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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151111 53790809 1 ON3C10H17 AB3C10D17 -38.78 5.31 -9.07 0.76 0
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151112 53790810 1 O6C27H34 A6B27C34 -210.69 8.46 -9.01 -0.9 0
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151113 53790811 1 SN7O7C36H45 AB7C7D36E45 -222.48 4.49 -8.3 -0.61 0
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151114 53790812 1 O5N6C22H24 A5B6C22D24 -8.2 5.41 -9.85 -1.61 0
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151115 53790813 1 O2N3H5C6 A2B3C5D6 -24.94 1.32 -9.67 -1.27 0
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151116 53790814 1 ClSO2F3N4H6C14 ABC2D3E4F6G14 43.49 7.65 -9.07 -2.7 0
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151117 53790815 1 ClN4C11H13 AB4C11D13 68.11 4.36 -9.34 -0.9 0
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151118 53790816 1 SCl2N4O8H28C29 AB2C4D8E28F29 -271.08 11.18 -8.91 -0.79 0
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151119 53790817 1 O2C7H10 A2B7C10 -44.86 1.85 -10.75 0.4 0
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151120 53790818 1 N2Cl6H12C21 A2B6C12D21 77.42 4.47 -9.65 -0.91 1
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151121 53790819 1 SO3N5C18H24 AB3C5D18E24 -12.94 7.21 0.0 0.0 0
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151122 53790820 1 O2C17H22 A2B17C22 -65.85 1.72 -8.85 0.0 0
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151123 53790821 2 N2O6C32H37 A2B6C32D37 -433.1 5.16 -9.46 -0.66 0
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151124 53790822 1 N6O7H56C63 A6B7C56D63 32.43 6.83 -8.33 -1.86 0
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151125 53790823 1 C10H10O13 A10B10C13 -529.19 5.68 -11.53 -1.82 0
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151126 53790824 1 NOC11H13 ABC11D13 -6.56 2.62 -7.94 0.15 0
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151127 53790825 1 N2O2C17H22 A2B2C17D22 -40.41 1.22 -8.22 -0.27 0
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151128 53790826 1 NO2C26H35 AB2C26D35 -79.1 5.06 -8.51 0.36 0
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151129 53790827 1 SN2O4H30C32 AB2C4D30E32 -49.62 5.18 -8.97 -0.42 0
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151130 53790828 2 O2C3H5 A2B3C5 -193.82 6.77 -10.96 -0.01 0
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151131 53790829 1 O2C13H14 A2B13C14 -78.72 4.51 -9.47 -0.92 0
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151132 53790830 1 BNO2C6H13 ABC2D6E13 -95.95 4.89 0.0 0.0 0
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151133 53790831 1 FO3H15C22 AB3C15D22 -64.43 0.87 -8.72 -1.03 0
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151134 53790832 1 NO7C17H29 AB7C17D29 -345.08 3.01 -9.24 -0.06 0
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151135 53790833 1 ClN2O2H11C12 AB2C2D11E12 -19.7 3.54 -9.26 -0.8 0