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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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92698 49989077 1 O5N6C36H50 A5B6C36D50 -226.79 12.13 -8.81 -0.46 0
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92699 49989081 1 ClO5N6C36H49 AB5C6D36E49 -239.2 9.29 -8.92 -0.68 0
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92700 49989083 1 ClO5N6C37H49 AB5C6D37E49 -231.87 8.63 -8.99 -0.59 0
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92701 49989087 1 ClO5N6C38H51 AB5C6D38E51 -240.12 6.46 -9.12 -0.62 0
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92702 49989117 1 ClO5N6C36H49 AB5C6D36E49 -224.6 12.11 -8.91 -0.73 0
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92703 49989123 3 N2O2C13H18 A2B2C13D18 -265.78 12.0 -8.84 -0.31 0
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92704 49989125 1 N6O6C37H52 A6B6C37D52 -265.13 5.17 -8.82 -0.58 0
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92705 49989142 1 N5O6C33H45 A5B6C33D45 -247.7 5.74 -8.28 -0.2 0
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92706 49989146 1 FO5N6C39H47 AB5C6D39E47 -238.6 9.24 -8.71 -1.12 0
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92707 49989147 1 O5N6C33H44 A5B6C33D44 -219.55 12.06 -8.61 -0.52 0
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92708 49989150 1 O5N6C39H54 A5B6C39D54 -237.17 8.2 -8.79 -0.29 0
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92709 49989188 1 O5N6C37H52 A5B6C37D52 -243.12 9.08 -8.89 -0.22 0
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92710 49989202 1 O5N6C37H52 A5B6C37D52 -235.45 4.92 -9.08 -0.46 0
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92711 49989204 1 O5N6C38H52 A5B6C38D52 -229.22 6.63 -8.86 -0.27 0
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92712 49989205 1 O5N6C39H54 A5B6C39D54 -237.11 7.87 -8.92 -0.4 0
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92713 49989206 1 FO5N6C39H47 AB5C6D39E47 -235.71 3.63 -8.94 -0.49 0
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92714 49989211 1 FN6O6C39H47 AB6C6D39E47 -265.76 11.72 -8.86 -0.84 0
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92716 49989216 1 F2O5N6C39H46 A2B5C6D39E46 -278.87 9.84 -8.89 -0.56 0
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92717 49989220 1 F2O4N5C31H39 A2B4C5D31E39 -258.64 7.47 -8.74 -0.78 0
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92718 49989227 1 O5N6C40H50 A5B6C40D50 -201.27 3.51 -8.53 -0.41 0
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92719 49989232 1 O5N6C33H44 A5B6C33D44 -215.25 6.83 -9.0 -0.53 0
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92720 49989237 1 O5N6C37H52 A5B6C37D52 -235.54 4.59 -8.95 -0.36 0
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92721 49989249 1 ClO5N6C35H47 AB5C6D35E47 -238.88 8.54 -8.82 -0.49 0
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92722 49989251 1 ClO5N6C33H43 AB5C6D33E43 -223.64 4.2 -8.69 -0.58 0
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92723 49989252 1 ClO5N6C36H49 AB5C6D36E49 -245.84 2.36 -8.68 -0.28 0