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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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112642 50414232 1 FN6O6C37H45 AB6C6D37E45 -269.36 7.28 -8.2 -0.49 0
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112643 50414233 1 FN6O6C37H45 AB6C6D37E45 -263.5 6.93 -8.43 -0.68 0
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112644 50414234 2 N3O3C17H24 A3B3C17D24 -265.71 4.63 -7.98 -0.1 0
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112645 50414254 1 O5N6C36H48 A5B6C36D48 -217.22 4.03 -8.12 -0.26 0
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112646 50414270 2 N3O3C18H25 A3B3C18D25 -261.46 4.95 -8.21 -0.18 0
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112647 50414286 1 F2O5N6C37H44 A2B5C6D37E44 -268.94 7.96 -8.8 -0.58 0
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112648 50414307 1 ClO5N6C34H47 AB5C6D34E47 -232.5 5.42 -8.93 -0.68 0
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112649 50414308 2 N3O3C18H26 A3B3C18D26 -261.46 11.14 -8.39 -0.18 0
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112650 50414342 1 O5N6C37H52 A5B6C37D52 -233.0 5.11 -8.79 -0.34 0
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112651 50414377 1 ClO5N6C35H39 AB5C6D35E39 -167.03 7.6 -8.8 -0.87 0
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112652 50414391 1 N6O6C37H46 A6B6C37D46 -218.52 7.74 -8.38 -0.5 0
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112653 50414452 1 FO5N6C43H47 AB5C6D43E47 -199.46 2.0 -8.27 -0.29 0
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112654 50414453 1 FO5N6C43H47 AB5C6D43E47 -199.35 3.35 -8.24 -0.34 0
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112655 50414553 1 O5N6C36H50 A5B6C36D50 -214.14 3.99 -9.19 -0.49 0
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112656 50414592 1 FO5N6C40H49 AB5C6D40E49 -239.25 5.37 -8.23 -0.3 0
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112657 50414688 1 O5N6C37H44 A5B6C37D44 -173.58 8.54 -8.7 -0.78 0
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112658 50414737 1 F3O4N5H32C35 A3B4C5D32E35 -219.41 2.78 -9.1 -0.65 0
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112659 50414738 1 F3O4N5H34C36 A3B4C5D34E36 -233.96 5.89 -8.78 -0.73 0
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112660 50414739 1 F2O4N5C31H33 A2B4C5D31E33 -204.19 7.37 -9.19 -0.62 0
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112661 50414794 1 ClO5N6C36H41 AB5C6D36E41 -175.38 7.4 -8.68 -0.78 0
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112662 50414795 1 O5N6C37H44 A5B6C37D44 -178.5 6.45 -8.42 -0.14 0
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112663 50414796 1 O5N6C36H42 A5B6C36D42 -166.92 5.36 -8.52 -0.42 0
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112664 50414832 1 ClF2O5N6C36H41 AB2C5D6E36F41 -283.14 8.43 -9.1 -0.7 0
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112665 50414862 1 O5N6C37H50 A5B6C37D50 -212.63 10.49 -9.0 -0.55 0
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112666 50415006 1 N6O6C41H52 A6B6C41D52 -219.46 3.26 -8.55 -0.19 0