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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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26108 638976 1 SN2O2C8H16 AB2C2D8E16 -104.11 4.99 -8.99 0.11 0
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26109 638977 1 OC14H20 AB14C20 -24.39 2.99 -8.72 0.34 0
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26110 638978 2 N2C4H7 A2B4C7 40.15 5.04 -9.49 0.47 0
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26111 638982 2 NOC6H10 ABC6D10 -77.09 2.43 -8.74 0.05 0
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26112 638986 2 OC7H11 AB7C11 -107.95 3.35 -9.46 0.69 0
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26113 638991 3 OC10H14 AB10C14 -153.21 4.62 -9.05 -0.14 0
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26114 638992 2 NO3C6H11 AB3C6D11 -230.71 2.38 -8.89 0.15 0
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26115 638994 1 ON2C15H16 AB2C15D16 -24.18 5.56 -8.44 -0.04 0
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26116 638995 1 O2S2N7C14H17 A2B2C7D14E17 58.02 8.59 -8.53 -0.98 0
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26117 639002 1 NO2C18H21 AB2C18D21 -36.98 4.71 -8.53 -0.71 0
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26118 639011 1 NO3C18H21 AB3C18D21 -86.0 3.4 -8.41 0.08 0
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26119 639028 1 O3C17H22 A3B17C22 -133.6 2.23 -8.95 -0.5 0
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26120 639029 1 O5C21H26 A5B21C26 -219.31 3.27 -9.29 -0.63 0
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26121 639030 2 O2C10H13 A2B10C13 -172.57 5.5 -9.04 -0.38 1
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26122 639034 1 N4C6H11 A4B6C11 88.27 4.6 0.0 0.0 0
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26123 639068 1 ClFNO3H13C14 ABCD3E13F14 -148.66 7.43 -9.18 -1.1 0
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26124 639072 1 N2O2C19H22 A2B2C19D22 -36.26 3.66 -8.64 -0.6 0
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26125 639083 1 Cl2N2O5H8C10 A2B2C5D8E10 -99.4 1.51 -9.48 -1.39 0
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26126 639086 1 ClN2O5H9C10 AB2C5D9E10 -93.38 2.37 -9.43 -1.38 0
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26127 639088 1 ClNO3H16C20 ABC3D16E20 -39.56 11.05 -8.91 -0.86 0
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26128 639091 1 ClO3H9C12 AB3C9D12 -97.76 3.88 -9.76 -1.2 0
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26129 639092 1 ClO4H9C15 AB4C9D15 -96.07 4.68 -8.9 -1.09 0
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26130 639105 1 N3H13C14 A3B13C14 88.48 2.68 -7.94 -0.35 0
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26131 639106 1 N3O3H11C12 A3B3C11D12 -57.66 4.23 -8.88 -0.89 0
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26132 639107 1 N3O3C21H31 A3B3C21D31 -86.51 6.49 -8.96 -0.3 0
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26133 639148 1 N2O3H8C9 A2B3C8D9 -75.87 5.21 -10.08 -1.07 0
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26134 639161 1 OC10H14 AB10C14 -48.53 3.35 -9.78 0.87 0
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26135 639183 2 FOC5H6 ABC5D6 -159.18 0.84 -8.46 -0.17 0
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26136 639184 2 FOH3C4 ABC3D4 -131.58 0.02 -10.81 -2.28 0
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26137 639195 2 OC5H7 AB5C7 -70.13 1.53 -9.72 0.75 0
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26138 639196 1 O3C10H18 A3B10C18 -150.26 1.72 -10.59 -0.18 0
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26139 639205 1 OSiC14H18 ABC14D18 -5.19 2.02 -9.34 -0.12 0
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26140 639206 2 OC5H7 AB5C7 -68.71 1.98 -9.72 0.69 0
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26141 639207 1 OSC12H14 ABC12D14 -21.51 1.95 -8.19 0.32 0
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26142 639208 1 OSC17H24 ABC17D24 -43.76 1.82 -8.13 0.32 0
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26143 639212 1 INO2F3C16H17 ABC2D3E16F17 -196.32 6.22 -9.17 -0.88 0
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26144 639213 2 BrO2C9H10 AB2C9D10 -112.32 0.33 -8.35 -0.3 0
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26145 639214 1 NO4C6H7 AB4C6D7 -89.31 0.86 -10.08 -1.1 0
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26146 639215 1 C13H18 A13B18 19.06 0.79 -9.47 1.23 0
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26147 639216 1 NO4C6H7 AB4C6D7 -101.62 4.32 -9.93 -1.4 0
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26148 639217 1 NO4C8H9 AB4C8D9 -72.86 0.9 -10.07 -1.11 0
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26149 639219 1 O2H10C13 A2B10C13 7.83 1.89 -8.92 -0.04 0
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26150 639222 1 NPSF3O5C8H11 ABCD3E5F8G11 -383.25 2.51 -8.98 -1.38 0
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26151 639223 1 NPO3C7H10 ABC3D7E10 -144.5 2.76 -10.22 -0.56 1
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26152 639224 1 NP2O3C23H44 AB2C3D23E44 -249.71 12.43 0.0 0.0 0
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26153 639225 5 OC3H4 AB3C4 -212.41 4.51 -9.83 -0.34 0
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26154 639226 1 SO4C16H22 AB4C16D22 -171.74 5.51 -9.71 -0.55 0
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26155 639228 2 NO2C4H9 AB2C4D9 -194.16 5.62 -9.59 1.58 0
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26156 639229 1 N2O3C8H16 A2B3C8D16 -138.94 4.01 -9.36 1.68 0
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26157 639230 2 O2C7H10 A2B7C10 -156.94 2.59 -10.09 -0.37 0
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26158 639231 1 NO4H15C20 AB4C15D20 -64.41 1.13 -8.33 -0.79 0
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26159 639237 1 N3O3C12H19 A3B3C12D19 -45.31 6.74 -8.71 -0.11 0
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26160 639240 1 NS2H15C16 AB2C15D16 67.37 1.36 -8.68 -0.86 0
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26161 639296 1 N4H6C9 A4B6C9 104.93 0.38 -9.63 -1.45 0
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26162 639322 1 O3C20H34 A3B20C34 -146.84 1.28 -9.14 1.07 0
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26163 639419 1 N3H9C11 A3B9C11 78.53 4.96 -8.55 -0.48 0
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26164 639506 1 NH11C13 AB11C13 70.11 1.49 -8.96 -0.63 0
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26165 639744 1 N3O6C18H19 A3B6C18D19 -139.9 12.15 -9.24 -1.41 0
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26166 639747 4 HOC2 ABC2 -122.02 6.07 -10.33 -1.83 0
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26167 639787 1 NO6C15H19 AB6C15D19 -255.73 4.23 -8.9 -0.72 0
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26168 639788 1 SO7C19H24 AB7C19D24 -293.02 4.1 -8.94 0.19 0
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26169 639827 1 N7O17C52H69 A7B17C52D69 -727.8 14.69 -8.98 -0.54 1
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26170 639862 1 SN2O2C19H19 AB2C2D19E19 -11.79 4.24 0.0 0.0 0
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26171 640003 2 C7H8 A7B8 24.87 0.56 -8.7 0.46 0
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26172 640043 1 N3O6H13C18 A3B6C13D18 -41.03 12.82 -9.39 -2.0 0
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26173 640044 1 NSO2H11C13 ABC2D11E13 -26.93 4.52 -8.75 -0.9 0
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26174 640059 1 N6O7C21H38 A6B7C21D38 -362.88 4.16 -10.02 0.24 0
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26175 640096 2 O2H6C7 A2B6C7 -128.02 4.07 -8.88 -0.52 0
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26176 640097 1 SO6H16C22 AB6C16D22 -157.31 9.69 -8.67 -1.07 0
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26177 640098 1 O3C16H16 A3B16C16 -81.79 6.68 -8.7 -0.8 0
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26178 640123 2 O2H10C11 A2B10C11 -98.54 5.01 -9.26 -0.2 0
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26179 640149 1 BrO3H15C16 AB3C15D16 -55.11 5.34 -8.95 -0.54 0
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26180 640151 2 O2C5H7 A2B5C7 -141.81 2.15 -8.67 -0.08 0
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26181 640208 1 NO4C12H21 AB4C12D21 -201.5 3.68 -9.21 0.46 0
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26182 640212 1 SO4C17H20 AB4C17D20 -134.72 6.57 -8.6 -0.64 0
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26183 640217 1 ClN4H13C19 AB4C13D19 119.41 9.79 -8.04 -0.72 0
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26184 640592 1 BrH9C11 AB9C11 31.53 2.86 -8.94 -0.67 0
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26185 640593 1 BrH9C11 AB9C11 32.3 2.21 -8.93 -0.65 0
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26186 640595 1 BrOH13C17 ABC13D17 27.45 3.05 -8.75 -0.74 0
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26187 640635 1 SO3H12C18 AB3C12D18 -19.3 1.67 -8.48 -1.14 0
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26188 640647 2 OH5C7 AB5C7 -36.36 0.81 -8.55 -0.69 0
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26189 640648 2 OH7C8 AB7C8 -27.77 1.56 -8.29 -0.47 0
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26190 640687 1 OC11H12 AB11C12 -30.78 3.06 -9.42 0.17 0
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26191 640688 1 OC11H12 AB11C12 -29.98 3.64 -9.63 -0.42 0
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26192 640689 1 OC12H14 AB12C14 -34.26 3.54 -9.62 -0.41 0
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26193 640713 1 OSN2Cl3H5C9 ABC2D3E5F9 -1.26 4.35 -9.49 -1.3 0
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26194 640714 1 NSSiC12H13 ABCD12E13 54.84 2.06 -8.94 -0.83 0
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26195 640756 2 OC8H9 AB8C9 34.64 0.49 -8.21 -0.62 0
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26196 640804 1 BrClNO2H11C12 ABCD2E11F12 -37.39 6.15 -8.99 -0.85 0
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26197 640805 1 ClNO6C10H14 ABC6D10E14 -216.67 1.53 -9.8 -1.46 0
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26198 640823 1 Cl2O2H3N3C4 A2B2C3D3E4 24.56 4.64 -10.09 -1.62 0
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26199 640972 1 NOC11H11 ABC11D11 4.54 2.78 -8.73 -0.57 0
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26200 640987 1 N2O3H16C19 A2B3C16D19 -15.89 12.37 -7.94 -1.58 0
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26201 641041 1 OCl2C4H8 AB2C4D8 -81.67 1.65 -10.77 0.34 0
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26202 641064 1 FN2O5H23C24 AB2C5D23E24 -183.36 7.54 -9.61 -1.0 0
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26203 641065 1 FN2O4C11H15 AB2C4D11E15 -195.86 6.05 -9.83 -0.33 0
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26204 641066 1 FN2O4C12H17 AB2C4D12E17 -204.44 6.03 -9.3 -0.07 0
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26205 641068 1 ClSN2O3H15C18 ABC2D3E15F18 -42.49 2.87 -8.96 -1.1 0
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26206 641070 1 ClSN2O3H15C18 ABC2D3E15F18 -49.98 4.07 -8.93 -1.12 0
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26207 641093 1 N2O2H8C9 A2B2C8D9 -20.96 4.66 -8.91 -0.86 0