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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138763 52422551 1 O2N6C15H20 A2B6C15D20 46.28 1.47 -8.43 -0.73 0
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138764 52422552 1 OSN5C16H21 ABC5D16E21 45.59 3.23 -8.14 -0.88 0
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138765 52422962 1 SN2O4C14H20 AB2C4D14E20 -162.27 4.93 -9.26 -1.0 0
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138766 52423253 1 ClFN2O2C18H20 ABC2D2E18F20 -91.92 0.86 -8.88 -0.82 0
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138767 52423297 1 O4N5C18H25 A4B5C18D25 -44.05 5.85 -9.08 -0.83 1
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138768 52423312 1 SO2N4C18H31 AB2C4D18E31 -79.38 2.88 0.0 0.0 0
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138769 52423313 1 SO2N4C18H30 AB2C4D18E30 -79.02 5.72 -8.88 0.0 1
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138770 52423314 1 SO2N4C18H31 AB2C4D18E31 -80.1 2.77 0.0 0.0 0
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138771 52424020 1 SO3N4C21H24 AB3C4D21E24 -59.64 5.67 -9.33 -1.07 0
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138772 52424021 1 SO3N4C21H24 AB3C4D21E24 -59.5 9.44 -9.37 -1.14 0
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138773 52424326 1 O2S2N3H21C23 A2B2C3D21E23 31.77 5.96 -8.94 -0.88 0
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138774 52424542 1 N2O2S3C22H26 A2B2C3D22E26 -19.85 4.56 -8.8 -1.09 0
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138775 52424626 1 SO3N4C24H28 AB3C4D24E28 -70.02 5.93 -9.19 -1.07 0
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138776 52424937 1 SN4O4C24H24 AB4C4D24E24 -56.21 9.51 -9.33 -1.35 0
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138777 52424938 1 SN4O4C24H24 AB4C4D24E24 -55.55 8.53 -9.32 -1.35 0
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138778 52424939 1 SN4O4C24H24 AB4C4D24E24 -56.27 9.46 -9.33 -1.35 0
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138779 52425135 1 SN4O4C24H30 AB4C4D24E30 -108.84 5.16 -9.03 -1.01 0
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138780 52425136 1 SN4O4C24H30 AB4C4D24E30 -108.56 8.13 -9.05 -1.04 0
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138781 52425137 1 SN4O4C24H30 AB4C4D24E30 -98.65 9.67 -9.3 -1.26 0
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138782 52425244 1 SO3N4C26H26 AB3C4D26E26 -33.24 8.55 -8.77 -1.19 0
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138783 52425245 1 SO3N4C26H26 AB3C4D26E26 -33.45 8.89 -8.89 -1.21 0
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138784 52425246 1 SO3N4C26H26 AB3C4D26E26 -34.05 6.98 -8.91 -1.23 0
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138785 52425247 1 SO3N4C26H26 AB3C4D26E26 -33.97 8.06 -8.79 -1.19 0
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138786 52425248 1 SO3N4C26H26 AB3C4D26E26 -34.48 6.59 -8.82 -1.21 0
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138787 52425249 1 SO3N4C26H26 AB3C4D26E26 -31.01 9.33 -9.28 -1.17 0