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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165892 74610381 1 O2N5C23H42 A2B5C23D42 -51.3 5.62 0.0 0.0 1
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165893 74610382 1 O2N3C23H36 A2B3C23D36 -82.04 7.52 0.0 0.0 0
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165894 74610383 1 ON3C19H35 AB3C19D35 -78.92 3.91 -8.55 1.1 1
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165895 74610384 1 O2N5C18H28 A2B5C18D28 51.87 5.18 0.0 0.0 0
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165896 74610385 1 O2N5C18H27 A2B5C18D27 12.67 4.32 -8.79 -0.44 1
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165897 74610460 1 SN3O3C25H34 AB3C3D25E34 -53.75 4.61 0.0 0.0 0
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165898 74610826 1 SN3O3C21H25 AB3C3D21E25 -85.81 4.82 -8.95 -0.19 0
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165899 74610856 1 FSN4O4C21H29 ABC4D4E21F29 -225.09 4.02 -8.94 -0.24 0
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165900 74610857 1 FSO2N3C18H24 ABC2D3E18F24 -130.76 6.3 -8.86 -0.19 0
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165901 74610983 1 FSN3O3C21H24 ABC3D3E21F24 -134.83 3.03 -8.75 -0.19 0
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165902 74610984 1 FO2S2N3C20H22 AB2C2D3E20F22 -92.76 6.64 -8.31 -0.54 0
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165903 74611594 2 NO2C11H12 AB2C11D12 -109.35 8.3 -8.7 -0.68 0
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165904 74611755 1 FO2N3C21H30 AB2C3D21E30 -137.48 4.18 -8.76 -0.11 0
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165905 74612427 1 SO2N3C21H23 AB2C3D21E23 5.23 5.71 -8.74 -0.1 0
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165906 74612428 1 N4O5C23H28 A4B5C23D28 -146.96 4.13 -8.93 -0.18 1
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165907 74612429 1 SO3N6C21H23 AB3C6D21E23 21.49 3.9 0.0 0.0 0
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165908 74612430 1 SO3N6C21H22 AB3C6D21E22 48.87 4.59 -8.9 -1.66 1
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165909 74612472 1 ClSN3O3C21H23 ABC3D3E21F23 -39.51 3.8 0.0 0.0 0
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165910 74612958 1 SN3O4C22H23 AB3C4D22E23 -104.47 9.23 -8.6 -0.67 1
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165911 74613107 1 IN2O2C20H24 AB2C2D20E24 -15.32 14.3 0.0 0.0 1
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165912 74613108 1 Cl2N2O2C20H23 A2B2C2D20E23 -45.57 5.02 0.0 0.0 1
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165913 74613207 1 N4O4C11H21 A4B4C11D21 -174.76 3.89 0.0 0.0 1
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165914 74613331 1 F2N2O3C23H27 A2B2C3D23E27 -165.92 4.98 0.0 0.0 0
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165915 74614490 1 SF2N4O4C23H24 AB2C4D4E23F24 -206.11 2.08 -8.46 -1.12 0
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165916 74614491 1 F2S2N3O5C19H21 A2B2C3D5E19F21 -239.54 3.98 -9.16 -1.05 0