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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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112090 50394300 1 FO5N6C39H47 AB5C6D39E47 -226.89 12.02 -8.62 -0.45 0
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112091 50394322 1 BrN5O5C34H44 AB5C5D34E44 -209.61 6.91 -8.6 -0.11 0
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112092 50394323 1 N5O7C34H45 A5B7C34D45 -263.85 8.86 -8.32 -0.47 0
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112093 50394324 1 N5O6C34H45 A5B6C34D45 -234.84 2.73 -8.32 -0.18 0
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112094 50394371 1 F2O5N6C38H44 A2B5C6D38E44 -276.76 4.43 -8.96 -0.74 0
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112095 50394372 1 F2O5N6C38H44 A2B5C6D38E44 -276.42 3.34 -8.86 -0.9 0
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112096 50394373 1 FN6O6C39H47 AB6C6D39E47 -271.28 0.81 -8.8 -0.5 0
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112097 50394399 1 F2O5N6C38H44 A2B5C6D38E44 -275.76 10.05 -8.79 -0.73 0
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112098 50394400 1 FO5N6C38H45 AB5C6D38E45 -232.89 6.95 -9.08 -0.49 0
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112099 50394401 1 FO5N6C39H47 AB5C6D39E47 -239.23 10.93 -8.72 -0.76 0
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112100 50394430 1 O5N6C39H54 A5B6C39D54 -232.02 6.97 -8.91 -0.37 0
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112101 50394431 1 O5N6C40H56 A5B6C40D56 -236.27 9.77 -8.73 -0.54 0
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112102 50394628 1 O5N6C38H54 A5B6C38D54 -238.06 5.32 -8.61 -0.23 0
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112103 50394828 1 FN6O6C40H51 AB6C6D40E51 -282.4 5.36 -8.56 -0.55 0
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112104 50394943 1 ClO5N6C39H53 AB5C6D39E53 -229.7 5.62 -8.86 -0.59 0
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112105 50394980 1 F2O3N4C31H34 A2B3C4D31E34 -183.28 5.76 -8.9 -0.24 0
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112106 50394989 1 FN5O5C35H40 AB5C5D35E40 -203.79 5.74 -9.08 -0.6 0
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112107 50395035 1 ClO5N6C39H55 AB5C6D39E55 -253.99 7.47 -8.66 -0.26 0
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112108 50395036 1 ClO5N6C40H51 AB5C6D40E51 -213.28 7.27 -8.79 -0.49 0
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112109 50395037 1 O5N6C39H54 A5B6C39D54 -228.05 4.41 -8.9 -0.3 0
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112110 50395122 3 FN2O2C14H15 AB2C2D14E15 -324.23 3.43 -8.59 -0.7 0
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112111 50395142 1 ClO5N6C40H51 AB5C6D40E51 -213.41 5.07 -8.55 -0.54 0
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112112 50395143 2 N3O3C20H28 A3B3C20D28 -259.21 4.39 -8.69 -0.22 0
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112113 50395144 1 N6O7C38H52 A6B7C38D52 -281.09 9.2 -8.95 -0.53 0
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112114 50395145 3 N2O2C13H18 A2B2C13D18 -264.51 7.06 -8.67 -0.25 0