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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147221 53786875 1 SO3C7H8 AB3C7D8 -95.75 2.42 -8.76 -0.33 0
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147222 53786876 1 Cl2O3N6H22C27 A2B3C6D22E27 34.01 2.81 -9.29 -0.62 0
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147223 53786877 1 NO2C30H47 AB2C30D47 -118.43 4.45 -8.62 -0.32 0
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147224 53786878 2 NOC10H16 ABC10D16 -98.58 2.22 -9.44 -0.32 0
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147225 53786879 1 O2N3C23H49 A2B3C23D49 -179.97 3.47 -8.9 1.01 0
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147226 53786880 1 OH10C11 AB10C11 12.89 0.9 -8.56 -0.03 0
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147227 53786881 1 NO4C26H35 AB4C26D35 -178.46 4.21 -8.38 0.35 1
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147228 53786882 1 N2O3C27H33 A2B3C27D33 -45.26 4.26 0.0 0.0 1
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147229 53786883 1 N4O10C21H27 A4B10C21D27 -267.71 12.58 0.0 0.0 0
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147230 53786884 1 N2O7C28H34 A2B7C28D34 -216.01 5.27 -8.59 -0.98 0
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147231 53786885 1 N3O6C30H47 A3B6C30D47 -270.79 7.55 -8.83 -0.04 0
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147232 53786886 1 ClSN3O3C22H28 ABC3D3E22F28 -84.13 2.5 -8.73 -0.2 0
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147233 53786887 1 ON3C10H11 AB3C10D11 -7.04 4.79 -8.21 -0.48 0
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147234 53786888 1 ClNSO3C10H12 ABCD3E10F12 -123.94 8.8 -8.39 -0.93 0
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147235 53786889 2 SiO3S4C6H15 AB3C4D6E15 -447.64 8.18 -8.18 -1.64 0
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147236 53786890 2 N2O2H3C4 A2B2C3D4 -107.12 3.85 -9.78 -1.04 0
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147237 53786891 1 F2O2C17H22 A2B2C17D22 -191.05 1.93 -9.63 -0.38 0
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147238 53786892 1 O5C25H28 A5B25C28 -183.58 6.47 -8.71 -0.8 0
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147239 53786893 1 NOC17H27 ABC17D27 -44.6 5.07 -8.88 0.84 0
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147240 53786894 1 NOC17H27 ABC17D27 -75.59 5.0 -9.07 1.16 1
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147241 53786895 1 ON6H17C19 AB6C17D19 188.33 4.53 0.0 0.0 0
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147242 53786896 1 FNO5C27H30 ABC5D27E30 -234.96 2.11 -8.79 -0.58 0
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147243 53786897 1 SO2N4C6H8 AB2C4D6E8 -25.83 3.24 -9.43 -1.4 0
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147244 53786898 2 ClNO2C15H17 ABC2D15E17 -114.38 6.93 -8.8 -0.46 0
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147245 53786899 1 NO2C11H17 AB2C11D17 -73.97 3.24 -10.8 -0.9 0