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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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91013 49972818 1 O5N6C36H50 A5B6C36D50 -225.94 4.55 -8.36 -0.14 0
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91014 49972819 1 O5N6C35H48 A5B6C35D48 -218.19 9.88 -8.54 -0.25 0
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91015 49972820 1 ClO5N6C39H47 AB5C6D39E47 -182.74 9.72 -8.37 -0.66 0
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91016 49972821 1 O5N6C37H52 A5B6C37D52 -235.25 4.92 -8.24 -0.26 0
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91017 49972822 1 FO5N6C40H49 AB5C6D40E49 -239.39 7.46 -8.45 -0.44 0
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91018 49972843 1 F2O5N6C40H48 A2B5C6D40E48 -283.56 5.84 -9.07 -0.57 0
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91019 49972846 1 ClO5N6C33H43 AB5C6D33E43 -219.69 10.66 -8.93 -0.72 0
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91020 49972848 1 ClO5N6C36H49 AB5C6D36E49 -227.18 6.29 -8.85 -0.75 0
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91021 49972851 1 ClO5N6C37H51 AB5C6D37E51 -233.28 8.38 -8.88 -0.84 0
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91022 49972852 1 ClO5N6C37H49 AB5C6D37E49 -221.57 5.15 -8.91 -0.43 0
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91023 49972857 1 O5N6C41H52 A5B6C41D52 -199.01 3.4 -8.24 -0.25 0
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91024 49972858 1 O5N6C41H52 A5B6C41D52 -196.03 8.1 -8.55 -0.52 0
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91025 49972863 1 FO5N6C40H49 AB5C6D40E49 -235.05 5.98 -8.35 -0.63 0
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91026 49972877 1 FO4N5C33H44 AB4C5D33E44 -220.78 5.98 -8.88 -0.45 0
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91027 49972880 1 SO4N7C29H41 AB4C7D29E41 -150.55 5.66 -9.06 -0.46 0
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91028 49972881 1 N5O6C34H47 A5B6C34D47 -247.73 5.22 -8.22 -0.14 0
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91029 49972882 1 SO4N7C31H45 AB4C7D31E45 -157.91 10.66 -9.22 -0.46 0
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91030 49972893 1 ClO5N6C33H43 AB5C6D33E43 -211.49 3.95 -8.94 -0.88 0
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91031 49972898 1 O5N6C37H52 A5B6C37D52 -234.1 4.47 -8.2 -0.14 0
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91032 49972899 1 O5N6C36H50 A5B6C36D50 -226.65 9.97 -8.86 -0.42 0
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91033 49972905 2 N3O3C20H25 A3B3C20D25 -225.81 5.36 -8.51 -0.27 0
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91034 49972906 1 FO5N6C39H47 AB5C6D39E47 -228.7 10.85 -8.74 -0.66 0
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91035 49972909 1 ClF3O4N5C33H41 AB3C4D5E33F41 -331.73 6.45 -8.85 -0.9 0
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91036 49972924 1 O4N5C34H47 A4B5C34D47 -185.01 11.0 -8.79 -0.07 0
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91037 49972926 1 O4N5C34H47 A4B5C34D47 -174.63 8.32 -8.91 -0.14 0