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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27823 823741 1 O2S2N3C16H17 A2B2C3D16E17 -33.98 3.87 -8.62 -1.02 0
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27824 823742 1 OSN2C13H18 ABC2D13E18 -39.1 2.63 -8.65 -0.56 0
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27825 823745 1 SN2O2C12H16 AB2C2D12E16 -63.3 3.9 -8.56 -0.52 0
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27826 823748 1 OSCl2N2C11H12 ABC2D2E11F12 -40.12 5.53 -9.01 -1.04 0
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27827 823753 1 SO2N4H16C17 AB2C4D16E17 3.19 4.33 -8.89 -1.32 0
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27828 823769 1 OSCl2N2C10H10 ABC2D2E10F10 -34.41 5.81 -9.02 -1.01 0
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27829 823770 1 ClOSN2C10H11 ABCD2E10F11 -28.89 4.89 -8.92 -0.86 0
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27830 823773 1 ClNO3H14C17 ABC3D14E17 -77.16 4.23 -9.09 -0.72 0
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27831 823778 1 OSN2F3C11H11 ABC2D3E11F11 -179.73 3.27 -8.98 -0.89 0
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27832 823782 1 SN2O2C12H14 AB2C2D12E14 -61.71 5.98 -9.0 -0.92 0
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27833 823783 1 NSO3H13C15 ABC3D13E15 -59.24 3.92 -8.82 -1.08 0
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27834 823785 1 OSN2C14H14 ABC2D14E14 -1.78 3.33 -8.64 -0.82 0
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27835 823805 1 ClOSN3C11H14 ABCD3E11F14 -27.74 3.77 -9.07 -1.21 0
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27836 823808 1 FN2O2C15H17 AB2C2D15E17 -101.17 1.01 -8.88 -0.86 0
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27837 823810 2 NO2C7H7 AB2C7D7 -115.38 7.48 -9.3 -0.55 0
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27838 823829 1 OSCl2N2C12H14 ABC2D2E12F14 -45.57 3.75 -8.96 -0.91 0
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27839 823830 1 O6H10C13 A6B10C13 -186.93 6.04 -10.19 -1.19 0
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27840 823832 1 ClOSN2C12H15 ABCD2E12F15 -41.2 5.12 -8.9 -0.8 0
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27841 823839 1 ClOSN2F3C13H14 ABCD2E3F13G14 -200.81 5.71 -9.08 -1.16 0
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27842 823841 1 FOSN2C12H15 ABCD2E12F15 -78.86 5.07 -8.86 -0.76 0
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27843 823844 1 NO3H11C16 AB3C11D16 -54.84 4.05 -9.28 -0.88 0
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27844 823845 1 OSN3C14H21 ABC3D14E21 -31.58 3.44 -8.11 -0.39 0
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27845 823847 1 OSN2C16H18 ABC2D16E18 -13.97 3.64 -8.62 -0.84 0
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27846 823848 1 SN2O3C14H18 AB2C3D14E18 -116.39 5.05 -9.01 -1.08 0
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27847 823851 1 SN2O2H14C18 AB2C2D14E18 -5.09 2.96 -8.65 -1.07 0
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27848 823866 1 NSO4H9C15 ABC4D9E15 -7.5 8.37 -9.89 -2.03 0
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27849 823870 1 OSN3C16H19 ABC3D16E19 -14.17 4.44 -8.38 -0.66 0
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27850 823885 1 OSN2F3H13C16 ABC2D3E13F16 -150.53 3.64 -8.96 -1.03 0
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27851 823921 1 N2O2C17H22 A2B2C17D22 -75.54 5.23 -8.48 -0.51 0
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27852 823922 1 ClN2O2H13C16 AB2C2D13E16 -33.49 8.61 -9.65 -1.01 0
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27853 823925 1 N2O2H16C21 A2B2C16D21 16.05 4.74 -8.72 -0.9 0
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27854 823926 1 SN2O4C17H18 AB2C4D17E18 -109.44 3.82 -8.79 -0.9 0
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27855 823927 1 OSN2C17H18 ABC2D17E18 -11.06 3.06 -8.66 -0.83 0
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27856 823928 1 ON2C19H26 AB2C19D26 -50.16 3.63 -8.31 -0.35 0
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27857 823929 1 ClNO2H14C15 ABC2D14E15 -49.06 7.29 -9.06 -0.64 0
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27858 823930 1 FNO2H14C15 ABC2D14E15 -83.9 4.08 -8.96 -0.55 0
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27859 823931 1 ClN2O2H11C16 AB2C2D11E16 2.47 6.88 -9.75 -1.07 0
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27860 823932 1 ON2C19H26 AB2C19D26 -50.04 3.34 -8.3 -0.36 0
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27861 823934 1 BrINH5C6 ABCD5E6 39.95 3.26 -8.75 -1.02 0
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27862 823936 1 NO2Cl3H12C15 AB2C3D12E15 -61.5 2.01 -8.81 -1.05 0
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27863 823937 1 NO2C21H27 AB2C21D27 -70.23 4.46 -8.73 -0.02 0
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27864 823938 1 NO2C21H27 AB2C21D27 -70.37 4.21 -8.74 0.01 0
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27865 823940 1 ON2C16H18 AB2C16D18 -2.31 5.25 -8.83 -0.87 0
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27866 823941 1 ON2C16H18 AB2C16D18 -2.11 5.28 -8.84 -0.88 0
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27867 823942 1 OSN2C13H18 ABC2D13E18 -39.15 3.45 -8.69 -0.62 0
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27868 823945 1 OSN2C16H24 ABC2D16E24 -53.9 3.69 -8.7 -0.46 0
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27869 823947 1 OSN2C15H22 ABC2D15E22 -46.89 3.8 -8.67 -0.52 0
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27870 823950 1 ON2C14H16 AB2C14D16 41.73 4.62 -8.41 -0.73 0
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27871 823951 1 ON2S2C16H18 AB2C2D16E18 4.39 3.87 -8.7 -1.23 0
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27872 823962 1 SO2N3C17H17 AB2C3D17E17 -40.81 2.49 -8.6 -0.63 0
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27873 823973 1 N2O5H10C13 A2B5C10D13 -55.38 2.89 -9.53 -2.13 0
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27874 823975 1 ClOSN3H12C16 ABCD3E12F16 35.73 4.47 -8.8 -1.04 0
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27875 823997 2 ON2C5H7 AB2C5D7 -61.91 7.67 -9.18 -0.25 0
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27876 824000 2 ON2C5H7 AB2C5D7 -64.97 7.96 -9.15 -0.26 0
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27877 824003 1 SN2O4C17H20 AB2C4D17E20 -121.23 6.08 -8.84 -1.71 0
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27878 824011 1 SO2C6H14 AB2C6D14 -112.15 5.36 -10.63 0.99 0
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27879 824013 1 FN2O2H15C17 AB2C2D15E17 -82.96 4.76 -8.77 -0.49 0
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27880 824014 1 FN2O2H15C17 AB2C2D15E17 -83.35 4.28 -8.74 -0.56 0
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27881 824016 1 NO6H13C16 AB6C13D16 -203.6 8.95 -9.27 -1.36 0
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27882 824017 1 FN2O2C19H19 AB2C2D19E19 -92.78 4.35 -8.77 -0.58 0
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27883 824018 1 ClN2O2C19H19 AB2C2D19E19 -57.55 4.83 -8.78 -0.41 0
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27884 824020 1 N2O2C17H24 A2B2C17D24 -89.29 2.92 -8.9 -0.19 0
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27885 824024 1 N2O2C17H24 A2B2C17D24 -93.49 1.73 -8.9 -0.01 0
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27886 824031 1 N2O2C21H26 A2B2C21D26 -52.89 2.21 -8.63 -0.02 0
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27887 824033 1 ClN4H9C12 AB4C9D12 97.87 4.69 -9.77 -1.38 0
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27888 824038 1 ClF2N3H12C15 AB2C3D12E15 -24.53 2.22 -8.75 -1.45 0
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27889 824039 2 N2H9C11 A2B9C11 111.76 2.06 -8.62 -0.8 0
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27890 824040 2 NO2H8C10 AB2C8D10 -100.44 3.72 -9.01 -1.11 0
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27891 824044 1 SN3O3C14H21 AB3C3D14E21 -110.9 3.01 -8.39 0.12 0
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27892 824045 1 SN3O3C15H23 AB3C3D15E23 -116.8 3.48 -8.38 0.11 0
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27893 824046 1 SN3O3C16H25 AB3C3D16E25 -123.16 4.24 -8.26 0.14 0
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27894 824049 1 SN3O4C16H19 AB3C4D16E19 -100.73 2.76 -8.34 -0.64 0
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27895 824050 1 BrO2N5C10H10 AB2C5D10E10 35.56 8.2 -9.38 -0.96 0
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27896 824060 1 OF3N3H8C12 AB3C3D8E12 -117.95 9.65 -9.07 -1.45 0
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27897 824065 1 ClN2O4C10H11 AB2C4D10E11 -119.68 5.02 -9.3 -0.87 0
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27898 824067 3 NC4H5 AB4C5 52.5 2.99 -8.66 -0.16 0
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27899 824072 1 ON3C21H25 AB3C21D25 -9.05 7.09 -8.99 -0.7 0
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27900 824079 1 ClOSN2H9C14 ABCD2E9F14 29.63 6.28 -9.03 -1.51 0
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27901 824082 1 N2O5H14C17 A2B5C14D17 -68.44 3.74 -9.32 -1.27 0
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27902 824083 1 N2O3C18H24 A2B3C18D24 -76.48 5.16 -8.57 0.01 0
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27903 824086 1 ClN2O2H11C12 AB2C2D11E12 -12.03 6.01 -9.64 -0.48 0
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27904 824093 1 O2N3H13C17 A2B3C13D17 27.02 5.07 -9.03 -1.05 0
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27905 824097 1 N2O3H10C11 A2B3C10D11 -14.0 5.76 -9.36 -1.04 0
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27906 824099 1 OS2N3C17H17 AB2C3D17E17 19.27 3.11 -8.75 -1.14 0
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27907 824100 1 O2N4H8C9 A2B4C8D9 48.15 9.88 -9.83 -1.54 0
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27908 824105 1 SCl2N2O2H8C10 AB2C2D2E8F10 -33.72 5.32 -8.88 -1.35 0
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27909 824113 1 ON2C17H20 AB2C17D20 -28.02 3.57 -9.28 -0.79 0
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27910 824114 1 NCl2O2H7C14 AB2C2D7E14 -31.21 4.17 -9.36 -1.6 0
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27911 824125 1 N2O4C17H20 A2B4C17D20 -34.21 2.84 -10.31 -1.64 0
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27912 824126 2 NOH9C11 ABC9D11 23.45 2.18 -8.62 -0.68 1
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27913 824127 1 BrNC15H15 ABC15D15 58.31 5.97 0.0 0.0 1
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27914 824132 1 BrNC16H17 ABC16D17 51.58 6.37 0.0 0.0 1
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27915 824134 1 NO2C16H18 AB2C16D18 -16.75 3.01 0.0 0.0 0
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27916 824144 1 N2O5C17H18 A2B5C17D18 -130.93 5.96 -8.56 -0.53 0
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27917 824145 2 NO2C8H8 AB2C8D8 -51.22 5.29 -8.55 -1.65 0
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27918 824148 1 SN3O3H9C13 AB3C3D9E13 -33.74 3.41 -8.96 -2.51 0
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27919 824154 1 ClN2O4C17H17 AB2C4D17E17 -75.2 7.55 -8.01 -0.67 0
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27920 824156 1 O2C13H16 A2B13C16 -83.26 4.58 -9.48 0.25 0
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27921 824160 1 NSO3C14H17 ABC3D14E17 -123.05 3.29 -9.26 -0.51 0
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27922 824161 1 F3O3N4H13C14 A3B3C4D13E14 -161.49 4.92 -9.72 -1.06 0