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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37153 8017588 1 NCl2O4H11C15 AB2C4D11E15 -121.69 2.95 -9.2 -1.32 0
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37154 8017595 1 ClN3O4C12H14 AB3C4D12E14 -153.73 4.79 -10.34 -1.32 0
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37155 8017597 1 ClSN3O4H12C15 ABC3D4E12F15 -95.31 7.21 -9.35 -1.2 0
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37156 8017604 1 ClN2O4H15C16 AB2C4D15E16 -119.07 3.9 -8.96 -1.64 0
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37157 8017605 1 NS2O3C15H15 AB2C3D15E15 -50.39 2.63 -8.86 -1.14 0
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37158 8017606 1 ClN2O4H15C16 AB2C4D15E16 -119.5 3.4 -8.83 -1.61 0
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37159 8017613 1 ClN3O4C19H20 AB3C4D19E20 -118.32 2.16 -8.09 -1.62 0
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37160 8017616 1 ClN3O3C20H22 AB3C3D20E22 -86.17 1.36 -8.22 -1.6 0
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37161 8017636 1 ClN2O3C19H21 AB2C3D19E21 -101.75 3.72 -9.0 -1.62 0
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37162 8017644 1 NO5C13H15 AB5C13D15 -170.54 4.15 -8.97 -0.51 0
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37163 8017701 1 ClN2O3H15C18 AB2C3D15E18 -65.14 7.44 -9.02 -1.09 0
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37164 8017748 1 ClN2O3C18H19 AB2C3D18E19 -88.8 4.28 -9.18 -1.38 0
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37165 8017752 1 Cl2N2O3H12C15 A2B2C3D12E15 -85.56 2.57 -8.95 -1.45 -1
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37166 8017794 1 SN3O4H18C20 AB3C4D18E20 9.32 7.07 0.0 0.0 1
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37167 8017811 1 SN2O3C17H29 AB2C3D17E29 -123.25 6.99 0.0 0.0 0
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37168 8017839 1 ClN3O4C18H18 AB3C4D18E18 -130.55 4.85 -8.89 -1.8 0
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37169 8017864 1 ClN3O5H10C14 AB3C5D10E14 -69.61 4.43 -9.97 -1.79 0
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37170 8017866 1 ClNO4H12C15 ABC4D12E15 -116.4 2.42 -10.22 -1.4 0
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37171 8017867 1 N2O4H22C23 A2B4C22D23 -81.86 5.34 -8.56 -0.76 0
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37172 8017876 1 N2O5C17H18 A2B5C17D18 -144.49 1.18 -9.97 -1.56 0
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37173 8017879 1 Cl2N2O3H14C16 A2B2C3D14E16 -87.17 5.26 -9.73 -1.32 0
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37174 8017882 1 N2O5H20C21 A2B5C20D21 -114.86 7.45 -9.45 -0.67 0
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37175 8017898 1 ClO3N5C17H20 AB3C5D17E20 -85.3 9.32 -8.89 -0.5 0
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37176 8017899 1 ClO3N5C17H18 AB3C5D17E18 -75.02 4.16 -9.15 -1.03 0
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37177 8017910 1 N3O4C12H13 A3B4C12D13 -38.39 4.6 -10.05 -1.33 0
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37178 8017924 1 ClO3N5C19H22 AB3C5D19E22 -87.74 4.36 -9.13 -0.79 0
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37179 8017926 1 Cl2O3N5C17H17 A2B3C5D17E17 -84.94 3.12 -9.36 -1.05 0
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37180 8018001 1 ClN5O5C12H14 AB5C5D12E14 -184.44 5.25 -9.24 -0.96 0
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37181 8018003 1 ClN4O4H17C19 AB4C4D17E19 -100.99 6.68 -9.38 -1.37 0
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37182 8018008 1 ClO4N6C14H19 AB4C6D14E19 -152.52 7.03 -9.13 -0.81 0
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37183 8018013 1 ClO3N5C16H16 AB3C5D16E16 -60.22 6.23 -9.1 -0.77 0
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37184 8018034 1 ClO3N5C19H22 AB3C5D19E22 -89.7 1.72 -8.78 -1.12 0
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37185 8018051 1 ClO3N5C19H22 AB3C5D19E22 -86.73 2.27 -9.34 -1.03 0
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37186 8018054 1 ClFNO3C11H11 ABCD3E11F11 -165.77 4.74 -9.87 -0.8 0
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37187 8018069 1 Cl2O3N5H15C16 A2B3C5D15E16 -81.34 2.3 -9.16 -1.09 0
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37188 8018110 1 ClSO2N4C16H19 ABC2D4E16F19 -32.1 4.65 -9.05 -0.83 0
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37189 8018129 1 ClO3N5C18H20 AB3C5D18E20 -57.94 8.73 -8.91 -0.5 1
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37190 8018137 1 ClSN4O5C16H18 ABC4D5E16F18 -72.74 12.03 0.0 0.0 0
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37191 8018158 1 Cl2O3N5C17H17 A2B3C5D17E17 -84.62 3.2 -9.43 -1.1 0
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37192 8018159 1 Cl2O3N5C17H17 A2B3C5D17E17 -84.83 2.1 -9.32 -0.99 0
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37193 8018190 1 N2O3C20H20 A2B3C20D20 -64.88 3.3 -9.44 -1.6 0
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37194 8018194 1 N2O3C20H20 A2B3C20D20 -68.9 2.15 -9.01 -1.61 0
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37195 8018201 1 N3O4H17C19 A3B4C17D19 -99.11 4.74 -8.51 -1.72 1
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37196 8018203 1 FON2C21H28 ABC2D21E28 -47.24 6.19 0.0 0.0 0
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37197 8018207 1 N2O4H18C23 A2B4C18D23 -52.97 5.2 -8.84 -1.5 0
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37198 8018212 2 NO2H9C12 AB2C9D12 -54.57 4.38 -9.32 -1.74 0
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37199 8018214 1 NO2C21H25 AB2C21D25 -61.09 2.44 -9.14 -0.47 0
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37200 8018217 1 NO2C21H25 AB2C21D25 -60.2 5.1 -9.17 -0.41 0
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37201 8018223 1 N3O6H17C20 A3B6C17D20 -93.46 2.92 -8.48 -1.57 0
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37202 8018226 1 NO3H19C20 AB3C19D20 -53.92 6.75 -9.89 -1.32 0