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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30823 841973 1 NOSC19H19 ABCD19E19 -2.08 3.26 -8.84 -0.71 0
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30824 841974 1 O3N4H8C10 A3B4C8D10 4.71 7.33 -10.66 -1.2 0
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30825 841975 1 NO3H15C18 AB3C15D18 -47.73 2.64 -8.96 -1.24 0
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30826 841976 1 ON2Cl3H5C10 AB2C3D5E10 16.36 6.61 -9.56 -1.2 0
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30827 841977 1 ClO3N4C13H13 AB3C4D13E13 5.86 8.22 -9.49 -1.13 0
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30828 841978 1 NCl4H5C9 AB4C5D9 31.56 2.44 -9.56 -1.21 0
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30829 841980 1 SN3O3C13H17 AB3C3D13E17 -74.1 5.29 -9.41 -0.79 0
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30830 841981 1 SN3O3C13H17 AB3C3D13E17 -84.91 6.05 -9.78 -1.08 0
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30831 841982 1 SN3O3C13H17 AB3C3D13E17 -73.6 4.31 -9.83 -1.09 0
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30832 841984 1 ON6C15H18 AB6C15D18 62.52 5.27 -8.96 -0.07 0
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30833 841985 1 N3O3C7H9 A3B3C7D9 -99.12 4.58 -10.31 -0.88 0
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30834 841986 1 ON6C15H18 AB6C15D18 62.44 3.55 -8.95 -0.06 0
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30835 841988 1 O3N4C17H18 A3B4C17D18 -12.26 4.91 -8.7 -0.08 0
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30836 841989 1 SO2N3C7H9 AB2C3D7E9 -40.76 4.47 -9.37 -1.23 0
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30837 841990 1 SO2N3C7H9 AB2C3D7E9 -39.36 3.86 -9.32 -1.22 0
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30838 841991 1 O3N4C17H18 A3B4C17D18 -14.82 4.62 -8.78 -0.15 0
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30839 841992 1 OS2N3C17H17 AB2C3D17E17 41.25 6.55 -9.2 -1.1 0
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30840 841993 1 ON6C14H16 AB6C14D16 69.38 3.79 -8.95 -0.06 0
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30841 841995 1 OSCl2N3H11C14 ABC2D3E11F14 26.74 2.96 -8.87 -1.32 0
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30842 841996 1 SN3O3C14H15 AB3C3D14E15 -15.72 9.63 -9.07 -0.9 0
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30843 841998 1 OSCl2N2H10C15 ABC2D2E10F15 8.54 1.64 -9.06 -1.53 0
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30844 841999 1 OSCl2N2H10C15 ABC2D2E10F15 13.54 1.75 -9.16 -1.57 0
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30845 842000 1 NO6C17H19 AB6C17D19 -236.6 7.66 -9.08 -1.22 0
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30846 842001 1 NO6C17H19 AB6C17D19 -237.18 6.02 -9.04 -1.18 0
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30847 842002 1 NO6C17H19 AB6C17D19 -234.71 5.26 -8.9 -1.03 0
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30848 842004 1 NO6C14H15 AB6C14D15 -233.27 8.48 -9.14 -1.29 0
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30849 842005 1 NO6C13H13 AB6C13D13 -222.67 5.55 -8.97 -1.09 0
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30850 842006 1 NO2C11H11 AB2C11D11 -47.38 5.32 -8.75 -0.34 0
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30851 842007 1 OSN2C13H18 ABC2D13E18 -26.43 8.51 -8.47 -0.39 0
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30852 842008 1 OSN2C13H18 ABC2D13E18 -22.7 6.56 -7.89 -0.2 0
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30853 842009 1 ClON4C13H15 ABC4D13E15 2.48 6.56 -8.72 -0.08 0
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30854 842010 1 OSN2C13H14 ABC2D13E14 16.19 6.42 -8.6 -0.41 0
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30855 842011 1 NO2C22H27 AB2C22D27 -67.27 3.41 -8.68 -0.38 0
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30856 842012 1 ClO2N3C14H16 AB2C3D14E16 -35.72 7.66 -9.16 -0.61 0
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30857 842013 1 N3O5C12H15 A3B5C12D15 -142.24 3.88 -9.7 -0.98 0
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30858 842014 1 ClON3C12H12 ABC3D12E12 10.25 5.27 -8.77 -0.38 0
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30859 842016 1 N3O4C11H13 A3B4C11D13 -98.37 5.06 -9.74 -0.95 0
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30860 842020 1 N2O2C15H18 A2B2C15D18 -31.53 4.92 -8.83 -0.21 0
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30861 842027 1 ClNO3C17H18 ABC3D17E18 -89.71 4.16 -8.94 -0.39 0
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30862 842035 1 O3N4C16H20 A3B4C16D20 -63.99 2.19 -8.94 -0.5 1
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30863 842037 1 NO2C12H12 AB2C12D12 -39.99 3.83 0.0 0.0 0
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30864 842043 1 S2N3C10H13 A2B3C10D13 53.2 7.17 -8.98 -0.96 0
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30865 842044 1 N2O5C18H20 A2B5C18D20 -137.01 4.62 -8.65 -0.55 0
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30866 842071 1 SCl2O2N3H11C13 AB2C2D3E11F13 4.56 5.46 -9.56 -1.06 0
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30867 842072 1 O2S2N3C14H17 A2B2C3D14E17 -8.7 2.88 -8.92 -1.08 0
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30868 842079 1 ON2Cl4C12H14 AB2C4D12E14 -66.68 3.16 -8.91 -0.58 0
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30869 842083 1 NO3C15H23 AB3C15D23 -163.65 8.54 -9.2 0.35 0
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30870 842085 1 NO3C15H23 AB3C15D23 -161.78 5.71 -9.36 0.54 0
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30871 842086 1 NO3C15H23 AB3C15D23 -161.97 6.44 -9.41 0.56 0
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30872 842087 1 NO3C15H23 AB3C15D23 -164.66 8.93 -9.6 0.48 0
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30873 842089 1 ClSO2N4C14H15 ABC2D4E14F15 -17.78 3.22 -8.78 -1.23 0
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30874 842091 1 N3O3C16H19 A3B3C16D19 -32.78 4.52 -8.42 -0.27 0
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30875 842092 1 N2O3H12C16 A2B3C12D16 -2.07 1.89 -9.71 -0.92 0
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30876 842093 1 NO5C18H21 AB5C18D21 -187.64 7.8 -9.17 -0.6 0
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30877 842094 1 NO5C18H21 AB5C18D21 -186.78 5.89 -8.99 -0.38 0
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30878 842095 1 NO5C18H21 AB5C18D21 -186.33 5.9 -9.1 -0.48 0
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30879 842096 1 NO5C18H21 AB5C18D21 -188.4 7.8 -9.15 -0.54 0
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30880 842098 1 BrClO2H6C8 ABC2D6E8 -64.81 2.08 -9.83 -1.13 0
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30881 842099 1 OSN3C12H15 ABC3D12E15 10.45 6.06 -9.31 -0.55 0
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30882 842100 1 ClNOF3H15C17 ABCD3E15F17 -180.28 2.61 -9.39 -1.0 0
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30883 842101 1 FNOC17H18 ABCD17E18 -67.02 4.42 -8.8 -0.02 0
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30884 842102 1 O3N4H10C12 A3B4C10D12 38.01 4.19 -8.33 -1.75 0
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30885 842104 1 NO3C19H21 AB3C19D21 -101.78 4.86 -9.13 -0.61 0
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30886 842105 1 N2S2C9H10 A2B2C9D10 48.24 1.29 -8.52 -0.66 0
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30887 842106 1 NO4C18H23 AB4C18D23 -167.36 3.8 -8.2 0.19 0
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30888 842107 1 NO4C18H23 AB4C18D23 -164.85 1.99 -8.4 -0.01 0
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30889 842108 1 NO4C18H23 AB4C18D23 -165.56 5.43 -8.43 -0.02 0
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30890 842112 1 NO3C17H21 AB3C17D21 -129.1 5.6 -8.91 -0.02 0
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30891 842115 1 NO3C16H25 AB3C16D25 -168.51 5.85 -9.43 0.57 0
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30892 842116 1 NO3C16H25 AB3C16D25 -167.56 5.69 -9.34 0.49 0
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30893 842117 1 NO3C16H25 AB3C16D25 -171.76 8.64 -9.34 0.6 0
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30894 844896 1 N2O2H18C19 A2B2C18D19 4.64 1.81 -8.8 -0.57 0
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30895 845401 1 OF2N4H16C17 AB2C4D16E17 -40.04 5.16 -9.2 -0.38 0
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30896 845916 1 OSN3C17H29 ABC3D17E29 -49.04 7.78 -8.54 -0.23 0
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30897 846440 1 NOSC11H15 ABCD11E15 -34.99 2.77 -8.88 0.06 0
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30898 853736 1 BrN2O3H11C13 AB2C3D11E13 -59.96 5.22 -8.84 -1.14 0
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30899 853737 1 NO3C14H19 AB3C14D19 -104.38 5.56 -8.63 0.06 0
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30900 853747 2 ClHNC4 ABCD4 77.41 4.2 -10.34 -1.93 0
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30901 853750 1 NO4C11H13 AB4C11D13 -164.76 6.2 -9.32 -0.32 0
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30902 853754 2 NOC7H10 ABC7D10 -94.69 3.56 -9.64 -0.5 0
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30903 853755 1 O3H14C15 A3B14C15 -80.11 2.74 -9.69 -0.2 0
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30904 853756 2 OC3H4 AB3C4 -77.6 4.5 -10.04 0.54 0
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30905 853757 1 OCl2N2H12C14 AB2C2D12E14 -11.17 6.94 -8.94 -0.44 0
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30906 853761 1 N2O2C15H22 A2B2C15D22 -76.72 5.05 -8.3 0.26 0
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30907 853762 1 N2O3H8C10 A2B3C8D10 -75.11 5.04 -9.75 -1.28 0
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30908 853763 1 O2N4C15H24 A2B4C15D24 -109.06 8.48 -8.47 0.06 0
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30909 853764 1 OCl2N2H14C15 AB2C2D14E15 -15.63 6.82 -8.88 -0.49 0
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30910 853765 1 ClON2C13H17 ABC2D13E17 -48.92 5.73 -8.65 0.01 0
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30911 853766 1 BrN2O2C11H13 AB2C2D11E13 -56.2 4.11 -8.97 -0.3 0
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30912 853767 1 ClON2C13H17 ABC2D13E17 -47.92 6.09 -8.73 -0.1 0
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30913 853771 1 SN2C14H20 AB2C14D20 18.92 6.27 -8.21 0.08 0
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30914 853772 1 ON2C13H18 AB2C13D18 -37.62 4.55 -8.62 0.32 0
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30915 853773 1 ON2C13H18 AB2C13D18 -34.73 3.03 -8.8 0.09 0
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30916 853774 1 N2O3C12H16 A2B3C12D16 -102.5 4.45 -8.71 0.04 0
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30917 853779 1 ClNO2C13H16 ABC2D13E16 -96.3 1.42 -9.02 -0.25 0
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30918 853790 1 Cl2N2O3H10C14 A2B2C3D10E14 -95.47 4.28 -9.15 -1.23 0
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30919 853793 1 N2O4H14C15 A2B4C14D15 -115.63 9.67 -8.85 -0.76 0
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30920 853800 1 OSN2C10H10 ABC2D10E10 0.19 3.14 -9.02 -0.78 0
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30921 853801 1 O2N3C15H15 A2B3C15D15 -27.51 2.11 -9.04 -0.72 0
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30922 853802 1 SN2O2C12H16 AB2C2D12E16 -67.25 4.78 -8.78 -1.1 0