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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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93630 49995730 2 N3O3C21H26 A3B3C21D26 -227.85 8.3 -8.45 -0.55 0
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93631 49995731 1 ClO5N6C41H49 AB5C6D41E49 -193.68 11.32 -8.55 -0.63 0
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93632 49995732 1 O5N6C38H52 A5B6C38D52 -228.62 6.78 -8.59 -0.09 0
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93633 49995738 1 O5N6C43H56 A5B6C43D56 -217.19 6.98 -8.51 -0.33 0
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93634 49995766 1 O5N6C41H50 A5B6C41D50 -170.42 13.9 -8.91 -0.8 0
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93635 49995769 1 O5N6C39H54 A5B6C39D54 -235.08 8.91 -8.81 -0.15 0
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93636 49995770 1 FO5N6C42H51 AB5C6D42E51 -239.34 7.64 -8.76 -0.59 0
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93638 49995810 1 ClO5N6C38H51 AB5C6D38E51 -238.86 9.21 -8.78 -0.63 0
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93639 49995819 1 N6O6C43H54 A6B6C43D54 -232.95 3.25 -8.09 -0.4 0
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93640 49995821 1 N6O6C43H54 A6B6C43D54 -232.31 7.85 -8.39 -0.4 0
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93641 49995824 1 FO5N6C42H53 AB5C6D42E53 -254.82 9.65 -8.81 -0.55 0
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93642 49995825 1 FO5N6C42H53 AB5C6D42E53 -252.94 11.78 -8.76 -0.51 0
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93643 49995826 1 FO5N6C42H53 AB5C6D42E53 -251.38 8.02 -8.82 -0.48 0
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93644 49995827 1 FO5N6C41H51 AB5C6D41E51 -240.93 4.63 -8.65 -0.43 0
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93645 49995868 1 FO5N6C39H55 AB5C6D39E55 -295.44 6.69 -8.76 -0.24 0
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93647 49995872 1 F2O5N6C41H50 A2B5C6D41E50 -289.85 4.74 -8.73 -0.79 0
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93648 49995876 1 FO5N6C41H51 AB5C6D41E51 -242.03 6.23 -8.73 -0.6 0
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93649 49995878 1 FO5N6C41H49 AB5C6D41E49 -228.14 8.8 -8.87 -0.65 0
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93650 49995879 1 FO5N6C42H51 AB5C6D42E51 -239.55 8.34 -8.7 -0.48 0
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93651 49995880 1 O5N6C42H52 A5B6C42D52 -188.13 15.86 -8.74 -0.81 0
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93652 49995881 1 FO5N6C41H49 AB5C6D41E49 -227.76 13.18 -8.89 -0.89 0
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93653 49995899 2 N3O3C21H29 A3B3C21D29 -263.45 5.69 -8.4 -0.28 0
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93654 49995902 1 F2O5N6C42H52 A2B5C6D42E52 -298.35 9.7 -8.77 -1.05 0
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93655 49995910 1 O5N6C43H56 A5B6C43D56 -211.29 7.9 -8.98 -0.84 0
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93656 49995918 1 F2O5N6C42H52 A2B5C6D42E52 -295.35 7.62 -8.93 -0.42 0