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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221960 85292981 1 FeN2O2H22C23 AB2C2D22E23 89.93 2.15 -7.98 -1.14 0
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221961 85292982 1 N2O2H17C18 A2B2C17D18 29.91 3.94 0.0 0.0 0
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221962 85292985 1 O9C20H30 A9B20C30 -382.91 4.21 -9.88 0.12 0
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221963 85292992 1 SN2O4C21H38 AB2C4D21E38 -218.16 4.91 -9.35 0.55 0
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221964 85292999 1 NO8C21H21 AB8C21D21 -271.29 1.48 -8.94 -0.89 0
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221965 85293020 1 N2O4C25H26 A2B4C25D26 -93.51 3.4 -9.4 -0.33 0
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221966 85293028 1 INSF3O3H9C11 ABCD3E3F9G11 -217.26 8.87 -10.34 -1.72 0
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221967 85293030 1 OSN7C21H21 ABC7D21E21 114.79 7.58 -8.43 -1.36 2
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221969 85293050 1 BrClSiO2C18H30 ABCD2E18F30 -128.04 1.94 -9.12 -0.42 -1
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221971 85293068 1 SN3O7C18H21 AB3C7D18E21 -132.95 7.71 -9.76 -1.35 0
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221972 85293078 1 SO4C24H40 AB4C24D40 -234.37 1.3 -8.35 0.18 0
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221973 85293087 1 O6C25H30 A6B25C30 -196.64 4.7 -9.12 -0.28 0
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221974 85293093 1 N2O4C25H34 A2B4C25D34 -136.76 4.61 -9.41 0.04 0
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221976 85293101 1 ZnC8F14 AB8C14 -644.52 6.79 -12.14 -2.99 0
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221977 85293106 1 NSO4C24H29 ABC4D24E29 -133.19 4.42 -9.13 -0.16 0
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221978 85293117 1 SiO5C23H44 AB5C23D44 -315.57 3.53 -8.78 0.51 1
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221979 85293118 1 NOSiZrC20H39 ABCDE20F39 -42.86 7.79 -7.43 -2.47 0
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221980 85293119 1 ClN4H25C26 AB4C25D26 124.56 4.67 -8.12 -1.12 0
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221981 85293151 1 O6C25H36 A6B25C36 -198.16 3.37 -8.89 0.07 0
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221982 85293153 1 O4C27H44 A4B27C44 -226.4 3.05 -8.85 -0.12 0
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221983 85293154 1 O4C27H44 A4B27C44 -107.93 2.55 -7.66 -0.4 0
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221984 85293157 1 NO3C28H35 AB3C28D35 -111.19 1.61 -9.13 -0.98 0
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221986 85293196 1 SN2O4C24H26 AB2C4D24E26 -80.43 5.11 -8.45 -0.27 0
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221987 85293198 1 O6C25H42 A6B25C42 -319.32 4.59 -9.99 -0.46 0
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221988 85293213 1 SN2F3O4H19C20 AB2C3D4E19F20 -257.66 5.13 -9.42 -1.51 0