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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94641 50002880 1 FO5N6C39H47 AB5C6D39E47 -226.93 7.26 -8.74 -0.39 0
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94642 50002901 1 O5N6C40H56 A5B6C40D56 -235.87 11.45 -8.82 -0.74 0
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94643 50002912 1 FO5N6C36H49 AB5C6D36E49 -272.39 8.72 -8.83 -0.42 0
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94644 50002928 1 O5N6C37H52 A5B6C37D52 -234.82 6.18 -8.64 -0.5 0
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94645 50002929 1 O5N6C37H50 A5B6C37D50 -222.02 7.03 -8.85 -0.3 0
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94646 50002972 1 ClO5N6C34H45 AB5C6D34E45 -214.73 11.15 -8.86 -0.72 0
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94648 50002974 1 ClO5N6C38H51 AB5C6D38E51 -226.5 10.97 -8.75 -0.75 0
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94649 50002976 1 ClO5N6C36H49 AB5C6D36E49 -226.85 7.89 -8.98 -0.65 0
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94650 50002999 1 FO5N6C39H47 AB5C6D39E47 -226.31 4.87 -8.93 -0.54 0
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94651 50003010 1 ClO5N6C38H45 AB5C6D38E45 -189.25 6.72 -8.91 -1.06 0
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94652 50003013 1 ClO5N6C34H45 AB5C6D34E45 -207.25 9.76 -8.85 -0.9 0
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94653 50003017 1 ClO5N6C36H49 AB5C6D36E49 -232.88 9.24 -8.75 -0.92 0
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94655 50003022 1 ClO5N6C39H47 AB5C6D39E47 -197.59 5.38 -8.45 -0.44 0
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94656 50003030 1 ClO3N4C27H35 AB3C4D27E35 -129.32 7.62 -8.92 -0.2 0
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94657 50003037 1 O5N6C39H54 A5B6C39D54 -237.32 6.56 -8.84 -0.23 0
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94658 50003039 1 O5N6C37H52 A5B6C37D52 -225.29 6.71 -8.82 -0.31 0
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94659 50003049 1 ClO5N6C33H43 AB5C6D33E43 -210.64 4.64 -8.98 -0.84 0
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94660 50003053 3 N2O2C13H16 A2B2C13D16 -218.8 7.09 -8.18 -0.23 0
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94661 50003066 1 FO5N6C39H47 AB5C6D39E47 -228.99 7.86 -8.98 -0.81 0
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94663 50003074 1 FO5N6C38H45 AB5C6D38E45 -228.34 3.57 -8.44 -0.76 0
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94664 50003077 1 ClO5N6C38H45 AB5C6D38E45 -186.45 9.79 -8.32 -0.73 0
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94665 50003079 1 Cl2O3N4C27H34 A2B3C4D27E34 -131.04 7.62 -8.91 -0.61 0
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94666 50003081 1 FO5N6C39H47 AB5C6D39E47 -221.37 9.11 -8.95 -0.68 0
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94667 50003082 1 FO5N6C40H49 AB5C6D40E49 -233.43 3.52 -8.77 -0.46 0
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94668 50003083 1 ClO5N6C32H41 AB5C6D32E41 -218.01 9.96 -8.94 -0.63 0