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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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313787 126617716 1 O3N5H17C19 A3B5C17D19 6.27 2.44 -8.76 -1.68 0
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313788 126617724 1 SN4O4H18C20 AB4C4D18E20 -72.84 12.47 -8.91 -1.15 0
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313789 126617734 1 O3N5H13C17 A3B5C13D17 -4.25 9.64 -8.78 -1.77 0
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313790 126617735 1 SO2N4H10C15 AB2C4D10E15 25.32 7.71 -8.94 -1.25 0
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313791 126617736 1 SO2N3H11C18 AB2C3D11E18 43.45 6.4 -8.51 -1.19 0
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313792 126617790 1 FOSN6H17C22 ABCD6E17F22 47.91 3.83 -9.36 -1.42 0
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313793 126617791 1 O3N6H18C23 A3B6C18D23 45.81 7.66 -9.13 -1.87 0
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313794 126617799 1 SO2N5C19H19 AB2C5D19E19 27.19 8.33 -8.75 -1.1 0
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313795 126617800 1 FO2N6H13C17 AB2C6D13E17 15.65 7.1 -9.15 -1.79 0
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313796 126617801 1 O2N5H13C17 A2B5C13D17 50.59 6.03 -8.99 -1.79 0
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313797 126617807 1 SN3O3H9C11 AB3C3D9E11 -31.65 5.98 -8.99 -1.46 0
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313798 126617810 1 SO2N5H11C15 AB2C5D11E15 45.43 9.02 -8.66 -1.25 0
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313799 126617824 1 FO3N5H16C19 AB3C5D16E19 -42.83 6.56 -8.81 -1.7 0
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313800 126617842 1 N3O5C12H13 A3B5C12D13 -144.37 7.52 -9.0 -1.84 0
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313801 126617861 1 SN14O15C58H92 AB14C15D58E92 -599.75 5.91 -8.64 0.03 1
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313802 126617863 1 N2O2C14H19 A2B2C14D19 -41.33 3.21 0.0 0.0 0
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313803 126617864 2 NOC7H9 ABC7D9 -61.26 3.11 -8.81 -0.95 0
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313804 126617867 1 SO28N36C96H158 AB28C36D96E158 -1034.73 12.24 -9.06 -0.36 0
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313806 126617870 1 MgC6O8H10 AB6C8D10 -376.15 5.18 -6.87 -0.66 0
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313807 126617871 1 SO31N36C103H172 AB31C36D103E172 -1149.71 20.28 -8.94 -1.88 1
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313808 126617875 1 BrN4C20H30 AB4C20D30 72.58 3.38 0.0 0.0 0
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313809 126617876 1 ClNO2F3H9C14 ABC2D3E9F14 -149.25 4.4 -9.42 -0.96 0
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313811 126617936 1 FO3N5H28C33 AB3C5D28E33 -43.61 10.08 -8.4 -0.83 0
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313812 126617959 1 O6C25H48 A6B25C48 -366.41 6.37 -10.51 0.49 0
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313813 126617984 1 ClF4N4O5C28H29 AB4C4D5E28F29 -384.97 2.16 -10.0 -1.29 0
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313814 126617986 1 ClFO3N4H22C25 ABC3D4E22F25 -97.4 12.46 -8.57 -0.9 0
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313815 126618016 1 Cl2F3O4N8H29C32 A2B3C4D8E29F32 -168.61 3.15 -9.55 -1.36 0
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313816 126618017 2 NOC11H12 ABC11D12 -54.63 3.0 -9.08 -0.52 0
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313817 126618040 1 ClO4F6N9H26C31 AB4C6D9E26F31 -296.02 4.13 -9.12 -1.7 0
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313818 126618043 1 ClF4N5O5H30C31 AB4C5D5E30F31 -328.74 12.69 -9.58 -1.16 0
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313819 126618064 1 ION2H7C11 ABC2D7E11 50.12 3.41 -8.76 -1.02 0
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313820 126618065 1 ION3H8C11 ABC3D8E11 46.59 2.5 -8.31 -0.73 0
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313821 126618112 1 SO16N18C61H98 AB16C18D61E98 -698.45 7.51 -8.92 -0.35 0
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313822 126618113 1 BrClPN3O9C21H26 ABCD3E9F21G26 -430.84 5.25 -9.76 -1.53 0
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313823 126618115 1 BrFN2O5C9H10 ABC2D5E9F10 -243.46 4.56 -10.25 -1.56 0
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313824 126618119 1 BrClPN3O9C21H26 ABCD3E9F21G26 -442.54 5.06 -9.72 -1.2 0
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313825 126618121 1 BrClPN3O9C22H22 ABCD3E9F22G22 -396.87 7.03 -9.41 -1.32 0
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313826 126618135 1 BrClPN3O10C23H30 ABCD3E10F23G30 -474.95 8.86 -9.52 -1.08 0
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313827 126618157 1 BrClPN3O10C22H28 ABCD3E10F22G28 -458.98 5.65 -9.75 -1.54 0
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313828 126618168 1 BrFPN3O9C21H26 ABCD3E9F21G26 -478.32 10.05 -9.68 -1.09 0
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313829 126618169 1 BrClO10H26C29 ABC10D26E29 -352.25 0.72 -9.32 -1.14 0
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313830 126618184 1 ClSN2O4H15C17 ABC2D4E15F17 -99.68 3.18 -9.06 -1.12 0
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313831 126618190 1 SN2O6C28H34 AB2C6D28E34 -219.5 2.63 -8.9 -0.87 -1
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313832 126618195 1 SN3O6C20H20 AB3C6D20E20 -62.06 8.3 0.0 0.0 0
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313833 126618197 1 ClSN3O4H14C16 ABC3D4E14F16 -61.61 3.0 -9.13 -1.22 0
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313834 126618198 1 SN3O4H17C20 AB3C4D17E20 -36.25 5.05 -8.98 -1.2 0
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313835 126618199 1 SN3O5H15C17 AB3C5D15E17 -76.89 5.95 -9.42 -1.09 0
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313836 126618201 1 SN4O4H12C15 AB4C4D12E15 -18.48 2.54 -9.64 -1.37 0
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313837 126618202 1 O7C15H34 A7B15C34 -333.22 5.45 -9.76 1.48 0
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313838 126618203 1 SN2O6H22C23 AB2C6D22E23 -164.39 3.7 -9.54 -1.49 0