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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327125 126689047 1 Cl2F3N6C15H17 A2B3C6D15E17 -108.45 7.55 -8.76 -0.53 0
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327126 126689051 1 OF3N5H32C33 AB3C5D32E33 -52.57 5.44 -9.02 -1.48 0
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327127 126689056 1 ClN2O2H9C17 AB2C2D9E17 70.68 6.44 -9.29 -2.08 0
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327128 126689057 1 SN3O4C28H33 AB3C4D28E33 -132.36 5.82 -8.95 -0.74 0
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327129 126689058 1 N2C27H30 A2B27C30 68.83 1.31 -8.33 -0.15 0
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327130 126689061 1 N2C23H38 A2B23C38 -35.04 4.6 -8.11 0.66 0
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327131 126689064 1 N3O3C11H13 A3B3C11D13 -94.17 5.76 -9.99 -0.76 0
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327132 126689065 1 N2O2H10C17 A2B2C10D17 83.81 5.51 -9.14 -1.49 0
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327133 126689066 1 N2C27H30 A2B27C30 69.1 1.49 -8.36 -0.16 0
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327134 126689067 1 N2O2H10C17 A2B2C10D17 80.5 3.83 -9.27 -1.89 0
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327135 126689070 1 N2O4C11H20 A2B4C11D20 -206.99 3.69 -9.65 0.34 0
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327136 126689072 1 O2N7C19H23 A2B7C19D23 2.53 5.26 -8.69 -0.56 0
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327137 126689073 1 ClO2N3H16C22 AB2C3D16E22 100.52 2.73 -8.91 -1.51 0
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327138 126689076 1 ClO2N3H16C22 AB2C3D16E22 99.15 2.88 -8.92 -1.71 0
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327139 126689077 1 FNO4C28H30 ABC4D28E30 -171.87 3.55 -8.4 -0.17 0
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327140 126689083 1 FNO4C34H34 ABC4D34E34 -130.62 1.32 -8.24 -0.31 0
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327141 126689084 1 NO6C14H25 AB6C14D25 -284.7 5.45 -9.6 0.59 0
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327142 126689088 1 FNO4C35H36 ABC4D35E36 -130.48 4.14 -8.19 -0.13 0
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327143 126689091 1 FNO4H26C27 ABC4D26E27 -154.17 4.31 -8.6 -0.33 0
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327144 126689095 1 BrN2O3C14H15 AB2C3D14E15 -66.82 5.59 -8.87 -0.38 0
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327145 126689100 1 NO3C7H13 AB3C7D13 -135.46 3.6 -9.33 1.39 0
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327146 126689101 1 NO4C19H21 AB4C19D21 -132.72 7.81 -9.47 -0.56 0
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327147 126689104 1 FNO5C29H30 ABC5D29E30 -205.8 1.79 -8.35 -0.19 0
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327149 126689107 1 NO3C19H21 AB3C19D21 -89.79 2.95 -8.09 0.1 0
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327150 126689108 1 ON2Cl4H6C12 AB2C4D6E12 62.42 5.71 -9.48 -1.53 0
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327151 126689109 1 FN2O2H33C34 AB2C2D33E34 -20.41 5.11 -8.55 -0.21 0
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327152 126689111 1 OF2N4S8C83H104 AB2C4D8E83F104 -39.82 2.04 -8.0 -2.04 0
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327153 126689113 1 NO5C25H47 AB5C25D47 -319.11 5.11 -9.97 0.64 0
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327154 126689114 1 NO7C26H41 AB7C26D41 -269.01 7.55 -10.34 -1.47 0
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327155 126689117 2 NOS2C16H19 ABC2D16E19 -11.18 0.88 -7.95 -1.82 0
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327156 126689118 2 NOSC30H45 ABCD30E45 -146.97 1.0 -7.88 -1.77 0
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327157 126689119 1 SF4O4N7C40H43 AB4C4D7E40F43 -219.34 6.32 -8.64 -1.29 0
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327158 126689122 2 BrINOSC14H17 ABCDEF14G17 2.27 2.34 -8.5 -2.12 0
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327159 126689125 1 N2F4C19H20 A2B4C19D20 -147.02 3.15 -9.43 -0.39 0
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327160 126689126 2 NOSC22H29 ABCD22E29 -70.11 2.85 -7.96 -1.79 0
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327161 126689127 2 NOSC22H29 ABCD22E29 -59.84 3.3 -7.97 -1.75 0
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327162 126689128 1 Cl2N2O4H16C17 A2B2C4D16E17 -77.89 6.22 -9.89 -1.68 0
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327163 126689130 1 N3H11C12 A3B11C12 144.13 0.94 -8.26 -0.93 0
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327164 126689131 1 IN2O2C17H25 AB2C2D17E25 -78.55 1.56 -8.82 -1.47 0
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327165 126689134 1 F2O2N5C26H29 A2B2C5D26E29 -109.97 4.24 -8.64 -1.05 0
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327166 126689135 1 O2N5C25H29 A2B5C25D29 -0.78 2.39 -8.52 -0.9 0
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327167 126689138 1 HSO4C6F11 ABC4D6E11 -696.57 1.9 -12.65 -1.97 0
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327168 126689139 1 OF2N4H16C19 AB2C4D16E19 -56.99 3.12 -8.83 -1.29 0
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327169 126689141 1 BrN2O2C13H13 AB2C2D13E13 -47.44 5.79 -9.2 -1.28 0
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327170 126689143 1 F2O2N5C24H27 A2B2C5D24E27 -106.85 4.11 -8.67 -1.07 0
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327171 126689144 1 O2N5C26H31 A2B5C26D31 -19.52 3.29 -8.57 -0.89 0
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327172 126689147 1 FO2N5C26H30 AB2C5D26E30 -72.87 2.64 -8.76 -1.19 0
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327173 126689148 1 FON4H17C19 ABC4D17E19 -11.05 3.1 -8.7 -1.11 0
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327174 126689151 1 BrFN2O2C15H16 ABC2D2E15F16 -104.5 7.33 -9.08 -1.14 0
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327175 126689154 1 FSO4C6H11 ABC4D6E11 -236.4 3.92 -11.43 -0.89 0
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327176 126689155 1 PC10F15 AB10C15 -734.32 1.24 -10.89 -1.9 0
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327177 126689157 1 FO2N5C27H32 AB2C5D27E32 -73.01 3.9 -8.65 -1.06 0
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327178 126689158 1 BrNF2O4H18C20 ABC2D4E18F20 -194.0 8.61 -9.12 -0.59 0
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327179 126689159 1 BrNF2O4H18C20 ABC2D4E18F20 -202.95 8.93 -9.35 -0.5 0
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327180 126689163 1 SF2O3H4C6 AB2C3D4E6 -184.23 2.45 -9.48 -0.8 0
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327181 126689164 1 BrFON3H13C14 ABCD3E13F14 -40.24 2.38 -8.85 -1.34 0
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327182 126689166 1 FO2N5C27H32 AB2C5D27E32 -72.78 4.68 -8.48 -0.81 0
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327183 126689167 1 FO3N5C27H32 AB3C5D27E32 -68.89 4.01 -8.71 -1.12 0
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327184 126689168 1 BrFN2O2H12C13 ABC2D2E12F13 -95.05 5.2 -9.37 -1.3 0
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327185 126689171 1 FO2N5C25H28 AB2C5D25E28 -46.51 2.12 -8.72 -1.14 -1
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327186 126689173 1 FSO2C6H10 ABC2D6E10 -125.88 3.81 0.0 0.0 0
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327187 126689177 1 FO2N5C25H28 AB2C5D25E28 -46.05 5.46 -8.55 -0.85 0
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327188 126689178 1 FO2N5C24H28 AB2C5D24E28 -60.03 3.71 -8.58 -0.9 0
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327189 126689181 1 O3N6H24C32 A3B6C24D32 112.12 7.13 -8.63 -1.16 0
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327190 126689182 1 FO2N5C26H30 AB2C5D26E30 -64.9 3.36 -8.56 -0.9 0
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327191 126689183 1 F4O6N7C45H45 A4B6C7D45E45 -292.92 1.38 -8.63 -0.96 0
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327192 126689184 1 F2O3N4C19H20 A2B3C4D19E20 -152.21 9.95 -9.25 -0.89 0
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327193 126689185 1 HSC4O4F9 ABC4D4E9 -621.48 1.84 -12.94 -2.19 0
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327194 126689186 1 FSC4O4H11 ABC4D4E11 -257.94 4.49 -11.49 -0.56 0
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327195 126689187 1 FO2N5C23H26 AB2C5D23E26 -60.58 3.04 -8.83 -1.19 0
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327196 126689190 1 FPO3C8H10 ABC3D8E10 -209.56 2.81 -9.42 -0.22 0
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327197 126689191 1 BrN2O2C15H17 AB2C2D15E17 -58.95 6.53 -8.89 -1.01 0
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327198 126689196 1 O2N5C27H33 A2B5C27D33 -26.64 2.93 -8.58 -0.9 0
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327199 126689197 1 NH9C11 AB9C11 71.38 2.84 -9.17 -0.69 0
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327200 126689201 1 PF4H11C14 AB4C11D14 -175.28 2.2 -8.93 -0.28 0