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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52023 12014795 1 N2C7H19 A2B7C19 23.45 1.28 0.0 0.0 0
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52024 12014796 1 SN2F3O3C6H15 AB2C3D3E6F15 -260.05 16.1 -10.12 -0.67 1
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52025 12014797 1 N2C5H15 A2B5C15 34.33 2.36 0.0 0.0 0
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52026 12014798 2 NSF3O3C5H9 ABC3D3E5F9 -550.38 11.62 -10.92 -1.49 0
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52027 12014800 2 NSF3O3C7H15 ABC3D3E7F15 -599.28 18.68 -10.03 -0.72 2
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52028 12014801 2 NC6H15 AB6C15 103.03 0.01 -2.12 -0.44 0
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52031 12014805 1 ClSiC15H27 ABC15D27 -87.63 1.49 -8.49 0.23 0
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52032 12014806 1 NPO2C11H16 ABC2D11E16 -129.53 3.71 -8.44 0.41 0
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52033 12014807 1 NPO3C11H18 ABC3D11E18 -179.52 2.94 -8.0 0.61 0
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52034 12014808 1 NPO2C12H18 ABC2D12E18 -134.14 3.98 -8.5 0.43 0
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52035 12014809 1 NP2O5C9H21 AB2C5D9E21 -368.41 1.88 -9.94 0.58 0
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52036 12014810 1 NSP2O4C9H21 ABC2D4E9F21 -334.98 5.4 -8.98 0.3 0
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52037 12014811 1 O2C9H10 A2B9C10 10.92 2.01 -10.78 0.55 0
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52038 12014812 1 O4H16C17 A4B16C17 -41.29 0.94 -9.87 -0.32 0
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52039 12014813 1 NC14H15 AB14C15 130.64 0.35 -9.21 0.36 0
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52040 12014814 1 SiSnO4C26H48 ABC4D26E48 -224.06 1.3 -9.05 0.18 0
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52041 12014815 1 SiSnO2C24H46 ABC2D24E46 -146.42 1.6 -8.96 0.42 0
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52044 12014818 1 NSiSnC29H51 ABCD29E51 -27.49 1.01 -8.53 0.36 0
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52045 12014821 1 O3C14H20 A3B14C20 -133.17 1.43 -8.74 0.22 0
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52046 12014822 1 O3H12C14 A3B12C14 -84.28 2.11 -9.17 -0.75 0
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52047 12014823 2 NOH6C7 ABC6D7 44.01 2.98 -9.49 -1.27 0
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52048 12014824 2 NOH6C7 ABC6D7 45.68 3.66 -9.35 -1.42 0
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52049 12014825 2 NOC5H10 ABC5D10 -105.0 5.5 -8.69 0.92 0
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52050 12014826 1 O2N6H8C9 A2B6C8D9 30.98 5.11 -9.96 -1.04 0
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52051 12014827 1 ClO2N6H7C9 AB2C6D7E9 22.5 5.8 -10.0 -1.21 0
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52052 12014828 1 ClO2N6H7C9 AB2C6D7E9 22.39 3.43 -10.12 -1.25 0
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52053 12014829 1 ClO2N6H7C9 AB2C6D7E9 21.73 3.62 -9.95 -1.34 0
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52054 12014830 1 O4H7N7C9 A4B7C7D9 28.96 2.04 -10.3 -2.0 0
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52055 12014831 1 O4H7N7C9 A4B7C7D9 29.47 2.73 -10.15 -2.2 0
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52056 12014832 1 O3N6C10H10 A3B6C10D10 -9.52 4.92 -9.56 -0.98 0
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52057 12014833 1 O3N6C10H10 A3B6C10D10 -11.6 6.19 -9.7 -0.95 0
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52058 12014834 1 BrO2N6H7C9 AB2C6D7E9 30.39 5.78 -9.83 -1.27 0
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52059 12014836 1 IO2N6H7C9 AB2C6D7E9 48.91 5.08 -9.99 -1.52 0
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52060 12014838 2 ON3C5H5 AB3C5D5 19.96 6.16 -9.86 -0.92 0
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52061 12014841 1 NO6H23C33 AB6C23D33 -50.3 4.73 -9.05 -1.55 0
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52062 12014844 1 ON2C16H22 AB2C16D22 17.36 5.72 -8.04 0.05 0
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52063 12014845 1 ON2C18H24 AB2C18D24 28.39 5.29 -7.92 -0.28 0
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52064 12014847 2 CH3N3O3 AB3C3D3 -94.9 5.61 -11.03 -1.56 0
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52065 12014848 1 FeON3H17C18 ABC3D17E18 92.78 4.21 -8.88 -0.21 0
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52066 12014849 1 ON3C13H13 AB3C13D13 86.44 2.86 -9.75 -0.2 0
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52068 12014851 1 SN2O2C19H20 AB2C2D19E20 44.36 6.26 -9.03 -0.68 0
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52069 12014852 1 PN3C20H20 AB3C20D20 48.45 1.63 -8.19 -0.57 0
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52070 12014853 1 OPN3C20H20 ABC3D20E20 -17.77 5.38 -8.24 -0.97 0
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52071 12014854 1 PSN3C20H20 ABC3D20E20 14.65 6.37 -8.49 -1.06 0
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52072 12014855 1 PN4H25C26 AB4C25D26 69.62 7.36 -7.34 -1.09 0
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52073 12014856 1 PPdCl2N3C20H20 ABC2D3E20F20 138.8 6.16 -7.56 -0.74 0
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52074 12014857 1 PN3C20H20 AB3C20D20 49.89 2.53 -7.98 -0.67 0
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52075 12014858 1 SN2F3O3H15C19 AB2C3D3E15F19 -191.06 4.87 -8.62 -1.59 0
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52076 12014859 2 OC10H10 AB10C10 -20.24 2.03 -9.03 -0.28 0
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52077 12014860 1 SO2C18H18 AB2C18D18 -16.03 0.74 -9.03 -0.41 0
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52078 12014861 3 OC6H6 AB6C6 -52.24 2.27 -9.06 -0.3 0
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52079 12014862 2 OC10H13 AB10C13 -71.52 2.23 -9.16 -0.37 0
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52080 12014863 1 O2C21H22 A2B21C22 -24.23 1.81 -9.29 0.0 0
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52081 12014864 2 N2H10C21 A2B10C21 439.05 5.17 -9.33 -1.36 0
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52082 12014865 2 NOH6C8 ABC6D8 -0.8 8.01 -9.4 -1.23 1
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52083 12014866 1 N2O2H13C16 A2B2C13D16 3.47 7.81 0.0 0.0 0
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52084 12014867 1 AsN7H22C35 AB7C22D35 523.87 14.86 -6.14 -2.06 0
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52085 12014868 1 H3N7C11 A3B7C11 239.77 4.67 -9.22 -2.74 0
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52087 12014870 1 H7N7C18 A7B7C18 292.32 8.13 -9.41 -2.78 0
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52088 12014872 1 N2O3H8C14 A2B3C8D14 47.94 6.85 -9.55 -2.2 0
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52089 12014873 1 N3H13C21 A3B13C21 133.78 1.98 -8.8 -1.34 0
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52090 12014874 2 NH7C11 AB7C11 123.95 2.63 -8.72 -1.26 0
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52091 12014876 1 O3H22C31 A3B22C31 16.75 3.22 -9.44 -1.08 0
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52092 12014877 1 BrO2H19C31 AB2C19D31 54.7 2.12 -9.17 -1.4 0
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52093 12014878 1 Br2O2H18C31 A2B2C18D31 62.57 3.95 -9.24 -1.56 0
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52094 12014879 1 O2Br3H17C31 A2B3C17D31 73.17 4.42 -9.31 -1.72 0
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52095 12014880 1 O3H18C31 A3B18C31 33.85 4.72 -9.27 -1.58 0
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52096 12014881 1 N2O2H28C45 A2B2C28D45 140.58 6.3 -8.6 -1.37 0
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52097 12014882 1 NC13H19 AB13C19 28.92 1.34 -8.7 0.35 0
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52099 12014884 2 NOC10H11 ABC10D11 -12.6 8.74 -8.65 -0.92 0
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52100 12014885 2 TiN2O3C36H56 AB2C3D36E56 -18.8 13.72 -6.88 -2.09 0
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52101 12014886 2 NOC18H27 ABC18D27 -107.65 6.95 -8.11 -0.64 0
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52103 12014888 2 N2O3C14H18 A2B3C14D18 -72.46 4.22 -9.26 -1.96 0
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52104 12014889 2 N2O3C14H18 A2B3C14D18 -71.66 12.31 -9.19 -1.78 0
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52105 12014890 2 TiN3O5C32H47 AB3C5D32E47 -335.99 4.85 -7.2 -1.84 0