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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139063 52467510 1 BrSO2N3H6C8 ABC2D3E6F8 53.66 7.06 -9.84 -1.6 0
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139064 52467511 1 SO2N3C14H17 AB2C3D14E17 16.07 9.29 -9.45 -1.04 0
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139065 52467512 1 O2N3C10H13 A2B3C10D13 5.37 1.84 -9.7 -0.69 0
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139066 52467513 1 O2N3C10H13 A2B3C10D13 9.08 7.94 -9.65 -0.33 0
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139067 52467514 1 ON2C15H18 AB2C15D18 -20.68 1.6 -8.87 -0.65 0
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139068 52467515 1 ON2C15H18 AB2C15D18 -18.1 3.86 -9.02 -0.85 0
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139069 52467516 1 SN3O7C15H19 AB3C7D15E19 -123.92 3.36 -10.42 -2.5 0
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139070 52467517 1 SN3O7C15H19 AB3C7D15E19 -124.14 5.22 -10.58 -2.48 0
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139071 52467849 1 SN2O4C24H26 AB2C4D24E26 -111.33 6.0 -8.7 -0.4 0
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139072 52468392 1 O2N3C17H19 A2B3C17D19 -16.34 6.87 -8.63 -0.38 0
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139073 52469243 1 ClN2O3C19H23 AB2C3D19E23 -118.07 4.0 -9.3 -0.27 0
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139074 52469351 1 SO3N5C17H23 AB3C5D17E23 -74.92 9.91 -9.06 -0.64 0
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139075 52469352 1 SO3N5C17H23 AB3C5D17E23 -75.71 5.26 -9.21 -0.73 0
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139076 52469353 1 SN3O5C18H23 AB3C5D18E23 -170.09 6.26 -9.59 -0.92 0
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139077 52469354 1 SN3O5C18H23 AB3C5D18E23 -168.65 5.75 -9.51 -0.75 0
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139078 52469355 2 NO2C9H10 AB2C9D10 -126.67 4.52 -9.51 -0.79 0
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139079 52469356 1 F3N3O3C17H20 A3B3C3D17E20 -285.33 5.83 -9.16 -0.51 0
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139080 52469357 1 F3N3O3C17H20 A3B3C3D17E20 -286.31 3.01 -9.26 -0.61 0
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139081 52469358 1 F3N3O3C17H20 A3B3C3D17E20 -285.39 6.29 -9.13 -0.5 0
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139082 52469359 1 F3N3O3C17H20 A3B3C3D17E20 -285.53 5.39 -9.18 -0.53 0
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139083 52469680 1 O2N5C25H37 A2B5C25D37 -67.48 9.46 -8.29 0.33 0
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139084 52469744 1 ClN2O2H23C24 AB2C2D23E24 -5.81 3.57 -8.23 -0.23 -1
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139085 52470260 1 S3N4O4C15H17 A3B4C4D15E17 -84.36 3.53 0.0 0.0 0
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139086 52470261 1 O2N3C20H21 A2B3C20D21 -26.18 4.43 -9.67 -0.8 -1
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139087 52470262 1 S3N4O4C15H17 A3B4C4D15E17 -90.75 8.51 0.0 0.0 1