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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383850 134975848 2 OC3H5 AB3C5 -77.04 1.35 -9.15 0.97 0
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383851 134975854 1 O2N3C14H23 A2B3C14D23 -104.61 8.49 -9.39 0.0 0
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383852 134975855 2 ON2C5H5 AB2C5D5 -38.89 6.47 -9.23 -0.7 0
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383853 134975856 1 C13H20 A13B20 18.06 0.08 -8.59 1.3 0
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383854 134975859 1 PH15C17 AB15C17 75.52 1.81 -9.1 0.21 1
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383855 134975860 1 RbC5H5 AB5C5 -8.82 9.56 -7.01 1.46 0
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383856 134975864 1 O2C13H22 A2B13C22 -81.85 2.05 -10.21 0.11 0
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383857 134975865 1 O2C7H12 A2B7C12 -85.49 0.41 -8.66 0.88 0
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383858 134975867 1 OC14H16 AB14C16 -10.37 1.02 -8.93 0.4 0
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383859 134975870 1 OC11H14 AB11C14 2.13 4.41 -9.61 0.04 0
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383860 134975872 1 OSiC12H24 ABC12D24 -92.12 0.67 -9.2 0.93 0
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383861 134975873 2 OC7H10 AB7C10 -65.49 2.52 -9.92 0.55 0
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383862 134975879 1 OC15H28 AB15C28 -74.1 1.93 -9.51 2.27 0
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383863 134975881 1 NOC11H15 ABC11D15 -15.84 2.02 -8.38 0.33 0
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383864 134975884 1 OC12H24 AB12C24 -88.92 2.1 -8.47 1.48 0
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383865 134975886 1 BrClC12H14 ABC12D14 15.94 2.45 -9.49 -0.34 0
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383866 134975887 1 SO2Cl3C9H9 AB2C3D9E9 -86.73 5.61 -10.41 -0.8 0
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383867 134975888 1 Cl3O3C8H13 A3B3C8D13 -172.71 2.41 -10.08 -0.56 0
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383868 134975890 1 LiOSiC11H21 ABCD11E21 -52.24 6.17 -7.07 1.65 0
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383870 134975895 1 NSi2C11H19 AB2C11D19 -44.24 0.58 -7.67 0.39 0
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383871 134975898 1 O3C16H22 A3B16C22 -121.63 2.92 -9.6 -0.24 0
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383872 134975899 1 N3O3C7H11 A3B3C7D11 -54.02 1.84 -10.41 -0.96 0
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383873 134975900 1 S2O3H12C13 A2B3C12D13 -50.44 3.42 -8.55 -1.38 0
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383874 134975901 1 NSO2C14H19 ABC2D14E19 -69.79 7.35 -8.01 -0.5 0
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383875 134975902 1 SC13H20 AB13C20 65.09 0.71 -8.62 0.15 0
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383876 134975904 1 LiO2C6H11 AB2C6D11 -72.93 4.78 -7.38 1.81 0
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383877 134975905 1 SO2C7H10 AB2C7D10 -92.35 5.11 -9.5 -0.39 0
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383878 134975906 1 LiNC10H12 ABC10D12 45.1 4.7 -7.04 0.47 0
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383879 134975907 1 LiNOSiC8H14 ABCDE8F14 -69.94 10.58 -6.57 1.55 0
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383880 134975909 1 SO2C15H16 AB2C15D16 -26.71 3.43 -8.65 -0.32 0
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383881 134975910 1 OC13H18 AB13C18 -45.9 2.91 -9.35 0.36 0
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383882 134975911 1 NO2C12H19 AB2C12D19 -93.42 6.08 -9.7 0.62 0
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383883 134975912 1 NO3C13H23 AB3C13D23 -170.33 3.96 -9.32 1.09 0
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383884 134975914 1 LiO2C7H11 AB2C7D11 -115.75 3.97 -7.49 1.81 0
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383885 134975915 1 O2Cl3C7H11 A2B3C7D11 -141.53 3.06 -11.16 -0.6 0
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383886 134975917 1 SO3C8H12 AB3C8D12 -95.52 2.29 -8.87 -0.12 1
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383887 134975919 1 BrPN4C9H21 ABC4D9E21 -44.61 6.23 0.0 0.0 0
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383888 134975921 1 NCl2H11C13 AB2C11D13 69.09 3.59 -9.95 -0.45 0
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383889 134975922 1 NSH15C16 ABC15D16 68.4 3.22 -9.12 -0.49 0
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383890 134975926 1 BO2N3C6H11 AB2C3D6E11 -35.96 4.91 0.0 0.0 0
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383891 134975928 1 NC11H17 AB11C17 1.27 2.19 -8.12 1.44 0
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383892 134975929 1 BrOC13H13 ABC13D13 1.43 1.0 -9.28 -0.01 0
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383893 134975930 1 LiOSC8H11 ABCD8E11 -19.12 6.33 -7.56 1.27 0
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383894 134975931 1 SSiC11H20 ABC11D20 -34.94 1.92 -8.48 0.2 0
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383895 134975932 1 OSN2C12H16 ABC2D12E16 9.48 5.27 -8.8 -0.42 0
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383896 134975933 2 OC6H13 AB6C13 -148.29 3.5 -10.11 2.33 0
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383897 134975934 1 LiOC10H21 ABC10D21 -60.29 4.82 -6.84 3.09 0
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383898 134975938 1 SO2C4H4 AB2C4D4 -22.12 1.5 -9.55 -0.58 0
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383899 134975939 1 OC16H20 AB16C20 -2.21 2.03 -9.34 0.21 0
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383900 134975940 1 OSiC16H26 ABC16D26 -83.08 0.33 -9.18 0.46 0