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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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92834 49989814 1 O5N6C41H50 A5B6C41D50 -182.5 12.78 -8.76 -0.54 0
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92835 49989815 1 FO5N6C41H49 AB5C6D41E49 -235.92 11.99 -8.71 -0.49 0
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92836 49989816 1 FO5N6C42H51 AB5C6D42E51 -242.33 9.32 -8.59 -0.38 0
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92837 49989827 1 O5N6C40H54 A5B6C40D54 -230.8 6.8 -8.89 -0.3 0
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92838 49989828 1 O5N6C41H56 A5B6C41D56 -230.05 10.14 -8.74 -0.71 0
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92839 49989829 1 O5N6C42H58 A5B6C42D58 -236.56 5.03 -8.74 -0.36 0
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92840 49989840 1 ClO5N6C35H45 AB5C6D35E45 -218.72 8.09 -9.09 -0.76 0
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92841 49989842 1 ClO5N6C38H51 AB5C6D38E51 -234.26 10.45 -8.8 -0.65 0
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92842 49989852 1 ClO5N6C40H55 AB5C6D40E55 -248.41 11.04 -8.7 -0.59 0
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92843 49989853 1 O4N5C33H43 A4B5C33D43 -158.66 6.3 -8.75 -0.12 0
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92844 49989866 1 O5N6C39H54 A5B6C39D54 -219.99 8.66 -8.76 -0.3 0
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92845 49989924 1 ClO5N6C42H51 AB5C6D42E51 -197.05 8.65 -8.85 -0.68 0
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92846 49989935 1 Cl2O4N5C33H41 A2B4C5D33E41 -176.81 10.38 -8.85 -0.62 0
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92847 49989944 1 N5O5C34H45 A5B5C34D45 -201.49 5.26 -8.81 -0.37 0
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92848 49989961 1 ClO5N6C39H51 AB5C6D39E51 -231.79 4.37 -8.89 -0.58 0
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92849 49990008 1 ClO5N6C40H53 AB5C6D40E53 -231.75 6.64 -8.83 -0.52 0
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92850 49990022 1 FO5N6C41H49 AB5C6D41E49 -225.58 7.45 -8.8 -0.54 0
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92851 49990036 1 O5N6C36H48 A5B6C36D48 -211.25 13.21 -8.74 -0.36 0
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92852 49990058 1 ClO5N6C35H45 AB5C6D35E45 -217.56 3.51 -9.05 -0.74 0
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92853 49990062 1 ClO5N6C38H51 AB5C6D38E51 -235.58 9.77 -9.13 -0.5 0
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92854 49990102 1 O5N6C37H50 A5B6C37D50 -225.43 4.1 -8.26 -0.22 0
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92855 49990119 1 ClF3O4N5C34H41 AB3C4D5E34F41 -330.52 9.87 -8.79 -1.07 0
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92856 49990132 1 ClO5N6C38H51 AB5C6D38E51 -234.84 5.65 -8.95 -0.52 0
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92857 49990166 1 O5N6C39H52 A5B6C39D52 -217.48 7.33 -8.7 -0.27 0
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92858 49990170 1 ClO5N6C34H43 AB5C6D34E43 -216.57 7.2 -8.91 -0.75 0