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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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443827 135260112 1 O2C19H26 A2B19C26 -82.64 5.78 -9.38 -0.68 0
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443828 135260114 2 OH10C11 AB10C11 -2.68 4.17 -8.75 -0.97 0
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443829 135260123 1 O3C19H20 A3B19C20 -59.84 1.67 -8.6 0.08 0
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443830 135260124 1 O3C20H24 A3B20C24 -70.23 1.3 -8.06 0.21 1
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443831 135260128 1 PO2N3C13H25 AB2C3D13E25 -117.87 6.5 0.0 0.0 0
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443832 135260131 1 ClO3F6N8H39C42 AB3C6D8E39F42 -217.87 4.0 -8.65 -1.09 0
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443833 135260132 1 ClSF4O4N7H32C36 ABC4D4E7F32G36 -171.15 7.56 -8.58 -1.03 0
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443834 135260134 1 O3F7N8H35C40 A3B7C8D35E40 -253.78 6.7 -8.48 -1.06 0
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443835 135260135 1 BrO2N4F7H22C28 AB2C4D7E22F28 -289.27 8.66 -9.87 -1.21 0
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443836 135260140 1 O3N6F8H24C33 A3B6C8D24E33 -405.94 8.15 -9.46 -1.38 0
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443837 135260142 1 SF2O5N7C36H43 AB2C5D7E36F43 -170.01 1.47 -8.75 -0.98 0
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443838 135260143 1 ClSO4F7N8H32C37 ABC4D7E8F32G37 -328.12 8.12 -8.45 -1.0 0
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443839 135260144 1 ClO2F7N7H29C36 AB2C7D7E29F36 -228.57 6.6 -8.3 -1.04 0
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443840 135260145 1 O3N5F8H27C35 A3B5C8D27E35 -348.37 7.1 -9.74 -1.05 0
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443841 135260147 1 SO4F6N8H32C36 AB4C6D8E32F36 -246.24 6.83 -8.61 -0.96 0
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443842 135260149 1 ClO3F6N7H32C38 AB3C6D7E32F38 -238.65 6.14 -8.58 -1.17 0
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443843 135260150 1 ClO3N6F7H26C37 AB3C6D7E26F37 -239.33 2.13 -9.08 -0.88 0
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443844 135260151 1 O2F6N8H30C37 A2B6C8D30E37 -134.46 8.57 -8.3 -1.15 0
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443845 135260153 1 ClF2O2N5C32H34 AB2C2D5E32F34 -76.85 6.47 -8.45 -1.1 0
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443846 135260154 1 ClF2O2N5C32H34 AB2C2D5E32F34 -95.2 5.81 -8.13 -0.85 0
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443847 135260157 1 N3O5C23H37 A3B5C23D37 -209.11 4.79 -8.79 -0.39 0
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443848 135260158 2 OC11H22 AB11C22 -166.56 2.54 -9.56 0.87 0
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443849 135260159 2 OC9H18 AB9C18 -152.94 2.64 -9.38 0.95 0
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443850 135260160 2 OC9H18 AB9C18 -153.66 2.78 -9.45 1.12 0
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443851 135260161 1 ClO2F6N8H31C38 AB2C6D8E31F38 -153.08 6.96 -8.48 -1.17 0