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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16791 476855 1 O4C19H24 A4B19C24 -151.39 1.68 -8.52 0.04 0
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16792 476876 1 N5O7C24H25 A5B7C24D25 -182.61 5.01 -9.08 -0.76 0
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16793 476877 2 N2O3C12H12 A2B3C12D12 -150.59 13.37 -8.99 -0.7 0
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16794 476882 1 N3O3C19H19 A3B3C19D19 31.36 6.9 -9.41 -1.06 0
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16795 476906 2 O2C15H22 A2B15C22 -167.0 7.56 -9.23 0.57 0
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16796 476990 1 PS4N5O9C18H30 AB4C5D9E18F30 -400.27 7.44 -9.12 -1.33 0
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16797 477027 1 O6C25H38 A6B25C38 -287.83 2.72 -10.23 -0.16 0
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16798 477030 1 NO8C34H43 AB8C34D43 -273.23 5.04 -9.72 -0.6 0
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16799 477031 1 NO8C34H43 AB8C34D43 -267.74 8.67 -9.85 -0.79 0
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16800 477062 1 NSO4C29H39 ABC4D29E39 -175.98 6.52 -7.98 -0.09 0
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16801 477063 1 SO3C27H34 AB3C27D34 -121.7 6.91 -8.02 -0.21 0
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16802 477064 1 SO4C28H36 AB4C28D36 -168.65 6.48 -8.16 -0.27 0
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16803 477066 1 SO5C29H38 AB5C29D38 -206.83 6.15 -7.91 -0.22 0
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16804 477068 1 PS2N5O9C28H30 AB2C5D9E28F30 -314.53 10.89 -9.12 -1.31 0
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16805 477069 1 PN5O11C22H34 AB5C11D22E34 -508.84 7.53 -9.54 -0.53 0
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16806 477070 1 O5C22H26 A5B22C26 -190.09 11.75 -8.96 -1.0 0
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16807 477071 1 O5C22H30 A5B22C30 -228.05 10.69 -8.68 -0.83 0
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16808 477072 1 P2N10O13C20H26 A2B10C13D20E26 -541.7 1.94 -9.82 -1.08 0
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16809 477074 1 BrPN6O9C27H32 ABC6D9E27F32 -332.8 2.28 -9.62 -1.17 0
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16810 477075 1 BrPN6O9C23H30 ABC6D9E23F30 -319.05 6.19 -8.39 -1.73 0
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16811 477076 1 BrPSN6O9C23H32 ABCD6E9F23G32 -366.13 11.16 -9.15 -0.97 0
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16812 477077 1 BrPN7O9C29H33 ABC7D9E29F33 -220.0 4.71 -8.77 -1.46 0
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16813 477078 1 PBr2N6O9C27H31 AB2C6D9E27F31 -331.56 4.57 -9.5 -1.39 0
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16814 477079 1 PBr2N6O9C23H29 AB2C6D9E23F29 -348.68 5.61 -9.66 -1.14 0
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16815 477080 1 PBr2N6O9C24H33 AB2C6D9E24F33 -381.85 5.93 -9.45 -1.56 0