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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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88798 49956870 1 BrFSN3O3H21C24 ABCD3E3F21G24 -99.02 7.44 -8.88 -1.33 0
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88799 49956874 2 NO2C13H14 AB2C13D14 -105.33 3.29 -9.03 -0.34 0
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88800 49956875 1 N3O3C23H29 A3B3C23D29 -91.89 3.68 -8.73 -0.27 0
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88801 49956876 1 N3O3C23H29 A3B3C23D29 -91.22 5.19 -8.74 -0.65 0
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88802 49956877 1 BrSO3N4C25H31 ABC3D4E25F31 -70.28 8.28 -8.44 -0.75 0
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88803 49956879 1 BrN2O3C21H25 AB2C3D21E25 -110.43 3.73 -9.19 -0.62 0
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88804 49956880 1 BrClN2O3C19H20 ABC2D3E19F20 -102.86 3.47 -9.27 -0.84 0
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88805 49956882 1 BrSO3N4C26H33 ABC3D4E26F33 -82.43 3.19 -8.71 -1.04 0
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88806 49956904 2 NO2C11H14 AB2C11D14 -146.51 4.15 -9.12 -0.3 0
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88807 49956936 1 Cl2N2O3C19H20 A2B2C3D19E20 -114.22 5.02 -9.22 -0.88 0
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88808 49956950 1 NO2C18H21 AB2C18D21 -61.03 5.4 -8.75 -0.09 0
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88809 49956953 1 NO2C19H21 AB2C19D21 -38.23 4.05 -8.8 -0.41 0
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88810 49956961 1 NO3C20H25 AB3C20D25 -105.08 4.55 -8.85 0.14 0
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88811 49956990 1 BrSO3N4C28H29 ABC3D4E28F29 -31.78 6.65 -8.85 -1.04 0
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88812 49956991 1 FN2O3H23C28 AB2C3D23E28 -76.84 4.41 -9.01 -0.54 0
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88813 49956992 1 BrSN3O3C25H30 ABC3D3E25F30 -90.26 5.85 -8.78 -1.26 0
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88814 49956993 1 FISN3O3H17C22 ABCD3E3F17G22 -64.55 8.07 -8.98 -1.29 0
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88815 49956995 1 BrSN3O3C26H32 ABC3D3E26F32 -95.32 5.19 -8.88 -0.98 0
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88816 49956996 1 SO2N3C19H29 AB2C3D19E29 -103.0 7.23 -8.93 -0.92 0
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88817 49957002 1 FSN3O4H24C29 ABC3D4E24F29 -93.55 9.78 -8.88 -0.85 0
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88818 49957007 1 BrN2O3C18H19 AB2C3D18E19 -93.54 4.01 -9.25 -0.5 0
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88819 49957008 1 N2O3C24H30 A2B3C24D30 -107.91 6.17 -9.02 -0.22 0
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88820 49957009 2 NO2C10H12 AB2C10D12 -129.44 1.31 -9.22 -0.47 0
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88821 49957010 1 FCl2N2O3H17C22 AB2C2D3E17F22 -117.15 5.62 -8.99 -0.91 0
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88822 49957011 1 N4O5C21H24 A4B5C21D24 -83.91 9.58 -8.87 -1.33 0