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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133061 51470936 1 SO2N5C27H41 AB2C5D27E41 -89.47 3.58 -8.51 -0.18 1
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133062 51471353 1 O2N7H22C23 A2B7C22D23 85.54 8.58 0.0 0.0 0
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133063 51471484 1 O2S2N3C22H25 A2B2C3D22E25 -29.19 3.27 -9.05 -0.32 0
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133064 51471485 1 O2S2N3C22H25 A2B2C3D22E25 -28.45 7.39 -9.05 -0.58 -1
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133065 51471665 1 O3N4H7C10 A3B4C7D10 16.12 2.52 0.0 0.0 -1
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133066 51471666 1 BrSO2N5H9C13 ABC2D5E9F13 45.64 8.02 0.0 0.0 -1
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133067 51471667 1 SO3N5H12C14 AB3C5D12E14 5.88 7.57 0.0 0.0 0
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133068 51471786 1 FSO3N5C18H22 ABC3D5E18F22 -54.93 12.49 -9.27 -1.27 0
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133069 51472854 1 SO2N5C24H39 AB2C5D24E39 -98.41 3.97 -9.06 -0.67 0
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133070 51473102 1 FOS2N4C18H23 ABC2D4E18F23 -27.17 3.67 -8.55 -1.12 1
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133071 51473103 1 SN4O5C27H31 AB4C5D27E31 -33.85 13.28 0.0 0.0 1
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133072 51473280 1 ClSN2O3C17H22 ABC2D3E17F22 -56.28 5.98 0.0 0.0 0
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133073 51473715 1 N4O5H16C22 A4B5C16D22 -95.79 5.48 -9.29 -1.55 -1
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133074 51474082 1 SN3O4C13H14 AB3C4D13E14 -97.88 9.21 0.0 0.0 0
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133075 51474325 1 N3S3O4C18H23 A3B3C4D18E23 -110.04 4.86 -9.11 -1.18 0
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133076 51474326 1 S2O3N4H20C22 A2B3C4D20E22 16.15 5.71 -8.67 -1.01 0
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133077 51474327 1 ClSN3O3H14C15 ABC3D3E14F15 -67.29 3.08 -9.23 -1.0 0
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133078 51474328 1 ClSN3O3H14C15 ABC3D3E14F15 -64.02 3.36 -9.02 -0.73 0
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133079 51474329 1 Cl2N3O4H11C15 A2B3C4D11E15 -88.66 4.68 -9.85 -1.88 0
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133080 51474330 1 SCl2N3O3H21C22 AB2C3D3E21F22 -76.64 7.45 -8.86 -0.44 0
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133081 51474331 1 SCl2N3O3H21C22 AB2C3D3E21F22 -77.92 6.21 -8.97 -0.51 0
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133082 51474559 1 N2O4H18C23 A2B4C18D23 -16.12 6.55 -8.76 -1.18 0
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133083 51474859 1 SO2N4C21H30 AB2C4D21E30 -41.29 3.01 -8.91 -0.28 0
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133084 51474860 1 SF3O3N4C21H21 AB3C3D4E21F21 -198.33 9.34 -9.09 -0.84 0
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133085 51474861 1 SF3O3N4C21H21 AB3C3D4E21F21 -196.16 10.87 -9.12 -0.72 0