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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413161 135086106 1 F3N4H10C13 A3B4C10D13 -28.88 3.66 0.0 0.0 1
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413162 135086107 1 FN4H12C13 AB4C12D13 76.89 3.21 0.0 0.0 0
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413163 135086108 2 SO2C13H14 AB2C13D14 -104.66 1.84 -8.49 -0.62 0
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413164 135086109 1 S2O4C17H20 A2B4C17D20 -139.95 2.7 -8.93 -0.72 0
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413165 135086110 2 SO2C9H11 AB2C9D11 -150.92 3.38 -8.98 -0.73 0
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413166 135086111 1 S2O5C18H22 A2B5C18D22 -183.89 3.95 -8.99 -0.57 0
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413167 135086112 1 S2O3C15H16 A2B3C15D16 -83.09 4.81 -8.89 -0.48 0
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413168 135086113 1 O4C13H20 A4B13C20 -189.74 5.33 -10.34 0.35 0
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413169 135086114 2 O2C7H8 A2B7C8 -99.36 4.14 -8.37 -0.08 0
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413170 135086115 1 INOC13H14 ABCD13E14 48.39 4.54 -9.51 -1.1 0
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413171 135086116 1 BaO2C11H14 AB2C11D14 -314.34 1.8 -8.99 -1.21 0
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413172 135086117 2 OC6H10 AB6C10 -81.28 3.08 -9.92 0.22 0
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413173 135086118 1 NOC9H11 ABC9D11 -5.11 2.89 -9.33 -0.32 0
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413174 135086119 1 ON6C9H16 AB6C9D16 26.03 5.88 -9.28 -0.38 0
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413175 135086120 1 ON2S2C12H22 AB2C2D12E22 -15.98 3.79 -8.52 -0.85 0
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413176 135086121 1 N3O3C8H11 A3B3C8D11 -123.01 5.37 -10.0 -0.57 0
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413177 135086122 1 ClSC11H13 ABC11D13 16.52 1.37 -8.71 -0.27 0
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413178 135086123 1 O2C15H16 A2B15C16 -27.73 6.26 -10.0 -0.71 0
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413179 135086124 1 SiN2O3C14H26 AB2C3D14E26 -152.28 1.86 -8.91 -0.71 1
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413180 135086125 1 SiN2O3C14H27 AB2C3D14E27 -140.25 5.78 0.0 0.0 0
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413181 135086127 1 ClN2O2C14H19 AB2C2D14E19 -76.3 2.16 -9.07 -0.29 0
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413182 135086128 1 ClFN2O2C13H16 ABC2D2E13F16 -109.98 3.63 -9.03 -0.57 0
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413183 135086129 1 SN2C18H22 AB2C18D22 63.72 1.61 -8.31 -0.62 0
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413184 135086130 1 N2O4C15H26 A2B4C15D26 -165.84 3.18 -9.64 -0.11 0
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413185 135086131 1 NSO2C20H27 ABC2D20E27 -20.86 4.96 -9.84 -0.35 0
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413186 135086132 1 NSO2C24H27 ABC2D24E27 15.14 5.3 -8.98 -0.41 0
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413187 135086133 1 NOSC8H9 ABCD8E9 40.62 0.92 -9.18 -0.55 0
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413188 135086134 1 SN2O4C19H22 AB2C4D19E22 -44.48 5.44 -9.17 -1.7 0
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413189 135086135 1 SN2O5C19H22 AB2C5D19E22 -75.28 6.78 -8.78 -1.69 0
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413190 135086136 1 NC17H17 AB17C17 91.61 1.42 -8.56 0.29 0
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413191 135086137 1 N2O4H16C19 A2B4C16D19 -64.01 4.66 -8.69 -0.64 0
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413192 135086138 1 SN3O6H23C26 AB3C6D23E26 -119.12 10.29 -8.54 -0.99 0
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413193 135086139 1 ClNSO2H16C18 ABCD2E16F18 22.46 8.85 -8.48 -0.75 0
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413194 135086140 1 NSO3C19H19 ABC3D19E19 -8.14 8.34 -8.14 -0.7 0
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413195 135086141 1 NSSiO3C29H37 ABCD3E29F37 -110.78 5.43 -9.01 -0.6 0
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413196 135086142 1 NO2C6H11 AB2C6D11 -48.79 3.29 -9.39 0.51 0
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413197 135086143 2 OC7H7 AB7C7 -7.63 1.72 -9.47 -0.36 0
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413198 135086144 1 NO6H17C19 AB6C17D19 -150.29 4.91 -9.66 -1.1 0
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413199 135086145 1 ClNO4H14C17 ABC4D14E17 -74.19 4.55 -9.43 -0.87 0
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413200 135086146 1 NSO2C17H27 ABC2D17E27 -85.0 6.39 -9.61 -0.37 0
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413201 135086147 1 NO2H19C23 AB2C19D23 12.86 3.53 -9.39 -0.43 0
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413202 135086148 1 NO3C16H21 AB3C16D21 -117.98 1.61 -9.57 0.06 0
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413203 135086149 1 NSO4H15C20 ABC4D15E20 10.09 6.01 -9.3 -0.52 0
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413204 135086150 1 IO4H9C12 AB4C9D12 -117.8 6.12 -9.37 -1.43 0
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413205 135086151 1 AgO2C6H7 AB2C6D7 -11.99 2.16 -8.43 -2.99 0
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413206 135086152 2 NOH8C9 ABC8D9 -0.43 4.44 -8.91 -0.63 0
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413207 135086153 2 NOH8C10 ABC8D10 2.51 4.13 -8.93 -0.86 0
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413208 135086154 1 BrClO5C13H20 ABC5D13E20 -252.12 4.32 -10.58 -0.75 0
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413209 135086155 2 OC7H12 AB7C12 -112.95 1.91 -9.32 0.44 0
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413210 135086156 1 SiO2C23H28 AB2C23D28 -54.17 1.9 -9.04 -0.05 0