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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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77027 48425723 1 FSN3O3C18H22 ABC3D3E18F22 -159.99 4.79 -8.97 -0.54 0
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77028 48425724 1 SO2N3C16H21 AB2C3D16E21 -52.26 6.59 -9.11 -0.71 0
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77029 48425726 2 NO2C9H12 AB2C9D12 -147.06 5.04 -8.27 -0.73 0
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77030 48425727 1 SO2N3C15H23 AB2C3D15E23 -83.28 2.46 -8.72 -0.52 0
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77031 48425728 1 BrN2O4C16H21 AB2C4D16E21 -159.02 2.28 -8.87 -0.36 0
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77032 48425730 1 O2S2N3C14H17 A2B2C3D14E17 -29.49 0.96 -9.08 -1.14 0
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77033 48425731 1 N3O3C17H23 A3B3C17D23 -121.32 7.09 -8.62 0.2 0
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77034 48425732 1 N2O3C13H20 A2B3C13D20 -118.84 2.67 -9.34 -0.12 0
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77035 48425734 1 N3O3C16H29 A3B3C16D29 -171.09 5.13 -9.06 0.75 0
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77036 48425735 1 O2N5C11H19 A2B5C11D19 -52.32 4.73 -9.76 0.01 0
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77037 48425736 1 FN2O3C15H21 AB2C3D15E21 -171.44 5.89 -9.18 0.05 0
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77038 48425737 1 O2N3C21H29 A2B3C21D29 -76.91 2.67 -8.49 -0.01 0
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77039 48425738 1 O3N4C15H26 A3B4C15D26 -110.18 3.92 -9.74 -0.16 0
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77040 48425740 1 N3O4C18H25 A3B4C18D25 -131.28 6.15 -8.82 -0.57 0
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77041 48425741 1 O2S2N3C15H19 A2B2C3D15E19 -40.65 2.45 -8.98 -1.05 0
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77042 48425742 1 FN2O3C15H21 AB2C3D15E21 -171.17 3.15 -9.3 -0.1 0
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77043 48425743 1 SN2O3C11H22 AB2C3D11E22 -147.69 3.31 -8.67 0.31 0
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77044 48425744 1 N3O3C16H27 A3B3C16D27 -139.73 2.06 -9.26 0.94 0
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77045 48425745 1 N3O3C20H29 A3B3C20D29 -137.38 4.76 -9.16 0.44 0
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77046 48425746 1 N3O4C12H23 A3B4C12D23 -207.16 2.24 -9.64 0.62 0
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77047 48425747 1 O2N3C17H23 A2B3C17D23 -64.87 5.02 -8.42 0.1 0
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77048 48425748 1 N3O4C11H21 A3B4C11D21 -198.4 4.78 -9.83 0.45 0
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77049 48425749 1 SN3O3C10H19 AB3C3D10E19 -153.8 8.23 -9.07 -0.15 0
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77050 48425751 1 N2O3C13H26 A2B3C13D26 -170.01 2.86 -9.55 0.73 0
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77051 48425752 1 O3N4C17H30 A3B4C17D30 -160.31 4.48 -9.34 0.79 0