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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175789 75947747 1 SN2F3O4C21H25 AB2C3D4E21F25 -289.17 6.56 -10.02 -0.99 0
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175790 75947748 1 N2O2C13H24 A2B2C13D24 -128.94 3.84 -9.39 1.17 0
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175791 75948361 1 FO2N4C26H27 AB2C4D26E27 -70.61 3.1 -8.48 -0.38 0
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175792 75948439 1 O3N6C17H20 A3B6C17D20 6.79 3.79 -9.02 -0.68 0
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175793 75948441 1 SO3N4C16H20 AB3C4D16E20 -37.32 3.02 -9.18 -0.76 0
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175794 75948468 1 O3N4H20C22 A3B4C20D22 44.85 4.43 -9.33 -1.05 0
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175795 75948882 1 SN3O3C18H23 AB3C3D18E23 -54.58 9.61 -9.23 -0.96 0
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175796 75949056 1 BrClON4C18H20 ABCD4E18F20 25.03 4.28 -9.08 -0.57 0
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175797 75949166 1 SO2N3C25H33 AB2C3D25E33 -63.68 4.37 -8.55 -0.43 -1
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175798 75949284 1 N3O4C22H22 A3B4C22D22 -89.12 7.19 0.0 0.0 0
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175799 75949422 1 SO2N3C15H17 AB2C3D15E17 -34.56 3.75 -9.13 -1.14 0
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175800 75949505 1 N2O5C19H20 A2B5C19D20 -75.03 4.75 -8.38 -1.42 0
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175801 75949694 1 ClN3O3C23H24 AB3C3D23E24 -12.76 7.06 -8.54 -1.41 -1
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175802 75949695 1 NSO5C13H14 ABC5D13E14 -131.88 3.08 0.0 0.0 0
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175803 75949748 1 SN3O3C15H17 AB3C3D15E17 -48.64 4.63 -8.87 -1.9 1
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175804 75949749 1 N3O3C11H20 A3B3C11D20 -41.34 11.55 0.0 0.0 -1
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175805 75949969 1 F2N2O4H5C11 A2B2C4D5E11 -164.1 5.08 0.0 0.0 0
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175806 75950058 1 FO2N5H18C24 AB2C5D18E24 60.04 8.48 -9.43 -1.54 0
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175807 75950059 1 FO2N5H18C24 AB2C5D18E24 63.29 9.24 -9.28 -1.41 1
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175808 75950501 1 SO3N5C26H26 AB3C5D26E26 75.57 4.84 0.0 0.0 0
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175809 75950665 1 Cl2N3O4H23C24 A2B3C4D23E24 -88.34 6.41 -8.43 -0.47 0
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175810 75951004 1 FNOC16H22 ABCD16E22 -108.06 4.9 -8.4 0.31 0
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175811 75951423 1 NO6C22H43 AB6C22D43 -348.4 5.1 -10.28 0.41 0
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175812 75951550 1 BrO4C29H41 AB4C29D41 -181.44 5.72 -9.11 -0.55 0
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175813 75951774 1 BrO3C20H29 AB3C20D29 -144.37 2.49 -9.74 -0.31 0
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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