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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90506 49970082 1 O5N6C42H58 A5B6C42D58 -223.8 5.74 -9.14 -0.35 0
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90507 49970083 1 O5N6C39H54 A5B6C39D54 -228.68 7.97 -8.81 -0.3 0
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90508 49970085 1 O5N6C40H54 A5B6C40D54 -216.88 4.24 -8.94 -0.28 0
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90509 49970086 1 O5N6C41H56 A5B6C41D56 -226.88 2.26 -8.78 -0.19 0
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90511 49970089 1 ClO5N6C38H49 AB5C6D38E49 -213.1 11.56 -8.86 -0.42 0
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90512 49970090 1 ClO5N6C39H51 AB5C6D39E51 -216.85 7.17 -8.82 -0.32 0
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90513 49970092 1 ClN6O6C38H49 AB6C6D38E49 -249.4 6.8 -8.94 -0.56 0
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90514 49970093 1 ClO5N6C39H51 AB5C6D39E51 -217.6 7.57 -8.67 -0.96 0
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90515 49970094 1 ClO5N6C40H53 AB5C6D40E53 -229.48 8.39 -9.0 -0.51 0
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90516 49970095 1 ClO5N6C38H51 AB5C6D38E51 -224.79 9.32 -9.03 -0.73 0
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90517 49970101 1 O5N6C36H48 A5B6C36D48 -217.35 9.71 -8.28 -0.02 0
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90518 49970111 1 O5N6C42H58 A5B6C42D58 -233.84 9.66 -8.72 -0.3 0
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90519 49970113 1 O5N6C41H56 A5B6C41D56 -230.37 6.09 -8.95 -0.34 0
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90520 49970114 1 O5N6C42H58 A5B6C42D58 -237.21 9.77 -8.78 -0.26 0
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90521 49970155 1 FO5N6C42H51 AB5C6D42E51 -230.49 9.49 -8.76 -0.33 0
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90522 49970156 1 FO5N6C43H53 AB5C6D43E53 -241.31 5.95 -8.74 -0.57 0
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90523 49970159 1 ClO5N6C35H45 AB5C6D35E45 -209.29 9.38 -8.87 -0.92 0
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90524 49970165 1 O5N6C37H50 A5B6C37D50 -221.17 11.23 -8.73 -0.59 0
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90525 49970174 2 N3O3C21H26 A3B3C21D26 -216.92 8.48 -8.55 -0.64 0
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90526 49970175 2 N3O3C21H26 A3B3C21D26 -218.55 6.31 -8.03 -0.43 0
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90527 49970176 1 N6O6C41H50 A6B6C41D50 -207.27 10.26 -8.1 -0.3 0
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90528 49970186 1 O5N6C40H56 A5B6C40D56 -223.84 7.38 -8.65 -0.38 0
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90529 49970187 1 O5N6C40H54 A5B6C40D54 -212.44 5.64 -8.78 -0.38 0
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90530 49970190 2 N3O3C20H27 A3B3C20D27 -249.86 6.28 -8.91 -0.27 0
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90531 49970191 1 O5N6C41H56 A5B6C41D56 -233.24 6.96 -8.73 -0.29 0