122.09645,14.415,451428,68.04948,238525158,1548865,0,0,0,0,0,0,0,0,1540,0,0,0,5011.475075,3275713.041,429581.6056,197505.5231,905421.0115,561173.653,1357995.761,577314.9193,14964192.46,796330.9449,462573.4266,648716.6086,336803.6447,309936.1088,99661.87086,670411.6787,252402.9125,813735.202,423756.2894,982172.1075,235761.331,742733.1547,1075558.684,330139.3853,15513041.28,1072642.157,514543.6715,154537.352,613015.764,144798.0959,127670.3039,1179154.024,844974.3345,3545016.842,115007.3153,459450.3819,637631.8314,935844.7225,443961.4446,7256684.479,668402.4047,273229.157,0,3740797.401,586251.9988,1263599.524,353640.5988,718968.1295,87691.98881,1115358.391,1367440.132,512977.7715,826230.4568,1763114.051,959126.5823,1168235.031,639779.5291,261034.2078,393012.1782,513468.6663,1100849.723,431445.6031,179067.5066,319327.0537,376947.192,1487363.909,130608.9194,175156.7115,699541.4232,751065.3755,941862.2196,1618786.627,103722.0438,214633.6442,293745.2826,175066.461,641938.7669,854996.6178,61830.94444,0,1421325.719,900613.1802,514030.5698,62433.23079,510036.1612,956640.9631,417852.2573,797446.0732,1364841.487,3717114.406,340619.4493,45857325.44,533809.4264,608614.1492,448275.2942,1055684.871,887164.0123,0,235577.2998,340414.8992,987240.1402,2583965.662,2671469.535,733728.7225,483069.642,2469582.392,613015.764,1127760.365,251729.1805,188712.6031,1056592.088,544997.1795,363360.9176,0,1190515.883,253906.7194,680893.9554,273874.9172,401245.1272,918073.2207,1552260.704,476889.5602,8855783.51,0,1788368.985,1134818.271,409043.4342,0,2324081.466,944554.9716,208121.5935,711067.5034,1435771.356,700571.4268,446754.4906,998610.8348,240268.2329,30940296.07,228222.3283,1301000.45,403092.0946,228446.7862,681182.544,312441.0511,1406151.47,614349.6849,222108.524,437271.6809,124300.4817,2179637.495,611681.843,817094.9785,187700,326042,557868,862286.6414,299.8982487,326042,299.8982487,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@14.415","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[965321.3019684763,5660,false,0,"Peak@9.305",112.12526,9.305,339544,112.12471,152296458,988938,0,0,0,0,0,0,0,0,1254,0,118801.1841,143065.4214,118570.3066,1074313.412,615515.3144,282131.0624,1475103.431,1361441.946,778163.0943,1394206.969,817106.7408,0,433545.5018,408382.59,1880312.75,331222.3062,1251348.721,268510.6132,1312087.376,2311896.663,696220.9604,0,4076870.656,0,429242.6,1956118.24,2985940.983,826832.1271,120598.0303,0,1797042.242,1320222.425,81105.11887,687995.4874,1201433.019,1561192.902,0,482340.6725,3965744.878,0,1050220.957,635375.2098,985696.2123,978428.076,797634.9175,345031.6673,2896498.086,541125.4015,419885.5329,349373.1589,2237863.994,917040.8641,150882.7673,245715.2603,365311.2079,1169466.737,524019.8106,1001266.349,1632532.046,0,1152699.843,0,1759981.366,713321.3166,656042.9203,3543883.573,2946316.881,881948.5185,406378.945,908212.705,2078921.332,577363.26,744149.216,1105152.197,397053.2642,1955414.357,967823.7077,475493.9833,2809931.486,928610.813,163358.4459,797634.9175,1347055.87,891749.3484,442417.2012,705540.9747,945760.0782,1374740.536,227207.8575,3446365.302,577150.4081,1505940.378,1966014.454,733043.9968,268866.737,1067999.603,57964.61587,2206096.702,1144317.814,436231.3229,1857462.99,1168382.025,316788.6317,795728.8907,1401300.498,497960.715,1902525.844,753261.3183,331882.5729,528024.1831,1060467.562,555238.564,837121.5236,410410.3819,503212.9438,1066608.1,1257993.316,744207.2933,850143.7095,900645.6468,790864.7114,1284183.94,947107.8456,1109772.394,1110035.289,444324.3844,817635.7879,585533.0278,712425.5876,528203.62,1515958.732,790245.2154,559095.1256,888680.0038,355283.5498,319995.705,941985.2906,455186.3875,236819.2589,1144292.376,0,2041772.867,883807.3295,1819267.089,845302.2703,910367.5691,1431652.616,356405.4102,587459.1918,483363.0431,403815.0734,458398.3961,804405.1237,718792.3404,200823.25,337984.5,551868,435573.6056,80.16587382,337984.5,80.16587382,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@9.305","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[656338.6552186289,5856,false,0,"Peak@15.036",400.98498,15.036,90444,113.03452,111190702,722018,0,0,0,0,0,0,0,0,1577,0,0,4754.736726,4444.331343,49761.66916,125532.9748,17338.90733,83837.45614,3751614.557,379032.5447,20410.26887,278741.366,22644.91399,216518.2341,33139.58292,33813.03761,44088.32358,13017.57306,19693.44778,39085.88173,145111.6292,61057.34102,29267.21845,0,76753.42706,1741566.586,0,20736.79236,94042.97868,119194.8132,13705.89005,70361.00658,35074.04728,212124.4929,139893.452,0,11048.33772,41587.10265,31498.15158,70309.70248,237627.7606,0,14549.84248,129145.2432,17222.78604,68978.36111,19162.08098,15466.40626,405058.6175,43927.81099,13583.60299,43119.85075,205243.8358,0,27070.32387,228270.7025,30004.20663,28103993.83,2302611.729,27326.23888,6163.895745,12084.67223,20303.19989,14921.67288,10479734.17,40054.35456,10030.04032,2380239.891,374314.0853,44922.22359,3102.05548,70687.38092,203563.9366,103518.8252,145649.9971,6692015.321,5947541.371,0,38346.47198,0,232052.9408,75042.89806,42594.96852,100950.1051,2520149.285,3561221.214,8190.768359,41587.10265,180627.997,11886.27655,0,171497.743,0,0,36140.46467,124734.5505,42939.84298,26287.7582,58259.99883,161077.1829,28600.7955,21343.56662,79463.83184,79517.34684,35355.57798,865530.8307,12156.82462,0,0,12477.91463,0,0,37285.0911,413117.977,12341.15407,49027.44664,91500.77112,7486.070418,27936.67349,51847.24338,9950.942935,37654.62936,110004.7346,5861.6933,7298.809786,375348.6965,0,0,10722898.77,38142.37799,13382.60291,31433.65694,45101.50569,40480.95845,4604412.346,0,118485.8993,161928.1887,0,3970750.671,102492.5348,30580.09685,128639.345,89780.58624,0,88169.27382,79479.07398,42693.24686,26643.26866,2061467.387,0,37210.42972,0,148517.2789,196937.2173,11577.75,23700,58729.5,355426.6,431.419553,23700,431.419553,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@15.036","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[446444.2805665564,5999,false,0,"Peak@15.678",150.04494,15.678,69565,181.1949,69866035,453676,0,0,0,0,0,0,0,0,1616,0,17277.57189,52373.27212,1451.119473,378364.467,69042.90338,90918.31498,136382.9304,291131.0392,184211.6123,0,0,621623.1608,61147.60762,160382.2592,447427.6427,216321.4355,0,124063.5868,763835.1679,204836.3766,291963.7644,190499.1557,205951.3551,4776452.771,2267420.407,216620.8423,197343.4087,0,2009616.845,119662.2531,281100.2913,2328125.347,5046439.926,0,403987.0572,0,0,201089.8927,337237.7093,257277.5127,407775.3772,143863.4775,0,596932.6413,0,68904.17212,179467.3776,639794.8074,2285057.489,23826.77647,951213.2529,334619.2586,78764.26668,168230.1636,1077189.216,232436.5979,66743.76172,111642.4064,408268.7017,17838.28207,151265.5524,134662.46,405025.0733,166974.8895,464889.9329,163118.6874,164658.4904,1313629.302,1614536.918,222712.4078,265930.6588,105071.4648,148092.2345,262062.9266,380840.8133,128010.7066,201254.6612,111493.3826,311201.532,296658.5398,366598.4515,1060658.489,3213258.365,1995855.847,201089.8927,183138.7932,150115.7078,221518.3017,298022.939,136757.8929,632393.2411,252358.9265,349297.7542,125351.2845,551058.2837,158637.4214,232598.2637,359735.9861,143100.0366,135101.5354,255853.754,463728.0638,145797.0375,189347.9658,113554.4348,164378.3044,380927.5336,99806.37855,167242.9646,51951.23339,87425.61221,181138.4453,85705.65985,236492.0046,493407.0022,447158.236,1153535.793,157262.2195,254123.7858,383264.2148,671315.4189,139071.0143,189362.6671,260386.1563,252799.9456,130992.3779,555056.5613,129475.8494,164851.9985,438483.6931,61160.70163,98089.06227,494423.9684,90745.49611,1494893.866,229966.3791,55437.14473,111477.3325,431332.8152,225034.9853,179353.5791,4666308.185,148355.7369,135866.6788,128066.37,285553.3925,65781.65313,378982.252,173861.9619,212817.1182,189248.4814,163752.9614,414583.2042,82313.59774,45968,72882,131770.5,170034.2958,198.9183561,72882,198.9183561,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","Peak@15.678","NA","Low","NA","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2754051.2662185435,4398,false,0,"1-butylcyclonona-1,2-diene",178.17216,23.839,3030109,217.19513,426856168,2771793,"C13 H22",178.1716,178.17162,82,78.6,96.1,529,673,2189,0,17500.59413,14397.30406,0,1810165.778,906275.901,1476182.734,6035054.304,3015198.441,2653322.141,3302049.214,21927250.75,2983649.23,1116761.837,810506.1424,10934665.8,1994459.745,278501.1969,446382.5763,2271675.928,310279.6595,2989510.222,2047670.194,1318708.16,0,1116982.039,338797.3229,505040.7617,23299142.84,818305.1938,1133839.718,6532397.757,0,1643174.256,387398.0621,1977621.376,1375152.04,603544.08,6530067.945,8128261.67,0,4466337.273,1146837.62,9835054.957,2513954.33,0,2368633.172,7200230.973,3200358.316,1789562.751,1219556.249,0,1661182.972,811175.8388,320562.9855,10783071.48,2577928.499,2587495.629,769292.0385,10792795.34,2932959.512,296577.4841,890020.9621,1625165.54,1102951.948,1800205.56,833056.2866,1007180.911,2989336.482,3343074.543,282408.4427,1664851.678,1252681.459,3899597.52,2438277.685,3913182.253,289543.2883,1570664.809,927022.7587,1636895.049,3544486.434,1725722.97,4909612.176,3049315.442,1845578.384,3010170.697,836137.5342,3453032.069,3949140.744,1162992.188,1332017.62,1643174.256,2300596.973,1739671.58,2078076.989,3486126.196,0,1988306.721,1459253.202,901887.27,2228278.795,1484719.912,3307518.676,2505702.187,0,5256190.818,1234158.09,950091.6138,624253.9488,497559.5166,3447793.177,1290922.868,0,542335.0214,1356882.533,0,1751217.176,50995779.75,5918683.72,4244371.388,3017697.922,3405031.34,2763519.693,761838.3083,4091528.104,1745816.688,627650.3945,2897622.336,2415770.905,1600230.902,0,5240960.381,2147305.069,3797694.187,441641.4827,4261818.754,732344.0645,494509.4174,799063.7771,3004277.236,1057301.847,1256712.496,1506698.241,2029441.788,0,849733.6184,1376072.754,1858786.369,1181820.992,592765.1373,1031441.089,568718.7541,1686117.61,893937.086,1916434.209,226602,382644,741959.5,683766.6143,172.5590134,382644,172.5590134,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"1-butylcyclonona-1,2-diene",0,"C13 H22",82,78.6,96.1,529,673,100,0.07,true,true,"w11n17main1",128408,0,"None",0,0,"1-butylcyclonona-1,2-diene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[33640799.631738804,1201,false,0,"Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-",154.07413,17.985,1179854,195.08047,4774591871,31003843,"C7 H10 N2 O2",154.07368,154.07358,83.9,80.5,94.8,585,702,1763,32,559563.105,1227580.052,388404.7718,13324857.59,5014540.38,33656718.73,1758902.237,23190369.76,10616860.74,0,16992105.94,18428531.77,11608248.82,586821.2466,15155569.96,10798464.92,8607985.182,767034.7918,8139387.249,12108651.1,12821968.3,4946451.269,0,155789256.1,8508172.413,648170.7405,9571171.288,25888645.33,27614886.08,70042.98126,10743239.69,23086808.03,9650423.583,93621117.19,7686253.118,4494276.413,4615013.985,268563.6781,16524555.88,140150748.3,12226994,200413.4314,27224636.5,9043261.115,10094016.01,561500.7398,15056021.48,11609512.03,4642624.876,673313.9826,53921746.92,111184208.1,10052722.57,3926494.259,59586706.34,21046261.18,13576047.96,498125.7722,26201608.7,6748757.878,10135309.46,699354.0817,1084652.296,21097311.62,13101645.32,1440799.673,20823098.94,138384535.5,9192292.304,427273.8761,1385282.645,5062368.619,74241298.84,13105241.94,3759312.119,9361919.014,21447489.76,62435153.45,2331248.049,22689107.46,74873257.72,668885.6895,3744749.611,218906295.8,21371489.66,1939512.724,1635538.039,53743019.84,18051199.25,1793257.843,3797665.627,278094369.8,73135666.44,790334.1797,3530579.203,10094016.01,2930932.905,3994908.566,13564173.02,19843711.61,1739069.375,2047889.66,24946013.45,16401934.15,22104653.47,31830892.24,1702361.058,425976909.9,1064374.106,3005506.314,9679505.081,498454.2173,419926130,1136878.173,2926514.192,151973806.8,8951473.892,7869886.138,16828723.64,9043382.715,6209322.799,12688712.99,20515894.71,6991411.427,17374540.23,3237967.829,8856769.623,588973668.6,2069971.235,5194598.486,43419168.82,1983676.033,12800326.3,19986532.62,194379251.3,3669989.296,301101576.3,2037357.694,4715758.973,41347674.86,1756494.877,0,26411218.42,3886761.391,11685465.92,50852556.23,2397788.461,5089871.518,1752676.706,11144649.31,26973353.15,30112093.99,46837454.3,19413784.29,232517.75,1176333,3066948.25,3712401.959,193.5928438,1176333,193.5928438,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-","19179-12-5","C7 H10 N2 O2",83.9,80.5,94.8,585,702,100,-0.66,true,true,"w11n17main1",70100,1795,"SemiStandardNonPolar",32,1.8,"Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-","19179-12-5","Medium","19179-12-5","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[999163.1228716552,5704,false,0,"(4-methyl-3-pentenyl)benzene",160.12515,10.953,3490153,161.12801,143781866,933648,"C12 H16",160.12465,160.1246,79.1,67,98,616,831,1344,68,223243.668,161146.2877,80168.31178,403197.8333,68430.06868,149457.8119,802352.9822,1075331.058,468531.0284,0,1114253.8,3083412.195,44495.80077,237930.5311,3781936.169,38778.24308,107073.6651,177096.5054,1590101.726,11461890.36,20229.84226,128919.2675,694931.2062,295989.5215,60863.58223,1040973.167,6862691.555,97004.98001,15533.90889,661113.3772,309817.0855,344045.5033,39957.61698,700293.0756,1113201.498,444118.1246,256830.5553,492246.333,349593.6774,33974.0042,123713.5182,658760.0511,516014.4367,161904.9175,5231233.406,432028.5848,816159.0559,48164.81811,138216.5218,405969.883,276034.2974,33986.14909,205298.5961,591256.9894,144948.8394,174187.1281,57669.81206,3905578.83,1892328.38,1260872.222,1000732.129,1494379.785,4491856.13,285177.6379,323577.8135,375609.5413,5042626.482,42795.65568,263960.6368,1372419.121,1975453.03,107550.1657,830864.549,228885.8132,469841.659,35173.477,117518.8425,1875122.146,4059010.199,37868.69038,48593.00096,245626.2924,1002400.745,55185.90754,1465815.357,0,714683.8894,436085.525,59630.18247,6391323.464,925185.7087,74727.14693,1858724.694,284821.8571,5448590.597,427702.092,125921.123,2242210.209,50496.61321,302244.6211,6413409.136,7030217.199,349593.6774,322739.5514,473663.9616,229296.6919,2830516.862,137478.4996,214037.6377,968339.279,432530.8589,0,25994.67339,1630898.119,886782.6985,2173166.862,511851.446,1194936.768,2069089.082,405076.9077,1189672.97,448935.0639,306208.3072,1035568.626,188308.7897,1012072.698,802992.046,41461.79683,380498.8625,2552095.461,309522.9297,351582.1095,571398.5878,68535.19635,163539.582,99739.07292,99554.73758,0,342925.1758,129935.9324,338975.6205,3916996.238,799281.4439,304593.6662,1061180.997,80656.95171,217880.9572,1734288.315,270921.7442,523338.2685,15036.98461,347605.2453,299295.732,338094.9072,31890,92742,244877.5,252868.9456,181.4754425,92742,181.4754425,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(4-methyl-3-pentenyl)benzene",0,"C12 H16",79.1,67,98,616,831,100,-0.3,true,true,"w11n17main1",84286,1276,"UnspecifiedColumnType",68,5.1,"(4-methyl-3-pentenyl)benzene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[97801155.92349006,502,false,0,"9,17-Octadecadienal, (Z)-",264.24527,27.194,173290396,129.05472,14762425553,95859906,"C18 H32 O",264.24477,264.24472,85,79.9,97.7,653,783,2474,0,89864.4601,1024865.516,941168.2248,34310372.06,1848850.795,0,74542270.61,158263516,38396916.86,0,750955171.5,9390375.757,291747033.8,8032462.197,1236553068,19139315.05,12194161.56,269384713.3,469709445.7,18696302.47,116171197,0,32039881.14,151045337.2,6938231.042,0,79193503.35,216165231.5,62519950.21,0,42965436.93,416447167.5,33175126.6,0,152142042.4,3427165.472,0,0,368937674.6,13365006.11,39576592.58,0,1608303080,69669842.95,0,7520630.39,198504760.1,238247817,21104984.27,49788814.21,12402971.16,31424349.67,104771222.2,47866130.5,351173124.8,85124823.87,5330042.082,5446882.913,82139232.23,9686099.907,10701205.76,23897581.87,56976947.79,45539267.02,33157283.53,33219158.02,123877881.8,4043868.061,16034100.74,4150108.341,27923436.11,33192969.68,18457314.81,33175126.6,64795676.75,1783510.974,2205517.967,3349972.096,3122244.251,134174215.1,28958692.29,72278292.38,259676656.5,40244988.11,193108120.8,5151078.614,324818190,12160273.72,52691476.79,18786200.13,155581168.3,49728809.51,14995278.39,41354485.21,40447334.27,311066864,24640268.32,203014464.1,189183586.3,30632583.49,12195235.96,7409554.851,75525369.81,16205657.3,114066388.4,1314183.774,6163599.971,117414321.6,4376094.501,12737379.48,36583336.15,198182659,86401314.45,9289230.181,6332163.921,498338524.7,742887945.9,167136576.6,10032605.71,52512016.74,0,33151289.84,24037344.87,91047023.78,122216586.6,7318270.165,54641242.54,34579476.85,42268428.72,150188371.8,39551033.58,32588487.06,0,4181298.476,220840444,359163576.7,3973698.928,26409269.58,1321067.425,219628162.4,47355041.52,0,5687973.259,12349373.68,0,67278092.74,41552704.68,0,3124435.302,1709225.361,3541086.553,52408410.03,59485479.6,33198963.37,1507593.5,6335422,15052410.75,15275386.66,175.0130064,6335422,175.0130064,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"9,17-Octadecadienal, (Z)-","56554-35-9","C18 H32 O",85,79.9,97.7,653,783,100,-0.18,true,true,"w11n17main1",412755,0,"None",0,0,"9,17-Octadecadienal, (Z)-","56554-35-9","Medium","56554-35-9","CAS-RN","DTXSID501015908","9,17-Octadecadienal, (Z)-","RXORHYFDDNAOQS-KTKRTIGZSA-N","(9Z)-Octadeca-9,17-dienal","-","-","-",4,"C=CCCCCCCC=CCCCCCCCC=O","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",1.77482e-10,955.102,5.5575,314.292,4.37028e-07,2.68161,8.95531,2589.85,7.14248,25.9414,5.42139e-06,1.44118e-06,"-","-","-","-","-","-",0]
[2180098.8295323243,4560,false,0,"2-(2-furanyl)-5-phenylpyridine",221.08494,15.596,266608,156.08891,386223246,2507943,"C15 H11 N O",221.08352,221.0844,82,69.3,81.7,714,809,1611,0,2926.615605,307413.125,112143.4865,1412015.32,891012.1936,14415.10626,0,1878599.909,2084581.569,1751108.199,1447736.544,6208230.246,954105.403,9700.76544,50856.5518,1670240.626,1368617.065,7785.508909,12611.88423,1475250.795,1465471.784,22904.83206,46716.6101,1788693.108,1722749.243,10438.77051,1624697.711,4519086.068,1122406.893,0,1075371.517,2509012.638,15087.33344,12638.71106,1352979.817,2594700.78,1390316.193,13068.4136,4480525.382,10339127.25,2508944.432,17972.47903,2565242.284,8538393.986,3001465.385,34570.59202,2622280.722,1441549.7,768782.2238,809959.7877,5932282.967,3467681.147,1252631.374,11110.50499,3460357.411,1716181.286,9878.527684,25130.63379,46744.17109,756808.7669,1360287.455,0,2508833.78,2228627.071,1645564.006,1420344.93,7524707.307,1472471.195,814944.4701,0,18695.39751,9881687.11,4234210.185,21605.50526,0,7380542.676,2220758.699,0,4242349.713,8419144.032,1759099.408,28569.94983,7519048.179,894015.689,12588062.92,11747.86366,2455692.233,2833561.57,1906165.806,28454.22194,55053.8304,2174992.773,2422967.949,8857.634008,123235.3569,4232649.343,0,2654672.972,977043.0255,5491750.889,28486.86314,4256889.883,1044574.695,1390316.193,8147509.923,37071.49804,97522.99554,2693984.843,0,33887.49761,616550.6746,23810.26978,9123357.094,13403.66258,140769.8407,2367596.348,1239394.528,3317660.703,1987517.141,86955.62524,272622.6245,20959.22075,1553540.977,27814687.17,11146448.38,36470.18977,88476.80768,1087855.479,1669717.308,76415.54946,765052.9285,0,48270.49201,1672008.629,35852.8061,2800885.115,869766.2902,23848.8309,25624.60454,2494497.332,2907953.445,77223.87652,2445310.312,1035696.106,12957120.11,3841093.851,2089748.239,993306.6712,2183838.782,17655.8999,2267637.477,1541237.857,5552150.405,2243444.948,14542.5,388058,882884.5,687903.0493,129.8223086,388058,129.8223086,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2-(2-furanyl)-5-phenylpyridine",0,"C15 H11 N O",82,69.3,81.7,714,809,100,3.98,true,true,"w11n17_w11del",1200,0,"None",0,0,"2-(2-furanyl)-5-phenylpyridine",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[{"$f":"AVERAGE(Y3459:FS3459)","v":5763694.121765561},3036,false,0,"3-methylbut-3-en-1-ynylbenzene",142.07823,9.644,980753,160.12469,1015165788,6591986,"C11 H10",142.0777,142.07768,76.4,53.4,79.7,754,890,1272,96,1171644.3,798388.3649,400715.4696,2505093.518,881600.2489,602139.1638,2125038.877,7371529.586,732761.5753,7399755.467,1726376.811,13889451.66,2379563.992,617599.1541,19317327.85,613537.28,1565456.134,715817.2394,4710851.782,186012101.1,1010748.677,427341.2806,3416652.679,210551.7013,293827.8924,1899278.462,18485343.08,1953683.511,139654.7074,2668115.601,3551268.729,1998212.48,842065.5965,5453120.938,3411142.134,6394788.049,326650.6398,1812827.637,7036554.314,795272.5229,923482.7799,2255076.282,1536106.45,1619711.473,390341.0797,1742783.406,1707226.562,1092487.068,35507182.61,879438.6947,3280237.232,6192767.935,2393346.744,651717.513,1373497.936,1125561.926,483844.7997,5507497.284,1755097.979,1196073.014,3792170.074,2697713.03,6278844.842,859407.8197,1870557.294,2655968.941,15398508.58,466138.4293,2263947.09,1359333.509,2626890.893,1097082.564,10845192.3,1812827.637,2434196.379,1731320.567,1710909.349,898419.2855,10734095.65,951338.9583,1753585.831,1538261.683,4339024.823,2990610.848,2114882.756,886827.3174,3415805.574,6431734.182,1707777.514,12772144.03,4429944.103,1486010.135,2159668.008,1368992.224,2377489.273,5648754.363,792400.3813,9940492.641,1360912.088,1686610.48,4769731.58,3862288.432,1262167.394,3055318.75,678493.4268,1253172.762,2162018.972,2624708.036,1127632.081,5249520.467,1226134.58,4828397.127,838070.8983,731037.2793,921920.1099,1737092.029,3692453.593,3935608.946,531855.7975,2550439.045,1025995.508,16749424.76,1146817.829,159356921,1271195.268,977381.6531,5861191.027,836119.5619,2479203.285,4041121.885,4833801.019,1941265.914,22598956.21,2795268.66,1065545.106,3780883.894,548477.9052,846122.0938,15873226.21,521861.8736,2154852.68,6001364.203,658953.3738,1888563.244,2276010.715,1189823.552,1356862.392,22407354.35,1433004.729,2039896.732,783081.1795,1092854.084,1706912.272,1146064.627,268247,451036,952978.5,1668780.96,396.4855387,451036,396.4855387,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"3-methylbut-3-en-1-ynylbenzene",0,"C11 H10",76.4,53.4,79.7,754,890,100,-0.14,true,true,"w11n17main1",50739,1176,"UnspecifiedColumnType",96,7.5,"3-methylbut-3-en-1-ynylbenzene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[217655420.3846027,268,false,0,"1,4-bis(Vinylidene)-cyclohexane",132.09387,10.472,750668740,132.09332,33313152649,216319173,"C10 H12",132.09335,132.09332,91.1,88,91.5,794,902,1317,0,428283.1001,439574.5253,140311.7327,127520163.3,23497854.53,282622910.7,30096677.83,138945546.9,32311740.27,140467120.7,138265010.3,163112265.8,30883477.71,234098379.7,298377082.3,271753839.5,32816564.73,118089359.9,136714946.3,158594266.1,24230382.91,76664764.79,735368283.7,21461135.38,11699880.76,95805644.32,68335854.76,216678825.4,39007684.37,165865671.6,218926629.8,122804761.6,30801735.88,606156086.1,57545518.39,270416598.4,58833441.91,266529283.5,101265228.5,85196883.35,56614375.93,447762060.7,114788546,776423918,95720289.08,516996270.4,85411163.61,33035658.41,57160229.44,120655379.2,157425801.9,124954144,22539241.11,38368077.28,39183303.75,141236418.2,12841467.35,184111978.3,794058313.1,18135181.18,554464070.1,180670990.4,1999082159,71442230.35,403089111,379025021,580580184.8,22204139.23,57664790.34,506107957.9,1221815581,24616341.21,116680177.3,274003521.8,991690571.4,55065833.19,308172268.4,142082980.7,722763966.3,22085082.65,294314383,98597301.66,497677284.6,36407896.07,108172973.5,49143930.97,122804761.6,15391576.31,275460177.3,258837131,54844575.56,126440377.2,197937916.1,104215903.7,51298017.22,25934795.62,93539327.2,624031233.8,97629514.09,251455246.4,150218120.8,910059428.7,69435980.38,247072244.6,30395586.95,96766005.97,161078276.5,206226024.7,138405698.3,179652704.3,51601608.5,122659599.8,25413481.48,279984242.9,124092904.5,30826256.96,105479643.4,227396080.8,10406687.28,121516618.7,433103853.7,357531335.9,192312107.2,95743442.76,3279455.036,234317399.5,230868647.5,115293061.3,128346720.9,233320680.7,17020327.27,88980141.28,422251226.1,5351853.343,75894960.48,233498095.4,7845516.466,163158105.3,629865375.3,2023196.443,157017658.7,1210513353,12586441.45,381398051.4,829393880.2,62466378.93,300040803.9,1101968415,48250132.34,219320477.9,7848303.337,10580944.88,63388188.92,15878130.82,19607045,52160965,106995655.5,93703552.26,128.6605391,52160965,128.6605391,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1,4-bis(Vinylidene)-cyclohexane",0,"C10 H12",91.1,88,91.5,794,902,100,-0.22,true,true,"w11n17main1",35442,0,"None",0,0,"1,4-bis(Vinylidene)-cyclohexane",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[72795649.58167814,582,false,0,"Oxacycloheptadec-8-en-2-one, (8Z)-",191.1434,19.028,1396025,124.08826,12076206604,78416926,"C16 H28 O2",252.20838,0,76,99.9,99.9,803,805,1833,92,181011.0899,761918.5472,301515.2343,20209383.26,35501056.27,8726017.758,3388621.767,129919144.9,58945747.06,78600991.99,576901355.9,1412089.955,90074898.51,13840114.36,94353170.73,38978018.12,28034884,3448753.828,20666848.6,1181527.42,79224214.62,26237960.12,0,32887451.18,2962737070,259671.4064,19058879.03,28686090.24,146214527.8,56102.44476,30434175.17,18650864.48,141006141.5,1139210.098,27136422.06,65935813.81,83119.74334,0,31409948,15110477.48,264458537.2,0,36594041.94,179359786.4,182685.6391,0,52715228.26,54351269.53,1159288.488,13934978.31,32946493.99,44045812.67,42037418.26,28469542.38,99089225.58,25803301.74,2516372.127,2808065.51,54404167.59,20821723.93,10734394.72,13880572.08,20533493.77,55586246.37,60323107.84,20396863.74,113090005.3,14132717.61,3483227.887,706052.1584,186958757.3,36714488.8,188478370.9,14586200.88,27616042.83,24433744.51,9080119.811,476358.3879,19716292.71,230618833.3,15476575.63,0,100532111.7,15196010.99,8450225.686,0,3996160.066,31082575.96,355969650.2,0,109200152.2,49050844.94,8309178.745,65232094.55,48240806.3,35169216.09,27136422.06,46474686.55,14872831.51,11204591.56,8343484.705,43800605.79,40352423.54,14872780.54,61850281.33,3006333.723,65517756.66,46468671.53,9411506.208,0,16634006.72,28944595.92,80802820.41,31581465.16,0,79327083.45,191995731,33036593.76,76069110.25,132712121.6,1836327.186,571496896,27867070.46,26405773.66,116131586.4,19870931.18,3461648.154,21677623.53,8201827.752,33415599.55,25076284.75,20927975.79,986468.2735,44651074.1,497041903.3,8457234.595,20755536.16,24680241.52,106752471,29937688.38,70343546.58,22590314.49,70922768.2,9730758.063,1893738.225,46811732.35,64645036.31,2658048.495,6054179.914,239065967.9,5318575.164,36321413.85,44108560.43,14030184.03,246483.5,581988.5,1370905.25,1668180.049,290.9746561,581988.5,290.9746561,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Oxacycloheptadec-8-en-2-one, (8Z)-","123-69-3","C16 H28 O2",76,99.9,99.9,803,805,100,0,true,false,"w11n17main1",370130,1925,"SemiStandardNonPolar",92,5,"Oxacycloheptadec-8-en-2-one, (8Z)-","123-69-3","Medium","123-69-3","CAS-RN","DTXSID20881237","Musk","NVIPUOMWGQAOIT-RQOWECAXSA-N","(8Z)-1-Oxacycloheptadec-8-en-2-one","-","-","-",28,"O=C1CCCCCC=CCCCCCCCCO1",6,"-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",8.60328E-11,440.799,5.89343,305.115,1.84591e-08,0.440949,8.91436,241.141,5.82361,23.5597,2.6724E-6,3.85297e-06,"-","-","-","-","-","-",0]
[17130600.314135876,1758,false,0,"Benzene, (1,3-dimethylbutyl)-",105.07051,30.996,143289922,106.07764,2616576740,16990758,"C12 H18",162.1403,0,75.4,96.5,96.5,841,841,2849,0,4852.0895,0,23431.55482,7587955.02,1354730.004,532820.9605,28371015.83,154458316.6,21500782.77,6857307.489,207263164.7,13102640.82,6516261.11,1092606.831,65234203.65,4894184.767,388332.6078,16481461.85,3832543.754,36747728.47,6230050.037,53328125.3,28926342.26,12204339.88,2089510.072,1157930.419,6230894.769,46619060.48,5078454.502,2153140.271,16556696.63,3784480.98,3665209.703,5872393.85,13558227.81,2527235.782,2938089.087,31933212.23,14537412.39,15344413.92,7222631.255,4875063.674,5917791.002,17235335.67,7976448.421,8578018.384,10685511.78,7163740.816,4067630.29,9714125.67,9334242.884,15126583.55,6486067.728,3311709.786,26533901.65,3703585.46,7281521.693,2713280.483,46750487.91,8265158.554,2101115.321,4298611.175,39301.24535,8247483.12,5756594.221,3230810.785,147913111.2,4056140.988,11316806.42,0,31017581.05,8605429.574,18823306.33,0,0,0,17242.89396,5908679.971,2699099.738,52968249,0,20646519.18,43140489.28,3857354.619,4036568.031,2667346.78,6890404.326,1604491.238,18799976.6,0,29812103.7,2668181.768,3582595.159,43285302.74,23500912.65,39046047.99,14770664.39,39858873.77,12454259.19,10881474.09,1550878.76,14329305.3,17086448.41,14343300.32,0,14094089.94,37363.76552,7222631.255,10829790.67,4569145.277,15840212.32,10590949.74,934563.9163,0,877241.492,3152625.776,121783943.9,97149812.26,8139209.304,9768486.255,26832.08289,41191.35107,105739278.2,8765266.946,9525802.795,1234791.929,40430.31822,8014193.231,32524799.76,82996930.92,4579784.588,26781606.22,0,43407.54564,9985932.576,3056594.661,2555549.508,13000038.43,118485817.4,7097996.893,1865296.296,14410646.86,13453.67494,13544511.43,6048354.579,8442372.773,27170111.69,6655913.268,1653972.885,4159.994328,3618794.836,15104836.66,1647470.057,7347265.617,2178152.25,5546064.5,11303797.5,12915709.4,181.5232202,5546064.5,181.5232202,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Benzene, (1,3-dimethylbutyl)-","19219-84-2","C12 H18",75.4,96.5,96.5,841,841,100,0,true,false,"w11n17main1",88590,0,"None",0,0,"Benzene, (1,3-dimethylbutyl)-","19219-84-2","Medium","19219-84-2","CAS-RN","DTXSID20880720","benzene, (1,3-dimethylbutyl)-","MAUAHKQOJAFLQH-UHFFFAOYSA-N","(4-Methylpentan-2-yl)benzene","-","-","-",9,"CC(C)CC(C)C1=CC=CC=C1",3,"-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-",1.70529e-11,1040.69,4.48234,205.55,0.0124775,2.81788,5.19675,2237.79,4.76864,-46.0724,0.495206,1.53686e-05,"-","-","-","-","-","-",0]
[729940.8296491725,5829,false,0,"2,2-Dimethyltrideca-4,5-dien-3-one",222.19905,15.856,1696582,138.09941,116021829,753388,"C15 H26 O",222.19782,222.1985,95.8,95.6,100,876,964,1627,0,65383.11781,177934.4013,19986.60272,131591.6695,39748.7816,17255.33045,63419.93101,125521.5431,22616.49425,131533.0775,9940605.451,106965.4712,29471.75286,130736.227,47500.49711,139577.7528,22387.98562,315488.3763,10175717.38,12936740.17,1383420.485,735334.8819,23125336.07,69835.74998,16153.80172,292063.3131,1771920.295,25560.46744,13859.2085,23508.50754,1117207.374,110746.4804,249033.3152,211801.266,0,459456.7156,23521.2263,883122.8413,1097692.557,131134.6523,144188.3393,102932.9224,319694.5046,33878.5363,160057.1118,63665.87155,385161.9897,42820.40979,103331.0544,72932.28012,573514.412,58619.68693,3072688.8,92585.19852,729251.0752,54413.93631,620918.7639,316950.5831,140335.1393,315450.8581,157823.2372,159394.6882,437306.7768,68244.00927,1210565.001,195896.6912,121934.1652,55189.881,97175.66121,60275.905,73643.01937,21511.27332,157670.3595,131134.6523,45253.2399,9977.636585,336968.2584,1721091.287,450247.8461,305764.6896,151287.4372,37184.88382,196445.2131,10106.01924,78138.95071,121657.3788,40058.68017,12456.40938,149279.4008,187896.245,28412.06907,35884.59796,952734.2653,215574.2286,6206764.788,37655.62022,32510.43844,51725.04245,44110.96346,248334.8487,17453.45733,1204199.676,443614.7423,217546.0545,260712.2533,47771.51505,30456.31596,36490.30074,196211.4908,43317.62449,49990.23067,2082330.451,229926.7511,249589.0484,1106782.921,0,1516844.515,28869.84031,25806.1715,84287.70169,2030108.143,0,151716.7304,174334.6477,0,98020.4131,74938.13198,380376.2856,194540.1381,607116.0926,283924.5162,77639.37048,339166.8254,12373.5977,304379.1775,123549.0989,14859.64319,545253.7671,27346.50037,0,73573.3553,30738.62166,640901.3942,493312.9716,2982676.962,13936.57846,138720.2056,744969.8633,121198.9648,94011.02766,626789.2635,2464175.083,224814.396,83138.11801,11212.25,24470.5,78354.25,146342.1781,306.94174,24470.5,306.94174,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2,2-Dimethyltrideca-4,5-dien-3-one",0,"C15 H26 O",95.8,95.6,100,876,964,100,3.08,true,true,"w11n17main1",266129,0,"None",0,0,"2,2-Dimethyltrideca-4,5-dien-3-one",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6743703.74093311,2838,false,0,"(E)-1-ethylidene-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene",200.15652,16.605,16689160,158.10901,1165794723,7570096,"C15 H20",200.15595,200.15598,91.5,84.9,87.8,878,892,1674,36,90017.15958,621573.1683,110650.2161,7813276.988,4728311.354,1245551.107,409486.1733,3594716.374,5934331.72,2315771.475,2972380.241,9141057.242,3728494.187,6120697.023,44229459.79,7812355.486,8018144.862,1531029.098,2135191.159,4754623.231,3780812.905,2895340.944,7597698.784,28006651.18,4938170.698,4584100.515,9571181.226,18816909.32,1321659.574,1230377.749,6833561.928,6948359.872,6068170.142,769098.9832,149934.0051,4166328.657,4926300.585,598853.1936,6364848.475,2357613.575,16415991,1236996.132,4741467.292,5024101.574,9968084.63,841312.6482,5213066.917,5641695.928,4965983.744,492116.5391,29245079.57,4758596.972,6080450.68,1911143.463,27675498.8,7065485.187,6596166.551,1755414.586,2176094.384,3373570.827,2027338.621,482013.0591,6443742.711,5794284.163,4724337.613,1051554.792,1652677.606,6817682.783,1835202.967,775145.8396,3786013.72,5486402.014,3675834.709,2309323.622,1732951.22,9780302.39,9760525.747,2395414.393,1590820.906,7663715.199,3825793.278,1968379.678,2610127.733,7086172.565,5730064.817,10937453.45,438794.2634,8799504.508,4741467.292,1427400.371,18773816.57,9395642.108,10184144.18,1767374.367,18102117.43,9893686.187,5059275.54,5507972.431,13287085.71,2623995.99,2469719.864,3509882.009,3898968.573,4306733.078,12035904.04,5252223.701,22629326.31,11365435.22,4276435.787,4713596.303,1160573.059,2391634.742,6388439.329,1786284.065,3279148.629,15038775.01,2694306.693,8241551.713,13027812.58,3223003.032,5075618.928,7674748.183,5414118.351,1407454.095,4741315.11,1213419.876,2793637.357,10979906.48,1836149.398,3591072.033,12690126.08,986005.7463,3186560.214,10955125.83,1563435.06,4742836.932,4741619.475,1764550.567,2453982.12,8293093.316,5127503.423,1697054.876,14695883.49,4315698.126,1402719.11,20473227.98,1481819.174,2880215.539,5122571.95,1946475.706,37381694.11,29566425.91,45082089.81,13796637,844166,1772444,3571408.5,2884021.583,118.6255867,1772444,118.6255867,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(E)-1-ethylidene-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene",0,"C15 H20",91.5,84.9,87.8,878,892,100,0.12,true,true,"w11n17main1",192179,1638,"UnspecifiedColumnType",36,2.2,"(E)-1-ethylidene-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[30387024.440927144,1185,false,0,"5-[(E)-3-ketoprop-1-enyl]furfural",150.03131,34.549,46342444,150.0266,4887190362,31735002,"C8 H6 O3",150.03115,150.03076,95.9,95.7,98.6,879,911,0,0,6442176.115,6295636.105,9282147.919,19197083.06,0,10861880.01,14887393.66,102673703.7,33029847.91,0,73960930.04,131752313.2,136114434.1,0,42148273.69,22202548.96,23490397.74,0,43532383.8,34107278.35,11162307.52,13970014.74,17338578.65,26126888.87,0,0,0,138071563.6,15135614.08,12284448.42,18267830.86,57389531.31,0,39844260.03,0,10221149.9,0,106672706.9,44410021.75,34441382.85,0,41725573.15,72258398.08,62564473.42,0,11217488.13,58627626.26,16021722.9,4785011.298,22189415.58,13565526.35,40055683.6,26047562.56,0,0,47489401.6,16490040.7,0,68489757.51,10912885.53,6564556.097,14312259.03,46841231.51,75196675.33,13989835.52,20045621.01,69125939,63995382.48,6331959.787,4629630.888,33689736.71,155032258.2,8717998.213,9598088.402,33243025.71,23165746.14,5940554.014,3762031.527,12717692.33,77561314.8,0,0,40784451.15,0,9627287.036,2492094.607,14888344.48,4391270.169,40217122.22,13299074.88,16152109.64,119907420.2,10506301.2,22174648.87,37651665.95,0,39221590.21,44560647.75,22984724.6,10437005.36,8466923.775,85212306.21,52452406.84,28788631.46,39004126.1,29901649.74,7448092.036,35737456.82,3708172.767,28853450.28,18267830.86,72889825.36,34485889.14,3077197.118,21449984.18,41702176.53,18617134.61,76571324.47,30296085.66,0,137462314.6,14351669.16,10440738.88,125128718.9,102298036.2,4632493.934,83351947.03,23122030.44,35983131.72,44747542,50135712.52,27848457.77,51607641.69,14608779.72,7013294.627,5653735.061,7933125.814,4433896.995,17918527.1,32775288.39,18777168.88,92184275.36,14266481.35,7959033.168,22939023.81,7599894.342,8982245.359,13542376.91,8274381.951,5315386.92,3765843.698,47684795.92,6500345.237,12779061.78,2501391,5269796,10389554.5,8206806.802,108.6384991,5269796,108.6384991,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"5-[(E)-3-ketoprop-1-enyl]furfural",0,"C8 H6 O3",95.9,95.7,98.6,879,911,100,-2.56,true,true,"w11n17main1",61601,1316,"UnspecifiedColumnType",0,0,"5-[(E)-3-ketoprop-1-enyl]furfural",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[832823.2126010135,5808,false,0,"2-Hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-one",128.04739,7.645,7614423,128.04684,120781311,784294,"C6 H8 O3",128.0468,128.04684,97.6,100,100,880,886,1161,54,0,1393.734372,0,106498.9512,13537.61636,13534.36369,217912.6881,0,5372436.555,19096.43096,210818.6129,375159.811,1774706.043,37867.59482,0,75803.49574,348549.7102,18364.58,119896.7027,1530986.664,2421873.712,30867.84701,78597.54006,9780583.037,2132925.944,0,53086.84205,0,1522991.657,6869.179064,0,2152499.863,1663345.986,92548.24562,222337.5153,10351.70566,43302.69986,99915.70011,104203.0293,1547153.289,4574.951576,383639.6672,0,19037.09189,90476.82422,220823.7843,1593152.916,4530366.434,446909.0468,60380.78555,41973.57254,2579840.692,7684648.62,36583.31404,84950.31244,96747.11671,834272.9445,22197.85352,88349.37453,926936.7461,3833.027855,0,1633595.497,941841.9564,0,5002.716977,14349.1285,2154339.278,106565.8445,0,14359.22073,2178297.216,68938.10171,2138028.446,58206.6282,17522.6603,27699.29092,4808.638405,16597.92215,5914293.685,126862.7975,1163537.123,228473.4771,0,202874.0184,5564.217141,306961.1918,3750640.971,49299.82094,8049.732864,332511.0304,1979487.728,111329.452,9062.433917,624994.4315,1329335.908,126704.9154,105566.7545,7389627.704,19085.69333,18700.00986,9335.344445,2781549.217,0,11894433.24,60534.2618,35142.30534,3657524.35,20089.37255,0,17461.76291,1838201.27,92548.24562,8128.673926,896591.2468,61417.99055,18346.66992,148395.4782,27941.26468,5279.17562,0,375993.9371,360335.9636,395480.8476,620264.7692,14302.88278,201213.3233,1997084.513,17898.55385,8400.64167,2759184.157,1225014.287,8095.247499,151906.7438,0,2366967.498,809564.6506,65831.62691,0,856480.2546,87757.08682,0,878195.4683,6899.759764,460902.7245,97339.40443,64264.75531,51636.16921,21636.94682,16038.56523,71732.33338,3364862.135,1120686.113,575979.5452,14158.5,68537,586810,543064.2148,196.4609896,68537,196.4609896,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2-Hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-one",0,"C6 H8 O3",97.6,100,100,880,886,100,0.38,true,true,"w11n17main1",29626,1215,"UnspecifiedColumnType",54,4.7,"2-Hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-one",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10156336.250819208,2475,false,0,"anti 2-(1,2-Propadienyl)bicyclo[3.1.0]hexane",105.07051,30.255,18304880,106.07329,1496426025,9717052,"C9 H12",120.09335,0,76.8,98,100,882,911,2762,0,0,0,0,3598146.667,562684.2143,1287140.14,11746290.89,97840356.52,15177981.46,2029162.521,127599938.3,7453216.674,3764240.284,2765475.803,18765023.62,1955697.098,1013256.805,10498668.3,2995275.702,22991470.78,3016055.702,37459335.28,18575954.19,4729635.471,813305.9382,3585487.666,2888615.256,12376382.48,1615261.705,4575871.51,3974259.805,920081.3868,0,3681193.475,5024195.177,763962.1078,808639.4446,18517995.92,11560943.27,4051218.074,2261700.39,5602253.115,3205850.315,61642011.13,1847411.468,1604307.856,8216193.872,3625533.638,2713645.981,12621568.72,7391833.113,23384373.57,2010441.094,15288919.37,16490766.76,857809.3802,3155914.165,1673686.592,25728128.58,4442270.997,1292821.808,1727653.882,3233424.512,58106428.49,3302603.918,7919179.551,102455145,2110710.654,3736853.313,738262.8152,7151137.612,2918485.836,7179032.183,4858053.862,2532603.473,0,304999.9445,1306515.753,392810.5957,18801831.83,4519624.595,13396367.25,13973303.49,1082783.899,2147481.869,950781.315,1230525.197,898539.6603,7783423.457,1108356.219,15125456.32,2214814.898,3681193.475,15146368.8,6720054.755,11120440.69,32454871.05,17269548.32,2158417.433,4628219.242,3135462.879,5401461.948,1639183.218,4406350.338,1067099.543,5595895.583,3028671.884,247698.1825,1979030.699,11981123.43,5701792.165,15280842.14,473703.1315,4589537.093,37868538.78,964393.5511,62381376.38,20101470.99,4795163.628,855242.0943,1852906.574,688795.7974,53412503.63,19243698.19,3881282.414,5183701.264,2888730.272,3325677.261,10141548.22,8650645.033,819465.917,12054265.07,10958055.71,2282083.217,25218192.49,8149361.01,1296802.408,5440219.408,62812151.91,845434.9612,6528118.678,1497329.256,3014781.975,6963746.847,1840044.259,744934.7604,533465.2698,7049159.542,5772526.426,387152.6201,377544.0737,318848.9421,2032291.565,3481104.536,289828,653122,1819543,1747166.812,169.8399833,653122,169.8399833,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"anti 2-(1,2-Propadienyl)bicyclo[3.1.0]hexane",0,"C9 H12",76.8,98,100,882,911,100,0,true,false,"w11n17main1",22340,0,"None",0,0,"anti 2-(1,2-Propadienyl)bicyclo[3.1.0]hexane",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[11154409.818448346,2567,false,0,"5(4H)-Oxazolone, 2-methyl-4-(phenylmethylene)-",187.06319,16.4,9075353,90.04646,1407740420,9141172,"C11 H9 N O2",187.06278,187.06264,97.7,99.7,99.7,889,895,1661,31,14806.86203,30879.60593,29570.20937,8012268.485,8499479.762,1271497.536,7240315.176,8179932.861,17302192.44,361394.7006,5276533.366,8141659.17,13039911.88,2370234.177,2081644.858,5188085.57,693758.3088,5908333.826,8249067.382,7834456.601,7727108.146,10573538.18,5166333.593,9341870.89,13942303.07,686638.5486,6679447.674,63754339.75,23716862.75,40640165.99,38354205.29,7483711.661,2810596.341,4912507.593,44210131.41,12872085.63,1303878.989,2953207.785,62291272.07,64349124.08,1963088.309,3604082.404,22734381.71,7158985.976,4702829.451,5325269.838,7748683.283,13327936.2,5564487.156,876290.8843,2286687.681,19725671.04,19774149.89,10235768.34,13435002.16,20921312.66,17422147.59,6092707.915,5134633.055,3335642.44,451997.0814,7218740.04,12893662.57,12353667.73,5431670.824,5810685.217,4291231.787,14438246.89,2496679.589,2995278.163,11753393.52,9176134.933,13043155.74,23530625.3,5158192.544,3366026.629,2737691.581,4476159.783,5360671.847,11862996.39,3518983.867,13643266.42,12181619.19,8443510.111,8853317.004,1864599.256,1801027.361,8125922.712,1269877.239,11638036.6,1127036.03,13661510.8,3335837.253,10955830.01,1959554.65,3352861.053,8774811.023,11269351.35,13577336.52,2529623.333,10976738.48,20669376.07,7906294.907,2251906.769,21250169.18,1904254.696,1327043.953,34294560.61,6105770.135,1325305.674,5225097.401,213086.585,19800565.2,7483711.661,2944941.341,4971444.023,10185938.92,2036459.507,16059620.24,5166873.314,1417196.615,24590224.24,2544105.677,7436659.836,12428640.45,6103645.498,3220374.688,16836080.44,7073205.316,1066909.819,15453454.17,19746329.89,2519947.966,10790980.67,21850273.99,6243684.248,10998169.75,14642069.11,2061685.829,9581008.588,7530763.486,152534739.1,9162371.173,3508302.179,11100898.26,5386222.283,22335818.64,2577977.116,5041349.447,4431602.768,3998480.855,22748064.64,10568765.19,19166048.53,711824.5,1891794,3197314,2356563.974,120.7826835,1891794,120.7826835,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"5(4H)-Oxazolone, 2-methyl-4-(phenylmethylene)-","881-90-3","C11 H9 N O2",97.7,99.7,99.7,889,895,100,-0.76,true,true,"w11n17main1",151641,1692,"UnspecifiedColumnType",31,1.9,"5(4H)-Oxazolone, 2-methyl-4-(phenylmethylene)-","881-90-3","Medium","881-90-3","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[11927318.841465563,2201,false,0,"L-(-)-Fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 1)",91.05484,20.893,19172394,92.05766,1824396345,11846730,"C21 H15 F12 N O9",653.05497,0,77.1,97.9,98.7,897,954,1964,75,13250.11071,13200.41569,0,3181457.177,2684443.224,2726491.028,4021985.774,24771487.35,12367245.67,7341983.363,7050486.621,41623898.61,4384384.657,6238933.855,2422901.773,2247948.83,690297.6571,10738923.35,3880296.989,45253231.72,1171988.228,3109074.596,2380915.467,9325579.856,5740074.976,3201283.377,4278617.923,8845033.862,1674232.705,1642726.935,4150301.849,103937254,3256492.562,6836838.831,43282312.74,1989622.176,1095521.516,8320528.119,9101160.692,1159733.168,23305422.54,1877354.198,4851933.434,1593956.601,1750882.516,7409413.882,2042295.341,10179093.18,987304.4917,3027289.853,1416831.883,6099052.623,109248013.8,7556643.929,5650408.682,12366129.86,64549604.2,4323665.982,7249841.192,3976937.715,1733824.818,5358911.782,2664747.746,3866231.25,1212525.396,8819330.239,2684569.475,71532355.95,538288.1067,379328.1372,5208968.536,1820407.27,61776016.68,9940091.739,4813438.633,1804830.325,1622787.516,4969923.505,3191832.008,88767787.73,2187249.962,13122046.14,150925.4014,3417119.567,3044767.718,1117099.776,3443365.989,2353771.661,3286031.938,12441961.15,12973327.72,5645324.739,1614497.698,22757965.1,2352804.54,2376192.353,8217817.563,10223954.98,7461234.2,859951.7756,4493522.131,6303449.006,2325571.832,3466090.381,20257708.54,341442.3128,7158951.436,28265277.57,3904544.056,4150301.849,6278788.899,5902351.849,9224087.647,2685937.87,1719273.631,1331135.131,5440063.006,4582376.311,25690478.58,9138604.099,822042.5728,400564506.2,4208849.397,1391008.947,3303437.022,2519073.248,6624931.798,3398652.689,5031413.955,2326410.162,5190028.169,3537118.547,773371.4611,4348805.309,15835053.18,12280975.44,1030318.605,1884280.83,3903414.902,3397423.628,5621346.285,4150441.666,4150162.031,4616126.906,353101.5849,1919589.391,6889361.172,12487658.89,1757245.38,1816587.891,1007543.012,16524310.47,4200151.422,13159072.82,1495100.5,2923041,5546426,8509248.185,315.3813751,2923041,315.3813751,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"L-(-)-Fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 1)",0,"C21 H15 F12 N O9",77.1,97.9,98.7,897,954,100,0,false,false,"w11n17main2",424641,1889,"SemiStandardNonPolar",75,3.8,"L-(-)-Fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 1)",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1172427.4297505897,5464,false,0,"Î²-Tetralol",99.02347,8.199,9590366,130.04138,184614295,1198794,"C10 H12 O",148.08827,0,76,95,87.9,901,901,1194,0,199525.0293,195965.1551,169623.6647,1853614.965,1198442.396,577435.6495,6389669.91,1494868.968,317018.2324,405593.482,443671.5254,1161359.908,640503.6849,521130.3896,693452.8347,473118.1827,1308964.583,859640.5596,1029892.172,2309670.653,641831.7401,505565.1168,1224350.166,459421.5204,569922.3185,1416060.66,4784679.31,134076.9351,776546.6972,2041842.817,541503.211,10411473.7,938780.562,33252.15681,993841.3792,315093.5428,844082.0854,1562854.234,1494860.591,176150.5082,85882.78847,893287.258,646026.9695,699446.6597,74798.7362,923848.5965,1118888.765,620324.9599,206057.7537,748737.31,10333289.45,991831.8662,215243.1479,313636.229,373102.6329,290360.8171,216853.959,304893.6731,1029296.423,804356.0843,3379103.438,1479991.663,990795.3443,2251927.885,522577.2807,1570728.274,912154.3626,124776.9812,976719.3337,527957.0664,1194341.526,428444.4985,297554.9667,776546.6972,1479633.693,1178305.733,837306.0934,844503.196,355854.8134,428681.4728,1160897.869,333032.152,246396.9695,533196.5379,438267.0853,2147963.372,992717.0984,1346256.02,478762.8251,347871.539,305865.0233,399664.1567,1428300.465,156831.7974,1334487.123,262712.4019,2521794.366,1414970.275,39632.21373,1845793.987,721273.1381,1336040.523,786961.1052,1254011.865,606398.918,3802269.278,353849.9175,54804.69755,852447.004,1040585.172,945450.4937,3091060.086,274056.6396,264758.3429,1060001.304,3317743.608,1187663.413,6549.741379,124281.0405,2529859.624,1350928.624,532193.6841,1330200.152,2099704.107,636544.0325,5688335.556,1251691.322,236298.368,199177.4109,2109565.846,257363.5658,494765.3571,4364826.742,1612460.678,668427.6141,2861283.791,779951.0776,456466.7243,2396005.221,519551.8026,632315.1064,1036535.858,127137.1629,649443.2068,1725612.512,333843.4091,318830.6351,3623516.203,2009459.964,483603.3407,811282.0841,178740.7672,149552.716,773142.3167,248242.5,491903,900534,772091.5364,142.3167919,491903,142.3167919,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"Î²-Tetralol","530-91-6","C10 H12 O",76,95,87.9,901,901,100,0,true,false,"w11n17_w11rep",8939,0,"None",0,0,"Î²-Tetralol","530-91-6","Medium","530-91-6","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10629266.22275741,2448,false,0,"4-Methylcyclohexaneacetic acid (stereoisomer 1)",124.08892,34.193,172673,125.09611,1528802410,9927288,"C9 H16 O2",156.11448,0,77.6,98.8,100,903,919,0,0,79121.01101,0,54096.87541,1846543.086,1505806.792,64449.07842,369885.0815,4895734.091,3977217.898,58304169.44,13892905.49,39354058.6,2745538.019,0,9790322.914,42070.3942,267477.4646,342546.1241,14221417.3,1498262.963,3882767.785,145570667.3,405166.2215,257654.5916,2071965.478,66772.17162,0,1537219.907,727066.1464,7597935.752,16654220.34,61683.99071,770747.3576,855060.3151,1355235.327,763570.9858,6434771.904,2862175.713,32464856.65,11192682.25,968664.9887,16020838.75,4925002.561,1676174.939,22281201.33,0,4727920.177,50400085.97,1143923.993,99620.58816,430905.3821,314767.3402,1202639.88,54890571.41,342157.0215,4617487.572,2149709.998,2277507.898,3526370.611,280638.8632,770639.3013,118723.8778,56657550.04,1007605.366,20611670.07,98665.3423,3893103.651,29101486.73,1016931.625,0,3181395.045,34749202.89,2585161.668,3535984.606,2578894.63,56410.12483,665762.5755,1157224.851,5164197.034,2528768.499,137408.5393,211122.5394,6736811.544,1050123.952,1722736.861,42360.15806,3345045.116,19001810.23,1676174.939,86768.63375,0,50201801.27,0,94414.21668,2715514.702,292789.031,2170285.785,270416.9261,566719.2966,30869801.56,152028.2368,45791037.52,209577.8231,88576.17232,65624447.76,35560.69309,3454274.028,5703782.905,51911.62593,53862087.22,874941.9262,133376.3379,63634298.62,1962386.632,0,3303675.294,9873294.483,810179.9889,47140789.59,422390.295,151098.6567,57776661.54,3017457.862,301529.7994,5877892.6,164954.6298,58435569.81,1722294.091,3029225.887,386843.487,354620.7641,4626883.645,10580931.28,532936.9122,3329310.53,204940.2938,23634993.07,30006814.59,0,5258803.674,156677213.1,0,1630055.788,1450186.602,0,255866.8948,0,5179470.643,18881672.83,11699226.31,238327.2331,0,132347.5806,44754154.96,190535.5,1342571,5158696.5,6666040.252,188.7572452,1342571,188.7572452,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"4-Methylcyclohexaneacetic acid (stereoisomer 1)",0,"C9 H16 O2",77.6,98.8,100,903,919,100,0,true,false,"w11n17main1",76078,1300,"SemiStandardNonPolar",0,0,"4-Methylcyclohexaneacetic acid (stereoisomer 1)",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[14066007.948116159,1894,false,0,"6-(Pentamethylphenyl)fulvene",224.15662,19.374,5499895,209.13242,2363853498,15349698,"C17 H20",224.15595,224.15607,85.7,68.9,100,908,963,1857,31,86035.33238,0,0,11046824.15,2875353.101,507332.5251,13593690.71,22581106.76,13750753.24,0,76861211.18,10928093.08,7385183.138,4289080.181,18191609.21,8045667.034,6475062.197,5113217.082,7018816.806,10608804.45,34219964.29,10575718.66,5169810.923,20972037,13871906.97,3888930.005,5036297.501,39734703.04,13070500.62,5609985.534,16444274.11,5340133.211,8417471.411,9310692.848,9022669.887,4429215.286,7891639.465,5279839.732,16508896.12,86549714.33,55721652.18,2444073.124,25845774.26,84121716.41,16980047.9,5658945.308,35823285.46,6851893.66,7687957.327,2656653.029,67139474.05,33605624.65,18203294.57,2716035.863,94689116.86,8702307.851,13364902.95,2310841.158,26653455.14,5210836.327,3571024.165,5073066.965,9919077.845,10233958.07,7854079.053,2829978.963,14468115.26,13601169.36,7528506.165,2547502.853,11407067.99,24038831.6,12934457.16,6751609.76,17444938.79,3341358.064,16256879.65,1674552.604,9559788.078,20418417.75,8775563.602,17174856.77,50077854.92,10499379.22,42462989.65,5054612.479,1844260.808,33179776.27,13991628.58,5141983.979,24737085.54,18451643.59,17685727.46,7538987.341,0,4600328.146,0,9864944.145,9310692.848,17609357.92,0,9648583.561,92609.72124,12352607.73,14283595.85,0,7142798.105,26197684.77,371303.4458,5469127.014,6492868.743,5774130.511,4398495.574,8144162.965,3551638.857,22237532.99,26309311.46,9918904.608,10505241.11,2593000.782,144212.8559,7123985.964,6396292.065,4525770.875,9968043.252,18863255.09,13951029.51,8702481.087,8219536.864,0,22547262.87,20822270.53,0,5060609.876,17412311.87,4676811.991,5138923.813,5027337.626,7717250.043,24744497.69,20757315.15,8608077.286,41903766.65,0,0,27402478.68,16897088.59,396436.3735,10445500.04,7648843.29,14906911.46,18477148.01,23370179.96,10167825.73,347294.75,655634,1075864.25,1054667.944,131.208604,655634,131.208604,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"6-(Pentamethylphenyl)fulvene",0,"C17 H20",85.7,68.9,100,908,963,100,0.51,true,true,"w11n17main1",273581,1888,"UnspecifiedColumnType",31,1.7,"6-(Pentamethylphenyl)fulvene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[10308924.801526552,2356,false,0,"4-Methylenebicyclo[3.1.0]hex-2-ene",92.06266,32.925,15411376,104.062,1636858603,10628952,"C7 H8",92.06205,92.06211,96.2,94.9,100,911,957,0,0,119814.1408,25829.22523,6845.919102,397139.3587,209944.1752,407896.9449,3400264.208,103122356,1368384.453,1730979.737,22084615.12,1325127.693,650281.5406,857937.203,10934198.62,7173068.77,185184.6742,2060313.486,2306547.14,2149535.39,495561.1697,5862950.396,2701375.058,9587780.737,164755.7214,211218.1188,10433829.71,8870905.76,1895646.611,1147505.937,984672.7619,922613.8621,658513.0674,1761315.104,2200187.047,360014.8881,688348.2315,10370244.87,11934988.84,2733204.856,1908312.391,0,87720867.93,1819554.243,2998805.224,2788449.732,4868710.04,1682650.028,958881.0863,3329374.479,449723.2966,385649.0747,1374954.14,2814559.955,6416793.572,1073897.518,2217135.277,2148323.649,125613155.1,1749884.436,576978.2692,2460955.173,6030187.822,846668.6023,1168930.078,435039.92,21571158.63,19447952.71,2041408.787,730020.3654,10684257.98,1715467.13,2409261.071,2628689.71,35775789.43,57708.1163,907332.0553,1836527.186,631419.9166,5470953.902,1596408.97,4324581.56,7144762.646,494916.2737,1162210.125,793553.8309,53391.95371,885377.8565,1904234.486,1891634.936,4128742.905,2003512.893,1918538.72,7234401.92,4305334.409,6820592.609,4164799.088,4745654.115,37015394.89,1716314.723,1053568.178,2284436.848,16527902.33,23898883.46,1201557.881,1895646.611,1350252.127,106866.1412,14541651.86,0,305816.3446,434438.879,1060693.625,10905964.97,11668544.23,865868.9274,231880629.1,18212763.28,3150134.717,2808905.214,288526.8722,488539.606,17929858.46,649716.3422,1678891.069,1574902.411,1042974.826,2434068.116,9660025.39,10960741.61,1031098.646,8421232.196,87960673.53,311868.9452,1920797.556,234443.6774,1200018.186,2915205.901,314700091.9,1298298.847,15068078.74,7062249.503,1501679.826,4470622.394,3609665.837,1185164.644,6132522.541,2304220.212,1748507,781393.9101,247265.1842,569787.7619,839338.8041,1870495.667,357049,747790,2135244,4162197.141,326.678293,747790,326.678293,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"4-Methylenebicyclo[3.1.0]hex-2-ene",0,"C7 H8",96.2,94.9,100,911,957,100,0.64,true,true,"w11n17main1",5662,671,"UnspecifiedColumnType",0,0,"4-Methylenebicyclo[3.1.0]hex-2-ene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4805158.482765828,3157,false,0,"9-Methyl-9-(4'-methoxy-1'-naphthylmethyl)fluorene",171.11732,17.381,2353699,172.12015,939709851,6102012,"C27 H22 O3",394.15635,0,75.4,92.8,84.3,911,925,1724,0,164843.523,315813.4675,88146.06418,279553.7819,583518.334,103859.4537,1385807.521,2110638.817,1073031.358,888481.0549,7511441.318,659501.154,128652.8553,1288391.801,2576872.328,754975.9906,5155186.456,1373247.232,2393492.101,947051.3763,2999036.691,1977422.113,1212281.437,5546374.316,708195.1506,910557.2194,2070878.43,3960588.161,104086.0733,398435.1662,1364442.946,2446021.337,853116.6162,4710952.892,434989.7146,471383.7175,1040539.642,2900686.179,1250336.619,322137.3037,1361633.4,2016567.674,1192152.717,124241738,30541435.91,36258.36964,1196696.833,1334561.193,1029998.25,365125.4177,13873074.25,1122365.604,1734397.308,25882863.63,8674273.473,1151412.015,1512877.161,1435386.663,2287564.055,640359.0288,992328.6854,20461057.38,1258821.26,879950.6653,2020134.309,729991.4925,1578449.67,1179591.985,631040.3647,378104.3541,1655633.672,1241851.978,937763.8769,753087.0477,787484.2769,1081705.744,1710183.674,256872.2081,2159729.059,810469.0213,744968.9668,1113394.41,91261616.22,1250336.619,1121025.558,1392635.088,936318.2954,1079575.413,1041107.731,8263863.943,4050519.109,764971.2485,2463590.271,734515.1307,2564141.871,1347563.381,1237311.17,582888.8575,1831285.354,963099.5931,8740586.258,2587446.164,812234.1523,1758169.368,2072803.966,586190.8698,10311765.87,1648206.273,1578422.732,51652076.94,20014264.82,808361.5158,657610.1997,1681302.479,1013708.837,1452986.928,1920548.438,11149174.55,2358390.722,1498136.156,1336460.419,1243054.327,146491.5922,647066.8161,642031.6593,697910.0983,1047047.082,1814121.746,1229099.469,633367.6493,2251826.35,884741.9504,1037556.991,1268515.305,1299994.869,907528.0016,513792.5104,1096326.712,628598.0184,1257618.911,1049092.614,238206.186,1812499.088,55024252.16,285764.8151,3697909.606,200186.8187,7422883.179,1447745.251,1207591.875,41702584.49,4599202.667,7687051.892,1542537.977,110061.5,183041,374678,910490.2583,431.9730917,183041,431.9730917,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"9-Methyl-9-(4'-methoxy-1'-naphthylmethyl)fluorene",0,"C27 H22 O3",75.4,92.8,84.3,911,925,100,0,false,false,"w11n17main2",254673,0,"None",0,0,"9-Methyl-9-(4'-methoxy-1'-naphthylmethyl)fluorene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1671720.7135543718,4812,false,0,"(E)-6-methyl-4-hepten-2-ol",95.08617,11.77,750680,150.14032,324154153,2104897,"C8 H16 O",128.11957,0,75.1,92.3,96.1,911,973,1388,0,106065.1101,84621.72404,49698.24324,239693.0776,358792.1964,77205.96112,168722.8695,1151665.486,87395.80722,68908206.2,151355.2036,1446425.367,0,115938.9022,1380130.209,182591.5982,15023635.52,59062.06041,9374135.04,35546819.43,1001312.331,71128.98342,0,456334.3335,326369.1035,381878.1255,1075973.182,1051699.381,224273.9576,115653.3615,915673.5726,3903543.268,144928.5197,342580.65,716744.5683,2432841.11,488797.1084,153999.415,590502.2257,916321.9679,248667.341,289914.5761,290065.057,1213610.104,170859.9056,62575.67835,955850.351,0,5750165.397,111082.7493,543866.4895,721014.972,313665.9693,134475.4895,355317.014,1138619.55,241987.118,329844.2859,390412.7728,86001.3248,0,0,609244.5921,1206132.727,213131.3229,89656.02494,790737.305,737413.6344,0,195112.3595,421441.6328,649434.8965,191710.7189,147883.3152,8690398.16,1930913.571,193025.462,158710.9831,1186239.603,804856.6494,183269.1832,148112.4471,342580.65,401567.1048,187292.4235,214415.3208,858253.8659,906711.3144,108074.4111,245762.1464,504472.6161,1739390.899,0,149819.0848,871323.8661,1018741.016,57482.08532,643103.7427,650064.6121,103374.8366,578038.1813,9526495.76,117781.703,299388.4947,482523.3593,63264.11056,3947757.93,405648.8132,83765.88577,343366.0193,199193.0609,0,578031.8604,130502.4746,1057405.95,802206.4126,307485.7111,178386.219,12899269.23,211475.1265,7828405.793,1066232.489,408209.7116,912622.021,1243676.833,114601.4936,394427.2145,758439.5565,133584.5135,135684.5302,635896.806,192000.9573,210571.6544,2667425.558,135793.6745,106532.9016,1537889.387,113997.1577,223390.0437,1403124.498,0,574982.1709,898904.202,167247.439,5547563.21,685555.432,98278.3602,377675.5888,118759.0822,132652.7447,125877.7146,141016.4304,442329.4261,204312.0278,94855.25,211162,496214,1261524.669,448.655309,211162,448.655309,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"(E)-6-methyl-4-hepten-2-ol",0,"C8 H16 O",75.1,92.3,96.1,911,973,100,0,true,false,"w11n17main1",30544,0,"None",0,0,"(E)-6-methyl-4-hepten-2-ol",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6348842.362027087,3060,false,0,"3,5-ditert-butylbenzoic acid methyl ester",248.1777,18.665,37359029,233.15364,1001586667,6503810,"C16 H24 O2",248.17708,248.17715,97,96.8,100,913,929,1809,95,710394.7297,731054.7433,519695.861,3224719.263,7031835.834,1507624.662,15682783.56,5384236.727,12448943.35,3118892.899,20906792.06,2125744.178,6166149.489,1534561.737,4867047.289,1295120.406,0,3449921.484,2960526.645,6145308.037,3729198.743,2465722.804,12795551.3,3040372.405,16244981.06,1112290.707,10987789.94,3589560.113,4256985.642,761475.2175,8308621.684,3356301.721,4048703.839,1276686.68,22928315.58,1393979.941,11839617.69,1506159.256,32459763.74,1694274.107,4629664.207,469247.833,5397411.295,18351.41039,8881009.808,1728666.238,138015992.9,1904692.37,0,1218310.95,25044794.34,7328348.356,27013339.24,934938.5765,37348619.26,3919006.127,6176487.036,1173787.075,3886850.816,1663054.665,0,5330913.921,4099355.16,3375295.429,2485723.031,1679557.166,6654132.313,0,5093602.257,779322.9777,3635703.945,3543416.281,2411340.405,3310953.747,5956379.553,3856935.411,2789823.3,4199879.46,2520889.46,6786354.121,1897336.183,1990394.093,6380265.219,1492614.423,3629942.058,3639180.517,2162742.797,3846370.825,5326947.566,1114046.082,4619978.145,3589560.113,2547012.118,6863683.067,4367641.404,20682801.49,2040257.164,5640723.65,4318198.729,2136247.593,5672701.091,1740005.529,4704781.938,3044477.345,13822324.37,1471420.311,5421656.3,2441602.084,1211458.338,2614989.816,3490821.73,4023067.039,9233776.81,2131076.38,5054055.921,20991197.9,7435402.101,5271042.991,4396970.727,4001987.494,6446125.243,4527038.647,1438261.668,2900954.813,15935341.61,1421621.004,3394561.834,8210270.409,4537044.226,5098682.736,10821173.94,2341282.424,3093574.868,2273541.018,2836252.377,3248143.334,8587121.12,3398429.614,4739766.554,3864805.621,1481576.201,1986059.051,3677365.629,3037736.095,3733775.36,1879285.297,1977651.234,3501754.598,1931914.734,1898430.809,2505359.183,32155324.22,9565881.299,2859620.215,618511.5,1021349,1707307.5,1870540.374,188.5511014,1021349,188.5511014,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"3,5-ditert-butylbenzoic acid methyl ester",0,"C16 H24 O2",97,96.8,100,913,929,100,0.29,true,true,"w11n17main1",355766,1714,"UnspecifiedColumnType",95,5.3,"3,5-ditert-butylbenzoic acid methyl ester",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[38751223.29028211,1342,false,0,"2-methoxy-5H-benzothiopheno[2,3-c]quinolin-6-one",281.05151,31.617,18474324,80.06207,4062752199,26381508,"C16 H11 N O2 S",281.0505,281.05096,81.5,57.9,83.9,915,915,2921,0,207318.7434,0,0,2593428.989,505870.2523,113393467.1,32185139.02,27611171.87,4446296.911,16406541.65,39891251.98,4871145.436,1997072.394,31098001.12,19103853.6,1735739.233,306134.0185,65407576.57,12633571.23,8378140.621,879957.7861,40459878.94,9001445.779,24680358.47,3871527.865,121082718.9,28561010.71,0,4468241.183,2231314600,48224949.27,4847028.367,3664433.734,63216644.51,38086292.63,4579530.351,1333457.09,144274825,126172372.3,14520056.44,5328010.858,44228218.4,81315877.94,4348757.546,11178726.05,49189776.6,18673090.77,23833955.89,9723198.498,45233889.36,6567253.507,3709202.022,3535573.433,32788177.07,48340935.89,2869152.863,3294051.128,26974411.84,38806967.66,4412063.221,469462.9284,27700428.25,31085609.11,3245960.664,13214496.19,15825616.69,20230285.52,1963132.039,16719639.99,8712466.264,23053037.37,6755487.238,4645719.011,34106492.47,14131920.44,1166900.55,2395500.573,8649835.07,5149942.037,13343901.27,5866042.842,37347417.93,24561328.73,2213569.91,24986311.37,6428007.162,272953031,11070762.59,6738800.997,22369920.98,41788898.57,5023476.413,15703774.19,54322230.37,36609504.69,15554952.34,62760826.47,31491519.19,6879144.504,16502760.23,11335253.02,8319264.494,32847716.89,13691614.52,12910248.24,32167148.73,9979679.963,21902522.36,41816678.59,36186935.78,30445399.68,28582312.54,14520056.44,13215569.76,19765217.11,13753140.42,12834351.15,35716308.18,4015639.429,17142839.6,311608.5581,1466913.716,23656033.66,20148479.72,14560866.24,2083503.113,16323717.28,13337097.78,12454262.77,24871626.11,19023034.82,58873597.3,16369678.39,1534568.998,44383106.17,204031650.8,5701457.905,31173772.51,22525130.94,14479246.64,12036019.15,22579957.1,1686948.708,24314651.49,7232869.194,19160772.74,35694359.54,9860540.941,8531375.059,4042627.845,3797114.717,17407912.02,908104.9442,11831077.05,2564929,7410582.5,14271934.75,13586576.53,223.2857459,7410582.5,223.2857459,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2-methoxy-5H-benzothiopheno[2,3-c]quinolin-6-one","70453-75-7","C16 H11 N O2 S",81.5,57.9,83.9,915,915,100,1.65,true,true,"w11n17_w11del",2614,0,"None",0,0,"2-methoxy-5H-benzothiopheno[2,3-c]quinolin-6-one","70453-75-7","Medium","70453-75-7","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[5398614.83054384,3447,false,0,"2,2-Dimethyl-1-cycloheptane-3-buten-1-ol",165.16434,9.603,40237484,165.16379,785095385,5098022,"C12 H22 O",182.16652,0,77.8,98.7,100,916,963,1270,0,1097813.771,584201.5237,255683.9317,5273805.016,2294105.399,1148810.827,3788322.192,16535060.95,569661.3374,3620290.526,1873039.078,2367475.22,997337.6024,1255150.614,13260853.62,173103.8614,3857389.393,855372.1193,815656.4848,33362750.46,3117503.802,718592.1682,53681176.15,173592.1914,169846.463,10966335.45,19170984.7,6330498.063,1895136.455,2330790.31,8085509.793,780795.5312,71909.52175,4385787.289,6016437.268,755380.3646,1025718.226,16427377.47,109867034.9,1038565.063,747942.5784,3786005.193,4878182.933,6204437.962,1894978.088,1393293.402,4755925.584,118198.9943,2168718.703,6766419.524,5719189.652,2927071.722,45495.48347,706430.6211,1380639.311,2492861.916,2809752.06,1062056.974,6279601.707,890038.2754,0,82328490.15,11627507.95,1612093.666,564573.2157,4055741.452,525977.5481,1995138.858,2524352.653,3223004.126,15058750.54,1146615.33,13729073.18,6901990.183,2984522.311,2330790.31,1518604.106,1245326.328,2498445.558,1984060.137,1578479.419,2030129.507,4950143.912,2261944.268,1075567.609,962200.2823,4289000.929,522843.0371,1028127.994,11910175.61,2832801.257,2703662.999,3599912.246,2370359.765,2894736.309,729163.9622,928821.7088,9283393.535,1506671.317,3171979.05,28149654.84,3990510.652,1044343.526,3102227.773,1268425.153,1953334.59,11217151.12,2494527.242,1158401.806,2486678.948,2159433.943,2988431.881,2035837.887,979790.432,5332699.056,1832068.853,397619.564,4556511.495,1979623.325,2878707.656,5233293.612,2629102.918,2341547.761,6496214.617,1109609.897,2682652.251,3919534.492,1199726.374,4190875.456,3363807.73,6318281.218,2320032.858,0,2198435.26,1544615.505,1106112.978,772956.2315,1480752.475,1530955.39,1271484.029,3448986.47,7936407.263,1527221.654,10762176.44,12404057.19,2703359.321,2368892.336,13901962.27,259325.2863,1630934.063,2029664.673,1905088.055,3772630.712,2254594.003,694013,1340005,2364540,3018691.107,208.471196,1340005,208.471196,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2,2-Dimethyl-1-cycloheptane-3-buten-1-ol",0,"C12 H22 O",77.8,98.7,100,916,963,100,0,false,false,"w11n17main1",139239,0,"None",0,0,"2,2-Dimethyl-1-cycloheptane-3-buten-1-ol",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[20630416.656388883,1463,false,0,"(1R,2R)-1-but-1-ynyl-2-ethenyl-cyclopentane",148.12511,8.351,1236639814,133.10121,3504768764,22758239,"C11 H16",148.12465,148.12456,97.3,97.4,100,917,954,1202,75,129278.0921,2016033.829,85371.20043,15348634.14,11029340.57,4232736.085,21729443.27,33358565.47,2899254.756,5520485.074,9651932.58,51327398.98,9031794.201,4490058.398,93586179.5,3866035.125,11078705.04,3102198.07,32670083.08,1070457893,8454779.188,2595430.569,27624689.94,6658178.288,5956644.102,5737814.097,25932783.82,8556902.99,5051746.315,9084527.249,17011535.06,15186087.77,2909951.8,2983952.054,13061569.71,34712481.93,9341863.391,2440119.31,45165264.69,4701500.914,5883653.471,10259639.78,12616556.03,14680565.7,11091662.85,5808097.949,12499277.19,5575818.621,7523158.472,4798562.012,26831841.68,7573766.125,3191792.17,2791448.467,4854973.3,10113195.24,9407567.044,8564314.105,10868618.04,14115870.16,27097138.07,73014461.11,37221886.51,9547367.89,13806900.96,6753116.378,82880301.11,6593828.336,9276159.738,3396868.831,22874423.04,5570103.361,27897611.71,2592182.375,17899547.88,10848643.27,10959277.58,3270128.733,55196084.84,0,11021387.54,7806600.901,21113440.86,9830337.533,7283295.053,4810941.227,15661318.81,28145245.19,5891403.687,850671.9219,9484577.783,11557361.45,15677277.8,7553746.827,4874091.358,31202875.58,3921642.689,41952393.97,6756120.517,11357466.74,17395501.3,5426390.028,4474586.66,21529355.53,5382471.113,1918691.815,22334892.76,10670868.57,4509298.866,6288087.141,2804744.104,12050188.51,9341863.391,4752548.242,15966640.57,6783940.302,9993210.772,6592123.908,6173743.699,48072797.78,8654596.61,28447968.66,7593349.25,20831318.04,21233.79682,5618437.392,4200896.755,3389539.825,15595114.24,15161536.85,27400685.38,9665128.68,5619105.765,12796280.57,4808661.702,3981970.729,4211707.654,5293612.123,9464776.247,5246107.15,13842686.86,25495778.61,9452272.49,12194213.4,30846570.5,10031984.38,6907647.764,23190129.77,9231454.291,14080183.82,5179179.498,6765479.655,11415495.13,7048698.376,4907646.5,8527403.5,14030714.75,21155519.65,477.4193145,8527403.5,477.4193145,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(1R,2R)-1-but-1-ynyl-2-ethenyl-cyclopentane",0,"C11 H16",97.3,97.4,100,917,954,100,-0.64,true,true,"w11n17main1",59853,1127,"UnspecifiedColumnType",75,6.2,"(1R,2R)-1-but-1-ynyl-2-ethenyl-cyclopentane",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[6833921.286899936,2945,false,0,"Cyclohexane, 1-ethyl-1-methyl-",97.10175,33.971,477749,57.06547,1081292635,7021381,"C9 H18",126.1403,0,78.2,99.6,100,917,942,0,0,64866.45275,68022.03032,74184.46502,37422288.76,73067.17665,33616760.31,1243669.174,0,253810.4209,33306289.32,3914970.833,308983.6807,216570.9354,115523.7983,2707467.09,49633594.77,268289.1799,465864.8729,139314992.1,0,213187.244,1407277.892,1033995.683,394058.4517,56920.69626,83841.28648,0,866569.382,258951.7845,155872.2169,262072.8718,341443.9912,258139.5142,36935798.14,793120.4518,189510.0547,160105.8684,1384280.96,2256683.92,351521.0662,187422.7661,267360.0133,1537691.751,751857.1185,95331901.74,46449969.87,1367355.511,301705.1828,299482.6769,74290998.4,0,217681.7579,335915.8994,389351.2925,1217120.459,367126.233,566500.8919,327476.7269,1236465.786,310207.8556,123349.0803,494237.6984,113451127.8,264608.3835,223307.8729,87681.03477,3782263.802,530931.2716,146729.8429,0,1390171.122,609592.1072,190292.7734,506253.0461,510366.5874,0,131751.8655,2424007.903,26805568.45,595968.5507,0,727118.796,883614.1456,0,188692.4043,0,416786.4878,273271.9096,0,472079.2392,339645.735,70891516.1,336110.1048,830440.4014,0,1415879.116,638532.4407,680488.7832,883048.0891,239267.0306,195683.6462,197918.2356,277966.3256,199394.1315,686949.5324,0,313618.9921,353640.0734,0,394526.5395,351521.0662,689670.1598,39323471.57,92273.13147,730777.4622,22957274.49,2977159.763,1495718.037,33112005.95,434891.0571,167067.9854,19412972.99,1032765.459,267601.9865,187315.4104,14674352.49,906002.0447,222243.2604,0,553282.2251,96944.08351,419686.9136,446920.271,108940.6783,1074213.512,114605.5355,19826286.48,269975.935,359421.2407,34088845.89,166343.1156,650159.2581,227177.8114,0,404948.499,235582.6764,343620.8918,166971.9402,131636.3509,86962.62673,80663.5084,81633.02172,22655232.12,173492.1438,82689.25,157477.5,442988.5,2939768.757,279.5452851,157477.5,279.5452851,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"Cyclohexane, 1-ethyl-1-methyl-","4926-90-3","C9 H18",78.2,99.6,100,917,942,100,0,false,false,"w11n17main1",28349,953,"UnspecifiedColumnType",0,0,"Cyclohexane, 1-ethyl-1-methyl-","4926-90-3","Medium","4926-90-3","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[990452.4371777225,5678,false,0,"(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-ol",164.08365,12.07,886970,164.0831,149201309,968840,"C10 H12 O2",164.08318,164.0831,96.3,94.6,98.2,920,948,1405,33,0,15350.62508,1648.039986,140494.561,1195563.678,748893.6247,1313797.651,945434.1122,79426.43993,163816.2278,549309.6616,44129.47788,1242944.434,512144.3181,388325.4292,5123.337307,6329.693831,1012705.039,585331.1731,766766.4586,1890487.56,1178288.506,285724.4391,68030.41649,1678492.469,425266.4198,722408.9499,622424.9959,88459.67481,574819.2234,1924912.187,14227716.81,3161602.107,968336.5389,1216975.101,392256.3596,18611.81706,567320.4173,1582363.193,41400.04876,192779.0165,236181.6026,522758.6085,18103.15117,15664.23211,932162.3629,693518.9355,1626214.61,7272.212554,731799.3275,2319260.268,1587425.543,225034.7959,225602.4663,1185512.236,28160.65002,1598114.266,237419.9756,353586.59,789341.1846,564892.4134,732022.2004,894154.3898,7937633.768,259142.22,1395011.478,429666.2306,569748.4212,22936.24637,115217.4379,430184.0824,11955.16609,50720.88444,960516.945,863289.2874,6319.837622,490094.5008,368534.0061,47176.77693,2094235.195,4771666.176,665592.9618,525107.5179,64663.34489,1020027.641,537138.3405,357276.8784,4475426.114,567320.4173,414397.3628,1838615.444,710780.9972,89599.71724,247234.0684,3309919.905,73376.0533,1281914.055,696811.9493,91253.45682,1072266.669,307244.609,553497.6004,1072896.792,695586.2677,211197.4344,377890.1309,1134643.493,1987077.124,811034.307,1780838.249,227256.2561,1122556.837,1298685.421,257079.4023,508960.3729,1343555.224,394054.9784,402522.6811,253600.2556,1864771.963,347805.0805,570333.5931,1080121.675,1788489.529,433033.0439,705741.1159,933953.9297,82731.77965,237119.1764,486296.278,2107283.001,874886.2851,6617281.225,841005.0298,2315941.505,1639676.768,560811.0177,816262.5225,655175.118,782459.5994,323913.7823,2430698.069,24181.12707,193618.7362,2921555.888,17697.83817,733593.4086,4994534.64,138245.7568,402935.2303,6483.288902,564307.2416,370712.005,38299.18712,96908.5,261622,539844,455608.9007,162.570244,261622,162.570244,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-ol",0,"C10 H12 O2",96.3,94.6,98.2,920,948,100,-0.5,true,true,"w11n17main1",91604,1372,"UnspecifiedColumnType",33,2.3,"(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-ol",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[28765520.365841057,1208,false,0,"(Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate",82.07825,35.696,191043317,83.08549,4723093756,30669440,"C11 H18 O2",182.13013,0,77.9,98.6,99.2,922,946,0,0,1796955.353,0,0,23071845.61,2123735.921,37955209.54,0,104191144.5,23445737.31,28121716.66,227235742.3,29015734.14,17630520.7,0,160571251.1,10179274.4,4271870.952,28731124.64,64841317.62,15197791.64,9389593.95,64214312.96,28552273.57,16107468.18,3744432.457,4381390.398,2959978.432,40173052.46,10847240.9,10979043.72,19100718.94,11520500.58,4153397.205,30445768.76,27608951.41,6879485.39,5805498.142,36089229.88,116879436.5,31149503,16086860.32,20351183.16,129935617.7,32796704.93,57823896.46,0,63405389.66,55946554.24,4807636.101,61021589.17,7801463.665,21641603.36,8800148.534,23493521.01,41566477.21,19114889.85,13046723.92,24050036.45,24850119.07,12935413.58,4512514.059,5760767.143,40221356.05,9617959.594,7426793.272,0,64691373.91,34666955.59,9872726.803,0,21587476.47,34331400.71,5065548.925,28433982.55,19887345.19,8500893.565,3294804.284,13391414.33,24488500.56,56720189.85,8818598.477,17589992.05,31157023.9,7204143.994,33770122.04,0,23709681.9,28839198.47,14343886,11300258.98,0,62793356.23,15373579.58,27372714.17,132260.276,162153035.2,24359148.67,44076399.99,78615467.53,20351183.16,10814188.35,25216806.9,37168093.52,12746846.54,20975593.29,8472308.488,13464826.95,21394557.67,11047467.14,20792578.19,0,37301511.01,102661022.9,9969827.366,59005950.37,32872366.9,93203809.03,95925094.71,28984906.47,21045927.12,14991577.28,13865063.07,0,29054412,27168217.98,0,34846791.44,24919469.75,11779573.95,94556427.36,76259037.06,41121152.95,47359861.71,6439472.574,10442614.51,16842946.68,23557390.37,12275127.52,0,38229925.76,17099209.24,50844836.37,15206085.06,20061197.15,0,44419564.95,21921507.44,14591668.93,12020014.73,9769981.213,3297281.382,10983565.21,20641169.17,14491573.79,8164850,14903938,24349317.5,22611120.82,112.9961454,14903938,112.9961454,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate","84060-80-0","C11 H18 O2",77.9,98.6,99.2,922,946,100,0,false,false,"w11n17main1",138557,1282,"SemiStandardNonPolar",0,0,"(Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate","84060-80-0","Medium","84060-80-0","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1412735.5631552848,5580,false,0,"(S)-5-Ethyl-5-phenyl-2,5-dihydrofuran-2-one",161.09663,17.1,1781741,162.09937,167167670,1085504,"C12 H14 O2",190.09883,0,78.5,100,100,922,968,1705,72,0,93045.62773,0,1116300.425,15758.06122,136662.8784,5942163.239,871816.1851,29589.14269,694618.2871,680597.6667,325038.312,18358.9574,812374.6511,3781292.367,0,32216.36372,734847.9383,21081742.94,1283536.996,279233.0555,161155.5282,237076.4246,61494.87307,26593.37362,113054.744,59099.3108,2477614.58,0,44251143.55,141150.9849,148978.4349,66669.32294,96830.69388,0,2901263.977,1088030.657,939112.6659,472215.8526,18227803.91,0,588766.2805,258154.74,159284.0737,0,888763.1228,32420.261,4343725.853,10580.8853,420012.7126,460606.1487,3004347.375,12797.65528,237189.7311,932398.603,103920.4071,25406.69883,4148855.006,779709.2563,264591.9886,273980.6615,322886.9849,107438.8309,39149.7413,164481.0728,461942.7306,251717.4915,457893.3997,163326.117,1834405.103,120341.2705,8841.465992,42850.1413,65491.37567,1903210.715,20498.55281,397453.4688,355681.6477,151795.378,33522.14817,1040530.131,181935.9978,471061.9085,774052.4344,790537.8215,142757.0307,609093.8727,60358.01319,2021333.887,409733.7561,526450.5755,157574.3367,1140447.49,131802.833,0,750270.0651,479855.9761,742432.1779,35647.38117,606993.0677,15291.90644,470447.7196,1047645.649,162138.8766,38030.85267,258154.74,0,32545.02955,341632.0778,581982.3206,105853.3542,1147269.872,9708.371456,21308.16539,0,120932.9243,519341.8571,13005746.02,0,440570.3242,201974.686,49512.60836,252708.8937,560092.4635,22442.83296,43139.75189,55317.90763,124803.1238,152289.1078,34322886.05,32858.85876,1409087.754,62739.39358,16399.70019,263600.5864,2018000.946,11529.51895,425132.7685,655366.3974,16269.97283,137900.1817,442845.9582,313302.3805,515709.4911,1598241.052,18832.08816,336274.9335,1110049.977,1388661.1,2096826.532,904513.194,993538.5935,62247.51068,162629.4593,12690,66176.5,182950,264171.0775,277.8205148,66176.5,277.8205148,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"(S)-5-Ethyl-5-phenyl-2,5-dihydrofuran-2-one",0,"C12 H14 O2",78.5,100,100,922,968,100,0,true,false,"w11n17main1",160491,1633,"UnspecifiedColumnType",72,4.2,"(S)-5-Ethyl-5-phenyl-2,5-dihydrofuran-2-one",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4149539.732627152,3709,false,0,"Bicyclo[6.4.1]trideca-1,3,5,7,9,11-hexaene",168.09383,15.476,807906,168.08875,664189024,4312916,"C13 H12",168.09335,168.09328,91.3,82,100,923,992,1604,0,884463.1086,1183643.197,605302.9174,1758079.185,818371.2529,5031892.11,4935342.036,3314945.753,818883.3357,2451183.298,8923573.398,3136727.452,1120810.069,3740859.419,8918448.078,2493223.502,3630995.192,4344438.875,7842274.563,5229493.195,394339.7163,6595258.536,7164218.498,1538472.014,1446346.515,404064.7981,4046096.722,4080263.683,730655.2026,3992546.343,5974102.296,3472970.472,1117153.519,5401951.479,2710662.526,786887.218,682930.1891,3763333.389,12497157.35,1589114.245,2550724.611,2858739.818,8272960.005,3841329.936,2111855.39,3785008.979,6116264.239,1379109.037,1077087.217,3340547.878,199593.8107,3627390.252,1077659.699,4460669.547,2269838.92,2286597.028,3469599.19,3987238.533,11000570.43,2611130.689,2128094.7,3497454.196,3849206.772,20098875.84,3745130.708,3982467.85,5637305.015,939234.7179,998420.1001,3476341.755,8204903.945,1692256.668,5934038.059,3472970.472,3594505.036,1251213.413,2483233.562,1713584.626,11386648.32,1734886.611,4403960.959,4712771.41,7872045.252,805233.6002,3173956.787,5594226.482,8332459.064,2037243.986,1582829.29,4498560.519,8252396.01,1539083.095,5494638.236,2869876.313,10483168.83,1388602.433,2703565.601,8683585.489,569681.6727,1592230.67,4161804.635,8721269.112,2820990.111,3736482.476,1129493.36,2949700.183,7617807.715,13888157.46,3704070.656,2110980.877,2671554.047,4718023.687,783433.7223,6397234.21,7889088.105,1627037.562,3215979.031,4747503.111,777400.0646,6759227.189,14240670.05,1198443.287,3545005.173,1815896.17,2675035.655,4982473.094,8131908.833,719071.8483,3400935.772,8327225.502,1563291.392,3910088.33,8143614.435,12678036.8,4093117.642,16923556.45,476080.7069,2274212.803,6433973.635,766887.3526,3898323.965,871996.8433,1349229.306,3013928.116,4908884.111,1413369.189,4934504.806,11990561.85,3601611.632,4232221.565,1182812.312,922039.4677,2904464.282,996921.2387,318644,627289,1045102,791279.2185,81.07355736,627289,81.07355736,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Bicyclo[6.4.1]trideca-1,3,5,7,9,11-hexaene","52954-75-3","C13 H12",91.3,82,100,923,992,100,-0.45,true,true,"w11n17_w11del",388,0,"None",0,0,"Bicyclo[6.4.1]trideca-1,3,5,7,9,11-hexaene","52954-75-3","Medium","52954-75-3","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[9926004.638960065,2545,false,0,"2,7-Dimethyldibenzothiophene",212.06605,21.175,5269714,211.05763,1426223791,9261193,"C14 H12 S",212.06542,212.06551,92.7,85.3,100,925,940,1985,0,57998.74412,211685.97,89863.41787,7986924.971,631762.6094,3830746.185,13516850.7,39106678.85,8474116.241,13487120.25,0,12737312.12,5117893.026,4224239.604,8448291.436,4816920.758,4169510.545,2484476.438,654708.2554,18963468.58,1149335.266,13793562.92,56630955.96,3575039.305,2183366.471,1609600.14,4082322.097,18812809.7,2001035.474,2899385.836,11603783.41,1703592.391,2201556.85,2758236.303,6826265.829,3712418.823,4844461.432,4520580.181,15487858.75,14597609.52,6657893.558,1163753.815,21333376.17,6613027.128,1259744.985,4047575.981,6220078.517,817165.0959,7130659.659,3924611.516,17430609.73,31123499.13,310608.7212,4798937.245,16009601.42,23478334.68,4226754.731,2684688.213,22274829.31,3158963.382,4242223.117,1179497.615,6454039.69,7567128.145,15125997.62,86752.96855,33317143.68,2030820.215,1415748.76,1856028.939,9727649.366,2752323.616,83515627.67,4650900.158,232002.2061,1049120.981,2148877.049,935330.7055,1098900.264,10285325.48,12497310.17,5875461.02,1161500.764,6495713.109,7891260.501,2200494.727,6085862.091,3289267.974,14167713.38,6066543.102,11801557.13,4610851.686,10171424.27,4942333.218,15773550.9,15504337.06,2741157.017,14231993.79,1083162.974,6137178.653,3635726.081,207595.9353,9237044.457,27800644.16,2948229.961,47069.23643,9796439.352,2450785.788,3648071.85,4036749.636,43677.71569,4520580.181,2714785.566,3204812.768,66982145.4,4009695.639,25487521.7,107563838.7,2436976.01,12836597.46,9291813.121,0,18145560.48,1335803.207,4040162.391,707734.9598,79962256.22,5940247.877,4279283.91,44834232.86,1482169.044,7974662.202,8766312.226,4761876.451,3349521.99,0,1512514.414,547005.6477,40188902.86,2517573.314,2399165.678,4876966.326,48079811.84,4016432.311,7536009.757,14871861.45,1144910.597,6978585.532,2308615.093,3426214.856,4177363.926,2596612.889,7195494.24,5262413.222,138500.75,292201.5,662544.25,611952.1622,148.7108456,292201.5,148.7108456,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"2,7-Dimethyldibenzothiophene","31317-19-8","C14 H12 S",92.7,85.3,100,925,940,100,0.39,true,true,"w11n17_w11del",1024,0,"None",0,0,"2,7-Dimethyldibenzothiophene","31317-19-8","Medium","31317-19-8","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1273355.7541046354,5410,false,0,"1-methyl-4-[1-(4-methylphenyl)propyl]benzene",224.15662,17.528,1412042,196.1201,195119011,1267007,"C17 H20",224.15595,224.15607,88.3,74.5,100,926,969,1733,95,43022.28902,195446.1297,40624.71109,2592306.886,515984.5178,313421.8191,916123.105,1453568.875,783809.8483,709758.475,2527707.858,2685597.419,639485.9048,398759.7866,2416473.348,1880283.62,702578.0377,378134.7099,1944377.385,1618564.152,1192502.336,555752.6831,1715726.001,1657987.173,852404.7297,315932.1256,781956.0288,2117016.076,791846.9662,254621.2302,1834124.09,755550.2511,1471214.797,317353.5254,928248.4846,824395.5821,884263.9173,215413.5457,1389854.105,638632.3393,2450175.623,134609.7353,1506826.259,2553050.368,1958666.572,295255.4705,2285715.833,629272.395,1215149.042,232729.5975,6322854.919,1176642.447,946147.7688,331968.5289,6746757.386,698786.8995,807057.0334,4741474.971,2365796.185,540746.1769,1333606.151,180915.6539,1801374.763,895340.6031,2182262.483,317367.056,1464219.093,751543.7662,873187.2315,300207.1327,586381.1007,852479.1077,1678898.49,315539.6431,587086.0689,470903.054,2327946.481,227656.5206,2269698.746,745843.6527,1151990.324,643411.1955,3306866.748,625016.6433,1922218.097,487863.839,899155.9451,1573981.508,1469933.858,321478.8156,1089030.56,1182321.176,3730843.536,316955.7716,884263.9173,2080990.8,384383.1442,748587.7167,736772.3668,1039725.601,438359.8156,932611.3518,6967017.248,1595561.089,950003.0228,457412.0359,1345130.601,1309004.205,324772.1963,566343.0617,248490.2407,705670.4549,739438.3169,559867.1714,927932.0218,1235013.586,511464.132,787422.4977,772516.4871,858295.0574,1349062.969,586362.2347,303085.5962,717772.3886,872182.3591,642509.5224,1435863.534,548449.8351,324623.0727,3712914.39,3995464.788,514592.554,776331.716,1006849.095,1288607.529,467515.061,619848.18,1159057.34,766561.9696,896345.4755,493232.53,726089.6533,816255.2439,915569.4971,658381.6633,1844858.702,1262574.589,1200834.261,8062038.739,1292794.094,1563320.441,1215825.712,2309613.391,1029342.844,223161.5,375823,668283.5,548406.4967,98.05271134,375823,98.05271134,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"1-methyl-4-[1-(4-methylphenyl)propyl]benzene","52991-27-2","C17 H20",88.3,74.5,100,926,969,100,0.51,true,true,"w11n17main1",273586,1828,"UnspecifiedColumnType",95,5.5,"1-methyl-4-[1-(4-methylphenyl)propyl]benzene","52991-27-2","Medium","52991-27-2","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[2549531.830486178,4626,false,0,"RO5,10 - rimuene",272.25058,24.469,2187429,258.22968,372573325,2419307,"C20 H32",272.24985,272.25003,97.6,97.5,100,927,927,2240,0,10160.60614,0,0,77138.63232,37362.0614,52945.40741,243475.0751,221132.172,709967.4045,10320597.65,666990.2047,398664.1313,354590.6426,14826.63927,8009323.793,115487.3537,108765.2309,22235.94809,153525.9056,2128284.519,145228.8702,216653.4307,278633.8632,2142202.04,22658.4204,31971.52853,15283.87196,1919129.635,18316.79943,18113.80572,222332.2482,34444.64999,208186.9696,19937.36591,4565687.244,16275893.87,0,94561.2383,92436679.03,629777.8471,72418.00737,13529.53102,4058186.043,1267279.605,185089.6682,0,954052.4629,77518.482,484153.0831,146732.3335,140404.9959,118697.7577,8863138.44,3348472.599,2453270.393,1559989.6,3086876.737,147273.9398,0,144333.7911,275840.9685,71754.2431,763200.7051,175119.3832,157022.8539,17520.53525,6065956.618,127148.536,195059.9531,6641.125357,270730.096,8981823.302,319848.7032,4659085.256,405349.4998,4420.891736,21375.98076,79891.82923,36708.40868,6477966.427,49383.29913,89662.18756,155093.8865,288542.9119,616161.0041,6915.850439,63296.28939,678860.1292,44518.44231,17971.20629,153858.9132,333039.4686,874936.3699,72979.10531,185089.6682,325632.7554,29983.27564,85164924.45,199756.1485,2864706.58,0,325473.3031,56452.34879,160418.3409,239875.5846,289027.5217,30148.98091,3107668.034,912970.4208,79888.70272,2297413,82205.45008,1057343.488,16235.99065,79529.69487,2731600.503,578711.6668,123420.741,241591.1337,217577.3309,41080.67225,489245.9405,93218.93528,71391.26661,5665892.422,29328.90617,0,1494862.462,268347.965,137765.3036,1483960.284,135296.837,0,244310.8504,4130335.228,90867.02794,6050.721965,178853.7464,191325.5899,163960.0601,30953519.84,169738.8104,452959.7401,365431.4881,29313525.52,102230.2631,3756247.271,67518.90816,6415.941056,17605.63236,260792.3332,304136.8458,219235.063,66102.0653,25552,63891,223423,854224.2276,406.806704,63891,406.806704,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"RO5,10 - rimuene",0,"C20 H32",97.6,97.5,100,927,927,100,0.65,true,true,"w11n17main1",441630,0,"None",0,0,"RO5,10 - rimuene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4287237.361607152,3631,false,0,"Bicyclo[4.2.0]octa-2,8-diene",106.07832,32.597,3544601,106.07339,696793800,4524635,"C8 H10",106.0777,106.07777,95.1,91.4,97,928,973,0,0,180320.5243,61658.93436,0,45298.82252,63746.13796,0,1333459.332,22048385.26,805757.6133,582578.6787,15545211.45,23058024.89,599108.6444,353334.834,3817649.973,273796.3934,270593.1564,1019059.9,1729369.089,3609313.277,349144.2194,536935.4221,2125967.714,1016755.062,84601.6217,83338.69673,196427.8874,3430190.915,590843.6616,437670.8456,6444289.647,0,89933.10236,402434.9857,2753306.427,632181.9852,212041.0532,2202950.265,73954202.21,1234756.264,465733.3768,673275.819,437220.9845,229052.6486,953974.4783,460095.4437,1024307.974,449665.7185,441064.6564,988340.5601,1072630.969,110407.689,501630.0122,114943.7906,1354968.594,270047.7845,17662498.35,133205.0689,4432246.004,503196.8299,611336.4682,318673.9165,2983721.229,125915.1666,896511.8957,631241.2616,23211910.93,570350.855,337877.4769,286829.8993,1159777.441,930346.3922,638193.3566,1123918.561,747171.4143,118311.6118,115375.1606,44795.95668,85811.1745,36507899.83,511211.5596,17308032.25,1244271.308,284098.17,0,242809.2545,513034.6644,225721.7066,209775.3388,8742492.374,26976898.42,503290.5638,203958.1038,30799162.77,1826164.129,2537764.125,1716272.199,32703801.59,20983617.85,215852.3546,1797998.784,572749.463,7253141.048,1140632.674,80010.17582,399988.2534,196746.8663,340305.9274,8489328.997,960903.7718,12452234.51,1043743.703,83781.63678,320298.1646,2584785.837,477124.9131,11314488.2,77094301.44,1283863.028,1407198.684,52660.83083,271581.2264,3236661.839,253685.2794,808713.4376,136625.7967,672115.1852,530639.6183,2837477.553,55776937.02,336168.7536,6252508.626,651047.7049,29714.43354,1880894.328,110265.8695,360584.8379,790366.944,6973833.73,107601.939,210375.7498,2203601.772,439003.5555,2857191.426,394596.1874,221895.1836,3736477.381,778383.1914,909913.2864,157659.8303,19794.53856,360889.793,121629.8746,192353.8858,93835,220793,740126.25,1728418.243,277.927518,220793,277.927518,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"Bicyclo[4.2.0]octa-2,8-diene","76507-92-1","C8 H10",95.1,91.4,97,928,973,100,0.68,true,true,"w11n17main1",11723,854,"UnspecifiedColumnType",0,0,"Bicyclo[4.2.0]octa-2,8-diene","76507-92-1","Medium","76507-92-1","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1085884.0014977145,5469,false,0,"(Ra,S)-()-2-Methylhepta-3,4-dienoic Acid",140.08377,9.796,814454,140.08322,183881364,1194035,"C8 H12 O2",140.08318,140.08322,95.5,92,100,937,980,1280,0,3667.501858,50644.34247,150855.3939,35327.73979,410615.5768,726942.659,2033846.957,239643.357,262785.6593,185421.3835,637529.0558,27519.31712,71697.79654,433890.4073,34790.463,1025951.519,19198.69059,113816.7149,773080.4077,133119.279,180969.1499,425143.5411,1501445.059,507859.0937,87221.5139,482771.8495,1183122.889,524343.1909,516556.5766,8015785.479,29878.35143,430466.2858,69033.89761,207346.415,11732462.55,306399.5647,33348.95666,336700.618,2602293.914,183912.4139,108352.5919,528629.5367,1687915.505,156525.779,19481.36739,9969142.958,238784.5761,414430.3485,2138378.315,4256.572443,55679.70773,466153.1227,640912.729,3082092.089,3964426.642,212537.4836,109436.2012,54428.02467,421730.0621,361625.8992,24935.90666,311775.3368,28960.84336,475858.4479,154554.1691,2423983.063,1059701.655,157765.193,1010044.476,1068418.809,58217.07543,142018.2126,62797.16851,1436694.341,584211.9804,131759.6892,923808.2152,357423.1361,1719394.139,1052599.289,7150.835182,20354.48279,41010.08539,336700.618,116846.6543,473676.6757,271038.2489,11418.22002,21358.2155,12391.53659,426117.9947,92495.49038,4957399.374,97578.02785,1572545.001,488601.877,116655.0326,10010685.64,60658.91367,18164.5205,174555.2021,122367.1843,380499.8637,225000.375,166497.9659,13045.48366,2756094.91,1199700.88,339355.9473,695230.9017,507590.6749,4625385.883,1254751.057,547736.9419,182134.7302,417658.245,1512155.734,3589769.202,16238.36203,28151.80898,1321924.245,143793.4611,432192.5506,140370.4005,881639.9179,378300.5212,5796014.016,220281.677,53244.28863,14174077.07,70628.6535,201088.6207,295100.7148,97360.41548,1120651.267,604332.1429,66034.67689,27190.16312,1348556.355,1406788.247,32840.4554,683107.3819,47788.31857,7923438.746,4058115.651,494928.7323,84839.08876,2429740.281,5941940.039,193943.5421,200361.158,484191.184,282958.0673,81874.42923,25906.5,75924,246940,274290.7483,182.9850128,75924,182.9850128,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(Ra,S)-()-2-Methylhepta-3,4-dienoic Acid",0,"C8 H12 O2",95.5,92,100,937,980,100,0.29,true,true,"w11n17main1",45942,0,"None",0,0,"(Ra,S)-()-2-Methylhepta-3,4-dienoic Acid",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[602384.0958158278,5932,false,0,"(E)-6-Methyl-4-[(tributylstannyl)methylene]benzo[b]thiopyran",176.06604,14.459,2453605,176.06549,92420432,600133,"C11 H12 S",176.06542,176.06549,90.8,79.9,91.8,940,958,1543,0,6278.853028,27665.66556,6197.353584,455675.514,150706.7751,42753.86123,170717.2266,526926.269,145566.7687,1266390.628,615637.7086,1275705.692,200622.137,296774.1246,735608.8221,434214.4432,545305.0401,264119.2149,400978.0077,677366.7777,140345.8174,449939.0709,1163492.516,168704.2527,336993.1298,898090.9618,644454.1221,738693.9166,180124.0448,227059.3428,1623380.537,307605.4193,259127.2493,468327.534,496067.8725,442076.757,228147.5066,893674.1638,719975.6168,612589.2105,364331.056,255633.8357,451127.0189,781957.0535,389151.854,251632.4032,368325.7832,477701.9767,392924.2372,342140.4515,1045733.915,526170.1786,341271.1828,91306.50203,761471.9614,956254.7269,358867.4002,564344.02,1172188.464,120328.9787,476736.5336,269366.0178,1653160.37,260625.2439,947232.8278,466948.9382,867559.7299,175451.7098,133168.262,417204.5759,890060.8421,126236.3067,7571896.472,442076.757,801734.9345,285979.2322,530985.2559,369937.7404,566385.0959,297125.9694,510453.9042,348687.3439,1505136.637,125005.7814,306288.3899,638610.5214,1032208.847,278680.7734,634299.3387,490348.4245,652837.1156,401748.5285,457886.4842,349585.3784,825417.1219,519878.6371,331282.1397,1333213.955,197740.4017,249561.0026,992781.739,1225465.248,252431.0097,935637.7378,172536.8019,596717.6761,1018176.673,1369484.055,242821.115,381078.3055,314389.2163,220252.9841,204742.6018,412861.3194,0,283531.9763,728670.8952,3427736.047,188875.3777,672120.0547,748568.5086,252225.2992,788621.2762,802930.2511,158032.2742,734553.1304,1690030.034,220702.2876,238869.2258,608981.3168,187366.1878,761121.0542,625340.3176,169662.8233,212965.7576,252961.8663,128353.2558,295842.4335,1458964.298,99179.01763,300704.8065,718760.7197,1353990.61,789393.8991,398766.0964,459932.0707,670312.1173,1469806.772,206537.5357,303821.0519,307174.235,782981.1295,742469.939,424221.4434,78812.75,130335.5,225672.25,181361.4133,124.5815503,130335.5,124.5815503,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"(E)-6-Methyl-4-[(tributylstannyl)methylene]benzo[b]thiopyran",0,"C11 H12 S",90.8,79.9,91.8,940,958,100,0.39,true,true,"w11n17main1",122180,0,"None",0,0,"(E)-6-Methyl-4-[(tributylstannyl)methylene]benzo[b]thiopyran",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[5153561.531139737,3494,false,0,"2-(6'-methoxy-2',2'-dimethyl-1',2',3',4'-tetrahydronaphthalen-1'-yl)-2-methylpropan-1-ol",189.16429,16.014,13740457,189.16374,765754679,4972433,"C17 H24 O2",260.17708,0,77.7,97.2,100,941,946,1637,0,687059.8707,0,0,15278521.54,1520733.85,3894759.519,0,25461332.2,1901911.575,8039068.982,12400139.92,0,0,0,6140052.012,3251457.147,3797102.282,3485308.908,32470.73503,19301583.41,39891.69413,5706919.494,6161822.133,2412196.756,6503840.567,0,13798390.25,0,3641205.595,5035927.18,6945710.231,9110353.77,3862539.957,6951452.755,27658.64594,3538790.915,1396796.934,16658817.12,18752431.56,2232157.582,0,0,0,5577256.483,0,9188222.828,11488424.03,9449732.898,1586398.941,1589861.868,6301553.985,10148405.79,0,1578369.478,0,0,3837492.349,5430463.423,0,9125349.689,3671936.859,1535838.088,6564679.824,7589883.008,0,15986712.85,7663184.572,3610474.331,0,1498244.64,15937726.05,3415361.93,6771013.171,10074267.44,0,3145155.416,3641205.595,4968818.076,0,5493896.082,11804645.16,6119142.437,12308993.75,1507929.814,1605475.06,2683440.571,3465296.712,3086716.642,22504603.37,11653858.82,7226444.826,2061494.168,5070380.988,1157876.959,6783273.053,1131983.065,3901130.433,3298577.632,0,5491181.028,15936330.35,9961182.79,0,2144128.331,3958179.754,1473377.378,7803208.453,2409393.881,2266801.228,12146624.37,0,4164595.312,1996396.745,5625827.744,0,17625635.47,3667938.851,8076348.254,3614472.34,4303504.684,8176994.709,2802438.378,0,13209212.22,1480149.075,1943405.676,100447.716,5977748.241,1692463.205,2885969.938,40158210.11,0,3256520.858,2194038.349,0,5444763.641,1318139.175,4947423.381,3702393.683,1064206.858,0,6204967.761,4210790.235,4206187.1,4258484.561,3054438.84,1158271.56,5886883.814,1793194.416,0,11045981.27,6626480.502,7048288.429,8151632.165,831382.75,1451756.5,2652193,2086555.637,96.54629232,1451756.5,96.54629232,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,false,"2-(6'-methoxy-2',2'-dimethyl-1',2',3',4'-tetrahydronaphthalen-1'-yl)-2-methylpropan-1-ol",0,"C17 H24 O2",77.7,97.2,100,941,946,100,0,false,false,"w11n17main1",397825,0,"None",0,0,"2-(6'-methoxy-2',2'-dimethyl-1',2',3',4'-tetrahydronaphthalen-1'-yl)-2-methylpropan-1-ol",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[1639842.171489735,5168,false,0,"9-Bis[bis(ethynyl)methylene]-9H-fluorene",226.07828,26.991,302706,113.05969,242697574,1575958,"C18 H10",226.0777,226.07773,92.5,83.9,100,946,946,2455,0,226235.1476,113781.4408,116194.069,74358.76553,244797.1831,415889.5786,1105975.957,199804.9679,1080022.584,7226225.175,1860486.514,13924627.67,716693.7296,491997.1842,337030.122,2476239.845,15673.42723,5688024.886,622517.2269,18031568.94,66860.06301,1163981.599,961659.9182,257138.2619,135998.0268,291468.4316,482150.7742,766653.5511,1906749.862,557257.2055,780020.5902,872221.3761,543620.8832,879708.3306,193857.3833,320883.9854,61462.77606,1846977.831,362362.4199,306687.0244,875775.0308,341318.6037,2830435.221,1304288.402,26138.12375,553880.1299,538902.6013,855431.2455,29353.84317,674533.5851,1005633.967,5210953.293,908045.7742,567670.4194,1118034.318,517689.2467,283429.5001,546843.9917,208294.3302,111791.7864,518271.5152,440003.3654,1100092.936,5977673.123,1933326.606,363132.6599,462080.7312,2285580.237,53625.04624,204455.115,2145817.025,1141711.983,32110.09923,1167841.586,1679238.584,409814.433,39424.11726,39503.6507,548398.4033,9917591.26,6029363.224,83901.6673,204474.371,1242642.792,278226.3471,106948.0127,2013123.048,482768.0156,271374.2348,329479.5349,4214948.372,148433.8816,61204.04548,642361.0515,925386.9361,1266105.159,75777.01992,3933277.615,557257.2055,34535.86932,340785.5201,36305834.16,557459.0981,717382.5036,479317.4877,121741.2336,1642735.791,20231412.03,151098.252,1066442.561,589645.6718,1939089.646,5122657.471,360026.496,517563.5339,251114.7425,501842.066,1857326.004,48954.28003,362505.488,356714.8635,4529683.691,73002.67622,1128985.807,124524.2536,69417.75796,2437380.242,1588940.117,859192.2969,926319.1164,1089546.54,1845915.22,1734364.341,317319.5046,817180.5675,781827.2814,37140.57966,548990.9729,3280179.545,2715180.414,266709.6535,2270601.477,1705078.038,592456.8154,2317786.543,417493.1751,835802.5132,258909.6152,196666.8594,124333.1269,55537.82228,276728.312,166422.3401,565523.4382,75797,176696,416144.5,508677.2384,245.3712142,176696,245.3712142,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"9-Bis[bis(ethynyl)methylene]-9H-fluorene",0,"C18 H10",92.5,83.9,100,946,946,100,0.12,true,true,"w11n17_w11del",1351,0,"None",0,0,"9-Bis[bis(ethynyl)methylene]-9H-fluorene",0,"Medium","0","Not CAS Number Format","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]
[4117726.638453841,3728,false,0,"1,3-Cyclopentadiene, 5-ethenyl-5-methyl-",106.07833,33.563,808752,118.07775,655703359,4257814,"C8 H10",106.0777,106.07778,96.7,94.2,100,951,990,0,0,119078.7817,69910.34922,57251.53397,200035.7248,220871.2846,1085462.041,2733790.101,0,0,1879388.64,17683936.81,2040102.297,637136.8398,23750963.28,4007893.833,329822.719,147355.7859,1358688.476,67398179.11,2216133.885,501073.1191,3426122.102,0,3458971.06,548227.877,302193.0371,684714.5781,1708731.571,588257.2711,477914.365,885088.3095,267082.2729,187904.102,726959.7737,1254611.752,329706.5511,132672.3474,3612518.562,742597.9761,1373186.937,243997.9455,1509785.585,3144757.191,14206531.91,23308993.08,1750576.381,20583184.15,1216836.275,225494.1304,1214024.085,375433.8062,380696.434,1058255.468,7714633.501,2003301.991,291072.4169,538006.8034,4427373.044,2712208.543,687451.2237,158264.2745,1072221.672,2706078.142,456459.7573,243980.0798,845991.1186,5307872.704,475667.0572,924185.5004,467829.1007,2454512.04,633502.828,829166.5073,2701722.849,20954419.92,113906.8055,299997.5582,602607.6722,506745.2928,0,337391.1277,2204659.931,1594667.185,238831.9166,748280.2837,442892.1834,1703985.631,141505.632,885088.3095,1219851.275,1303215.837,136539.5912,1030367.633,2519230.993,32265575.15,4109428.43,1593094.033,2442109.097,38577391.18,800575.097,862608.4692,475453.9293,11213204.68,12570020.05,379291.902,1557582.628,1340428.369,568357.285,516486.9731,1298437.076,593056.3932,977495.3733,342035.6712,373058.6,55622095.65,297472.717,0,4086496.259,264757.0175,920693.7464,727269.9195,281110.79,4219297.78,382493.1713,0,886548.9774,1263980.267,802225.7296,2196318.584,86033099.74,1008662.038,2175496.167,1873493.646,142980.328,1218227.622,4034831.629,231046.4736,933834.6611,38186864.15,507865.9783,883627.6416,2170733.961,0,935750.9595,1565884.934,73622.55569,1490882.235,1094746.65,241300.709,501691.0123,298082.263,464019.4388,54484.03454,96495.8202,145730.25,347375,771682.25,1610533.604,303.1824878,347375,303.1824878,false,"NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA",true,true,"1,3-Cyclopentadiene, 5-ethenyl-5-methyl-","118161-02-7","C8 H10",96.7,94.2,100,951,990,100,0.75,true,true,"w11n17main1",11792,788,"UnspecifiedColumnType",0,0,"1,3-Cyclopentadiene, 5-ethenyl-5-methyl-","118161-02-7","Medium","118161-02-7","NO_MATCH","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0,"-","-","-",0,0,"-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-",0]

{"sheet":"EPA_High","index":1,"n_rows":43,"n_cols":58,"rows_kept":43,"merged":[[0,0,2,0],[0,4,0,18],[0,19,0,20],[0,21,0,22],[1,4,1,6],[1,7,2,7],[1,8,2,8],[1,9,2,9],[1,10,2,10],[1,11,2,11],[1,12,1,13],[1,14,1,15],[1,16,2,16],[1,17,2,17],[1,18,2,18],[1,19,2,19],[1,20,2,20],[1,21,2,21],[1,22,2,22]]}
["CAS",{"$nulls":3},"Human Health Effects",{"$nulls":14},"Ecotoxicity",null,"Fate"]
[{"$nulls":4},"Acute Mammalian Toxicity",null,null,"Carcinogenicity","Genotoxicity Mutagenicity","Endocrine Disruption","Reproductive","Developmental","Neurotoxicity",null,"Systemic Toxicity",null,"Skin Sensitization","Skin Irritation","Eye Irritation","Acute Aquatic Toxicity","Chronic Aquatic Toxicity","Persistence","Bioaccumulation"]
[null,"Score",null,null,"Oral","Inhalation","Dermal",{"$nulls":5},"Repeat Exposure","Single Exposure","Repeat Exposure","Single Exposure",{"$nulls":7},"INPUT","FOUND_BY","DTXSID","PREFERRED_NAME","MOLECULAR_FORMULA","MS_READY_SMILES","WIKIPEDIA_ARTICLE","BIOCONCENTRATION_FACTOR_TEST_PRED","BOILING_POINT_DEGC_TEST_PRED","48HR_DAPHNIA_LC50_MOL/L_TEST_PRED","DENSITY_G/CM^3_TEST_PRED","DEVTOX_TEST_PRED","96HR_FATHEAD_MINNOW_MOL/L_TEST_PRED","FLASH_POINT_DEGC_TEST_PRED","MELTING_POINT_DEGC_TEST_PRED","AMES_MUTAGENICITY_TEST_PRED","ORAL_RAT_LD50_MOL/KG_TEST_PRED","SURFACE_TENSION_DYN/CM_TEST_PRED","THERMAL_CONDUCTIVITY_MW/(M*K)_TEST_PRED","TETRAHYMENA_PYRIFORMIS_IGC50_MOL/L_TEST_PRED","VISCOSITY_CP_CP_TEST_PRED","VAPOR_PRESSURE_MMHG_TEST_PRED","WATER_SOLUBILITY_MOL/L_TEST_PRED","ATMOSPHERIC_HYDROXYLATION_RATE_(AOH)_CM3/MOLECULE*SEC_OPERA_PRED","BIOCONCENTRATION_FACTOR_OPERA_PRED","BIODEGRADATION_HALF_LIFE_DAYS_DAYS_OPERA_PRED","BOILING_POINT_DEGC_OPERA_PRED","HENRYS_LAW_ATM-M3/MOLE_OPERA_PRED","OPERA_KM_DAYS_OPERA_PRED","OCTANOL_AIR_PARTITION_COEFF_LOGKOA_OPERA_PRED","SOIL_ADSORPTION_COEFFICIENT_KOC_L/KG_OPERA_PRED","OCTANOL_WATER_PARTITION_LOGP_OPERA_PRED","MELTING_POINT_DEGC_OPERA_PRED","VAPOR_PRESSURE_MMHG_OPERA_PRED","WATER_SOLUBILITY_MOL/L_OPERA_PRED"]
["114-26-1","High","Propoxur","C11H15NO3","VH","VH","H","VH","H","H","M","H","M","H","H","","I","L","H","VH","VH","L","L","114-26-1","CAS-RN","DTXSID7021948","Propoxur","C11H15NO3","CNC(=O)OC1=CC=CC=C1OC(C)C","Y",4.9545,285.351,4.54988e-06,1.082,0.684,3.78443E-5,142.63,84.049,0.614,0.000988553,"-","-",0.000412098,16.1436,3.06196e-05,0.00252348,1.50794e-11,8.30227,4.64523,287.594,1.4229e-09,0.0960024,9.21559,46.9061,1.52408,87.0086,9.65906e-06,0.0088806]
["3380-34-5","High","Triclosan","C12H7Cl3O2","L","VH","L","I","VH","H","M","M","H","I","M","I","I","H","H","VH","VH","H","L","3380-34-5","CAS-RN","DTXSID5032498","Triclosan","C12H7Cl3O2","OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1","Y",1698.24,369.746,8.31764e-07,1.523,0.627,4.06443e-07,168.637,140.93,0.402,4.67735e-05,"-",131.73,2.68534e-06,"-",4.52898e-06,4.53942e-06,1.74396e-11,52.8927,4.50619,342.341,6.52446e-10,0.444158,10.5464,36570.1,4.7624,55.8132,2.45759e-07,3.44842e-05]
["106-44-5","High","p-Cresol","C7H8O","VH","VH","H","H","VH","H","H","H","H","H","H","H","I","VH","VH","H","H","L","L","106-44-5","CAS-RN","DTXSID7021869","p-Cresol","C7H8O","CC1=CC=C(O)C=C1","Y",9.39723,185.666,6.08135e-05,1.048,0.214,0.000266073,74.625,46.09,0.06,0.00483059,38.2,147.822,0.00097051,5.63638,0.21677,0.141579,4.73624e-11,15.2196,5.33887,201.807,9.85361e-07,0.194515,5.04869,496.019,1.94036,35.2566,0.109758,0.197921]
["129-00-0","High","Pyrene","C16H10","M","VH","","I","VH","H","","L","","","M","","","","","VH","L","H","VH","129-00-0","CAS-RN","DTXSID3024289","Pyrene","C16H10","C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1","Y",529.663,415.21,2.51768e-06,1.234,0.342,1.09901E-6,189.229,173.707,0.842,0.00704693,41.97,122.478,1.90985E-5,"-",8.6896e-08,1.2106E-7,4.97948e-11,1557.35,237.283,393.972,1.18743e-05,2.08881,8.855,79473.2,4.88312,152.013,4.47547e-06,7.22051e-07]
["95-68-1","High","2,4-Dimethylaniline","C8H11N","VH","VH","VH","VH","VH","H","I","L","","","M","H","I","L","H","H","H","M","L","95-68-1","CAS-RN","DTXSID8026305","2,4-Dimethylaniline","C8H11N","CC1=CC(C)=C(N)C=C1","Y",8.43335,219.463,2.06063E-5,1.012,0.223,0.000644169,91.605,41.159,0.784,0.00580764,"-",154.729,0.00092683,3.2434,0.00743019,0.0177419,2.60185e-11,3.82333,3.30804,216.475,1.93378e-06,0.108455,6.47551,77.0482,1.68532,-13.1838,0.129608,0.0291132]
["140-29-4","High","Benzyl cyanide","C8H7N","VH","VH","H","I","L","L","I","L","H","I","H","I","I","L","H","M","I","H","L","140-29-4","CAS-RN","DTXSID2021492","Benzyl cyanide","C8H7N","N#CCC1=CC=CC=C1","Y",7.70903,233.978,7.8343e-05,1.015,0.352,3.22849E-4,103.021,-7.335,0.01,0.00870964,37.944,154.823,0.00190108,1.78238,0.282488,0.0296483,3.2277e-12,8.93258,6.42517,233.538,8.33583e-07,0.159154,4.31228,76.2859,1.55957,-23.4215,0.0896907,0.000871024]
["4957-14-6","High","1-Methyl-4-[(4-methylphenyl)methyl]benzene","C15H16","M","VH","","","I","H","","H","","","","","","","","VH","","","M","4957-14-6","CAS-RN","DTXSID90197852","1-Methyl-4-[(4-methylphenyl)methyl]benzene","C15H16","CC1=CC=C(CC2=CC=C(C)C=C2)C=C1","-",500.035,292.007,3.43558e-06,0.961,0.767,7.97995e-06,128.549,35.12,"-",0.0165196,34.804,129.706,1.60694e-05,9.39723,0.000812831,1.15345e-05,2.07351E-11,1083.92,22.402,286.047,5.21435E-4,1.5217,7.43697,800.558,5.17897,27.9961,0.00403803,4.39813e-06]
["122-78-1","Medium","Phenylacetaldehyde","C8H8O","M","VH","L","","VH","L","","L","","","","","H","H","H","L","","L","L","122-78-1","CAS-RN","DTXSID3021483","Phenylacetaldehyde","C8H8O","O=CCC1=CC=CC=C1","Y","-",192.858,0.000139316,0.992,0.398,1.61065E-4,85.198,11.281,0.66,0.0158125,34.333,147.162,0.000568853,1.76198,0.428549,0.0628058,2.76275E-11,9.15416,6.42286,195.175,2.8158E-5,0.147461,4.42376,63.1854,1.77993,32.6247,0.393199,0.0259986]
["1192-62-7","Medium","2-Acetylfuran","C6H6O2","H","VH","H","","H","L","","H","","","","","","","H","L","","L","L","1192-62-7","CAS-RN","DTXSID0051601","2-Acetylfuran","C6H6O2","CC(=O)C1=CC=CO1","Y",4.66659,151.412,1.21619E-3,1.07,0.552,0.00107647,45.907,32.031,0.298,"-",35.509,166.124,0.00526017,1.80302,2.82488,0.276058,5.16873e-12,5.28206,4.64229,175.063,1.61884E-7,0.178766,3.48146,27,0.520816,32.8053,2.68469,0.366187]
["110-13-4","Medium","2,5-Hexanedione","C6H10O2","M","VH","L","I","L","H","H","L","H","","H","M","I","I","H","L","","L","L","110-13-4","CAS-RN","DTXSID8030138","2,5-Hexanedione","C6H10O2","CC(=O)CCC(C)=O","Y",2.2856,170.83,0.00420727,0.953,0.498,0.00719449,51.077,-9.884,0.185,0.0129122,30.53,151.56,0.00717794,0.826038,3.31131,0.625173,7.12308e-12,2.35846,4.57946,161.341,6.56868e-07,0.0964455,3.7255,12.9012,-0.266854,-5.666,2.39582,0.874242]
["112-05-0","Medium","Nonanoic acid","C9H18O2","L","VH","L","I","L","L","I","L","I","I","M","I","I","H","H","M","M","L","L","112-05-0","CAS-RN","DTXSID3021641","Nonanoic acid","C9H18O2","CCCCCCCCC(O)=O","Y",13.59,255.56,0.000616595,0.95,0.83,3.71535e-05,125.3,25.93,0.06,0.0380189,28.6,148.94,0.000331131,5.55904,0.00109648,0.00245471,1.14073E-11,2.98606,4.98751,254.606,1.68863E-6,0.244636,7.78065,309.048,3.4195,12.5209,1.65274E-3,0.00179067]
["108-88-3","Medium","Toluene","C7H8","M","VH","L","L","VH","H","H","H","H","H","M","M","L","H","H","H","H","H","L","108-88-3","CAS-RN","DTXSID7021360","Toluene","C7H8","CC1=CC=CC=C1","Y",66.55,128.36,2.29087E-4,0.9,0.28,0.000338844,28.26,-33.64,-0.02,0.0169824,29.18,132.42,1.12202E-3,0.676083,23.9883,0.0040738,5.97336e-12,8.33841,2.0148,110.67,0.00662645,0.237095,3.49442,117.115,2.72879,-93.283,28.3165,0.00591811]
["119-64-2","Medium","Tetralin","C10H12","M","VH","L","I","L","L","I","L","","","M","","L","H","H","H","H","L","M","119-64-2","CAS-RN","DTXSID1026118","Tetralin","C10H12","C1CCC2=C(C1)C=CC=C2","Y",254.683,214.711,5.71479e-05,0.978,0.455,4.13047e-05,74.77,-5.572,"-",0.0328852,32.667,126.823,0.000336512,2.35505,0.54325,0.000855067,3.41073e-11,338.818,8.03385,207.452,0.00265481,5.6089,5.00813,1687.71,3.4912,-35.4655,0.367214,0.000348236]
[]
["95-68-1","High","2,4-Dimethylaniline","C8H11N","VH","VH","VH","VH","VH","H","I","L","","","M","H","I","L","H","H","H","M","L","95-68-1","CAS-RN","DTXSID8026305","2,4-Dimethylaniline","C8H11N","CC1=CC(C)=C(N)C=C1","Y",8.43335,219.463,2.06063E-5,1.012,0.223,0.000644169,91.605,41.159,0.784,0.00580764,"-",154.729,0.00092683,3.2434,0.00743019,0.0177419,2.60185e-11,3.82333,3.30804,216.475,1.93378e-06,0.108455,6.47551,77.0482,1.68532,-13.1838,0.129608,0.0291132]
["51-03-6","Medium","Piperonyl butoxide","C19H30O5","L","I","VH","H","L","H","L","M","","","M","","","M","H","VH","VH","L","H","51-03-6","CAS-RN","DTXSID1021166","Piperonyl butoxide","C19H30O5","CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC","Y",18.55,393.28,2.13796e-05,1.07,0.43,3.71535e-05,184.87,51.66,0.08,0.0074131,16.3,147.13,5.7544e-06,21.8776,7.07946e-07,7.24436e-05,1.67071e-11,126.718,4.73111,324.413,2.24443E-6,4.19104,10.9118,10456.6,4.74542,34.3548,8.62437e-08,4.24338E-5]
["95-16-9","High","Benzothiazole","C7H5NS","H","H","VH","I","L","L","I","L","I","I","H","I","H","M","M","M","M","H","L","95-16-9","CAS-RN","DTXSID7024586","Benzothiazole","C7H5NS","S1C=NC2=CC=CC=C12","Y",12.0226,227.42,2.07491E-4,1.264,0.452,"-",80.289,31.405,0.373,0.00320627,"-","-",0.000959401,2.97852,0.0316957,0.0119674,1.65914e-11,7.5876,8.45454,230.987,9.62728e-06,0.137998,5.07535,534.463,2.01051,2.21419,0.0160683,0.031616]
["105-31-7","Medium","Hex-1-yn-3-ol","C6H10O","H","","VH","","VH","L","","H","","","","","H","","","L","","L","L","105-31-7","CAS-RN","DTXSID4051536","Hex-1-yn-3-ol","C6H10O","CCCC(O)C#C","-","-",135.986,"-",0.903,0.564,0.000990832,45.548,-22.227,0.833,0.00140929,29.55,140.51,0.00365595,2.95121,12.5026,0.27227,9.56408e-12,3.96405,3.56051,141.922,7.61923e-06,0.116722,4.25885,12.6772,0.67023,-79.5008,5.44032,0.388251]
[]
["141-79-7","Medium","4-Methylpent-3-en-2-one","C6H10O","M","M","M","I","L","L","M","M","","","H","M","I","H","VH","L","","L","L","141-79-7","CAS-RN","DTXSID1029170","4-Methylpent-3-en-2-one","C6H10O","CC(C)=CC(C)=O","Y",3.25087,133.915,0.000479733,0.866,0.6,1.11944E-3,34.851,-49.084,0.019,0.0199526,"-","-",0.000275423,"-",5.67545,0.136458,1.05883E-11,4.8957,5.23867,130.198,2.05778e-05,0.156897,3.36291,34.3413,1.06352,-59.1581,8.28635,0.293528]
["65-85-0","High","Benzoic acid","C7H6O2","M","L","M","I","VH","H","M","L","","I","H","M","I","H","VH","M","L","L","L","65-85-0","CAS-RN","DTXSID6020143","Benzoic acid","C7H6O2","OC(=O)C1=CC=CC=C1","Y",1.47571,252.299,0.000887156,1.201,0.337,0.000831764,124.866,122.5,-0.023,0.0103276,"-","-",3.87258E-3,"-",0.000809096,0.0501187,2.28764e-12,3.72629,6.6407,249.237,2.66769e-07,0.262557,5.90758,31.66,1.87054,122.349,0.00070699,0.331734]
["88-60-8","High","2-Tert-Butyl-5-methylphenol","C11H16O","M","I","M","I","VH","H","H","M","","M","M","M","I","VH","VH","H","H","H","L","88-60-8","CAS-RN","DTXSID2026529","2-Tert-Butyl-5-methylphenol","C11H16O","CC1=CC(O)=C(C=C1)C(C)(C)C","-",188.799,243.102,1.58125e-05,0.968,0.981,4.02717e-05,101.624,29.972,0,0.00704693,31.935,126.328,7.67361e-05,5.54626,0.0238781,0.000625173,2.08087E-11,71.6436,3.08323,233.817,6.49185e-07,0.0952136,7.71281,3657.03,3.34298,46.4573,0.0104535,0.00465193]
["111-14-8","Medium","Heptanoic acid","C7H14O2","L","I","M","I","L","L","L","L","I","","L","","I","VH","VH","M","L","L","L","111-14-8","CAS-RN","DTXSID2021600","Heptanoic acid","C7H14O2","CCCCCCC(O)=O","Y",3.34965,222.171,0.000488652,0.961,0.86,0.000192309,99.592,-3.669,0.068,0.0157761,27.374,145.694,0.0012735,4.14,0.0430527,0.0174985,8.09467e-12,3.34438,4.75157,222.185,8.16225e-07,0.142598,5.75141,52.409,2.41917,-7.43868,0.0106309,0.0218132]
["80-46-6","High","4-(2-Methylbutan-2-yl)phenol","C11H16O","M","I","M","I","L","H","M","M","I","H","H","M","H","VH","VH","H","H","L","L","80-46-6","CAS-RN","DTXSID8021771","4-(2-Methylbutan-2-yl)phenol","C11H16O","CCC(C)(C)C1=CC=C(O)C=C1","-",28.5759,243.581,2.19786E-5,0.981,0.74,7.16143e-05,104.386,52.229,0.011,0.0163682,31.81,132.147,1.08143E-4,6.29506,0.0126183,0.00323594,2.94712e-11,94.5043,3.73086,262.12,6.21129e-07,0.156106,7.71285,3127.36,3.49129,94.4421,0.00205254,1.02885E-3]
["770-35-4","High","1-Phenoxy-2-propanol","C9H12O2","L","L","L","I","L","L","L","H","I","","M","M","L","L","VH","L","L","L","L","770-35-4","CAS-RN","DTXSID9027312","1-Phenoxy-2-propanol","C9H12O2","CC(O)COC1=CC=CC=C1","-",8.45279,247.954,0.000304789,1.053,0.785,0.000931108,103.709,43.713,0.241,0.0157761,34.894,153.555,0.00229615,7.8343,0.0106905,0.0447713,4.24335E-11,5.02442,3.54734,242.721,2.82319e-07,0.0922141,7.48416,108.158,1.60998,37.6651,0.0119076,0.0726063]
["25154-52-3","Medium","n-Nonylphenol","-","M","L","L","I","I","H","H","M","","","M","M","L","VH","VH","VH","VH","L","L","25154-52-3","CAS-RN","DTXSID3021857","n-Nonylphenol","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-","-"]
["112-18-5","High","N,N-Dimethyldodecan-1-amine","C14H31N","M","I","L","I","L","H","M","L","I","","M","","H","VH","VH","H","VH","L","L","112-18-5","CAS-RN","DTXSID1026906","N,N-Dimethyldodecan-1-amine","C14H31N","CCCCCCCCCCCCN(C)C","-",81.2831,267.17,8.66962e-06,0.769,0.339,1.84502E-6,94.68,-15.552,0.095,0.00579429,24.953,137.725,5.61048e-06,3.35738,0.000753356,1.2106e-05,2.82442e-11,1362.33,4.84966,259.937,0.000706254,23.5427,6.90709,2690.76,3.95423,21.2443,0.0076951,0.000304907]
["2687-91-4","Medium","1-Ethyl-2-pyrrolidinone","C6H11NO","M","I","L","I","L","L","H","H","I","I","M","I","H","H","VH","L","","L","L","2687-91-4","CAS-RN","DTXSID3044413","1-Ethyl-2-pyrrolidinone","C6H11NO","CCN1CCCC1=O","-",1.80717,211.004,0.000709578,1.009,0.772,0.00443609,82.972,11.611,0.227,0.0127057,"-",154.917,0.0209411,3.6141,0.114551,0.671429,7.95511e-12,2.63445,4.64017,213.622,1.54102e-08,0.069204,4.43147,60.9998,-0.0421373,4.13623,1.62513,3.51621]
["79-92-5","Medium","Camphene","C10H16","L","I","L","I","L","L","I","M","I","I","M","I","L","L","VH","H","VH","L","M","79-92-5","CAS-RN","DTXSID8026488","Camphene","C10H16","CC1(C)C2CCC(C2)C1=C","Y",540.754,155.068,3.91742e-05,0.875,0.776,2.89068e-05,37.914,51.243,"-",0.0363078,28.742,111.855,0.000210863,1.43219,5.39511,0.000100693,5.33254e-11,947.968,4.73389,159.16,0.0602424,9.09149,4.47666,2663.67,4.21778,52.2012,2.5268,3.28699e-05]
["89-83-8","Medium","Thymol","C10H14O","M","I","L","I","VH","H","L","H","I","I","I","I","I","VH","VH","H","H","L","L","89-83-8","CAS-RN","DTXSID6034972","Thymol","C10H14O","CC(C)C1=CC=C(C)C=C1O","Y",24.6037,226.55,2.30144e-05,0.986,0.931,7.8343e-05,96.373,25.779,0.012,0.00429536,33.92,135.017,1.50314E-4,8.57038,0.012942,0.00855067,8.06683e-11,27.5159,3.07499,232.327,7.52836e-07,0.0860846,7.59252,2855.11,3.301,50.8465,0.00225336,5.54463E-3]
["69-72-7","High","Salicylic acid","C7H6O3","M","I","L","I","VH","H","M","M","H","H","","","H","H","VH","L","M","L","L","69-72-7","CAS-RN","DTXSID7026368","Salicylic acid","C7H6O3","OC(=O)C1=C(O)C=CC=C1","Y",1.18,275.63,0.000616595,1.37,0.2,0.000707946,146.19,151.68,-0.04,0.0047863,30.5,217.22,0.0047863,1.02329,0.000112202,0.060256,3.63799e-12,4.16166,4.0765,255.158,8.79951e-08,0.101332,7.4432,37.6361,2.26129,158.065,8.14198e-05,0.107225]
["616-45-5","High","2-Pyrrolidinone","C4H7NO","M","","L","","L","L","L","M","","","L","","","M","VH","L","L","L","L","616-45-5","CAS-RN","DTXSID8027246","2-Pyrrolidinone","C4H7NO","O=C1CCCN1","Y",0.669885,221.234,1.11173E-3,1.041,0.798,0.00598412,96.347,38.289,0.028,0.0195434,"-",163.341,0.0479733,7.49894,0.0269153,1.25893,7.73186e-12,1.32915,4.26634,244.92,7.57633e-07,0.140812,4.89818,12.1199,-0.850261,23.0958,0.00960212,11.6514]
["106-44-5","High","p-Cresol","C7H8O","VH","VH","H","H","VH","H","H","H","H","H","H","H","I","VH","VH","H","H","L","L","106-44-5","CAS-RN","DTXSID7021869","p-Cresol","C7H8O","CC1=CC=C(O)C=C1","Y",9.39723,185.666,6.08135e-05,1.048,0.214,0.000266073,74.625,46.09,0.06,0.00483059,38.2,147.822,0.00097051,5.63638,0.21677,0.141579,4.73624e-11,15.2196,5.33887,201.807,9.85361e-07,0.194515,5.04869,496.019,1.94036,35.2566,0.109758,0.197921]
["286-20-4","Medium","Cyclohexene oxide","C6H10O","M","M","H","I","VH","L","I","L","I","I","I","I","I","VH","VH","L","","L","L","286-20-4","CAS-RN","DTXSID6024880","Cyclohexene oxide","C6H10O","C1CCC2OC2C1","Y","-",142.595,0.000514044,1.076,0.478,1.77011E-4,33.5,38.534,0.266,3.55631E-3,31.579,"-","-",0.966051,26.7301,0.206538,1.05516E-11,4.55979,4.13917,131.436,4.07609e-05,0.523313,3.65555,80.8965,1.2609,-24.2603,23.8736,0.474556]
["88-09-5","Medium","2-Ethylbutyric acid","C6H12O2","L","I","H","I","L","L","M","M","I","I","L","I","I","H","VH","M","L","L","L","88-09-5","CAS-RN","DTXSID2041418","2-Ethylbutyric acid","C6H12O2","CCC(CC)C(O)=O","-",2.66073,187.581,0.000578096,0.975,0.818,0.00077983,82.265,6.592,-0.041,0.0296483,25.813,140.688,0.00250035,2.77971,0.110662,0.11508,6.70839e-12,3.546,4.44536,194.03,8.42021e-07,0.0815613,4.7556,52.1375,1.68158,-31.1618,0.188054,0.15429]
["107-92-6","Medium","Butanoic acid","C4H8O2","M","I","H","I","VH","L","I","H","I","","I","M","I","VH","VH","M","L","L","L","107-92-6","CAS-RN","DTXSID8021515","Butanoic acid","C4H8O2","CCCC(O)=O","Y",1.41,166.92,0.00114815,1.03,0.82,0.0020893,75.63,25.45,0.06,0.0229087,26.57,147.46,5.88844E-3,1.8197,0.331131,0.562341,2.39874e-12,3.71637,4.27463,163.743,5.3657e-07,0.0909965,4.23463,14.5565,0.790824,-5.98002,1.6335,0.667063]
["108-95-2","Medium","Phenol","C6H6O","H","H","H","H","H","H","H","H","H","H","M","H","H","VH","VH","H","H","L","H","108-95-2","CAS-RN","DTXSID5021124","Phenol","C6H6O","OC1=CC=CC=C1","Y",7.60326,176.783,7.90679e-05,1.125,0.58,0.00041115,61.528,29.164,0.246,0.00461318,36.597,150.008,1.39959E-3,5.39511,0.151356,0.294442,2.63924e-11,17.3621,4.59014,181.892,3.36246e-07,0.234529,4.79538,27.0339,1.46171,40.7902,0.348397,0.91429]
["62-53-3","Medium","Aniline","C6H7N","H","H","H","VH","H","L","M","L","H","H","H","H","H","H","VH","VH","VH","L","L","62-53-3","CAS-RN","DTXSID8020090","Aniline","C6H7N","NC1=CC=CC=C1","Y",5.3827,192.271,3.1842e-05,1.108,0.529,8.6896E-4,98.93,39.006,0.358,0.00399945,38.342,164.772,0.00218273,2.62422,0.319154,0.277332,1.10779E-10,1.62983,5.59717,184.227,2.01854e-06,0.166024,4.93619,39.8649,0.901937,-5.91511,0.487348,0.385699]
["122-39-4","High","Diphenylamine","C12H11N","H","H","H","H","VH","L","H","L","","H","H","M","I","L","VH","VH","VH","H","M","122-39-4","CAS-RN","DTXSID4021975","Diphenylamine","C12H11N","N(C1=CC=CC=C1)C1=CC=CC=C1","Y",72.277,293.065,3.19154e-05,1.059,0.527,3.14051e-05,137.202,41.34,0.186,0.0103039,"-",147.634,1.13763E-4,10.6414,0.000712853,0.000557186,1.92492e-10,150.969,6.65386,302.031,7.36032e-08,2.22983,7.65602,604.842,3.49877,52.8997,0.00066696,0.000258725]
["526-75-0","High","2,3-Dimethylphenol","C8H10O","VH","","H","H","L","H","","H","","","","","","VH","VH","L","H","L","L","526-75-0","CAS-RN","DTXSID6025143","2,3-Dimethylphenol","C8H10O","CC1=C(C)C(O)=CC=C1","-",10.8393,213.437,6.35331e-05,1.036,0.719,1.92752E-4,82.589,45.97,0.048,1.71396E-3,36.031,142.679,0.000716143,6.23735,0.094189,0.0481948,8.01166e-11,9.11215,4.07234,213.895,8.22745e-07,0.110412,6.06675,432.785,2.47591,72.9268,0.0885493,0.0328256]