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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40903 8144933 1 SN3O5C19H25 AB3C5D19E25 -139.95 8.27 -8.49 -0.82 1
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40904 8144934 1 S2O3N4C18H25 A2B3C4D18E25 -61.12 14.62 0.0 0.0 0
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40905 8144935 1 S2O3N4C18H24 A2B3C4D18E24 -54.51 7.64 -8.21 -0.76 0
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40906 8144938 1 BrN3H20C23 AB3C20D23 104.55 4.22 -8.34 -0.58 1
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40907 8144939 1 S2O3N4C18H25 A2B3C4D18E25 -29.95 14.06 0.0 0.0 0
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40908 8144940 1 S2O3N4C18H24 A2B3C4D18E24 -56.41 3.65 -8.21 -0.63 0
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40909 8144942 1 SO2N4C15H20 AB2C4D15E20 -25.36 1.67 -8.23 -0.95 0
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40910 8144943 1 BrN3H20C23 AB3C20D23 102.05 6.2 -8.41 -0.56 1
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40911 8144944 1 SO3N4C21H25 AB3C4D21E25 -5.99 6.09 0.0 0.0 1
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40912 8144946 1 SO2N5C22H26 AB2C5D22E26 33.71 5.35 0.0 0.0 0
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40913 8144947 1 SO2N5C22H25 AB2C5D22E25 14.05 2.98 -8.42 -0.96 1
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40914 8144948 1 SO2N4C18H25 AB2C4D18E25 -10.72 6.1 0.0 0.0 0
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40915 8144950 1 FN2S2O3H15C19 AB2C2D3E15F19 -74.07 3.85 -8.53 -1.96 0
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40916 8144952 1 O2S2N4C19H26 A2B2C4D19E26 -34.22 6.41 -8.21 -0.8 0
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40917 8144954 1 SO2N5C16H23 AB2C5D16E23 -32.28 2.27 -8.36 -0.96 1
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40918 8144955 1 ClSN3O3C17H21 ABC3D3E17F21 -55.28 6.6 0.0 0.0 0
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40919 8144956 1 ClSN3O3C17H20 ABC3D3E17F20 -74.27 5.54 -8.78 -1.18 1
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40920 8144957 1 SO2N5C18H26 AB2C5D18E26 -7.6 5.27 0.0 0.0 0
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40921 8144958 1 SO2N5C18H25 AB2C5D18E25 -10.74 3.11 -8.61 -0.48 0
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40922 8144960 1 SO2N5C18H25 AB2C5D18E25 -12.14 2.34 -8.57 -0.45 1
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40923 8144961 1 N3O4C20H28 A3B4C20D28 -153.34 3.03 0.0 0.0 0
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40924 8144963 1 N2O2S2H8C13 A2B2C2D8E13 93.72 5.28 -8.87 -1.58 0
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40925 8144965 1 N3O4C20H27 A3B4C20D27 -171.25 0.78 -8.64 0.01 1
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40926 8144966 1 N3O4C24H24 A3B4C24D24 -38.7 12.2 0.0 0.0 0
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40927 8144967 1 N3O4H23C24 A3B4C23D24 -57.58 11.14 -8.89 -0.82 0