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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413864 135086815 1 F3O5C8H11 A3B5C8D11 -354.93 5.63 -10.58 -0.91 0
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413865 135086816 1 ClNC11H14 ABC11D14 33.1 3.49 -9.79 -0.14 0
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413866 135086817 1 OSiC14H28 ABC14D28 -112.54 1.6 -8.62 0.53 0
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413867 135086818 1 SiN2O3C19H28 AB2C3D19E28 -112.86 1.09 -8.9 -0.75 1
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413868 135086819 1 SiN2O3C19H29 AB2C3D19E29 -57.35 2.73 0.0 0.0 0
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413869 135086820 1 O4N5C9H17 A4B5C9D17 -84.61 2.93 -9.71 -0.55 0
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413870 135086821 1 O4N5C10H19 A4B5C10D19 -86.8 6.59 -9.66 -0.37 0
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413871 135086822 1 O4N5C11H21 A4B5C11D21 -91.59 6.82 -9.58 -0.33 0
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413872 135086823 1 ON2H20C22 AB2C20D22 82.82 3.09 -8.13 -0.02 0
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413873 135086824 1 OSC13H14 ABC13D14 57.78 4.48 -8.43 -0.24 0
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413874 135086825 1 NSO3H11C15 ABC3D11E15 -5.07 1.72 -8.64 -0.65 0
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413875 135086826 1 NSO2C17H17 ABC2D17E17 -17.82 2.86 -8.49 -0.3 0
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413876 135086827 1 BrNSO2H14C20 ABCD2E14F20 60.96 4.35 -8.51 -1.25 0
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413877 135086828 1 NSO2H15C17 ABC2D15E17 38.33 4.84 -8.49 -0.24 0
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413878 135086829 1 NSO2H17C18 ABC2D17E18 33.88 6.87 -8.39 -0.63 0
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413879 135086830 1 OC18H22 AB18C22 11.36 4.48 -9.5 -0.57 0
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413880 135086831 2 NOC7H8 ABC7D8 -41.25 3.23 -9.51 0.07 0
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413881 135086832 1 ClNSiC13H22 ABCD13E22 -50.74 3.79 -8.6 0.15 0
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413882 135086833 1 BrF3C13H22 AB3C13D22 -202.59 1.21 -10.0 -0.09 0
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413883 135086834 2 OH6C8 AB6C8 27.73 4.96 -9.73 -1.01 0
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413884 135086835 1 SH6C10 AB6C10 141.29 1.71 -8.65 -0.56 0
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413885 135086836 1 SeBr2O2H12C16 AB2C2D12E16 -18.02 3.02 -9.21 -1.09 0
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413886 135086837 1 O2C15H16 A2B15C16 -21.94 2.18 -9.05 -0.07 0
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413887 135086838 1 NO4C19H25 AB4C19D25 -160.17 4.06 -8.91 0.04 0
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413888 135086839 1 OPH21C22 ABC21D22 13.02 4.37 -9.48 -0.1 0
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413889 135086840 1 NO2C14H19 AB2C14D19 -30.42 3.19 -9.13 -0.03 0
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413890 135086841 1 ON2C14H14 AB2C14D14 27.0 3.03 -9.56 -0.83 0
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413891 135086842 1 ClO3C15H17 AB3C15D17 -113.87 3.67 -10.01 -1.03 0
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413892 135086843 1 Br2N2O4C17H20 A2B2C4D17E20 -144.85 1.81 -9.19 -1.15 0
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413893 135086844 1 OH16C17 AB16C17 9.02 3.57 -9.23 -0.47 0
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413894 135086845 1 OH16C17 AB16C17 8.88 4.08 -9.31 -0.54 0
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413895 135086846 1 BrNO2H14C16 ABC2D14E16 -21.19 3.89 -8.42 -0.53 0
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413896 135086847 1 FNO2H16C17 ABC2D16E17 -72.77 2.19 -9.56 -0.3 0
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413897 135086848 1 NF2O2H13C16 AB2C2D13E16 -110.91 0.58 -9.81 -0.46 0
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413898 135086849 1 PO5C12H17 AB5C12D17 -227.13 1.59 -8.74 -0.4 0
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413899 135086850 1 PO4C15H17 AB4C15D17 -172.37 3.24 -9.04 -0.66 0
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413900 135086851 1 O4H16C17 A4B16C17 -100.74 2.96 -8.98 -0.97 2
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413902 135086853 1 SO3C16H16 AB3C16D16 -76.58 4.1 -9.32 -0.51 1
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413903 135086854 1 N2C9H11 A2B9C11 31.65 0.86 0.0 0.0 1
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413904 135086855 1 BrN2C6H8 AB2C6D8 56.19 6.69 0.0 0.0 0
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413905 135086856 1 SN3O3H17C18 AB3C3D17E18 -32.51 5.45 -8.52 -0.65 0
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413906 135086857 1 BrN2C24H33 AB2C24D33 33.5 2.83 -8.34 -0.28 0
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413907 135086858 1 BrN2C26H27 AB2C26D27 115.11 2.82 -8.33 -0.4 0
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413908 135086859 1 SF3N3O5H20C25 AB3C3D5E20F25 -264.32 4.96 -8.54 -1.51 0
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413909 135086860 1 N2O3C16H16 A2B3C16D16 -77.66 4.93 -8.29 -0.99 0
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413910 135086861 1 N2O3H10C13 A2B3C10D13 -73.01 1.14 -8.63 -1.19 0
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413911 135086862 2 ON2H5C6 AB2C5D6 61.02 3.18 -8.57 -1.6 0
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413912 135086863 1 NSO2C22H23 ABC2D22E23 41.61 5.26 -8.93 -0.59 0
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413913 135086864 1 NOF2C25H25 ABC2D25E25 -42.47 7.61 -8.62 -1.34 0
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413914 135086865 1 SO2N3C17H17 AB2C3D17E17 20.21 8.52 -8.47 -0.95 0
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413915 135086866 1 N3C19H23 A3B19C23 63.57 2.1 -8.07 0.28 0
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413916 135086867 1 N2O3C13H16 A2B3C13D16 -99.96 2.68 -8.31 -0.12 0
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413917 135086868 1 N2O2H18C21 A2B2C18D21 5.08 4.82 -8.83 -0.86 0
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413918 135086869 1 ClN2O3C19H23 AB2C3D19E23 -113.41 2.83 -8.8 -0.25 0
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413919 135086870 1 SN5H19C25 AB5C19D25 178.09 6.2 -8.7 -1.56 0
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413920 135086871 2 NOC7H8 ABC7D8 5.48 2.92 -7.89 -0.14 0
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413921 135086872 1 BrO3C18H21 AB3C18D21 -89.62 1.54 -9.42 -0.28 0
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413922 135086873 1 ON2H20C25 AB2C20D25 92.8 1.95 -8.39 -0.89 0
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413923 135086874 1 ClSO2N4H13C16 ABC2D4E13F16 31.74 3.72 -8.62 -0.92 0
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413924 135086875 1 N2O2F5H15C20 A2B2C5D15E20 -200.08 3.46 -8.3 -1.73 0
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413925 135086876 1 NPO4C8H18 ABC4D8E18 -211.73 2.16 -9.31 0.89 0
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413926 135086877 1 N2O4C15H18 A2B4C15D18 -154.98 2.72 -8.55 -0.45 0
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413927 135086878 1 SN2O5H18C21 AB2C5D18E21 -109.92 4.46 -8.81 -0.89 0
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413928 135086879 1 ON2H24C31 AB2C24D31 122.61 2.37 -8.32 -0.82 0
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413929 135086880 1 NSO2H19C24 ABC2D19E24 96.27 6.84 -8.19 -0.64 0
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413930 135086881 1 SN2O2H16C22 AB2C2D16E22 114.87 6.29 -8.68 -0.74 0
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413931 135086882 1 ON2H26C32 AB2C26D32 105.53 2.66 -8.27 -0.86 0
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413932 135086883 1 ClSO2N4H17C22 ABC2D4E17F22 59.41 5.28 -8.71 -0.89 0
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413933 135086884 1 OSN2C15H18 ABC2D15E18 -3.26 3.31 -8.0 -0.48 0
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413934 135086885 2 NOH13C16 ABC13D16 73.3 2.52 -8.19 -0.83 0
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413935 135086886 1 OCl2C6F8 AB2C6D8 -438.05 0.73 -11.54 -1.93 0
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413936 135086887 1 O2C11H20 A2B11C20 -88.37 3.36 -9.63 0.22 0
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413937 135086888 1 O2C11H18 A2B11C18 -71.8 2.32 -10.5 0.88 0
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413938 135086889 1 ClC12H15 AB12C15 6.53 1.9 -9.44 0.34 0
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413939 135086890 1 ClSN2C6H7 ABC2D6E7 28.29 2.31 -8.79 -0.95 0
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413940 135086891 1 PWO5C9H11 ABC5D9E11 2.07 0.89 -7.15 0.26 0
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413941 135086892 1 OC12H22 AB12C22 -73.65 1.97 -9.45 2.28 0
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413942 135086893 1 NOC15H17 ABC15D17 -15.36 4.76 -9.06 -0.25 0
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413943 135086894 1 OC10H14 AB10C14 -9.69 2.3 -9.47 0.71 0
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413944 135086895 1 ClN2O2H7C8 AB2C2D7E8 -26.19 5.23 -10.65 -2.12 1
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413945 135086896 1 N2O2H7C8 A2B2C7D8 -18.42 2.71 0.0 0.0 0
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413946 135086897 1 BrN2O2H9C11 AB2C2D9E11 11.61 3.38 -9.51 -1.04 1
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413947 135086898 1 BrN2O2H10C11 AB2C2D10E11 20.8 6.06 0.0 0.0 0
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413948 135086899 1 OC14H18 AB14C18 7.22 4.63 -9.56 -0.11 0
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413949 135086900 1 NO4C28H33 AB4C28D33 -131.45 4.83 -9.19 -0.88 0
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413950 135086901 1 OSN2H14C17 ABC2D14E17 41.85 3.07 -8.91 -1.29 0
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413951 135086902 1 ClH13C14 AB13C14 102.23 1.03 -8.95 -0.43 0
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413952 135086903 1 OSiC17H30 ABC17D30 -51.54 1.64 -8.48 0.08 0
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413953 135086904 1 NSiO2C18H29 ABC2D18E29 -121.75 3.34 -8.84 0.07 0
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413954 135086905 1 O3H12C13 A3B12C13 -81.06 4.24 -9.75 -0.56 0
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413955 135086906 1 BrNO2H12C16 ABC2D12E16 -28.76 3.04 -8.9 -1.26 0
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413956 135086908 1 NSiC13H23 ABC13D23 -42.13 1.52 -8.45 0.42 0
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413957 135086909 1 ClOSiC12H19 ABCD12E19 -113.54 4.44 -8.98 0.14 0
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413958 135086910 1 NOC9H11 ABC9D11 -3.99 2.92 -9.64 0.2 0
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413959 135086911 1 NO2C18H23 AB2C18D23 -67.84 2.68 -9.89 -1.34 0
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413960 135086912 1 OF3C18H25 AB3C18D25 -205.04 4.39 -9.32 0.37 0
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413961 135086913 1 ClO2H13C15 AB2C13D15 -45.62 2.74 -9.61 -0.57 0
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413962 135086914 1 IO2C23H33 AB2C23D33 -34.27 9.01 -9.88 -1.93 0
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413963 135086915 1 IO3H17C19 AB3C17D19 54.26 6.2 -8.51 -2.06 0
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413964 135086916 1 BrSC14H17 ABC14D17 44.45 3.23 -8.36 -0.37 0