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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180124 76582591 1 O2S2F3N3H20C23 A2B2C3D3E20F23 -148.49 6.09 -8.76 -1.3 0
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180125 76582593 1 BrSN2F3O3H16C22 ABC2D3E3F16G22 -179.22 4.13 -9.15 -1.59 0
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180126 76582625 1 NO2H11C15 AB2C11D15 -0.96 5.11 -9.93 -1.08 0
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180127 76582626 1 SO3N4H24C26 AB3C4D24E26 -0.96 7.66 -7.99 -1.22 0
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180128 76582643 1 ON3C23H23 AB3C23D23 34.62 6.76 -8.25 -0.48 0
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180129 76582782 1 ClSN3O3C24H24 ABC3D3E24F24 -69.51 4.05 -8.95 -0.43 0
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180130 76582783 1 SN3O3C26H29 AB3C3D26E29 -76.98 1.95 -8.51 -0.44 0
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180131 76582848 1 SO3N4H22C24 AB3C4D22E24 -27.18 5.59 -8.25 -0.57 0
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180132 76582966 1 OCl2N4C23H24 AB2C4D23E24 16.03 6.82 -9.44 -0.86 0
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180133 76582969 1 OCl2N5C23H25 AB2C5D23E25 5.39 8.36 -8.96 -0.7 0
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180134 76583116 1 Cl2O2N6C23H24 A2B2C6D23E24 -10.6 10.62 -8.96 -0.91 0
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180135 76583550 1 SN2Cl3O5H19C22 AB2C3D5E19F22 -146.03 5.2 -9.39 -1.06 0
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180136 76583585 2 NSO2C8H10 ABC2D8E10 -138.8 7.77 -9.1 -0.72 0
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180137 76583675 1 FO2N3C22H32 AB2C3D22E32 -138.07 5.35 -8.91 -0.09 0
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180138 76583676 1 N2O2C17H22 A2B2C17D22 -33.27 7.53 -8.9 -1.12 0
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180139 76583677 1 ClN2O2C21H21 AB2C2D21E21 -6.1 8.17 -9.0 -1.05 0
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180140 76583906 1 ClN2O2C18H23 AB2C2D18E23 -46.3 8.53 -9.06 -1.78 0
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180141 76584155 1 S5N10O16C41H42 A5B10C16D41E42 -147.62 10.43 -8.11 -2.61 0
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180142 76584284 1 ClS5N10O15H31C36 AB5C10D15E31F36 -121.01 6.94 -8.06 -2.47 2
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180143 76584385 4 NH18C19 AB18C19 299.01 29.81 -4.69 -2.43 0
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180144 76584602 1 F2N4O7C37H44 A2B4C7D37E44 -342.18 7.51 -9.33 -0.66 0
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180145 76584783 1 ClON4C25H33 ABC4D25E33 -13.14 6.47 -8.75 -0.14 0
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180146 76584812 1 Cl2O3N5C23H33 A2B3C5D23E33 -126.85 3.55 -8.93 -0.44 0
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180147 76584952 1 Cl2O2F3N5C20H26 A2B2C3D5E20F26 -238.27 4.04 -9.14 -0.64 0
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180148 76585876 1 RuN4C8H12 AB4C8D12 271.13 10.31 -6.88 -3.0 0