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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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112014 50391993 1 ClO5N6C39H47 AB5C6D39E47 -200.68 2.64 -8.58 -0.29 0
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112015 50392076 1 O5N6C39H48 A5B6C39D48 -177.0 7.06 -8.92 -0.57 0
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112016 50392119 1 FN6O7C40H49 AB6C7D40E49 -302.75 9.35 -8.2 -0.51 0
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112017 50392161 1 ClO5N6C36H49 AB5C6D36E49 -245.72 4.6 -8.77 -0.57 0
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112018 50392186 1 N6O6C43H56 A6B6C43D56 -244.07 8.69 -8.4 -0.45 0
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112019 50392281 1 ClO5N6C33H43 AB5C6D33E43 -217.14 4.89 -8.6 -0.49 0
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112020 50392339 1 O5N6C37H50 A5B6C37D50 -218.39 4.69 -8.82 -0.13 0
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112021 50392386 1 FO5N6C37H43 AB5C6D37E43 -219.42 6.53 -8.95 -0.91 0
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112022 50392406 2 N3O3C19H26 A3B3C19D26 -262.09 3.73 -8.14 -0.32 0
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112023 50392456 1 ClO5N6C38H51 AB5C6D38E51 -231.17 6.18 -8.73 -0.96 0
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112024 50392457 1 ClO5N6C36H49 AB5C6D36E49 -227.9 12.92 -8.93 -0.99 0
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112025 50392690 1 N5O5C32H43 A5B5C32D43 -208.71 3.92 -8.56 -0.1 0
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112026 50392735 1 O5N6C42H54 A5B6C42D54 -210.48 5.47 -8.52 -0.58 0
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112027 50392736 1 FO5N6C42H53 AB5C6D42E53 -254.69 5.93 -8.69 -0.76 0
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112028 50392737 1 FO5N6C42H53 AB5C6D42E53 -248.87 0.53 -8.64 -0.78 0
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112029 50392812 1 O5N6C39H54 A5B6C39D54 -228.32 6.71 -8.88 -0.19 0
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112030 50392813 1 N6O6C37H50 A6B6C37D50 -250.29 2.73 -8.96 -0.29 0
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112031 50392814 1 O5N6C38H52 A5B6C38D52 -222.95 5.62 -8.95 -0.3 0
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112032 50392815 1 O5N6C39H54 A5B6C39D54 -232.69 9.33 -8.82 -0.17 0
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112033 50392827 1 O5N6C39H48 A5B6C39D48 -183.98 7.45 -8.21 -0.4 0
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112034 50392828 1 O5N6C39H48 A5B6C39D48 -184.98 7.89 -8.44 -0.46 0
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112035 50392829 1 ClO5N6C38H45 AB5C6D38E45 -183.08 4.02 -8.47 -0.78 0
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112036 50392872 1 O4N5C33H45 A4B5C33D45 -185.44 2.83 -8.89 -0.24 0
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112037 50392873 1 BrO4N5C33H44 AB4C5D33E44 -192.72 3.25 -8.73 -0.14 0
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112038 50392885 1 ClO5N6C34H45 AB5C6D34E45 -218.29 7.29 -8.9 -0.62 0