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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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443827 135260112 1 O2C19H26 A2B19C26 -82.64 5.78 -9.38 -0.68 0
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443828 135260114 2 OH10C11 AB10C11 -2.68 4.17 -8.75 -0.97 0
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443829 135260123 1 O3C19H20 A3B19C20 -59.84 1.67 -8.6 0.08 0
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443830 135260124 1 O3C20H24 A3B20C24 -70.23 1.3 -8.06 0.21 1
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443831 135260128 1 PO2N3C13H25 AB2C3D13E25 -117.87 6.5 0.0 0.0 0
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443832 135260131 1 ClO3F6N8H39C42 AB3C6D8E39F42 -217.87 4.0 -8.65 -1.09 0
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443833 135260132 1 ClSF4O4N7H32C36 ABC4D4E7F32G36 -171.15 7.56 -8.58 -1.03 0
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443834 135260134 1 O3F7N8H35C40 A3B7C8D35E40 -253.78 6.7 -8.48 -1.06 0
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443835 135260135 1 BrO2N4F7H22C28 AB2C4D7E22F28 -289.27 8.66 -9.87 -1.21 0
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443836 135260140 1 O3N6F8H24C33 A3B6C8D24E33 -405.94 8.15 -9.46 -1.38 0
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443837 135260142 1 SF2O5N7C36H43 AB2C5D7E36F43 -170.01 1.47 -8.75 -0.98 0
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443838 135260143 1 ClSO4F7N8H32C37 ABC4D7E8F32G37 -328.12 8.12 -8.45 -1.0 0
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443839 135260144 1 ClO2F7N7H29C36 AB2C7D7E29F36 -228.57 6.6 -8.3 -1.04 0
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443840 135260145 1 O3N5F8H27C35 A3B5C8D27E35 -348.37 7.1 -9.74 -1.05 0
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443841 135260147 1 SO4F6N8H32C36 AB4C6D8E32F36 -246.24 6.83 -8.61 -0.96 0
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443842 135260149 1 ClO3F6N7H32C38 AB3C6D7E32F38 -238.65 6.14 -8.58 -1.17 0
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443843 135260150 1 ClO3N6F7H26C37 AB3C6D7E26F37 -239.33 2.13 -9.08 -0.88 0
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443844 135260151 1 O2F6N8H30C37 A2B6C8D30E37 -134.46 8.57 -8.3 -1.15 0
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443845 135260153 1 ClF2O2N5C32H34 AB2C2D5E32F34 -76.85 6.47 -8.45 -1.1 0
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443846 135260154 1 ClF2O2N5C32H34 AB2C2D5E32F34 -95.2 5.81 -8.13 -0.85 0
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443847 135260157 1 N3O5C23H37 A3B5C23D37 -209.11 4.79 -8.79 -0.39 0
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443848 135260158 2 OC11H22 AB11C22 -166.56 2.54 -9.56 0.87 0
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443849 135260159 2 OC9H18 AB9C18 -152.94 2.64 -9.38 0.95 0
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443850 135260160 2 OC9H18 AB9C18 -153.66 2.78 -9.45 1.12 0
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443851 135260161 1 ClO2F6N8H31C38 AB2C6D8E31F38 -153.08 6.96 -8.48 -1.17 0
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443852 135260162 1 ClO2F6N8H27C34 AB2C6D8E27F34 -159.59 5.34 -9.22 -1.46 0
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443853 135260163 1 O3F5N6C31H31 A3B5C6D31E31 -250.4 8.76 -9.63 -1.37 0
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443854 135260164 1 O3F5N6C31H31 A3B5C6D31E31 -248.5 4.9 -9.51 -1.17 0
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443855 135260171 1 SN3F5O5H30C32 AB3C5D5E30F32 -351.67 8.59 -9.28 -1.13 0
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443856 135260172 1 O3N7C20H23 A3B7C20D23 30.9 10.01 -9.14 -0.64 0
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443857 135260173 1 BrCl2N4O5H17C22 AB2C4D5E17F22 -120.45 6.67 -9.46 -1.73 0
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443858 135260176 1 OC18H34 AB18C34 -104.81 3.55 -10.04 0.0 0
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443860 135260188 1 SF3N4O6H27C32 AB3C4D6E27F32 -228.97 2.85 -9.42 -1.13 0
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443861 135260197 1 ClS2O7N8C55H63 AB2C7D8E55F63 -60.94 11.65 -8.55 -1.19 0
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443862 135260207 1 NSO7C45H91 ABC7D45E91 -502.39 5.55 -9.57 -0.39 0
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443863 135260224 1 N3O4H17C18 A3B4C17D18 -118.97 4.94 -9.55 -1.04 0
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443864 135260225 1 F2O3N6H20C24 A2B3C6D20E24 -119.48 6.63 -9.11 -1.08 0
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443865 135260226 1 F2O3N5H21C25 A2B3C5D21E25 -129.48 5.77 -8.82 -1.06 0
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443866 135260229 1 ClNSO2C3H8 ABCD2E3F8 -113.98 4.24 -10.99 0.14 0
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443867 135260231 1 ON2C12H18 AB2C12D18 -36.05 3.37 -9.41 -0.19 0
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443868 135260232 2 FNO2H9C12 ABC2D9E12 -183.12 6.14 -8.73 -1.16 0
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443869 135260234 1 ClFO3N6H20C24 ABC3D6E20F24 -83.86 5.78 -9.16 -1.18 0
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443870 135260235 1 FO3N4H25C27 AB3C4D25E27 -98.4 2.71 -8.98 -0.96 0
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443871 135260237 1 FO4N5H22C26 AB4C5D22E26 -124.59 5.37 -9.55 -1.0 0
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443872 135260238 1 F3O3N6H19C24 A3B3C6D19E24 -165.36 7.84 -9.15 -1.2 0
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443873 135260245 1 FON7H22C27 ABC7D22E27 126.73 8.75 -8.64 -2.08 0
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443874 135260248 1 FSO3N8H25C30 ABC3D8E25F30 55.86 9.6 -8.2 -1.72 0
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443875 135260249 1 FSO3N8H25C30 ABC3D8E25F30 57.4 11.65 -8.2 -1.7 0
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443876 135260250 1 SO2N6H26C30 AB2C6D26E30 123.92 7.52 -8.66 -2.16 0
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443877 135260255 1 FO2N8C37H37 AB2C8D37E37 62.49 6.51 -8.66 -2.12 0