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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413211 135086157 1 O3C13H20 A3B13C20 -130.5 2.91 -9.25 0.48 0
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413212 135086158 1 NO4C17H27 AB4C17D27 -202.77 1.42 -9.31 0.43 0
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413213 135086159 1 O7C20H22 A7B20C22 -211.52 1.23 -8.27 -0.42 0
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413214 135086160 1 NO6C18H21 AB6C18D21 -195.01 5.85 -7.99 -0.12 0
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413215 135086161 1 OF3H13C17 AB3C13D17 -135.25 2.79 -9.57 -1.16 0
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413216 135086162 1 BrSO2N3H10C11 ABC2D3E10F11 -15.23 6.96 -8.94 -1.22 0
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413217 135086163 1 NS2O3H23C26 AB2C3D23E26 55.4 7.73 -8.09 -0.52 0
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413218 135086164 1 OSeC21H22 ABC21D22 28.75 3.16 -8.61 -0.57 0
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413219 135086165 1 SiO3C26H28 AB3C26D28 -52.25 1.23 -8.74 0.08 0
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413220 135086166 1 SiO2C19H22 AB2C19D22 -37.66 3.77 -8.81 0.21 0
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413221 135086167 1 PO2C19H31 AB2C19D31 -157.43 5.43 -9.26 0.2 0
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413222 135086168 3 OC4H6 AB4C6 -111.44 2.69 -10.06 0.23 0
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413223 135086169 1 O3C7H12 A3B7C12 -132.68 4.13 -9.09 0.91 0
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413224 135086170 1 FOH11C15 ABC11D15 -24.26 1.31 -8.61 -0.47 0
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413225 135086171 1 NO2C19H19 AB2C19D19 -22.67 4.05 -8.79 -0.24 0
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413226 135086173 1 NO3C17H21 AB3C17D21 -120.1 2.4 -9.71 -0.24 0
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413227 135086174 1 BrSO2H13C15 ABC2D13E15 -18.98 8.3 -9.39 -0.57 0
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413228 135086175 2 NO2C9H12 AB2C9D12 -135.21 1.32 -9.64 -0.67 0
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413229 135086176 1 NO2F3C13H14 AB2C3D13E14 -183.94 2.66 -9.33 -0.84 0
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413230 135086177 1 BO2C21H31 AB2C21D31 -168.31 3.2 -9.03 0.58 1
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413231 135086178 1 NC15H18 AB15C18 19.08 3.71 0.0 0.0 0
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413232 135086179 1 OC21H24 AB21C24 -2.23 2.8 -9.31 -0.52 0
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413233 135086180 1 SiC29H44 AB29C44 -27.77 0.78 -8.97 0.46 0
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413234 135086181 1 O4C15H18 A4B15C18 -153.02 3.27 -8.95 0.12 0
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413235 135086182 1 N3O3C13H15 A3B3C13D15 -20.26 2.83 -9.23 -0.36 0