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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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105157 50106511 1 O5N6C28H36 A5B6C28D36 -201.98 6.42 -8.35 -0.38 0
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105158 50106512 1 FO5N6C33H37 AB5C6D33E37 -214.84 5.59 -8.46 -0.47 0
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105159 50106514 2 N3O3C17H20 A3B3C17D20 -209.97 9.17 -8.38 -0.41 0
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105160 50106515 1 FO5N6C33H37 AB5C6D33E37 -217.48 5.24 -8.38 -0.71 0
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105161 50106516 1 O5N6C34H40 A5B6C34D40 -177.67 8.13 -8.54 -0.35 0
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105162 50106521 1 O4N5C27H35 A4B5C27D35 -164.96 8.86 -8.86 -0.28 0
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105163 50106525 1 O5N6C28H36 A5B6C28D36 -192.04 5.57 -8.99 -0.52 0
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105164 50106529 1 FO5N6C34H39 AB5C6D34E39 -220.22 2.39 -8.98 -0.56 0
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105165 50106530 1 F2O5N6C33H36 A2B5C6D33E36 -254.43 11.4 -9.18 -0.58 0
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105166 50106531 1 O5N6C30H40 A5B6C30D40 -208.75 5.67 -9.2 -0.64 0
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105167 50106533 1 FCl2O3N4C29H29 AB2C3D4E29F29 -139.39 5.41 -8.67 -0.74 0
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105168 50106534 1 ClO3F4N4H29C30 AB3C4D4E29F30 -295.57 9.54 -8.63 -1.12 0
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105169 50106535 2 N3O3C17H23 A3B3C17D23 -255.1 3.77 -8.95 -0.56 0
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105170 50106537 1 N6O6C31H42 A6B6C31D42 -236.07 6.16 -8.89 -0.66 0
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105171 50106540 1 FO3N4C31H35 AB3C4D31E35 -146.9 7.88 -8.63 -0.38 0
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105172 50106547 1 O5N6C29H38 A5B6C29D38 -210.03 7.55 -8.57 -0.53 0
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105173 50106548 1 FO5N6C34H39 AB5C6D34E39 -225.53 2.68 -8.88 -0.38 0
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105174 50106550 1 FN6O6C33H37 AB6C6D33E37 -244.21 8.26 -8.84 -0.58 0
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105175 50106551 1 F2O5N6C32H34 A2B5C6D32E34 -253.8 7.47 -8.75 -0.73 0
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105176 50106559 1 O5N6C33H44 A5B6C33D44 -217.26 6.65 -8.99 -0.39 0
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105177 50106560 1 FO5N6C33H37 AB5C6D33E37 -212.05 2.23 -9.0 -0.46 0
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105178 50106561 1 F2O5N6C32H34 A2B5C6D32E34 -250.86 9.03 -9.04 -0.54 0
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105179 50106562 1 O5N6C29H38 A5B6C29D38 -192.79 8.66 -8.96 -0.49 0
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105180 50106565 1 FO5N6C34H39 AB5C6D34E39 -221.72 8.36 -8.9 -0.6 0
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105181 50106568 1 F2O5N6C33H36 A2B5C6D33E36 -259.14 5.67 -8.92 -0.51 0