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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125885 50942054 1 SO2N7C19H23 AB2C7D19E23 -12.04 1.99 -8.78 -0.86 0
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125886 50942079 1 BrN2O4H35C39 AB2C4D35E39 -11.96 15.16 -8.68 -0.71 1
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125887 50942080 1 BrN2O4H36C39 AB2C4D36E39 -23.75 4.2 0.0 0.0 0
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125888 50942108 1 OC17H24 AB17C24 -23.44 2.64 -9.1 -0.22 0
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125889 50942152 1 ClSO2N6C22H27 ABC2D6E22F27 -20.5 2.18 -8.7 -0.67 0
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125890 50942429 1 ClN2S2F3O3H12C22 AB2C2D3E3F12G22 -172.53 7.13 -9.05 -1.95 0
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125891 50942543 1 PF5O5C23H32 AB5C5D23E32 -547.35 5.22 -9.24 -0.7 0
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125892 50942544 1 NPF5O5C19H25 ABC5D5E19F25 -506.09 7.06 -9.11 -0.81 0
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125893 50942600 1 SO2N3C23H29 AB2C3D23E29 -32.22 5.24 -8.06 -0.65 1
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125894 50942665 1 ClON2H8C10 ABC2D8E10 49.06 2.22 0.0 0.0 1
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125895 50942667 1 N3O3H8C10 A3B3C8D10 53.84 6.25 0.0 0.0 0
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125896 50942774 2 OC8H15 AB8C15 -133.88 1.93 -9.95 0.64 0
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125897 50942775 2 OC8H15 AB8C15 -132.3 5.95 -9.95 0.42 0
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125898 50942776 1 O2C11H18 A2B11C18 -100.91 2.81 -9.53 0.67 0
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125899 50942860 1 ClO3N6H11C14 AB3C6D11E14 105.78 2.59 -9.0 -2.09 0
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125901 50943200 1 O2N7C24H27 A2B7C24D27 15.54 3.03 -8.45 -0.7 0
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125902 50943274 1 O2N6H22C23 A2B6C22D23 14.72 3.79 -8.62 -0.7 0
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125903 50943275 1 ON5H17C19 AB5C17D19 69.89 6.64 -8.56 -0.75 0
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125904 50943296 1 N2O3C23H28 A2B3C23D28 -92.4 7.01 -8.67 -0.44 0
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125905 50943297 1 N2O3C21H24 A2B3C21D24 -85.42 6.71 -8.72 -0.53 0
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125906 50943363 1 N5O14C36H61 A5B14C36D61 -628.07 5.5 -8.99 0.1 0
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125907 50943589 1 SO3N8C24H32 AB3C8D24E32 -54.91 6.93 -8.36 -0.62 0
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125908 50943673 1 Cl2N2O4S5H16C22 A2B2C4D5E16F22 -68.97 4.72 -8.87 -1.37 0
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125909 50943674 1 N2O4S5H14C20 A2B4C5D14E20 -28.24 5.09 -8.62 -1.1 0
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125910 50943675 2 ClNS2O3H10C13 ABC2D3E10F13 -147.33 1.91 -8.29 -1.33 0