1CCL4 CARBON-TETRACHLORIDE 6.894101219.580227.170 -20 101Y2 0 2CCL3F TRICHLOROFLUOROMETHANE 6.884301043.010236.860 -33 27Y2 0 3CCL2F2 DICHLORODIFLUOROMETHANE 6.68619 782.072235.377-119 -30Y6 0 4CCLF3 CHLOROTRIFLUOROMETHANE 6.35109 522.061231.677-150 -81Y6 0 5CF4 CARBON-TETRAFLUORIDE 6.97230 540.500260.100-180-125Y1 0 6CO CARBON-MONOXIDE 6.24020 230.270260.010-210-165Y2 0 7CO2 CARBON-DIOXIDE 9.810601347.790273.000-119 -69Y2 0 8COS CARBONYL-SULFIDE 6.90723 804.480250.000-111 -49Y5 0 9CS2 CARBON-DISULFIDE 6.941901168.620241.540 -45 69Y2 0 10CHCL3 CHLOROFORM 6.937101171.200227.000 -13 97Y2 0 11CHCL2F DICHLOROFLUOROMETHANE 6.97575 996.267234.172 -91 9Y6 0 12CHCLF2 CHLORODIFLUOROMETHANE 6.75770 740.390231.860 -48 -33Y2 0 13CHF3 TRIFLUOROMETHANE 7.08860 705.330249.780-128 -82Y4 0 14CHI3 TRIIODOMETHANE 6.59598 1567.8 204 137 254N 19 15CHNS ISOTHIOCYANIC-ACID 0.00000 0.000 0.000 0 0 0 16CH2CL2 DICHLOROMETHANE 7.080301138.910231.460 -44 59Y2 0 17CH2CLF CHLOROFLUOROMETHANE 6.20452 740.39 231.86-55. 12.N 12 18CH2F2 DIFLUOROMETHANE 7.13890 821.700244.700 -82 -32Y4 0 19CH2I2 DIIODOMETHANE 6.942461567.800204.000 83 232Y10 0 20CH2O FORMALDEHYDE 7.15610 957.240243.010 -88 -2Y2 0 21CH2O2 FORMIC-ACID 7.377901563.280247.070 -2 136Y1 0 22CH3BR BROMOMETHANE 6.95970 986.590238.330 -58 53Y2 0 23CH3CL CHLOROMETHANE 6.99440 902.450243.610 -93 -7Y2 0 24CH3F FLUOROMETHANE 7.09760 740.220253.890-132 -64Y2 0 25CH3I IODOMETHANE 6.988001146.340236.660 -13 52Y2 0 26CH3NO2 NITROMETHANE 7.044001291.000209.010 5 136Y2 0 27CH3NO2 METHYL-NITRITE 0.00000 0.000 0.000 0 0 0 28CH3NO3 METHYL-NITRATE 0.00000 0.000 0.000 0 0 0 29CH4 METHANE 6.69561 405.420267.777-181-152Y3 0 30CH4O METHANOL 8.072401574.990238.870 -16 91Y2 0 31CH4S METHANETHIOL 7.031631015.547238.706 -70 25Y3 0 32CH5N METHYLAMINE 7.496901079.150240.240 -61 38Y2 0 33C2CL4 TETRACHLOROETHENE 7.020001415.490221.010 34 187Y2 0 34C2CL6 HEXACHLOROETHANE 7.086331626.945197.048 33 186Y6 0 35C2CL3F3 112TRICHLOROTRIFLUOROETHANE 6.880301099.900227.500 -25 83Y4 0 36C2CL2F4 12DICHLOROTETRAFLUOROETHANE 6.87084 942.336232.632 -95 4Y6 0 37C2CLF5 CHLOROPENTAFLUOROETHANE 6.83330 802.970242.280 -98 -43Y2 0 38C2F4 TETRAFLUOROETHENE 6.89660 683.840245.940-133 -63Y2 0 39C2F6 HEXAFLUOROETHANE 6.79330 657.060246.220-103 -73Y2 0 40C2N2 CYANOGEN 6.43629 576.579182.308 -77 -4Y7 0 41C2HCL3 TRICHLOROETHENE 7.028101315.100230.010 -13 127Y2 0 42C2HCL5 PENTACHLOROETHANE 6.740001378.000197.000 25 162Y4 0 43C2HF3 TRIFLUOROETHENE 5.68715 491.359 227.23-93.-31.N 49 44C2H2 ACETYLENE(ETHYNE) 9.140201232.600280.900-129 -83Y3 0 45C2H2CL2 1,1-DICHLOROETHENE 6.972201099.400237.200 -28 32Y4 0 46C2H2CL2 CIS-1,2-DICHLOROETHENE 7.022301205.400230.600 0 84Y4 0 47C2H2CL2 TRANS-1,2-DICHLOROETHENE 6.965101141.900231.900 -38 85Y4 0 48C2H2CL4 1,1,2,2-TETRACHLOROETHANE 6.631701228.100179.900 25 130Y4 0 49C2H2F2 1,1-DIFLUOROETHENE 6.34918 491.359227.239-140 -86Y7 0 50C2H2F2 CIS-1,2-DIFLUOROETHENE 5.31401 491.359 227.23-78. 2.6N 49 51C2H2F2 TRANS-1,2-DIFLUOROETHENE 5.31401 491.359 227.23-78. 2.6N 49 52C2H2O KETENE 6.95730 803.100238.010-103 -18Y2 0 53C2H3BR BROMOETHYLENE 7.243791219.308264.021 -88 16Y6 0 54C2H3CL CHLOROETHENE 6.49710 783.400230.010 -88 17Y2 0 55C2H3CL3 1,1,2-TRICHLOROETHANE 6.965301351.000217.000 29 155Y2 0 56C2H3CLO ACETYL-CHLORIDE 6.840701062.860217.630 -36 82Y2 0 57C2H3F FLUOROETHENE 6.33949 593.551243.111-149 -72Y6 0 58C2H3F3 1,1,1-TRIFLUOROETHANE 6.90380 788.210243.240 -3 27Y2 0 59C2H3N ACETONITRILE 7.073501279.200224.010 -13 117Y2 0 60C2H4 ETHYLENE 6.74756 585.000255.000-153 -91Y3 0 61C2H4BR2 1,2-DIBROMOETHANE 6.721481280.820201.750 52 131Y4 0 62C2H4CL2 1,1-DICHLOROETHANE 6.985301171.420228.130 -31 79Y2 0 63C2H4CL2 1,2-DICHLOROETHANE 7.025301271.250222.940 -33 100Y2 0 64C2H4F2 1,1-DIFLUOROETHANE 7.03000 910.000244.000 -35 0Y2 0 65C2H4I2 1,2-DIIODOETHANE 6.988341647.100201.000 98 253Y10 0 66C2H4O ETHYLENE-OXIDE 7.270101115.100244.150 -73 37Y2 0 67C2H4O ACETALDEHYDE 7.056501070.600236.010 -63 47Y2 0 68C2H4O2 ACETIC-ACID 7.299601479.020216.820 17 157Y2 0 69C2H4O2 METHYL-FORMATE 7.170401125.200230.560 -48 51Y2 0 70C2H4OS THIOACETIC-ACID 7.74889 1479.02 216.82 40. 106N 68 71C2H4S THIACYCLOPROPANE 7.037251194.370232.420 -35 77Y3 0 72C2H5BR BROMOETHANE 6.920001090.810231.720 -47 60Y2 0 73C2H5CL CHLOROETHANE 6.940001012.780236.680 -73 37Y2 0 74C2H5F FLUOROETHANE 6.97850 854.210246.160-103 -21Y2 0 75C2H5I IODOETHANE 6.959001232.000229.000 30 60Y4 0 76C2H5N ETHYLENIMINE 7.132301133.700210.010 -25 86Y2 0 77C2H5NO2 NITROETHANE 7.587771671.266241.187 -21 114Y6 0 78C2H5NO3 ETHYL-NITRATE 7.163701338.800224.900 0 60Y4 0 79C2H6 ETHANE 6.83452 663.700256.470-143 -75Y3 0 80C2H6O METHYL-ETHER 7.316401025.560256.060 -94 -8Y2 0 81C2H6O ETHYL-ALCOHOL 8.213301652.050231.480 -3 96Y2 0 82C2H6O2 ETHYLENE-GLYCOL 8.794502615.400244.910 91 221Y1 0 83C2H6S METHYL-SULFIDE 6.948791090.755230.799 -47 58Y3 0 84C2H6S ETHANETHIOL 6.952061084.531231.385 -49 56Y3 0 85C2H6S2 METHYL-DISULFIDE 6.977921346.342218.863 6 135Y3 0 86C2H7N ETHYLAMINE 7.386201137.300235.860 -58 43Y2 0 87C2H7N DIMETHYLAMINE 7.063901024.400238.010 -55 37Y2 0 88C3H3N ACRYLONITRILE 6.916301208.300222.010 -18 112Y1 0 89C3H4 ALLENE(PROPADIENE) 5.71370 458.060196.070 -99 -16Y3 0 90C3H4 PROPYNE(METHYLACETYLENE) 6.78485 803.730229.080 -90 -6Y3 0 91C3H4O2 ACRYLIC-ACID 7.192601441.500193.010 42 177Y1 0 92C3H5BR 3-BROMO-1-PROPENE 7.05187 1259.83 232.04 17. 93.N 109 93C3H5CL 3-CHLORO-1-PROPENE 6.938801099.600226.010 -43 77Y2 0 94C3H5CL3 1,2,3-TRICHLOROPROPANE 7.002801484.100204.010 42 197Y1 0 95C3H5I 3-IODO-1-PROPENE 6.969301316.500220.000 20 142Y10 0 96C3H5N PROPIONITRILE 6.930101277.200218.010 -3 132Y2 0 97C3H6 PROPENE 6.81960 785.000247.000-112 -32Y3 0 98C3H6 CYCLOPROPANE 6.88790 856.010246.510 -93 -28Y2 0 99C3H6BR2 1,2-DIBROMOPROPANE 6.891051419.600212.000 50 250Y4 0 100C3H6CL2 1,2-DICHLOROPROPANE 6.965401296.400221.000 15 135Y2 0 101C3H6CL2 1,3-DICHLOROPROPANE 6.971861376.200216.000 34 162Y10 0 102C3H6CL2 2,2-DICHLOROPROPANE 6.948201201.100226.000 -6 105Y10 0 103C3H6I2 1,2-DIIODOPROPANE 6.0765 1507.41 244.7 125 275N 115 104C3H6O PROPYLENE-OXIDE 6.65460 915.310208.290 -48 67Y2 0 105C3H6O ALLYL-ALCOHOL 7.342401271.700188.010 13 127Y1 0 106C3H6O PROPIONALDEHYDE 7.049301154.800229.010 -38 77Y2 0 107C3H6O ACETONE 7.231601277.030237.230 -32 77Y2 0 108C3H6S THIACYCLOBUTANE 7.016671321.331224.513 -5 120Y3 0 109C3H7BR 1-BROMOPROPANE 7.037661259.836232.042 -53 71Y6 0 110C3H7BR 2-BROMOPROPANE 7.004631223.475236.508 -62 60Y6 0 111C3H7CL 1-CHLOROPROPANE 6.931101121.120230.210 -43 77Y2 0 112C3H7CL 2-CHLOROPROPANE 6.965401081.600230.010 -48 67Y1 0 113C3H7F 1-FLUOROPROPANE 6.95330 965.180239.500 -70 30Y10 0 114C3H7F 2-FLUOROPROPANE 7.07451 965.18 239.5 -49. 8.0N 113 115C3H7I 1-IODOPROPANE 7.221211507.410244.701 -36 103Y6 0 116C3H7I 2-IODOPROPANE 7.016701340.448234.365 -43 90Y6 0 117C3H7NO2 1-NITROPROPANE 7.114601467.450215.230 59 131Y4 0 118C3H7NO2 2-NITROPROPANE 7.486541664.036240.995 -19 120Y6 0 119C3H7NO3 PROPYL-NITRATE 7.737191721.723245.490 0 70Y6 0 120C3H7NO3 ISOPROPYL-NITRATE 6.420061018.568183.528 0 70Y6 0 121C3H8 PROPANE 6.80398 803.810246.990-108 -25Y3 0 122C3H8O ETHYL-METHYL-ETHER 5.88190 504.490160.760 -68 37Y2 0 123C3H8O PROPYL-ALCOHOL 7.619201375.140193.010 12 127Y2 0 124C3H8O ISOPROPYL-ALCOHOL 8.118201580.920219.620 0 101Y2 0 125C3H8S ETHYL-METHYL-SULFIDE 6.938491182.562224.784 -26 90Y3 0 126C3H8S 1-PROPANETHIOL 6.928461183.307224.624 -25 91Y3 0 127C3H8S 2-PROPANETHIOL 6.877341113.895226.157 -37 75Y3 0 128C3H9N PROPYLAMINE 6.946801108.200224.010 -38 77Y2 0 129C3H9N TRIMETHYLAMINE 6.97040 968.700234.010 -58 32Y2 0 130C4F8 OCTAFLUOROCYCLOBUTANE 6.81530 862.490225.150 -32 1Y1 0 131C4H2 BUTADIYNE(BIACETYLENE) 5.51917 460.684164.594 -78 0Y6 0 132C4H4 1BUTEN3YNE(VINYLACETYLENE) 6.95300 957.000230.010 -73 32Y1 0 133C4H4O FURAN 6.975301060.850227.750 -35 90Y1 0 134C4H4S THIOPHENE 6.959261246.020221.350 -12 108Y3 0 135C4H6 1,2-BUTADIENE 6.993831041.117242.274 -26 30Y3 0 136C4H6 1,3-BUTADIENE 6.84999 930.546238.854 -58 14Y3 0 137C4H6 1-BUTYNE(ETHYLACETYLENE) 6.98198 988.750233.010 -68 27Y3 0 138C4H6 2-BUTYNE(DIMETHYLACETYLENE) 7.073381101.710235.810 -30 47Y3 0 139C4H6 CYCLOBUTENE 6.957691009.320244.986 -77 2Y6 0 140C4H6O3 ACETIC-ANHYDRIDE 7.121601427.770198.050 35 164Y2 0 141C4H7N BUTYRONITRILE 7.039601390.700217.000 34 160Y2 0 142C4H7N ISOBUTYRONITRILE 7.21591 1390.7 217 49. 127N 141 143C4H8 1-BUTENE 6.84290 926.100240.000 -81 13Y3 0 144C4H8 2-BUTENE,CIS 6.86926 960.100237.000 -73 23Y3 0 145C4H8 2-BUTENE,TRANS 6.86952 960.800240.000 -76 20Y3 0 146C4H8 2-METHYLPROPENE 6.84134 923.200240.000 -82 12Y3 0 147C4H8 CYCLOBUTANE 6.916301024.540241.380 -73 17Y2 0 148C4H8BR2 1,2-DIBROMOBUTANE 7.256961759.076235.009 8 166Y6 0 149C4H8BR2 2,3-DIBROMOBUTANE 7.200231691.481230.223 5 161Y6 0 150C4H8I2 1,2-DIIODOBUTANE 6.2433 1507.41 244.7 110 246N 115 151C4H8O BUTYRALDEHYDE 7.021201233.000223.010 -18 107Y2 0 152C4H8O 2-BUTANONE 7.208701368.210236.510 -16 103Y2 0 153C4H8O2 P-DIOXANE 7.006301288.500211.010 2 137Y2 0 154C4H8O2 ETHYL-ACETATE 7.014601211.900216.010 -13 112Y2 0 155C4H8S THIACYCLOPENTANE 6.995401401.939219.607 14 147Y3 0 156C4H9BR 1-BROMOBUTANE 6.922541298.608219.700 19 141Y10 0 157C4H9BR 2-BROMOBUTANE 6.827241229.080220.000 10 146Y9 0 158C4H9BR 2-BROMO-2-METHYLPROPANE 6.668501129.700225.000 -7 110Y10 0 159C4H9CL 1-CHLOROBUTANE 6.937901227.430224.110 -18 112Y2 0 160C4H9CL 2-CHLOROBUTANE 6.944701195.800226.010 -23 102Y1 0 161C4H9CL 1-CHLORO-2-METHYLPROPANE 6.953041205.079227.046 -54 69Y6 0 162C4H9CL 2-CHLORO-2-METHYLPROPANE 6.867101114.900229.010 -38 87Y1 0 163C4H9I 2-IODO-2-METHYLPROPANE 7.2539 1507.41 244.7 42. 124N 115 164C4H9N PYRROLIDINE 6.924601179.990205.260 27 127Y2 0 165C4H9NO2 1-NITROBUTANE 6.86715 1467.45 215.23 86. 182N 117 166C4H9NO2 2-NITROBUTANE 7.25197 1664.03 240.99 75. 167N 118 167C4H10 BUTANE 6.80896 935.860238.730 -78 19Y3 0 168C4H10 2-METHYLPROPANE(ISOBUTANE) 6.91048 946.350246.680 -87 7Y3 0 169C4H10O ETHYL-ETHER 6.920321064.070228.800 -61 20Y4 0 170C4H10O METHYL-PROPYL-ETHER 6.11860 708.690179.900 0 39Y4 0 171C4H10O METHYL-ISOPROPYL-ETHER 6.24495 708.69 179.9 -12. 51.N 170 172C4H10O BUTYL-ALCOHOL 7.476801362.390178.730 15 131Y2 0 173C4H10O SEC-BUTYL-ALCOHOL 7.474301314.190186.510 25 120Y2 0 174C4H10O TERT-BUTYL-ALCOHOL 7.319901154.480177.660 20 103Y2 0 175C4H10S ETHYLSULFIDE 6.928361257.833218.662 -6 117Y3 0 176C4H10S ISOPROPYL-METHYL-SULFIDE 6.901961232.170221.670 -13 109Y3 0 177C4H10S METHYL-PROPYL-SULFIDE 6.955451284.320219.660 -4 120Y3 0 178C4H10S 1-BUTANETHIOL 6.927541281.018218.100 -2 123Y3 0 179C4H10S 2-BUTANETHIOL 6.886981229.904222.021 -13 109Y3 0 180C4H10S 2-METHYL-1-PROPANETHIOL 6.887461237.282220.313 -10 113Y3 0 181C4H10S 2-METHYL-2-PROPANETHIOL 6.787811115.565221.314 1 87Y3 0 182C4H10S2 ETHYL-DISULFIDE 6.975071485.970208.958 40 182Y3 0 183C4H11N BUTYLAMINE 7.213001308.400224.200 -14 100Y2 0 184C4H11N SEC-BUTYLAMINE 7.150691238.300227.000 -9 98Y10 0 185C4H11N TERT-BUTYLAMINE 6.78309 993.262210.493 19 75Y6 0 186C4H11N DIETHYLAMINE 6.972401127.000220.010 -31 77Y2 0 187C5H5N PYRIDINE 6.988201344.200212.010 12 152Y2 0 188C5H6S 2-METHYLTHIOPHENE 6.938971326.480214.310 9 138Y3 0 189C5H6S 3-METHYLTHIOPHENE 6.986111363.840216.780 11 141Y3 0 190C5H8 1,2-PENTADIENE 6.918201104.991228.851 -20 66Y3 0 191C5H8 1,3-PENTADIENE,CIS 6.910891101.923229.367 -17 65Y3 0 192C5H8 1,3-PENTADIENE,TRANS 6.913171103.840231.724 -16 63Y3 0 193C5H8 1,4-PENTADIENE 6.835431017.995231.461 -33 46Y3 0 194C5H8 2,3-PENTADIENE 6.962161126.837227.841 -13 69Y3 0 195C5H8 3-METHYL-1,2-BUTADIENE 6.943501103.901230.890 -20 62Y3 0 196C5H8 2-METHYL-1,3-BUTADIENE 6.885641071.578233.513 -18 55Y3 0 197C5H8 1-PENTYNE 6.967301092.520227.190 -43 62Y1 0 198C5H8 2-PENTYNE 7.046141189.870229.600 -33 78Y4 0 199C5H8 3-METHYL-1-BUTYNE 6.884801014.810227.110 -55 47Y4 0 200C5H8 CYCLOPENTENE 6.920701121.810233.460 -29 105Y1 0 201C5H8 SPIROPENTANE 6.917001090.080231.100 3 71Y4 0 202C5H10 1-PENTENE 6.846501044.895233.516 -55 51Y3 0 203C5H10 2-PENTENE,CIS 6.872741067.951230.585 -49 58Y3 0 204C5H10 2-PENTENE,TRANS 6.905751083.987232.965 -49 58Y3 0 205C5H10 2-METHYL-1-BUTENE 6.873141053.780232.788 -53 52Y3 0 206C5H10 3-METHYL-1-BUTENE 6.826181013.474236.816 -63 41Y3 0 207C5H10 2-METHYL-2-BUTENE 6.915621095.088232.842 -48 60Y3 0 208C5H10 CYCLOPENTANE 6.886761124.162231.361 -40 72Y3 0 209C5H10BR22,3-DIBROMO-2-METHYLBUTANE 7.367351695.900207.000 81 218Y10 0 210C5H10O VALERALDEHYDE 7.019201316.000215.010 4 139Y1 0 211C5H10O 2-PENTANONE 6.950001274.600210.910 2 137Y1 0 212C5H10S THIACYCLOHEXANE 6.905181422.470211.720 29 170Y3 0 213C5H10S CYCLOPENTANETHIOL 6.914971388.630212.050 81 173Y4 0 214C5H11BR 1-BROMOPENTANE 6.955801401.634214.380 41 173Y10 0 215C5H11CL 1-CHLOROPENTANE 6.966171332.890218.500 24 148Y10 0 216C5H11CL 1-CHLORO-3-METHYLBUTANE 6.79527 1258.5 223 39. 124N 217 217C5H11CL 2-CHLORO-2-METHYLBUTANE 6.959021258.500223.000 7 123Y10 0 218C5H12 PENTANE 6.876321075.780233.205 -50 58Y3 0 219C5H12 2-METHYLBUTANE(ISOPENTANE) 6.833151040.730235.445 -57 49Y3 0 220C5H12 2,2-DIMETHYPROPANE 6.60427 883.420227.782 -13 29Y3 0 221C5H12O METHYL-TERT-BUTYL-ETHER 5.896 708.69 179.9 2.0 80.N 170 222C5H12O PENTYL-ALCOHOL 7.177601314.560168.160 37 138Y2 0 223C5H12O TERT-PENTYL-ALCOHOL 7.875301604.700208.160 55 133Y1 0 224C5H12S BUTYL-METHYL-SULFIDE 6.945831363.808212.074 17 150Y3 0 225C5H12S ETHYL-PROPYL-SULFIDE 6.933801341.570212.510 14 145Y3 0 226C5H12S 2-METHYL-2-BUTANETHIOL 6.828371254.885218.759 -3 125Y3 0 227C5H12S 1-PENTANETHIOL 6.933111369.479211.314 20 153Y3 0 228C6CL6 HEXACHLOROBENZENE 9.786024597.570355.961 114 309Y6 0 229C6F6 HEXAFLUOROBENZENE 7.033001227.980215.500 -3 117Y2 0 230C6H4CL2 O-DICHLOROBENZENE 7.070301649.550213.320 58 210Y2 0 231C6H4CL2 M-DICHLOROBENZENE 7.303701782.400230.010 53 202Y2 0 232C6H4CL2 P-DICHLOROBENZENE 6.998001575.110208.520 54 204Y2 0 233C6H4F2 M-DIFLUOROBENZENE 7.06582 1310.27 222.58 36. 114N 234 234C6H4F2 O-DIFLUOROBENZENE 7.020311310.271222.587 31 130Y6 0 235C6H4F2 P-DIFLUOROBENZENE 7.08812 1310.27 222.58 34. 112N 234 236C6H5BR BROMOBENZENE 6.860601438.820205.450 47 177Y2 0 237C6H5CL CHLOROBENZENE 6.978101431.050217.560 47 147Y2 0 238C6H5F FLUOROBENZENE 7.187001381.830235.570 -23 97Y2 0 239C6H5I IODOBENZENE 7.011901640.130208.780 17 197Y2 0 240C6H6 BENZENE 6.905651211.033220.790 -16 104Y3 0 241C6H6O PHENOL 7.134501516.070174.570 72 208Y2 0 242C6H6S BENZENETHIOL 6.990191529.454203.048 52 198Y3 0 243C6H7N 2-PICOLINE 7.032401415.730211.580 79 169Y1 0 244C6H7N 3-PICOLINE 7.050201481.770211.210 74 185Y1 0 245C6H7N ANILINE 7.241801675.300200.010 67 227Y2 0 246C6H10 1-HEXYNE 6.912121194.600225.000 -8 118Y9 0 247C6H10 CYCLOHEXENE 6.872401221.900223.180 27 87Y1 0 248C6H10 1-METHYLCYCLOPENTENE 6.868841199.600225.000 -5 130Y8 0 249C6H10 3-METHYLCYCLOPENTENE 6.872591165.600227.000 -10 119Y8 0 250C6H10 4-METHYLCYCLOPENTENE 6.870151197.600225.000 -2 130Y8 0 251C6H10O CYCLOHEXANONE 6.978511495.580209.559 90 166Y6 0 252C6H12 1-HEXENE 6.865721152.971225.849 -29 87Y3 0 253C6H12 2-HEXENE,CIS 7.038051258.571233.851 -25 92Y3 0 254C6H12 2-HEXENE,TRANS 6.893421173.343224.530 -25 91Y3 0 255C6H12 3-HEXENE,CIS 6.878541164.134224.749 -27 90Y3 0 256C6H12 3-HEXENE,TRANS 6.917801180.707225.384 -26 90Y3 0 257C6H12 2-METHYL-1-PENTENE 6.850301138.516224.704 -30 85Y3 0 258C6H12 3-METHYL-1-PENTENE 6.755231086.316226.204 -37 77Y3 0 259C6H12 4-METHYL-1-PENTENE 6.835291121.302229.687 -38 77Y3 0 260C6H12 2-METHYL-2-PENTENE 6.923671183.837225.514 -26 90Y3 0 261C6H12 3-METHYL-2-PENTENE,CIS 6.910731186.402226.696 -26 91Y3 0 262C6H12 3-METHYL-2-PENTENE,TRANS 6.926341194.527224.833 -23 94Y3 0 263C6H12 4-METHYL-2-PENTENE,CIS 6.841291120.707226.586 -35 79Y3 0 264C6H12 4-METHYL-2-PENTENE,TRANS 6.880301142.874227.143 -33 81Y3 0 265C6H12 2-ETHYL-1-BUTENE 6.997121218.352231.300 -28 88Y3 0 266C6H12 2,3-DIMETHYL-1-BUTENE 6.862361134.675229.367 -36 78Y3 0 267C6H12 3,3-DIMETHYL-1-BUTENE 6.677511010.516224.909 -47 64Y3 0 268C6H12 2,3-DIMETHYL-2-BUTENE 6.950581215.428225.443 -21 97Y3 0 269C6H12 CYCLOHEXANE 6.841301201.531222.647 6 105Y3 0 270C6H12 METHYLCYCLOPENTANE 6.862831186.059226.042 -24 96Y3 0 271C6H12O CYCLOHEXANOL 6.25530 912.870109.130 94 161Y4 0 272C6H12O HEXANAL 6.71442 1316 215.01 64. 156N 210 273C6H12S THIACYCLOHEPTANE 6.90523 1422.47 211.72 78. 169N 212 274C6H14 HEXANE 6.870241168.720224.210 -25 92Y3 0 275C6H14 2-METHYLPENTANE 6.839101135.410226.572 -32 83Y3 0 276C6H14 3-METHYLPENTANE 6.818871152.368227.129 -29 89Y3 0 277C6H14 2,2-DIMETHYLBUTANE 6.754831081.176229.343 -41 73Y3 0 278C6H14 2,3-DIMETHYLBUTANE 6.809831127.187228.900 -35 81Y3 0 279C6H14O PROPYL-ETHER 6.947601256.500219.000 26 89Y4 0 280C6H14O ISOPROPYL-ETHER 7.097101257.600230.010 -24 91Y2 0 281C6H14O HEXYL-ALCOHOL 7.860401761.260196.670 35 157Y1 0 282C6H14S BUTYL-ETHYL-SULFIDE 6.941021421.320205.810 33 172Y3 0 283C6H14S ISOPROPYL-SULFIDE 6.871181327.120212.550 13 147Y3 0 284C6H14S METHYL-PENTYL-SULFIDE 7.11609 1413.44 205.73 70. 153N 285 285C6H14S PROPYL-SULFIDE 6.935771413.440205.730 32 170Y3 0 286C6H14S 1-HEXANETHIOL 6.946641454.004204.954 40 181Y3 0 287C6H14S2 PROPYL-DISULFIDE 6.975291603.793195.848 73 226Y3 0 288C6H15N TRIETHYLAMINE 6.898901251.800222.010 -13 127Y2 0 289C7H5F3 A,A,A-TRIFLUOROTOLUENE 6.970451306.350217.380 55 139Y4 0 290C7H5N BENZONITRILE 7.729112110.572244.819 28 191Y6 0 291C7H6O2 BENZOIC-ACID 7.454001820.000147.960 132 287Y1 0 292C7H7F P-FLUOROTOLUENE 6.994261374.055217.400 68 155Y4 0 293C7H8 TOLUENE 6.954641344.800219.482 6 136Y3 0 294C7H8 1,3,5-CYCLOHEPTATRIENE 6.974331376.840220.750 0 65Y4 0 295C7H8O M-CRESOL 7.508001856.360199.070 97 207Y2 0 296C7H8O O-CRESOL 6.911701435.500165.160 97 207Y2 0 297C7H8O P-CRESOL 7.035101511.080161.860 97 207Y2 0 298C7H12 1-HEPTYNE 6.685931216.600220.000 14 142Y9 0 299C7H14 1-HEPTENE 6.900691257.505219.179 -6 118Y3 0 300C7H14 CYCLOHEPTANE 6.853901331.570216.360 57 162Y1 0 301C7H14 ETHYLCYCLOPENTANE 6.887091298.599220.675 -3 129Y3 0 302C7H14 1,1-DIMETHYLCYCLOPENTANE 6.817241219.474221.946 -12 113Y3 0 303C7H14 C-1,2-DIMETHYLCYCLOPENTANE 6.850081269.140220.209 -3 125Y3 0 304C7H14 T-1,2-DIMETHYLCYCLOPENTANE 6.844221242.748221.686 -9 117Y3 0 305C7H14 C-1,3-DIMETHYLCYCLOPENTANE 6.837151237.456222.005 -10 116Y3 0 306C7H14 T-1,3-DIMETHYLCYCLOPENTANE 6.838171240.023221.621 -9 117Y3 0 307C7H14 METHYLCYCLOHEXANE 6.823001270.763221.416 -3 127Y3 0 308C7H14O HEPTANAL 5.47587 686.453111.817 12 155Y6 0 309C7H16 HEPTANE 6.893851264.370216.636 -2 123Y3 0 310C7H16 2-METHYLHEXANE 6.873181236.026219.545 -9 115Y3 0 311C7H16 3-METHYLHEXANE 6.867641240.196219.223 -8 117Y3 0 312C7H16 3-ETHYLPENTANE 6.875641251.827219.887 -7 118Y3 0 313C7H16 2,2-DIMETHYLPENTANE 6.814801190.033223.303 -19 104Y3 0 314C7H16 2,3-DIMETHYLPENTANE 6.853821238.017221.823 -10 115Y3 0 315C7H16 2,4-DIMETHYLPENTANE 6.826211192.041221.634 -17 105Y3 0 316C7H16 3,3-DIMETHYLPENTANE 6.826671228.663225.316 -14 111Y3 0 317C7H16 2,2,3-TRIMETHYLBUTANE 6.792301200.563226.050 -19 106Y3 0 318C7H16O ISOPROPYL-TERT-BUTYL-ETHER 6.62913 1257.6 230.01 41. 134N 280 319C7H16O HEPTYL-ALCOHOL 6.647601140.640126.560 60 176Y1 0 320C7H16S BUTYL-PROPYL-SULFIDE 6.65279 1421.32 205.81 99. 203N 282 321C7H16S ETHYL-PENTYL-SULFIDE 6.65279 1421.32 205.81 99. 203N 282 322C7H16S HEXYL-METHYL-SULFIDE 6.65279 1421.32 205.81 99. 203N 282 323C7H16S 1-HEPTANETHIOL 6.952491525.311197.696 59 206Y3 0 324C8H6 ETHYNYLBENZENE 6.957 1445.58 209.44 82. 172N 325 325C8H8 STYRENE 6.957101445.580209.440 32 187Y2 0 326C8H8 1,3,5,7-CYCLOOCTATETRAENE 7.006691472.110215.840 0 75Y4 0 327C8H10 ETHYLBENZENE 6.957191424.255213.206 26 163Y3 0 328C8H10 M-XYLENE 7.009081462.266215.105 28 166Y3 0 329C8H10 O-XYLENE 6.998911474.679213.686 32 172Y3 0 330C8H10 P-XYLENE 6.990521453.430215.307 27 166Y3 0 331C8H14 1-OCTYNE 7.024471413.800215.000 25 170Y9 0 332C8H16 1-OCTENE 6.932631353.486212.764 15 148Y3 0 333C8H16 CYCLOOCTANE 6.861901437.780209.980 94 197Y1 0 334C8H16 PROPYLCYCLOPENTANE 6.903921384.386213.159 21 158Y3 0 335C8H16 ETHYLCYCLOHEXANE 6.867281382.466214.995 21 160Y3 0 336C8H16 1,1-DIMETHYLCYCLOHEXANE 6.798211321.705217.845 10 147Y3 0 337C8H16 C-1,2-DIMETHYLCYCLOHEXANE 6.837461367.311215.835 18 158Y3 0 338C8H16 T-1,2-DIMETHYLCYCLOHEXANE 6.833081353.881219.132 13 151Y3 0 339C8H16 C-1,3-DIMETHYLCYCLOHEXANE 6.838831338.473218.072 11 147Y3 0 340C8H16 T-1,3-DIMETHYLCYCLOHEXANE 6.834551343.687215.394 15 152Y3 0 341C8H16 C-1,4-DIMETHYLCYCLOHEXANE 6.832871345.613216.154 15 152Y3 0 342C8H16 T-1,4-DIMETHYLCYCLOHEXANE 6.817731330.437218.581 10 147Y3 0 343C8H16O OCTANAL 12.511683977.531244.532 73 169Y6 0 344C8H18 OCTANE 6.909401349.820209.385 19 152Y3 0 345C8H18 2-METHYLHEPTANE 6.917351337.468213.693 12 144Y3 0 346C8H18 3-METHYLHEPTANE 6.899441331.530212.414 13 145Y3 0 347C8H18 4-METHYLHEPTANE 6.900651327.661212.568 12 144Y3 0 348C8H18 3-ETHYLHEXANE 6.890981327.884212.595 13 145Y3 0 349C8H18 2,2-DIMETHYLHEXANE 6.837151273.594215.072 3 133Y3 0 350C8H18 2,3-DIMETHYLHEXANE 6.870041315.503214.157 10 142Y3 0 351C8H18 2,4-DIMETHYLHEXANE 6.853051287.876214.790 5 135Y3 0 352C8H18 2,5-DIMETHYLHEXANE 6.859841287.274214.412 5 135Y3 0 353C8H18 3,3-DIMETHYLHEXANE 6.851211307.882217.439 6 138Y3 0 354C8H18 3,4-DIMETHYLHEXANE 6.879861330.035214.863 11 144Y3 0 355C8H18 3-ETHYL-2-METHYLPENTANE 6.863581318.120215.306 9 142Y3 0 356C8H18 3-ETHYL-3-METHYLPENTANE 6.867311347.209219.684 10 145Y3 0 357C8H18 2,2,3-TRIMETHYLPENTANE 6.825461294.875218.420 4 136Y3 0 358C8H18 2,2,4-TRIMETHYLPENTANE 6.811891257.840220.735 -4 125Y3 0 359C8H18 2,3,3-TRIMETHYLPENTANE 6.843531328.046220.375 7 142Y3 0 360C8H18 2,3,4-TRIMETHYLPENTANE 6.853961315.084217.526 7 140Y3 0 361C8H18 2,2,3,3-TETRAMETHYLBUTANE 6.876651329.930226.360 103 133Y3 0 362C8H18O BUTYL-ETHER 6.982501431.500207.010 32 182Y2 0 363C8H18O SEC-BUTYL-ETHER 6.79153 1348.53 223.79 57. 149N 364 364C8H18O TERT-BUTYL-ETHER 6.932941348.533223.790 4 109Y5 0 365C8H18O OCTYL-ALCOHOL 6.837001310.620136.060 70 195Y2 0 366C8H18S BUTYL-SULFIDE 6.54589 1421.32 205.81 106 215N 282 367C8H18S ETHYL-HEXYL-SULFIDE 6.42693 1421.32 205.81 115 231N 282 368C8H18S HEPTYL-METHYL-SULFIDE 6.42693 1421.32 205.81 115 231N 282 369C8H18S PENTYL-PROPYL-SULFIDE 6.42693 1421.32 205.81 115 231N 282 370C8H18S 1-OCTANETHIOL 6.969091593.000190.610 76 229Y3 0 371C8H18S2 BUTYL-DISULFIDE 6.963801684.100181.300 101 263Y3 0 372C9H10 ALPHA-METHYLSTYRENE 7.092401582.700206.010 75 220Y1 0 373C9H10 PROPENYLBENZENE,CIS 7.449611909.083238.874 18 179Y6 0 374C9H10 PROPENYLBENZENE,TRANS 7.54993 1909.08 238.87 105 197N 373 375C9H10 M-METHYLSTYRENE 6.879281471.440200.000 72 250Y4 0 376C9H10 O-METHYLSTYRENE 6.884611485.410200.000 75 255Y4 0 377C9H10 P-METHYLSTYRENE 7.011201535.100200.700 68 170Y4 0 378C9H12 PROPYLBENZENE 6.951421491.297207.140 43 188Y3 0 379C9H12 CUMENE 6.936661460.793207.777 38 181Y3 0 380C9H12 M-ETHYLTOLUENE 7.015821529.184208.509 46 190Y3 0 381C9H12 O-ETHYLTOLUENE 7.003141535.374207.300 48 194Y3 0 382C9H12 P-ETHYLTOLUENE 6.998021527.113208.921 46 191Y3 0 383C9H12 1,2,3-TRIMETHYLBENZENE 7.040821593.958207.078 57 205Y3 0 384C9H12 1,2,4-TRIMETHYLBENZENE 7.043831573.267208.564 52 198Y3 0 385C9H12 MESITYLENE 7.074361569.622209.578 49 193Y3 0 386C9H16 1-NONYNE 6.774101404.700210.000 50 223Y9 0 387C9H18 1-NONENE 6.953871435.359205.535 36 174Y3 0 388C9H18 BUTYLCYCLOPENTANE 6.899351457.080205.990 41 185Y3 0 389C9H18 PROPYLCYCLOHEXANE 6.886461460.800207.939 40 186Y3 0 390C9H18 C-C-135TRIMETHYLCYCLOHEXANE 7.09743 1460.8 207.93 78. 164N 389 391C9H18 C-T-135TRIMETHYLCYCLOHEXANE 7.07274 1460.8 207.93 80. 166N 389 392C9H18O NONANAL 7.815052036.854227.486 33 185Y6 0 393C9H20 NONANE 6.934401429.460201.820 39 179Y3 0 394C9H20 2-METHYLOCTANE 6.911911398.420203.650 33 171Y3 0 395C9H20 3-METHYLOCTANE 6.909201405.800204.760 33 172Y3 0 396C9H20 4-METHYLOCTANE 6.903181399.120205.410 32 170Y3 0 397C9H20 3-ETHYLHEPTANE 6.904891406.500206.500 32 171Y3 0 398C9H20 4-ETHYLHEPTANE 6.898981399.800207.200 30 169Y3 0 399C9H20 2,2-DIMETHYLHEPTANE 6.881741363.910208.210 24 160Y3 0 400C9H20 2,3-DIMETHYLHEPTANE 6.876351389.500207.300 29 168Y3 0 401C9H20 2,4-DIMETHYLHEPTANE 6.902521368.720207.440 24 160Y3 0 402C9H20 2,5-DIMETHYLHEPTANE 6.893171375.400206.800 27 163Y3 0 403C9H20 2,6-DIMETHYLHEPTANE 6.893851368.000205.680 26 162Y3 0 404C9H20 3,3-DIMETHYLHEPTANE 6.875531385.360209.790 26 165Y3 0 405C9H20 3,4-DIMETHYLHEPTANE 6.883591396.900208.400 29 168Y3 0 406C9H20 3,5-DIMETHYLHEPTANE 6.901641382.800207.900 26 163Y3 0 407C9H20 4,4-DIMETHYLHEPTANE 6.869681378.700210.400 24 163Y3 0 408C9H20 3-ETHYL-2-METHYLHEXANE 6.886901390.200209.000 27 166Y3 0 409C9H20 4-ETHYL-2-METHYLHEXANE 6.900301376.100208.600 25 161Y3 0 410C9H20 3-ETHYL-3-METHYLHEXANE 6.877871406.800211.400 28 169Y3 0 411C9H20 3-ETHYL-4-METHYLHEXANE 6.894301404.300209.500 29 168Y3 0 412C9H20 2,2,3-TRIMETHYLHEXANE 6.865741375.720211.630 23 161Y3 0 413C9H20 2,2,4-TRIMETHYLHEXANE 6.849221340.900211.350 18 154Y3 0 414C9H20 2,2,5-TRIMETHYLHEXANE 6.835311324.049210.737 16 151Y3 0 415C9H20 2,3,3-TRIMETHYLHEXANE 6.854171389.790212.100 25 166Y3 0 416C9H20 2,3,4-TRIMETHYLHEXANE 6.852741387.220210.220 27 167Y3 0 417C9H20 2,3,5-TRIMETHYLHEXANE 6.870781359.090209.290 22 159Y3 0 418C9H20 2,4,4-TRIMETHYLHEXANE 6.851631368.723214.047 20 158Y3 0 419C9H20 3,3,4-TRIMETHYLHEXANE 6.857611403.880212.560 27 169Y3 0 420C9H20 3,3-DIETHYLPENTANE 6.892621451.245215.575 31 175Y3 0 421C9H20 3-ETHYL-2,2-DIMETHYLPENTANE 6.871661383.130212.750 23 162Y3 0 422C9H20 3-ETHYL-2,3-DIMETHYLPENTANE 6.844631418.000213.000 30 174Y3 0 423C9H20 3-ETHYL-2,4-DIMETHYLPENTANE 6.852931380.540210.870 25 165Y3 0 424C9H20 2,2,3,3-TETRAMETHYLPENTANE 6.828761397.483213.703 26 169Y3 0 425C9H20 2,2,3,4-TETRAMETHYLPENTANE 6.831731374.042214.762 21 161Y3 0 426C9H20 2,2,4,4-TETRAMETHYLPENTANE 6.797101325.183216.093 13 150Y3 0 427C9H20 2,3,3,4-TETRAMETHYLPENTANE 6.859611417.473214.705 27 170Y3 0 428C9H20O NONYL-ALCOHOL 6.675701276.630123.060 90 214Y1 0 429C9H20S BUTYL-PENTYL-SULFIDE 6.23448 1421.32 205.81 129 258N 282 430C9H20S ETHYL-HEPTYL-SULFIDE 6.23448 1421.32 205.81 129 258N 282 431C9H20S HEXYL-PROPYL-SULFIDE 6.23448 1421.32 205.81 129 258N 282 432C9H20S METHYL-OCTYL-SULFIDE 6.23448 1421.32 205.81 129 258N 282 433C9H20S 1-NONANETHIOL 6.983901655.600183.700 93 251Y3 0 434C10H8 NAPHTHALENE 7.010651733.710201.859 87 250Y3 0 435C10H8 AZULENE 6.7868 1733.71 201.85 160 278N 434 436C10H14 BUTYLBENZENE 6.983171577.965201.378 62 213Y3 0 437C10H14 M-DIETHYLBENZENE 7.003601575.310200.960 61 211Y3 0 438C10H14 O-DIETHYLBENZENE 6.987801576.940200.510 63 213Y3 0 439C10H14 P-DIETHYLBENZENE 6.998201588.310201.970 63 214Y3 0 440C10H14 1,2,3,4-TETRAMETHYLBENZENE 7.059401690.540199.480 80 236Y3 0 441C10H14 1,2,3,5-TETRAMETHYLBENZENE 7.077901675.430201.140 75 228Y3 0 442C10H14 1,2,4,5-TETRAMETHYLBENZENE 7.080001672.430201.430 74 227Y3 0 443C10H18 1-DECYNE 7.108701606.600206.000 78 246Y9 0 444C10H18 DECAHYDRONAPHTHALENE,CIS 6.875291594.460203.392 68 228Y3 0 445C10H18 DECAHYDRONAPHTHALENE,TRANS 6.856811564.683206.259 61 219Y3 0 446C10H20 1-DECENE 6.960341501.872197.578 54 199Y3 0 447C10H20 1-CYCLOPENTYLPENTANE 6.941401540.600198.800 60 210Y3 0 448C10H20 BUTYLCYCLOHEXANE 6.910301538.518200.833 59 211Y3 0 449C10H20O DECANAL 8.207942378.316237.905 52 209Y6 0 450C10H22 DECANE 6.963751508.750195.374 58 203Y3 0 451C10H22 2-METHYLNONANE 6.933721472.730196.380 52 196Y3 0 452C10H22 3-METHYLNONANE 6.929751479.100197.500 52 197Y3 0 453C10H22 4-METHYLNONANE 6.922341471.000198.300 50 194Y3 0 454C10H22 5-METHYLNONANE 6.918781468.400198.500 50 194Y3 0 455C10H22 3-ETHYLOCTANE 6.918451477.400199.400 50 195Y3 0 456C10H22 4-ETHYLOCTANE 6.909221466.680200.440 48 192Y3 0 457C10H22 2,2-DIMETHYLOCTANE 6.906171439.600200.700 43 185Y3 0 458C10H22 2,3-DIMETHYLOCTANE 6.894491462.220200.000 48 193Y3 0 459C10H22 2,4-DIMETHYLOCTANE 6.921461439.800200.400 43 184Y3 0 460C10H22 2,5-DIMETHYLOCTANE 6.902631442.500200.200 44 187Y3 0 461C10H22 2,6-DIMETHYLOCTANE 6.933311450.530199.400 45 187Y3 0 462C10H22 2,7-DIMETHYLOCTANE 6.913261444.190198.270 46 188Y3 0 463C10H22 3,3-DIMETHYLOCTANE 6.888951457.600202.500 45 190Y3 0 464C10H22 3,4-DIMETHYLOCTANE 6.899261465.900201.400 47 192Y3 0 465C10H22 3,5-DIMETHYLOCTANE 6.897581448.800201.300 44 188Y3 0 466C10H22 3,6-DIMETHYLOCTANE 6.912841456.900200.500 46 189Y3 0 467C10H22 4,4-DIMETHYLOCTANE 6.888911446.900203.500 42 186Y3 0 468C10H22 4,5-DIMETHYLOCTANE 6.892881460.520201.900 46 191Y3 0 469C10H22 4-PROPYLHEPTANE 6.947101458.700201.200 44 186Y3 0 470C10H22 4-ISOPROPYLHEPTANE 6.887571449.800202.900 43 188Y3 0 471C10H22 3-ETHYL-2-METHYLHEPTANE 6.892941457.900202.200 45 190Y3 0 472C10H22 4-ETHYL-2-METHYLHEPTANE 6.892001438.200202.300 42 185Y3 0 473C10H22 5-ETHYL-2-METHYLHEPTANE 6.894241448.800201.300 44 188Y3 0 474C10H22 3-ETHYL-3-METHYLHEPTANE 6.880631472.900204.500 46 193Y3 0 475C10H22 4-ETHYL-3-METHYLHEPTANE 6.886891464.200203.300 45 191Y3 0 476C10H22 3-ETHYL-5-METHYLHEPTANE 6.915931455.200202.400 44 187Y3 0 477C10H22 3-ETHYL-4-METHYLHEPTANE 6.888271466.800203.000 46 192Y3 0 478C10H22 4-ETHYL-4-METHYLHEPTANE 6.883021464.900205.200 44 190Y3 0 479C10H22 2,2,3-TRIMETHYLHEPTANE 6.875071446.100204.400 42 187Y3 0 480C10H22 2,2,4-TRIMETHYLHEPTANE 6.875251409.400204.500 35 177Y3 0 481C10H22 2,2,5-TRIMETHYLHEPTANE 6.878551417.400203.800 37 179Y3 0 482C10H22 2,2,6-TRIMETHYLHEPTANE 6.894541411.090202.630 37 177Y3 0 483C10H22 2,3,3-TRIMETHYLHEPTANE 6.872021457.800205.000 43 189Y3 0 484C10H22 2,3,4-TRIMETHYLHEPTANE 6.874171451.700203.600 44 189Y3 0 485C10H22 2,3,5-TRIMETHYLHEPTANE 6.839901440.000203.000 44 190Y3 0 486C10H22 2,3,6-TRIMETHYLHEPTANE 6.886681433.700201.900 42 184Y3 0 487C10H22 2,4,4-TRIMETHYLHEPTANE 6.860621418.400205.400 37 180Y3 0 488C10H22 2,4,5-TRIMETHYLHEPTANE 6.875831437.300203.300 41 185Y3 0 489C10H22 2,4,6-TRIMETHYLHEPTANE 6.913951411.300202.300 36 175Y3 0 490C10H22 2,5,5-TRIMETHYLHEPTANE 6.882041429.090204.360 39 181Y3 0 491C10H22 3,3,4-TRIMETHYLHEPTANE 6.868611466.800205.900 44 191Y3 0 492C10H22 3,3,5-TRIMETHYLHEPTANE 6.855241435.430205.490 40 185Y3 0 493C10H22 3,4,4-TRIMETHYLHEPTANE 6.867211464.100206.200 43 190Y3 0 494C10H22 3,4,5-TRIMETHYLHEPTANE 6.871131463.400204.200 45 192Y3 0 495C10H22 3-ISOPROPYL-2-METHYLHEXANE 6.761031441.000204.700 45 197Y3 0 496C10H22 3,3-DIETHYLHEXANE 6.883551490.900206.200 47 196Y3 0 497C10H22 3,4-DIETHYLHEXANE 6.883471473.200204.200 46 193Y3 0 498C10H22 3-ETHYL-2,2-DIMETHYLHEXANE 6.865941444.400206.400 40 185Y3 0 499C10H22 4-ETHYL-2,2-DIMETHYLHEXANE 6.895261416.000206.000 34 175Y3 0 500C10H22 3-ETHYL-2,3-DIMETHYLHEXANE 6.861281475.800206.800 45 194Y3 0 501C10H22 4-ETHYL-2,3-DIMETHYLHEXANE 6.868231458.000204.700 44 190Y3 0 502C10H22 3-ETHYL-2,4-DIMETHYLHEXANE 6.866821455.300205.000 43 189Y3 0 503C10H22 4-ETHYL-2,4-DIMETHYLHEXANE 6.867211464.100206.200 43 190Y3 0 504C10H22 3-ETHYL-2,5-DIMETHYLHEXANE 6.871551429.300204.100 39 183Y3 0 505C10H22 4-ETHYL-3,3-DIMETHYLHEXANE 6.862881473.100207.000 44 193Y3 0 506C10H22 3-ETHYL-3,4-DIMETHYLHEXANE 6.861481470.400207.300 44 192Y3 0 507C10H22 2,2,3,3-TETRAMETHYLHEXANE 6.844381464.030209.060 41 190Y3 0 508C10H22 2,2,3,4-TETRAMETHYLHEXANE 6.824101443.600207.300 41 188Y3 0 509C10H22 2,2,3,5-TETRAMETHYLHEXANE 6.876851417.600206.300 35 177Y3 0 510C10H22 2,2,4,4-TETRAMETHYLHEXANE 6.731511396.000208.700 35 184Y3 0 511C10H22 2,2,4,5-TETRAMETHYLHEXANE 6.835611400.550206.260 34 176Y3 0 512C10H22 2,2,5,5-TETRAMETHYLHEXANE 6.881241377.980207.000 27 165Y3 0 513C10H22 2,3,3,4-TETRAMETHYLHEXANE 6.842431474.940207.720 45 195Y3 0 514C10H22 2,3,3,5-TETRAMETHYLHEXANE 6.850431429.200206.900 37 182Y3 0 515C10H22 2,3,4,4-TETRAMETHYLHEXANE 6.829401457.900207.600 42 191Y3 0 516C10H22 2,3,4,5-TETRAMETHYLHEXANE 6.871561442.800205.300 40 185Y3 0 517C10H22 3,3,4,4-TETRAMETHYLHEXANE 6.811641492.700209.700 47 201Y3 0 518C10H22 24DIMETHYL3ISOPROPYLPENTANE 6.821541432.150206.380 40 186Y3 0 519C10H22 33-DIETHYL-2-METHYLPENTANE 6.859841501.800207.700 49 200Y3 0 520C10H22 3ETHYL-223TRIMETHYLPENTANE 6.807101490.100210.000 47 200Y3 0 521C10H22 3ETHYL-224TRIMETHYLPENTANE 6.831491435.600208.100 38 185Y3 0 522C10H22 3ETHYL-234TRIMETHYLPENTANE 6.816161486.620208.320 47 200Y3 0 523C10H22 22334-PENTAMETHYLPENTANE 6.796591474.890210.600 44 197Y3 0 524C10H22 22344-PENTAMETHYLPENTANE 6.732731423.830210.350 38 190Y3 0 525C10H22O DECYL-ALCOHOL 6.922401472.010134.160 103 230Y2 0 526C10H22S BUTYL-HEXYL-SULFIDE 6.06898 1421.32 205.81 143 285N 282 527C10H22S ETHYL-OCTYL-SULFIDE 6.06898 1421.32 205.81 143 285N 282 528C10H22S HEPTYL-PROPYL-SULFIDE 6.06898 1421.32 205.81 143 285N 282 529C10H22S METHYL-NONYL-SULFIDE 6.06898 1421.32 205.81 143 285N 282 530C10H22S PENTYL-SULFIDE 6.06898 1421.32 205.81 143 285N 282 531C10H22S 1-DECANETHIOL 6.998101713.600177.000 109 271Y3 0 532C10H22S2PENTYL-DISULFIDE 6.958101756.000166.800 128 298Y3 0 533C11H10 1-METHYLNAPHTHALENE 7.035921826.948195.002 108 278Y3 0 534C11H10 2-METHYLNAPHTHALENE 7.068501840.268198.395 105 274Y3 0 535C11H16 PENTYLBENZENE 6.978331639.910194.760 80 237Y3 0 536C11H16 PENTAMETHYLBENZENE 7.137601833.800198.960 125 270Y1 0 537C11H20 1-UNDECYNE 7.130641687.200202.000 80 267Y9 0 538C11H22 1-UNDECENE 6.966621562.469189.743 72 222Y3 0 539C11H22 1-CYCLOPENTYLHEXANE 6.954801608.000191.600 78 234Y3 0 540C11H22 PENTYLCYCLOHEXANE 6.946671619.110194.510 78 235Y3 0 541C11H24 UNDECANE 6.972201569.570187.700 75 226Y3 0 542C11H24O UNDECYL-ALCOHOL 6.527101250.000100.000 120 243Y11 0 543C11H24S BUTYL-HEPTYL-SULFIDE 5.9321 1421.32 205.81 155 309N 282 544C11H24S DECYL-METHYL-SULFIDE 5.9321 1421.32 205.81 155 309N 282 545C11H24S ETHYL-NONYL-SULFIDE 5.9321 1421.32 205.81 155 309N 282 546C11H24S OCTYL-PROPYL-SULFIDE 5.9321 1421.32 205.81 155 309N 282 547C11H24S 1-UNDECANETHIOL 7.012201767.400170.400 124 290Y3 0 548C12H10 BIPHENYL 7.245401998.720202.740 70 272Y2 0 549C12H12 1-ETHYLNAPHTHALENE 7.031591841.320185.280 120 292Y3 0 550C12H12 2-ETHYLNAPHTHALENE 7.075661880.730191.410 118 291Y3 0 551C12H12 1,2-DIMETHYLNAPHTHALENE 7.006051805.310171.370 129 269Y3 0 552C12H12 1,3-DIMETHYLNAPHTHALENE 7.269802076.000210.000 148 310Y4 0 553C12H12 1,4-DIMETHYLNAPHTHALENE 7.269802076.000210.000 148 310Y4 0 554C12H12 1,5-DIMETHYLNAPHTHALENE 7.049301855.000180.000 150 313Y8 0 555C12H12 1,6-DIMETHYLNAPHTHALENE 7.269802076.000210.000 148 310Y4 0 556C12H12 1,7-DIMETHYLNAPHTHALENE 7.056401879.000180.000 150 320Y4 0 557C12H12 2,3-DIMETHYLNAPHTHALENE 7.052701869.000180.000 155 315Y4 0 558C12H12 2,6-DIMETHYLNAPHTHALENE 7.046001841.000180.000 150 310Y8 0 559C12H12 2,7-DIMETHYLNAPHTHALENE 7.047801846.000180.000 150 310Y4 0 560C12H18 HEXYLBENZENE 6.985301700.500188.200 96 258Y3 0 561C12H18 1,2,3-TRIETHYLBENZENE 7.58877 2133.55 235.68 146 247N 562 562C12H18 1,2,4-TRIETHYLBENZENE 7.578692133.558235.681 46 218Y6 0 563C12H18 1,3,5-TRIETHYLBENZENE 7.6044 2133.55 235.68 145 246N 562 564C12H18 HEXAMETHYLBENZENE 7.15544 2133.55 235.68 178 300N 562 565C12H22 1-DODECYNE 7.169291771.100198.000 113 288Y9 0 566C12H24 1-DODECENE 6.975221619.862182.271 89 244Y3 0 567C12H24 1-CYCLOPENTYLHEPTANE 6.974301672.200184.400 95 256Y3 0 568C12H24 1-CYCLOHEXYLHEXANE 6.955501681.000187.800 94 257Y3 0 569C12H26 DODECANE 6.997951639.270181.835 91 247Y3 0 570C12H26O DODECYL-ALCOHOL 7.539862003.290168.130 138 214Y4 0 571C12H26S BUTYL-OCTYL-SULFIDE 6.629001408.000116.060 134 307Y1 0 572C12H26S DECYL-ETHYL-SULFIDE 5.81251 1421.32 205.81 166 333N 282 573C12H26S HEXYL-SULFIDE 5.81251 1421.32 205.81 166 333N 282 574C12H26S METHYL-UNDECYL-SULFIDE 5.81251 1421.32 205.81 166 333N 282 575C12H26S NONYL-PROPYL-SULFIDE 5.81251 1421.32 205.81 166 333N 282 576C12H26S 1-DODECANETHIOL 7.024401817.800164.100 138 308Y3 0 577C12H26S2HEXYL-DISULFIDE 6.963201824.900153.500 153 328Y3 0 578C13H14 1-PROPYLNAPHTHALENE 7.059401890.800180.000 155 335Y8 0 579C13H14 2-PROPYLNAPHTHALENE 7.060501895.500180.000 160 335Y8 0 580C13H14 2ETHYL-3-METHYLNAPHTHALENE 7.02851 1895.5 180 196 312N 579 581C13H14 2ETHYL-6-METHYLNAPHTHALENE 7.09303 1895.5 180 192 303N 579 582C13H14 2ETHYL-7-METHYLNAPHTHALENE 7.09303 1895.5 180 192 303N 579 583C13H20 1-PHENYLHEPTANE 7.000601761.200181.500 112 279Y3 0 584C13H24 1-TRIDECYNE 7.156741834.400195.000 120 308Y9 0 585C13H26 1-TRIDECENE 6.985631674.741175.214 105 264Y3 0 586C13H26 1-CYCLOPENTYLOCTANE 6.989601729.800177.300 112 276Y3 0 587C13H26 1-CYCLOHEXYLHEPTANE 6.974301743.000180.900 111 278Y3 0 588C13H28 TRIDECANE 7.007561690.670174.220 107 267Y3 0 589C13H28O 1-TRIDECANOL 7.41181 2003.29 168.13 202 304N 570 590C13H28S BUTYL-NONYL-SULFIDE 5.70756 1421.32 205.81 177 355N 282 591C13H28S DECYL-PROPYL-SULFIDE 5.70756 1421.32 205.81 177 355N 282 592C13H28S DODECYL-METHYL-SULFIDE 5.70756 1421.32 205.81 177 355N 282 593C13H28S ETHYL-UNDECYL-SULFIDE 5.70756 1421.32 205.81 177 355N 282 594C13H28S 1-TRIDECANETHIOL 7.037001864.900157.900 151 325Y3 0 595C14H16 1-BUTYLNAPHTHALENE 4.96310 656.800 26.000 139 292Y3 0 596C14H16 2-BUTYLNAPHTHALENE 6.611701591.400138.500 145 291Y3 0 597C14H22 1-PHENYLOCTANE 7.008601812.200174.600 127 298Y3 0 598C14H22 1,2,3,4-TETRAETHYLBENZENE 7.656322312.864236.261 66 248Y6 0 599C14H22 1,2,3,5-TETRAETHYLBENZENE 7.63235 2312.86 236.26 174 282N 598 600C14H22 1,2,4,5-TETRAETHYLBENZENE 7.63723 2312.86 236.26 174 282N 598 601C14H26 1-TETRADECYNE 7.232271927.700191.000 145 326Y9 0 602C14H28 1-TETRADECENE 7.020051745.001170.475 119 283Y3 0 603C14H28 1-CYCLOPENTYLNONANE 6.996001779.000170.200 126 296Y3 0 604C14H28 1-CYCLOHEXYLOCTANE 6.989701799.300174.300 126 298Y3 0 605C14H30 TETRADECANE 7.013001740.880167.720 122 286Y3 0 606C14H30O 1-TETRADECANOL 6.674101204.500 54.000 130 264Y4 0 607C14H30S BUTYL-DECYL-SULFIDE 5.61512 1421.32 205.81 187 376N 282 608C14H30S DODECYL-ETHYL-SULFIDE 5.61512 1421.32 205.81 187 376N 282 609C14H30S HEPTYL-SULFIDE 5.61512 1421.32 205.81 187 376N 282 610C14H30S METHYL-TRIDECYL-SULFIDE 5.61512 1421.32 205.81 187 376N 282 611C14H30S PROPYL-UNDECYL-SULFIDE 5.61512 1421.32 205.81 187 376N 282 612C14H30S 1-TETRADECANETHIOL 7.048501909.200151.900 164 341Y3 0 613C14H30S2HEPTYL-DISULFIDE 6.960201878.600139.800 175 357Y3 0 614C15H18 1-PENTYLNAPHTHALENE 7.074302000.000170.000 185 360Y8 0 615C15H18 2-PENTYLNAPHTHALENE 7.060002005.900170.000 190 370Y8 0 616C15H24 1-PHENYLNONANE 7.024501862.600167.500 142 316Y3 0 617C15H28 1-PENTADECYNE 7.205531972.070188.000 140 349Y9 0 618C15H30 1-PENTADECENE 7.015551781.974162.582 134 302Y3 0 619C15H30 1-CYCLOPENTYLDECANE 7.003491825.748163.479 141 314Y3 0 620C15H30 1-CYCLOHEXYLNONANE 7.000601850.200167.600 141 316Y3 0 621C15H32 PENTADECANE 7.023591789.950161.380 136 304Y3 0 622C15H32O 1-PENTADECANOL 6.23737 1204.5 54 230 339N 606 623C15H32S BUTYL-UNDECYL-SULFIDE 5.53347 1421.32 205.81 196 397N 282 624C15H32S DODECYL-PROPYL-SULFIDE 5.53347 1421.32 205.81 196 397N 282 625C15H32S ETHYL-TRIDECYL-SULFIDE 5.53347 1421.32 205.81 196 397N 282 626C15H32S METHYL-TETRADECYL-SULFIDE 5.53347 1421.32 205.81 196 397N 282 627C15H32S 1-PENTADECANETHIOL 7.061201951.000146.000 176 356Y3 0 628C16H26 1-PHENYLDECANE 7.036421904.132160.318 155 333Y3 0 629C16H26 PENTAETHYLBENZENE 8.294952972.770272.052 86 277Y6 0 630C16H30 1-HEXADECYNE 7.475112154.700185.000 172 367Y9 0 631C16H32 1-HEXADECENE 7.044371843.581157.917 147 319Y3 0 632C16H32 1-CYCLOPENTYLUNDECANE 7.020001869.200156.000 154 330Y3 0 633C16H32 1-CYCLOHEXYLDECANE 7.018521899.242161.348 154 333Y3 0 634C16H34 HEXADECANE 7.028671830.510154.450 149 321Y3 0 635C16H34O 1-HEXADECANOL 6.158601380.000 91.000 145 190Y4 0 636C16H34S BUTYL-DODECYL-SULFIDE 5.46123 1421.32 205.81 204 416N 282 637C16H34S ETHYL-TETRADECYL-SULFIDE 5.46123 1421.32 205.81 204 416N 282 638C16H34S METHYL-PENTADECYL-SULFIDE 5.46123 1421.32 205.81 204 416N 282 639C16H34S OCTYL-SULFIDE 5.46123 1421.32 205.81 204 416N 282 640C16H34S PROPYL-TRIDECYL-SULFIDE 5.46123 1421.32 205.81 204 416N 282 641C16H34S 1-HEXADECANETHIOL 7.075001990.000140.000 188 370Y3 0 642C16H34S2OCTYL-DISULFIDE 6.957901935.600129.000 196 383Y3 0 643C17H28 1-PHENYLUNDECANE 7.050901944.100153.000 168 349Y3 0 644C17H32 1-HEPTADECYNE 7.488292216.200182.000 184 384Y9 0 645C17H34 1-HEPTADECENE 7.039251877.910151.530 159 335Y3 0 646C17H34 1-CYCLOPENTYLDODECANE 7.031901909.100149.000 168 346Y3 0 647C17H34 1-CYCLOHEXYLUNDECANE 7.029001939.700154.500 167 349Y3 0 648C17H36 HEPTADECANE 7.014301865.100149.200 161 337Y3 0 649C17H36O 1-HEPTADECANOL 6.782001595.000 85.060 191 383Y1 0 650C17H36S BUTYL-TRIDECYL-SULFIDE 5.39727 1421.32 205.81 212 434N 282 651C17H36S ETHYL-PENTADECYL-SULFIDE 5.39727 1421.32 205.81 212 434N 282 652C17H36S HEXADECYL-METHYL-SULFIDE 5.39727 1421.32 205.81 212 434N 282 653C17H36S PROPYL-TETRADECYL-SULFIDE 5.39727 1421.32 205.81 212 434N 282 654C17H36S 1-HEPTADECANETHIOL 7.081002027.000135.000 198 384Y3 0 655C18H30 1-PHENYLDODECANE 7.069301981.600145.500 181 363Y3 0 656C18H30 HEXAETHYLBENZENE 7.502882360.733212.652 134 298Y6 0 657C18H34 1-OCTADECYNE 7.507872281.100180.000 196 400Y9 0 658C18H36 1-OCTADECENE 7.045181917.900145.900 171 350Y3 0 659C18H36 1-CYCOPENTYLTRIDECANE 7.047301947.000141.900 180 361Y3 0 660C18H36 1-CYCLOHEXYLDODECANE 7.036201976.700148.000 179 364Y3 0 661C18H38 OCTADECANE 7.002201894.300143.300 172 352Y3 0 662C18H38O 1-OCTADECANOL 6.814001632.000 80.060 201 385Y1 0 663C18H38S BUTYL-TETRADECYL-SULFIDE 5.3364 1421.32 205.81 220 452N 282 664C18H38S ETHYL-HEXADECYL-SULFIDE 5.3364 1421.32 205.81 220 452N 282 665C18H38S HEPTADECYL-METHYL-SULFIDE 5.3364 1421.32 205.81 220 452N 282 666C18H38S NONYL-SULFIDE 5.3364 1421.32 205.81 220 452N 282 667C18H38S PENTADECYL-PROPYL-SULFIDE 5.3364 1421.32 205.81 220 452N 282 668C18H38S 1-OCTADECANETHIOL 7.096002061.000129.000 209 397Y3 0 669C18H38S2NONYL-DISULFIDE 6.960501981.500117.000 215 407Y3 0 670C19H32 1-PHENYLTRIDECANE 7.084302013.900137.900 193 377Y3 0 671C19H36 1-NONADECYNE 7.517112336.700177.000 208 416Y9 0 672C19H38 1-NONADECENE 7.057101961.600141.200 183 364Y3 0 673C19H38 1-CYCLOPENTYLTETRADECANE 7.063001982.000135.000 192 375Y3 0 674C19H38 1-CYCLOHEXYLTRIDECANE 7.046902012.200141.500 191 378Y3 0 675C19H40 NONADECANE 7.015301932.800137.600 184 366Y3 0 676C19H40O 1-NONADECANOL 6.60769 1632 80.06 274 395N 662 677C19H40S BUTYL-PENTADECYL-SULFIDE 5.28246 1421.32 205.81 227 468N 282 678C19H40S ETHYL-HEPTADECYL-SULFIDE 5.28246 1421.32 205.81 227 468N 282 679C19H40S HEXADECYL-PROPYL-SULFIDE 5.28246 1421.32 205.81 227 468N 282 680C19H40S METHYL-OCTADECYL-SULFIDE 5.28246 1421.32 205.81 227 468N 282 681C19H40S 1-NONADECANETHIOL 7.105002094.000124.000 219 409Y3 0 682C20H34 1-PHENYLTETRADECANE 7.101002042.000130.000 205 390Y3 0 683C20H38 1-EICOSYNE 7.523362386.300174.000 219 431Y9 0 684C20H40 1-EICOSENE 7.057701995.300136.000 193 378Y3 0 685C20H40 1-CYCLOPENTYLPENTADECANE 7.083002016.000128.000 203 388Y3 0 686C20H40 1-CYCLOHEXYLTETRADECANE 7.061002046.000135.000 203 392Y3 0 687C20H42 EICOSANE 7.152202032.700132.100 198 379Y3 0 688C20H42O 1-EICOSANOL 6.872001699.000 70.060 219 406Y1 0 689C20H42S BUTYL-HEXADECYL-SULFIDE 5.23473 1421.32 205.81 233 484N 282 690C20H42S DECYL-SULFIDE 5.23473 1421.32 205.81 233 484N 282 691C20H42S ETHYL-OCTADECYL-SULFIDE 5.23473 1421.32 205.81 233 484N 282 692C20H42S HEPTADECYL-PROPYL-SULFIDE 5.23473 1421.32 205.81 233 484N 282 693C20H42S METHYL-NONADECYL-SULFIDE 5.23473 1421.32 205.81 233 484N 282 694C20H42S 1-EICOSANETHIOL 7.114002125.000119.000 229 421Y3 0 695C20H42S2DECYL-DISULFIDE 6.972002019.000103.100 235 429Y3 0 696C21H36 1-PHENYLPENTADECANE 7.114002067.000122.000 216 403Y3 0 697C21H42 1-CYCLOPENTYLHEXADECANE 7.103002048.000121.000 215 401Y3 0 698C21H42 1-CYCLOHEXYLPENTADECANE 7.072002078.000129.000 213 404Y3 0 699C22H38 1-PHENYLHEXADECANE 7.140002095.000114.000 227 415Y3 0 700C22H44 1-CYCLOHEXYLHEXADECANE 7.074002099.000122.000 224 416Y3 0