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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408090 135080845 1 CuN12C132H204 AB12C132D204 349.49 15.35 0.0 0.0 0
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408091 135080846 2 N6C66H103 A6B66C103 120.61 9.68 -7.99 -2.37 0
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408092 135080847 1 O3C8H10 A3B8C10 -108.94 3.6 -9.63 0.14 0
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408093 135080848 1 NO3C13H15 AB3C13D15 -80.75 5.81 -8.18 -0.78 0
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408094 135080849 1 O2C11H14 A2B11C14 -60.98 1.31 -8.91 0.2 0
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408095 135080850 1 ON2C11H18 AB2C11D18 -28.83 3.09 -8.85 0.05 0
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408096 135080852 1 O2C13H16 A2B13C16 -91.17 5.89 -9.48 0.08 0
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408097 135080853 1 ON2C12H16 AB2C12D16 -14.32 3.35 -9.36 0.4 0
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408098 135080854 1 ClO3C10H11 AB3C10D11 -129.24 5.05 -9.49 -0.22 0
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408099 135080855 1 N3O5C8H15 A3B5C8D15 -167.64 2.53 -10.15 -0.3 -2
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408100 135080856 1 PC6O7H9 AB6C7D9 -318.97 4.89 -10.25 -1.35 0
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408101 135080857 1 HLiMgS2Cl4C6 ABCD2E4F6 -52.92 7.12 -9.6 -2.13 0
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408102 135080858 1 N2O3C7H10 A2B3C7D10 -83.62 2.01 -9.68 -0.62 1
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408103 135080859 1 N2O3C7H11 A2B3C7D11 -74.75 3.87 0.0 0.0 0
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408104 135080860 2 OC5H6 AB5C6 -42.26 5.18 -8.76 -1.06 0
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408105 135080861 1 ClO3C10H11 AB3C10D11 -99.43 5.18 -9.56 -0.86 0
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408106 135080862 1 NC12H15 AB12C15 25.5 2.03 -9.33 -0.17 -1
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408107 135080863 1 FN2O3C6H6 AB2C3D6E6 -107.04 5.38 0.0 0.0 0
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408108 135080864 1 FN2O3C6H7 AB2C3D6E7 -139.74 6.74 -9.18 -0.02 0
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408109 135080865 1 O2C13H22 A2B13C22 -114.4 3.81 -9.59 0.75 0
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408110 135080866 1 ClOF3H4C8 ABC3D4E8 -140.01 1.79 -9.84 -0.7 0
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408111 135080867 1 O3C12H14 A3B12C14 -89.91 3.99 -9.49 0.04 0
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408112 135080868 2 NOH5C6 ABC5D6 11.3 5.76 -8.6 -0.74 0
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408114 135080870 1 BrClSC10H10 ABCD10E10 27.1 2.31 -8.8 -0.65 0
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408115 135080871 1 ZnN16H32C72 AB16C32D72 871.4 5.02 -7.82 -3.23 0
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408116 135080872 1 BON9H38C51 ABC9D38E51 310.02 9.94 -7.81 -2.03 0
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408117 135080873 1 ZnN8H48C96 AB8C48D96 1112.62 1.66 -7.82 -1.78 0
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408118 135080874 2 N4H25C48 A4B25C48 933.62 12.17 -8.03 -1.63 2
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408119 135080875 1 PbN8H48C96 AB8C48D96 1359.12 3.89 -7.86 -1.7 0
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408120 135080877 1 GaS3N8O10H22C39 AB3C8D10E22F39 14.45 4.95 0.0 0.0 0
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408121 135080878 1 ClBr2H2C4F5 AB2C2D4E5 -254.75 2.48 -11.65 -1.93 0
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408122 135080879 1 N2O4C9H12 A2B4C9D12 -182.64 2.34 -10.74 -0.31 0
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408123 135080880 1 NO3C11H21 AB3C11D21 -83.11 3.39 -10.08 -0.61 0
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408124 135080881 1 OSN3C11H13 ABC3D11E13 22.02 5.14 -9.2 -1.75 0
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408125 135080882 1 NOF3H10C12 ABC3D10E12 -174.29 6.74 -9.28 -0.76 0
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408126 135080883 1 OF3C12H13 AB3C12D13 -178.83 4.36 -8.92 0.09 0
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408127 135080887 1 NO3C5H11 AB3C5D11 -77.57 4.87 -10.73 -0.55 0
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408128 135080888 1 ON2C11H14 AB2C11D14 2.39 4.04 -9.94 0.86 0
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408129 135080889 1 SN2O3C8H12 AB2C3D8E12 -76.17 17.78 -8.56 -1.16 0
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408130 135080890 1 SiN2C13H22 AB2C13D22 -4.25 1.73 -8.56 0.18 0
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408131 135080891 1 NO4C11H21 AB4C11D21 -195.6 3.0 -9.13 0.78 0
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408132 135080892 1 SO4C7H14 AB4C7D14 -181.6 4.28 -8.8 -0.3 -1
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408133 135080893 1 O4C5H5 A4B5C5 -122.0 3.37 0.0 0.0 -2
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408134 135080894 1 NO4C7H11 AB4C7D11 -179.53 2.03 -9.03 0.48 -1
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408135 135080895 1 N2O3C7H9 A2B3C7D9 -86.34 5.65 0.0 0.0 0
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408136 135080896 1 N2O3C7H10 A2B3C7D10 -117.75 2.07 -8.66 0.29 0
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408138 135080898 1 NO4C7H11 AB4C7D11 -173.81 2.12 -8.6 0.48 0
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408139 135080899 1 BrClOF2H4C8 ABCD2E4F8 -87.57 1.62 -9.63 -0.89 0
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408140 135080900 1 NC10H19 AB10C19 -26.43 1.2 -8.19 2.87 0
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408141 135080901 1 NC11H21 AB11C21 -32.34 1.25 -8.36 3.03 0