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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149404 53789077 1 SN3C13H15 AB3C13D15 61.34 2.1 -8.5 -0.59 0
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149405 53789078 1 SiO2N8C32H53 AB2C8D32E53 -34.24 5.39 0.0 0.0 0
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149406 53789079 1 N5O6C36H49 A5B6C36D49 -244.19 4.02 -9.3 -0.57 0
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149407 53789080 1 SN4C6H8 AB4C6D8 77.58 2.66 -8.92 -1.27 0
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149408 53789081 1 NO2C17H27 AB2C17D27 -108.2 2.29 -8.47 0.37 0
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149409 53789082 1 OPN3C12H28 ABC3D12E28 -113.21 3.39 -8.88 1.26 0
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149410 53789083 1 N3O5C28H33 A3B5C28D33 -133.61 4.96 -8.54 -0.15 0
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149411 53789084 2 OSiN4C34H66 ABC4D34E66 -375.17 2.01 -8.55 1.16 0
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149412 53789085 1 O3C17H18 A3B17C18 -99.41 6.41 -9.23 -0.59 0
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149413 53789086 1 FN2O2C25H33 AB2C2D25E33 -109.77 3.37 -8.88 -0.03 0
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149414 53789087 1 OC24H34 AB24C34 -26.36 1.05 -9.41 0.93 0
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149415 53789088 1 F3O3N5H16C25 A3B3C5D16E25 -88.59 6.64 -9.01 -1.54 0
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149416 53789089 1 NSO3C12H15 ABC3D12E15 -75.37 1.95 -9.02 -0.4 0
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149417 53789090 1 NSO3C12H15 ABC3D12E15 -75.28 1.84 -8.76 -0.25 0
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149418 53789091 1 FSN3O3C23H24 ABC3D3E23F24 -103.61 3.77 -8.74 -0.89 0
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149419 53789092 1 BrNSO3H4C7 ABCD3E4F7 -64.06 4.57 -8.92 -1.0 0
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149420 53789093 1 ON3C9H13 AB3C9D13 -12.35 5.56 -8.78 -0.02 0
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149421 53789094 2 NO2C13H15 AB2C13D15 -120.21 2.7 -7.56 -0.03 1
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149422 53789095 1 SO3N5C20H28 AB3C5D20E28 -12.87 6.31 0.0 0.0 0
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149423 53789096 1 SN2C11H20 AB2C11D20 5.17 4.22 -9.03 0.32 0
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149424 53789097 1 NO6C24H39 AB6C24D39 -303.32 6.23 -9.89 0.21 0
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149425 53789098 1 S2O8C11H20 A2B8C11D20 -358.14 2.0 -9.58 -0.3 0
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149426 53789099 1 S2O8C11H20 A2B8C11D20 -355.51 4.65 -9.41 -0.25 0
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149427 53789100 2 NO3H4C5 AB3C4D5 -58.1 4.25 -11.28 -2.25 0
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149428 53789101 1 ON2H24C35 AB2C24D35 149.75 0.94 -8.27 -1.0 0