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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161091 57390736 1 BrN4H9C15 AB4C9D15 111.77 6.11 -9.1 -1.34 0
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161092 57390737 1 Br2N3H9C16 A2B3C9D16 101.4 6.36 -9.08 -1.25 0
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161093 57390740 1 SN2O3H24C25 AB2C3D24E25 -31.26 3.07 -8.26 -0.5 0
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161094 57390742 1 NSO3C25H31 ABC3D25E31 -118.84 5.84 -8.65 -0.43 0
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161095 57390750 1 FN2O2C20H27 AB2C2D20E27 -122.2 2.81 -8.0 0.01 0
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161097 57390757 1 SCl2N3O6H25C27 AB2C3D6E25F27 -181.7 6.96 -9.21 -1.6 0
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161098 57390758 1 SCl2N2O7H24C27 AB2C2D7E24F27 -210.07 0.98 -9.35 -1.38 0
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161099 57390760 1 Cl2F3N6H25C27 A2B3C6D25E27 -81.16 10.27 -8.91 -0.81 0
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161100 57390762 1 SO3N4C24H30 AB3C4D24E30 -74.42 6.17 -9.52 -0.82 0
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161101 57390765 1 Cl2O2N8C25H34 A2B2C8D25E34 -46.51 3.64 -8.78 -1.26 0
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161102 57390771 1 ClF3N3O3H15C20 AB3C3D3E15F20 -203.28 6.89 -9.05 -1.04 0
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161103 57390778 1 OSN7H15C17 ABC7D15E17 74.44 4.71 -8.3 -1.0 0
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161104 57390782 1 NO6H19C20 AB6C19D20 -168.26 11.16 -8.66 -1.18 0
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161106 57390785 1 FN2O4H11C16 AB2C4D11E16 -149.19 4.81 -9.55 -1.53 0
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161107 57390790 1 NSO4H21C24 ABC4D21E24 -70.47 8.7 -8.47 -1.11 0
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161108 57390791 1 SN2O5H18C23 AB2C5D18E23 -35.6 3.76 -8.95 -1.29 1
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161109 57390792 1 ClSN2C18H18 ABC2D18E18 62.9 3.98 0.0 0.0 0
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161110 57390801 2 ClN3H10C11 AB3C10D11 88.56 6.29 -8.94 -0.68 0
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161111 57390805 1 N5O5C19H19 A5B5C19D19 -105.2 2.68 -9.12 -1.07 0
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161112 57390810 1 ClSN3O3H22C23 ABC3D3E22F23 -70.38 6.63 -8.77 -1.72 0
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161114 57390814 1 OSN7H15C17 ABC7D15E17 92.06 7.96 -8.41 -1.03 0
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161115 57390817 1 NO4H11C15 AB4C11D15 -86.15 9.82 -9.44 -1.42 0
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161116 57390819 1 ClN4O6C33H35 AB4C6D33E35 -174.28 5.86 -9.26 -0.83 0
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161118 57390823 1 Cl3N4O6C33H35 A3B4C6D33E35 -182.78 8.04 -8.77 -0.6 0
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161119 57390827 1 NSO3H19C23 ABC3D19E23 -26.75 4.12 -8.83 -1.15 0
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161120 57390829 1 ClN4O6C37H43 AB4C6D37E43 -144.57 4.54 -8.61 -0.39 0
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161122 57390833 1 O4C17H24 A4B17C24 -169.28 3.83 -8.9 -0.24 0
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161125 57390837 1 N2O7C31H40 A2B7C31D40 -258.55 4.79 -7.88 -0.51 0
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161126 57390838 1 N2O7C31H40 A2B7C31D40 -261.5 3.57 -8.73 -0.77 0
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161127 57390839 1 N2O7C28H40 A2B7C28D40 -303.53 2.29 -9.07 -0.77 0
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161129 57390844 1 O3N5H19C21 A3B5C19D21 -49.63 9.12 -8.91 -0.91 0
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161130 57390845 2 INC17H19 ABC17D19 79.59 12.05 -7.48 -1.95 2
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161131 57390846 2 NC17H19 AB17C19 136.57 16.27 -4.99 -2.2 0
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161132 57390847 1 SN2F3O4C16H21 AB2C3D4E16F21 -285.73 4.32 -9.73 -1.38 0
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161133 57390849 2 ClN5O13C42H48 AB5C13D42E48 -617.02 22.6 -7.62 -2.66 0
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161134 57390850 1 O3C18H28 A3B18C28 -143.64 4.87 -9.05 -0.03 0
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161136 57390856 1 FSO2N5H18C23 ABC2D5E18F23 70.01 5.79 -8.25 -1.48 0
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161137 57390863 1 N2S2O3H12C20 A2B2C3D12E20 -13.38 5.5 -8.91 -1.92 0
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161138 57390865 1 NSO3H9C15 ABC3D9E15 -25.07 4.92 -9.39 -1.7 0
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161139 57390867 1 SO3N4C24H36 AB3C4D24E36 -125.32 7.13 -9.05 -0.43 0
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161140 57390871 2 NOH10C11 ABC10D11 -2.23 9.97 -8.84 -0.46 0
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161141 57390872 1 Cl3N3O4H26C27 A3B3C4D26E27 -111.79 6.17 -8.88 -0.51 0
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161143 57390874 1 N3O4C27H27 A3B4C27D27 -85.95 8.17 -9.1 -0.74 0
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161144 57390875 1 OF2N2C19H24 AB2C2D19E24 -131.32 2.41 -8.46 -0.26 0
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161145 57390877 1 NO3H13C18 AB3C13D18 -56.86 2.8 -9.06 -1.52 0
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161149 57390888 2 NOC18H22 ABC18D22 -4.9 4.51 -8.69 0.19 0
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161150 57390890 2 NO2C18H22 AB2C18D22 -64.72 1.47 -8.38 0.06 0
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161151 57390896 1 N3O3C28H31 A3B3C28D31 -41.43 6.09 -8.65 -0.6 0
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161152 57390897 1 OC21H34 AB21C34 -66.0 3.89 -8.98 1.04 0
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161153 57390900 1 N3O4H23C28 A3B4C23D28 12.66 4.26 -8.35 -1.56 0