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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175814 75951775 1 BrO3C21H31 AB3C21D31 -147.29 5.6 -9.56 -0.19 0
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175815 75951776 1 F3N4O4C24H31 A3B4C4D24E31 -315.76 8.74 -9.42 -0.61 0
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175816 75951777 1 ClF3N4O5C25H32 AB3C4D5E25F32 -372.18 7.97 -9.57 -0.94 0
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175817 75952194 1 SN4O6F7C37H37 AB4C6D7E37F37 -510.14 5.8 -9.54 -1.57 0
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175818 75952254 1 F3O7C23H25 A3B7C23D25 -442.07 4.46 -8.78 -0.64 0
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175819 75952255 1 ClO7C22H27 AB7C22D27 -299.85 3.21 -9.53 -0.38 0
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175820 75952464 1 O2N5C23H29 A2B5C23D29 -28.68 5.9 -9.2 -0.96 0
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175821 75952465 2 ON2C11H16 AB2C11D16 -48.84 1.8 -8.88 -0.26 0
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175822 75952539 1 ClO2N7H20C22 AB2C7D20E22 76.85 3.17 -8.76 -1.27 0
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175823 75953387 1 SeF2N4O6H22C25 AB2C4D6E22F25 -255.71 8.15 -8.57 -1.45 0
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175824 75953388 1 SeF2N4O6H20C24 AB2C4D6E20F24 -247.47 13.55 -8.71 -1.69 0
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175825 75953389 1 SF2N6O8C40H50 AB2C6D8E40F50 -355.78 7.47 -9.71 -1.41 0
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175826 75953928 1 N2O4F6H10C19 A2B4C6D10E19 -383.56 4.59 -9.72 -1.98 0
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175827 75955005 1 BrNF3O3H13C18 ABC3D3E13F18 -209.78 1.9 -9.64 -1.45 0
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175828 75955313 1 NPO8C40H70 ABC8D40E70 -443.07 12.1 -9.42 -0.26 0
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175829 75956250 1 NPO8C47H90 ABC8D47E90 -546.01 14.35 -9.37 -0.27 0
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175830 75956585 1 NPO8C42H80 ABC8D42E80 -520.79 14.21 -9.38 -0.32 1
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175831 75956801 1 NPO7C39H81 ABC7D39E81 -500.11 10.93 0.0 0.0 1
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175832 75956993 1 NPO7C46H87 ABC7D46E87 -408.48 15.35 0.0 0.0 0
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175833 75956994 1 NPO7C46H82 ABC7D46E82 -403.7 13.55 -8.66 -0.36 0
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175834 75957153 1 NPO8C37H66 ABC8D37E66 -477.71 5.7 -9.38 0.27 0
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175835 75957154 1 NPO8C37H64 ABC8D37E64 -454.46 5.77 -9.14 0.28 0
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175836 75957155 1 NPO8C38H74 ABC8D38E74 -551.57 3.75 -9.52 0.42 0
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175837 75957318 1 NPO8C42H72 ABC8D42E72 -453.27 1.68 -9.31 0.49 0
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175838 75957553 1 NPO8C45H80 ABC8D45E80 -496.48 4.09 -9.37 0.3 0