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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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113018 50429044 2 N3O3C21H23 A3B3C21D23 -179.58 4.06 -8.18 -0.53 0
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113019 50429178 1 FN6O6C43H47 AB6C6D43E47 -239.84 5.51 -8.11 -0.47 0
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113020 50429205 1 ClFO4N5C32H35 ABC4D5E32F35 -185.99 5.14 -8.91 -0.54 0
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113021 50429368 1 FN6O6C40H49 AB6C6D40E49 -262.15 8.99 -8.91 -0.88 0
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113022 50429369 1 O4N5C32H45 A4B5C32D45 -181.26 3.22 -8.79 -0.13 0
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113023 50429379 1 O5N6C30H40 A5B6C30D40 -196.62 9.27 -8.93 -0.89 0
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113024 50429417 1 FO5N6C41H49 AB5C6D41E49 -230.39 10.12 -8.75 -0.33 0
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113025 50429497 1 F2O4N5C30H39 A2B4C5D30E39 -256.66 13.05 -8.62 -1.25 0
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113026 50429581 1 FO5N6C36H43 AB5C6D36E43 -234.54 11.15 -8.72 -0.59 0
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113027 50429586 1 ClFO5N6C39H46 ABC5D6E39F46 -246.7 12.34 -8.9 -0.76 0
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113028 50429587 1 ClFO5N6C37H44 ABC5D6E37F44 -243.81 4.18 -9.0 -0.77 0
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113029 50429588 1 ClFO5N6C34H38 ABC5D6E34F38 -226.69 6.29 -8.8 -0.85 0
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113030 50429632 1 O4N5C29H39 A4B5C29D39 -167.45 3.81 -8.39 -0.26 0
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113031 50429704 1 FN6O6C41H45 AB6C6D41E45 -235.47 4.36 -8.62 -0.52 0
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113032 50429705 1 FN6O6C41H45 AB6C6D41E45 -243.35 7.79 -8.21 -0.4 0
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113033 50429709 1 F2O5N6C40H42 A2B5C6D40E42 -246.2 9.43 -8.87 -0.56 0
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113034 50429715 1 F2O5N6C39H40 A2B5C6D39E40 -235.84 5.93 -9.1 -0.62 0
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113035 50429716 1 F3O5N6C39H39 A3B5C6D39E39 -278.97 5.98 -8.97 -0.84 0
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113036 50429758 1 FO4N5C28H36 AB4C5D28E36 -202.16 6.42 -8.77 -0.26 0
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113037 50429759 1 ClO4N5C28H36 AB4C5D28E36 -166.34 5.62 -8.55 -0.41 0
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113038 50429783 1 FO5N6C36H43 AB5C6D36E43 -234.15 8.46 -8.87 -0.69 0
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113039 50429843 1 F2O5N6C40H42 A2B5C6D40E42 -241.37 3.97 -8.69 -0.68 0
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113040 50429844 1 FN6O6C41H45 AB6C6D41E45 -238.52 6.68 -8.46 -0.38 0
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113041 50429845 1 FN6O6C41H45 AB6C6D41E45 -234.41 4.09 -8.6 -0.48 0
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113042 50429846 1 ClFO5N6C40H42 ABC5D6E40F42 -209.79 6.43 -8.9 -1.04 0