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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90584 49970514 1 FO5N6C42H51 AB5C6D42E51 -231.57 5.35 -8.87 -0.45 0
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90585 49970518 1 O5N6C41H56 A5B6C41D56 -224.34 3.7 -8.93 -0.22 0
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90586 49970524 1 N6O6C39H52 A6B6C39D52 -245.27 10.21 -8.88 -0.23 0
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90587 49970529 1 O5N6C42H58 A5B6C42D58 -238.77 7.97 -8.63 -0.37 0
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90588 49970530 1 O5N6C39H54 A5B6C39D54 -230.44 10.03 -8.85 -0.33 0
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90589 49970533 1 FO5N6C42H51 AB5C6D42E51 -226.35 9.82 -8.89 -0.44 0
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90590 49970542 1 ClO5N6C36H47 AB5C6D36E47 -213.81 5.48 -8.81 -0.86 0
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90591 49970543 1 ClO5N6C37H49 AB5C6D37E49 -232.5 5.2 -8.79 -0.8 0
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90592 49970547 1 ClO5N6C38H49 AB5C6D38E49 -219.18 8.91 -8.78 -0.84 0
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90593 49970551 1 ClO5N6C36H47 AB5C6D36E47 -218.11 9.13 -8.71 -0.62 0
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90594 49970553 1 ClO5N6C38H51 AB5C6D38E51 -234.7 4.57 -8.29 -0.24 0
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90595 49970557 1 O5N6C39H54 A5B6C39D54 -229.25 4.59 -8.88 -0.25 0
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90596 49970566 1 FO5N6C42H51 AB5C6D42E51 -235.58 12.05 -8.85 -0.8 0
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90597 49970586 1 ClO5N6C34H43 AB5C6D34E43 -214.23 8.05 -8.65 -1.09 0
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90598 49970610 1 O5N6C40H54 A5B6C40D54 -223.2 4.72 -8.71 -0.27 0
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90599 49970611 1 O5N6C41H56 A5B6C41D56 -233.72 7.2 -8.86 -0.26 0
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90600 49970613 1 ClO5N6C37H49 AB5C6D37E49 -214.88 6.3 -8.9 -0.68 0
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90601 49970620 1 ClO5N6C40H53 AB5C6D40E53 -239.61 8.81 -8.81 -0.61 0
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90602 49970647 1 O5N6C41H50 A5B6C41D50 -184.77 2.52 -8.84 -0.35 0
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90604 49970693 1 FO5N6C39H47 AB5C6D39E47 -221.74 9.43 -8.8 -0.68 0
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90605 49970708 2 N3O3C20H25 A3B3C20D25 -221.31 12.17 -8.48 -0.52 0
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90606 49970711 1 O5N6C33H44 A5B6C33D44 -203.75 6.01 -8.88 -0.78 0
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90608 49970713 1 F2O5N6C39H46 A2B5C6D39E46 -268.15 4.67 -9.02 -0.76 0
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90609 49970714 1 FO5N6C38H51 AB5C6D38E51 -274.43 8.27 -8.78 -0.31 0
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90610 49970717 1 FO5N6C39H47 AB5C6D39E47 -226.25 6.31 -8.76 -0.52 0