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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379769 134464837 1 NH35C49 AB35C49 179.18 1.59 -7.95 -0.72 0
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379770 134464838 1 NH35C44 AB35C44 136.11 1.01 -7.9 -0.66 0
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379771 134464840 1 NH43C56 AB43C56 181.13 1.11 -7.88 -0.55 0
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379772 134464841 1 NH39C55 AB39C55 199.84 1.29 -7.93 -0.64 0
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379773 134464844 1 NH39C50 AB39C50 160.42 1.42 -8.02 -0.7 0
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379774 134464845 1 NH41C54 AB41C54 175.12 0.92 -7.97 -0.7 0
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379775 134464846 1 NH37C51 AB37C51 186.28 1.14 -7.98 -0.55 0
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379776 134464848 1 NH39C55 AB39C55 201.6 1.66 -8.0 -0.66 0
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379777 134464849 1 NH39C55 AB39C55 201.32 1.33 -7.94 -0.65 0
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379778 134464850 1 NOH37C53 ABC37D53 169.35 2.75 -8.03 -0.73 0
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379779 134464853 1 NH33C45 AB33C45 165.87 0.68 -8.05 -0.65 0
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379780 134464858 1 NSH33C47 ABC33D47 174.6 0.75 -8.04 -0.76 0
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379781 134464861 1 NOH37C53 ABC37D53 170.24 0.78 -8.0 -0.66 0
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379782 134464864 1 NH35C49 AB35C49 179.34 0.65 -7.96 -0.68 0
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379783 134464868 1 NSO2H37C53 ABC2D37E53 125.68 4.81 -7.95 -1.11 0
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379784 134464870 1 NSH37C53 ABC37D53 197.76 2.28 -8.01 -0.69 0
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379785 134464881 1 NH39C50 AB39C50 161.48 1.08 -8.06 -0.71 0
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379786 134464882 1 NSH37C53 ABC37D53 198.61 2.43 -8.09 -0.7 0
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379787 134464886 1 NH37C48 AB37C48 159.61 2.22 -7.9 -0.53 0
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379788 134464887 2 NH17C24 AB17C24 200.4 5.45 -8.1 -0.78 0
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379789 134464893 1 N2H38C53 A2B38C53 206.06 0.95 -7.93 -0.63 0
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379790 134464897 1 NH37C51 AB37C51 185.36 1.17 -7.99 -0.61 0
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379791 134464899 1 NSH37C53 ABC37D53 196.93 2.53 -7.96 -0.64 0
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379792 134464903 1 ClSO3N4C21H23 ABC3D4E21F23 -45.78 7.57 -8.63 -0.88 0
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379793 134464904 1 F2N8H20C21 A2B8C20D21 49.93 2.88 -8.58 -0.83 0
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379794 134464914 1 SO3N4C12H16 AB3C4D12E16 -15.63 4.0 -9.23 -0.84 0
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379795 134464916 1 OSN3C10H17 ABC3D10E17 -16.87 2.47 -8.9 -0.42 0
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379796 134464920 1 S2N3O6C10H13 A2B3C6D10E13 -184.43 6.94 -9.19 -1.31 0
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379797 134464923 1 SO2N3C11H15 AB2C3D11E15 -63.06 1.75 -9.09 -0.68 0
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379798 134464926 2 SN2O3C5H7 AB2C3D5E7 -176.57 5.87 -9.16 -1.39 0
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379799 134464927 1 S2N5O6C11H11 A2B5C6D11E11 -141.81 7.29 -9.4 -1.33 0
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379800 134464934 2 NOC11H13 ABC11D13 -72.97 3.31 -8.27 -0.64 0
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379801 134464936 1 N2O3C21H24 A2B3C21D24 -115.67 2.69 -8.48 -0.76 0
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379802 134464937 1 NO2C19H21 AB2C19D21 -54.54 4.21 -9.21 -0.74 0
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379803 134464939 1 FNO5H18C23 ABC5D18E23 -164.44 4.25 -8.72 -1.41 0
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379804 134464941 2 SN2O3H21C23 AB2C3D21E23 -40.36 2.73 -7.76 -1.66 1
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379805 134464944 1 N4O4C56H59 A4B4C56D59 -21.05 4.94 0.0 0.0 0
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379806 134464947 1 S2F3N4O6H39C46 A2B3C4D6E39F46 -186.03 9.15 -7.68 -1.93 1
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379807 134464953 1 N2S2O8H33C36 A2B2C8D33E36 -175.59 4.1 0.0 0.0 1
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379808 134464954 1 N2S2H29C35 A2B2C29D35 139.93 6.87 0.0 0.0 0
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379809 134464961 1 OF2C23H26 AB2C23D26 -82.51 2.06 -8.54 -0.7 0
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379810 134464963 1 OF3H11C15 AB3C11D15 -146.32 2.79 -8.88 -0.46 0
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379811 134464965 1 O2F3C19H19 A2B3C19D19 -140.73 1.49 -8.54 -0.88 0
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379812 134464967 1 O2F3C24H27 A2B3C24D27 -158.7 4.55 -8.53 -0.94 0
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379813 134464969 1 BrOF2C16H21 ABC2D16E21 -141.58 3.81 -9.44 -0.59 0
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379814 134464971 1 O2F3C26H31 A2B3C26D31 -167.59 4.77 -8.53 -0.94 0
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379815 134464972 1 F3H15C17 A3B15C17 -69.53 3.93 -8.89 -0.96 0
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379816 134464977 1 F3H15C17 A3B15C17 -70.39 3.9 -8.88 -0.97 0
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379817 134464980 1 OF3C19H19 AB3C19D19 -111.35 5.35 -8.71 -0.92 0
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379818 134464982 1 SO3N4C14H18 AB3C4D14E18 -59.54 3.83 -9.14 -0.77 0