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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
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413236 135086183 1 BrO2N3C12H12 AB2C3D12E12 24.45 1.62 -9.95 -0.74 0
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413237 135086184 1 O2N3C13H15 A2B3C13D15 11.3 2.06 -9.67 -0.4 1
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413238 135086185 1 NC9H12 AB9C12 18.93 1.77 0.0 0.0 0
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413239 135086186 1 NOH19C20 ABC19D20 36.76 0.44 -8.41 -0.47 0
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413240 135086187 1 NOF4H11C15 ABC4D11E15 -176.47 4.71 -9.0 -0.94 1
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413241 135086188 1 ClN4H10C12 AB4C10D12 121.11 1.55 0.0 0.0 1
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413242 135086189 1 F3N4H10C13 A3B4C10D13 -32.12 3.58 0.0 0.0 1
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413243 135086190 1 FN4H12C13 AB4C12D13 74.92 4.32 0.0 0.0 0
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413244 135086191 1 SO4C9H10 AB4C9D10 -121.27 4.66 -9.44 -1.16 0
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413245 135086192 1 OCl3C12H21 AB3C12D21 -106.74 3.18 -10.61 -0.84 0
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413246 135086193 1 OCl3C7H11 AB3C7D11 -80.39 3.27 -10.47 -0.81 0
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413247 135086194 1 ClSO3H13C15 ABC3D13E15 -71.74 7.82 -9.54 -0.72 0
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413248 135086195 1 ClNO3H14C19 ABC3D14E19 -48.58 2.35 -8.96 -1.18 0
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413249 135086196 1 NSO3H11C17 ABC3D11E17 22.94 4.18 -8.86 -0.93 0
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413250 135086197 1 ClN2O3C13H15 AB2C3D13E15 -96.54 4.55 -8.86 -0.7 0
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413251 135086198 1 BrN2O3C13H15 AB2C3D13E15 -85.51 3.73 -8.96 -0.76 0
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413252 135086199 1 O2N4H20C23 A2B4C20D23 33.42 4.53 -8.53 -1.01 0
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413253 135086200 1 ON3H17C20 AB3C17D20 43.58 5.15 -8.15 -0.54 0
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413254 135086201 3 NOH7C10 ABC7D10 118.58 8.29 -8.72 -1.44 0
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413255 135086202 1 ON2C15H20 AB2C15D20 -2.74 3.51 -8.41 -0.36 0
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413256 135086203 2 NC10H11 AB10C11 67.23 3.91 -8.33 -0.19 0
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413257 135086204 1 N2O3H12C13 A2B3C12D13 10.99 8.51 -9.01 -1.31 0
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413258 135086205 1 NO3C16H17 AB3C16D17 -75.06 3.93 -8.62 -0.69 0
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413259 135086206 1 SN2O4H18C19 AB2C4D18E19 -40.74 4.17 -8.25 -0.75 0
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413260 135086207 1 N2O2C15H18 A2B2C15D18 -1.54 0.6 -8.02 -0.2 0