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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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414116 135087070 2 OC7H8 AB7C8 -56.49 2.28 -9.9 -0.68 0
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414117 135087071 1 BO2C20H29 AB2C20D29 -163.74 2.64 -8.87 0.45 0
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414118 135087072 1 NOC18H27 ABC18D27 -54.94 3.63 -9.44 0.07 0
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414119 135087073 1 OC21H36 AB21C36 -66.35 3.47 -9.88 0.0 0
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414120 135087074 1 PF3O4H18C23 AB3C4D18E23 -281.06 4.55 -9.89 -0.99 0
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414121 135087075 1 PO4C17H17 AB4C17D17 -154.52 3.77 -9.79 -0.44 0
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414122 135087077 1 ClON2C15H15 ABC2D15E15 10.34 2.22 -9.42 -0.6 0
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414123 135087078 1 NSO2H15C17 ABC2D15E17 -11.51 2.79 -8.86 -0.64 1
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414124 135087079 1 NOH14C16 ABC14D16 28.12 4.38 0.0 0.0 0
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414125 135087080 1 PO4C19H21 AB4C19D21 -158.38 3.8 -9.7 -0.39 0
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414126 135087081 1 PO3C18H23 AB3C18D23 -166.04 0.93 -8.8 0.25 0
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414127 135087082 1 PO3C18H23 AB3C18D23 -169.99 2.84 -8.97 0.26 0
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414128 135087083 1 BrO4C13H13 AB4C13D13 -124.47 4.17 -9.02 -0.87 0
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414129 135087084 1 NO2C17H17 AB2C17D17 -26.08 3.39 -9.47 -0.2 0
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414130 135087085 1 NOC17H19 ABC17D19 14.12 2.3 -8.52 -0.15 0
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414131 135087086 1 O8C17H20 A8B17C20 -305.46 4.48 -9.2 -0.56 0
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414132 135087087 1 O7C17H20 A7B17C20 -271.57 1.97 -9.46 -0.84 0
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414133 135087088 1 O2C19H20 A2B19C20 42.44 6.04 -9.44 -0.54 0
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414134 135087089 2 OC9H10 AB9C10 16.79 4.34 -9.54 -0.66 0
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414135 135087090 2 OC8H11 AB8C11 -14.6 0.06 -10.3 -0.01 0
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414136 135087091 2 O2C14H15 A2B14C15 -36.97 3.62 -9.31 -0.31 1
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414137 135087092 1 N2F3H8C9 A2B3C8D9 -122.38 5.07 0.0 0.0 0
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414138 135087093 1 N2F3H7C9 A2B3C7D9 -117.09 7.04 -9.02 -0.66 0
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414139 135087094 1 NOH11C12 ABC11D12 24.72 6.59 -8.62 -0.62 0
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414140 135087095 1 SSiN3O4C31H39 ABC3D4E31F39 -135.9 7.97 -7.97 -0.57 0
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414141 135087096 1 IN2O2C14H15 AB2C2D14E15 -8.1 4.13 -8.95 -1.46 0
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414142 135087097 1 N2O2H12C13 A2B2C12D13 35.15 7.41 -8.01 -1.09 0
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414143 135087098 1 NO2H15C18 AB2C15D18 -20.13 1.58 -8.94 -0.68 0
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414144 135087099 1 FSO2N3H14C16 ABC2D3E14F16 -18.24 9.21 -8.76 -1.09 0
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414145 135087100 1 ClFSN2O2H14C18 ABCD2E2F14G18 -57.65 8.95 -9.49 -0.84 0
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414146 135087101 1 ClSN2O2H19C20 ABC2D2E19F20 -27.95 10.23 -9.2 -0.68 0
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414147 135087102 1 NO3C22H27 AB3C22D27 -85.63 1.45 -8.73 -1.01 0
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414148 135087103 1 ON2C20H22 AB2C20D22 5.17 2.83 -8.57 -0.37 0
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414149 135087104 1 NSO2H15C16 ABC2D15E16 14.16 5.85 -8.42 -0.19 0
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414150 135087105 1 NSO3H15C16 ABC3D15E16 -16.11 4.86 -8.38 -0.17 1
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414151 135087106 1 N4H9C11 A4B9C11 130.15 2.22 0.0 0.0 0
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414152 135087107 1 ClN2O3H25C29 AB2C3D25E29 -32.98 2.79 -8.84 -0.4 0
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414153 135087108 1 O2N3C24H29 A2B3C24D29 -56.51 3.94 -8.09 0.06 0
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414154 135087109 1 N2O5C14H14 A2B5C14D14 -55.36 4.1 -8.92 -1.22 0
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414155 135087110 1 BrNO2H6C10 ABC2D6E10 -10.15 6.07 -9.36 -1.06 0
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414156 135087111 1 N2O3C15H18 A2B3C15D18 -30.57 2.32 -8.07 -0.1 0
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414157 135087112 2 NO2C9H13 AB2C9D13 -155.96 6.28 -8.46 0.05 0
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414158 135087113 2 NO2C9H13 AB2C9D13 -151.72 4.75 -8.34 0.18 1
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414159 135087114 1 N4C13H13 A4B13C13 123.06 4.89 0.0 0.0 0
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414160 135087115 1 N2O4F5H21C24 A2B4C5D21E24 -308.5 5.79 -8.75 -1.81 0
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414161 135087116 1 NPO4C7H16 ABC4D7E16 -202.12 2.35 -9.45 0.83 0
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414162 135087117 1 N2O2C21H22 A2B2C21D22 -39.45 1.99 -8.62 -0.7 0
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414163 135087119 1 ClSN2O5H9C13 ABC2D5E9F13 -2.06 4.47 -9.98 -2.15 0
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414164 135087120 1 NOC15H17 ABC15D17 23.5 1.19 -9.23 -0.23 0
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414165 135087121 2 OC6H8 AB6C8 -64.76 3.29 -9.4 0.21 0