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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85259 49873176 1 SN2O4C26H30 AB2C4D26E30 -100.53 3.19 -8.62 -1.24 0
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85260 49873185 1 ClNO4C22H34 ABC4D22E34 -198.93 5.62 -8.74 -0.1 0
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85261 49873255 2 O2C7H9 A2B7C9 -167.96 4.06 -9.46 -0.76 0
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85262 49873302 1 O6N8C45H46 A6B8C45D46 -145.07 2.83 -8.69 -0.42 0
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85263 49873310 1 PN8O11C36H55 AB8C11D36E55 -558.46 10.34 -9.08 -0.01 0
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85264 49873321 1 FO2N4C21H23 AB2C4D21E23 -78.15 4.35 -9.33 -1.02 0
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85265 49873323 1 S2N3C20H39 A2B3C20D39 -48.13 3.07 -8.68 0.64 0
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85266 49873324 2 FN4H7C11 AB4C7D11 100.37 2.21 -9.4 -1.36 0
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85267 49873325 2 FN4H7C11 AB4C7D11 100.19 1.67 -9.45 -1.36 0
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85268 49873338 1 NO2F4C33H35 AB2C4D33E35 -241.24 6.7 -9.16 -0.8 0
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85269 49873340 1 N5C15H19 A5B15C19 65.5 3.58 -8.94 -0.15 0
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85270 49873349 1 ClSN3O3C26H30 ABC3D3E26F30 -71.48 5.55 -8.9 -0.96 0
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85271 49873354 1 ClN2O6C26H33 AB2C6D26E33 -239.43 3.83 -8.18 -0.55 0
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85272 49873356 1 O2N3C24H33 A2B3C24D33 -73.57 3.67 -9.36 -0.73 0
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85273 49873359 1 O2N5H29C30 A2B5C29D30 40.37 2.45 -8.38 -1.2 0
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85274 49873365 1 ON6H18C20 AB6C18D20 103.7 4.46 -9.14 -1.08 0
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85275 49873366 1 ON5C18H19 AB5C18D19 66.77 2.29 -9.24 -1.04 0
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85276 49873378 1 ClON4H11C13 ABC4D11E13 39.09 2.13 -9.04 -1.15 0
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85277 49873382 1 CoN2O4C22H28 AB2C4D22E28 -133.63 9.34 0.0 0.0 -5
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85279 49873395 1 SnO2C11H26 AB2C11D26 -109.02 2.51 -7.94 -0.73 0
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85281 49873398 1 NSnO3C15H33 ABC3D15E33 -153.31 1.84 -7.49 0.06 0
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85283 49873420 1 SnCl3O3C11H15 AB3C3D11E15 -114.94 3.28 -7.63 -0.75 0
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85286 49873456 1 TiO6C40H52 AB6C40D52 -187.58 5.01 -7.57 -0.79 0
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85294 49873532 1 O5C15H22 A5B15C22 -184.63 2.21 -9.82 0.57 0
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85296 49873536 2 OH5C6 AB5C6 -0.33 4.15 -7.91 -1.21 0