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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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96390 50020525 1 FO5N6C38H47 AB5C6D38E47 -230.89 6.14 -9.08 -0.94 0
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96391 50020530 1 FO5N6C38H47 AB5C6D38E47 -228.17 4.84 -8.97 -0.65 0
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96392 50020532 1 FO5N6C37H45 AB5C6D37E45 -218.96 6.99 -8.92 -0.65 0
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96394 50020547 1 O5N6C31H42 A5B6C31D42 -206.8 8.99 -9.09 -0.41 0
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96395 50020595 1 FO5N6C40H43 AB5C6D40E43 -195.71 9.94 -8.84 -0.91 0
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96396 50020609 1 O5N6C37H52 A5B6C37D52 -216.83 11.77 -8.85 -0.38 0
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96397 50020613 1 O5N6C38H54 A5B6C38D54 -234.26 11.94 -8.76 -0.36 0
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96398 50020614 1 O5N6C39H56 A5B6C39D56 -238.83 5.98 -8.86 -0.39 0
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96399 50020615 1 O5N6C36H52 A5B6C36D52 -235.54 7.61 -8.87 -0.52 0
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96400 50020620 1 F2O5N6C38H46 A2B5C6D38E46 -276.78 6.56 -8.8 -0.77 0
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96401 50020626 1 O5N6C36H50 A5B6C36D50 -225.7 9.94 -8.9 -0.47 0
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96402 50020632 1 FO5N6C38H47 AB5C6D38E47 -226.8 11.21 -8.99 -0.42 0
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96403 50020633 1 F2O5N6C37H44 A2B5C6D37E44 -271.48 3.84 -8.91 -0.68 0
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96404 50020634 1 FO5N6C38H47 AB5C6D38E47 -232.41 10.43 -8.75 -1.03 0
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96405 50020636 1 BrO5N6C32H43 AB5C6D32E43 -200.72 4.14 -9.01 -0.64 0
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96406 50020638 1 BrO5N6C33H45 AB5C6D33E45 -214.85 3.09 -8.88 -0.76 0
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96407 50020643 1 ClO5N6C36H49 AB5C6D36E49 -227.92 4.64 -9.08 -0.78 0
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96408 50020644 1 ClO5N6C33H45 AB5C6D33E45 -226.87 9.04 -8.8 -0.94 0
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96409 50020697 1 F2O5N6C40H42 A2B5C6D40E42 -236.0 8.96 -8.93 -0.95 0
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96410 50020699 1 BrFO5N6C33H36 ABC5D6E33F36 -213.36 10.03 -9.08 -0.61 0
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96411 50020700 1 BrFO5N6C35H40 ABC5D6E35F40 -210.88 8.12 -9.03 -0.76 0
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96412 50020722 1 O5N6C39H50 A5B6C39D50 -196.21 8.01 -8.7 -0.59 0
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96413 50020738 1 O5N6C37H46 A5B6C37D46 -175.34 6.9 -8.75 -0.85 0
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96414 50020747 1 ClO5N6C35H47 AB5C6D35E47 -219.38 6.2 -8.89 -0.94 0
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96415 50020748 1 ClO5N6C36H49 AB5C6D36E49 -224.84 8.24 -8.67 -0.84 0