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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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95131 50006584 1 O5N6C40H56 A5B6C40D56 -228.91 8.12 -8.7 -0.53 0
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95132 50006586 1 FO5N6C41H51 AB5C6D41E51 -245.58 9.06 -8.69 -0.78 0
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95133 50006588 1 F2O5N6C40H48 A2B5C6D40E48 -281.33 5.54 -9.09 -0.9 0
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95134 50006589 1 O5N6C40H50 A5B6C40D50 -183.42 8.52 -8.62 -0.36 0
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95135 50006590 1 FO5N6C40H49 AB5C6D40E49 -234.45 9.62 -8.83 -0.88 0
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95136 50006596 1 FO5N6C41H51 AB5C6D41E51 -252.8 3.01 -8.91 -0.51 0
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95137 50006597 1 ClO5N6C39H55 AB5C6D39E55 -250.33 5.77 -8.75 -0.77 0
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95138 50006598 1 ClN6O6C37H51 AB6C6D37E51 -270.76 7.85 -8.84 -0.87 0
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95139 50006600 1 ClO5N6C39H55 AB5C6D39E55 -256.77 6.02 -8.81 -0.74 0
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95140 50006603 1 ClO5N6C37H53 AB5C6D37E53 -244.37 9.4 -8.89 -0.59 0
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95141 50006643 1 O5N6C40H52 A5B6C40D52 -201.28 3.77 -8.29 -0.3 0
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95142 50006653 1 O5N6C36H52 A5B6C36D52 -241.84 4.86 -8.3 -0.16 0
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95143 50006661 1 O4N5C33H45 A4B5C33D45 -176.39 3.02 -8.73 -0.2 0
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95144 50006662 1 N5O5C33H45 A5B5C33D45 -202.7 7.42 -8.57 -0.05 0
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95145 50006664 1 O4N5C34H47 A4B5C34D47 -184.6 3.32 -8.68 -0.24 0
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95146 50006665 1 Cl2O4N5C32H41 A2B4C5D32E41 -184.49 10.85 -8.83 -0.4 0
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95147 50006666 1 F2O5N6C40H48 A2B5C6D40E48 -277.46 8.28 -9.14 -0.78 0
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95148 50006667 1 O5N6C40H50 A5B6C40D50 -183.04 6.52 -8.73 -0.4 0
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95149 50006684 1 ClO5N6C37H51 AB5C6D37E51 -219.62 9.56 -8.91 -0.62 0
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95150 50006688 1 ClO5N6C35H47 AB5C6D35E47 -223.1 9.65 -8.82 -0.6 0
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95151 50006689 1 O5N6C35H50 A5B6C35D50 -230.61 6.93 -8.83 -0.42 0
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95152 50006690 1 ClO5N6C39H49 AB5C6D39E49 -205.3 3.69 -8.44 -0.78 0
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95153 50006691 1 O5N6C37H54 A5B6C37D54 -247.83 4.2 -8.22 -0.18 0
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95154 50006695 1 FO5N6C40H51 AB5C6D40E51 -249.46 6.17 -8.32 -0.67 0
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95155 50006705 1 BrClO4N5C32H41 ABC4D5E32F41 -170.69 5.67 -9.03 -0.56 0