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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40828 8144768 1 O2N3C22H33 A2B3C22D33 -104.26 2.14 -8.96 0.26 1
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40829 8144769 1 O2N3C22H34 A2B3C22D34 -80.34 2.27 0.0 0.0 0
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40830 8144772 1 O2N3C27H29 A2B3C27D29 -32.2 1.5 -8.96 -0.62 0
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40831 8144776 1 O2S2N4C15H16 A2B2C4D15E16 -20.0 2.53 -8.79 -1.2 0
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40832 8144778 1 O2N3C25H37 A2B3C25D37 -109.85 2.07 -8.93 0.3 1
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40833 8144786 1 O2N3C22H32 A2B3C22D32 -73.18 2.78 0.0 0.0 0
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40834 8144790 1 O2N3C22H31 A2B3C22D31 -95.42 1.82 -8.92 0.29 1
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40835 8144791 1 SO2N4C16H23 AB2C4D16E23 -60.89 3.32 0.0 0.0 0
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40836 8144794 1 O2N3C22H31 A2B3C22D31 -96.89 1.64 -8.93 0.34 1
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40837 8144797 1 O2N4C18H25 A2B4C18D25 42.51 9.8 0.0 0.0 0
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40838 8144798 2 ON2C9H12 AB2C9D12 24.23 8.11 -9.56 -0.49 0
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40839 8144800 1 SO2N4C16H22 AB2C4D16E22 -75.83 2.67 -8.74 -1.02 1
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40840 8144801 1 N2O2C22H25 A2B2C22D25 -11.47 15.78 0.0 0.0 0
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40841 8144804 1 N3O4C21H21 A3B4C21D21 -25.8 4.71 -9.1 -1.84 1
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40842 8144807 1 N2O2C21H27 A2B2C21D27 -44.1 2.32 0.0 0.0 0
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40843 8144808 1 N2O2C21H26 A2B2C21D26 -63.27 1.49 -8.83 0.2 1
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40844 8144809 1 SO2N4C16H23 AB2C4D16E23 -57.7 3.88 0.0 0.0 1
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40845 8144820 1 FSN4C22H26 ABC4D22E26 55.19 4.32 0.0 0.0 1
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40846 8144822 1 SO2N4C18H21 AB2C4D18E21 -22.3 4.71 0.0 0.0 1
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40847 8144830 1 SN4C23H29 AB4C23D29 92.35 4.69 0.0 0.0 0
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40848 8144831 1 SN4C23H28 AB4C23D28 73.72 4.66 -8.32 -0.29 1
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40849 8144836 1 O2N3C26H34 A2B3C26D34 -40.77 2.75 0.0 0.0 0
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40850 8144837 1 O2N3C26H33 A2B3C26D33 -60.52 1.29 -8.9 0.04 1
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40851 8144842 1 OSN4C23H29 ABC4D23E29 63.14 5.6 0.0 0.0 1
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40852 8144844 1 OSN4C23H29 ABC4D23E29 61.71 7.14 0.0 0.0 0
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40853 8144845 1 OSN4C23H28 ABC4D23E28 47.29 5.4 -8.14 -0.32 0
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40854 8144848 1 N3O3C23H25 A3B3C23D25 -65.51 3.09 -9.2 -1.09 0
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40855 8144852 1 N3O3C17H21 A3B3C17D21 -93.63 2.93 -9.31 -1.15 1
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40856 8144854 1 SN5C23H30 AB5C23D30 103.67 4.46 0.0 0.0 0
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40857 8144855 1 SN5C23H29 AB5C23D29 82.07 2.23 -8.47 -1.0 1
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40858 8144856 1 SN4C23H29 AB4C23D29 94.64 4.25 0.0 0.0 0
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40859 8144858 1 N3O6C16H23 A3B6C16D23 -226.31 10.3 -9.41 -0.87 1
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40860 8144859 1 OS2N4C20H25 AB2C4D20E25 72.03 12.81 0.0 0.0 0
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40861 8144860 1 OS2N4C20H24 AB2C4D20E24 50.2 4.55 -8.75 -0.58 0
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40862 8144861 1 N3O6C16H23 A3B6C16D23 -229.88 8.11 -9.14 -0.48 1
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40863 8144862 1 SO2N4C16H17 AB2C4D16E17 -6.51 4.84 0.0 0.0 0
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40864 8144863 1 SO2N4C16H16 AB2C4D16E16 -19.33 1.23 -9.1 -1.23 1
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40865 8144864 1 S2N4C18H25 A2B4C18D25 68.86 5.25 0.0 0.0 0
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40866 8144866 1 N3O6C16H23 A3B6C16D23 -235.38 8.34 -9.41 -0.86 0
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40867 8144868 1 N2O4C23H24 A2B4C23D24 -88.99 7.22 -8.72 -1.22 1
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40868 8144869 1 ClSO2N4C17H22 ABC2D4E17F22 -13.56 6.98 0.0 0.0 0
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40869 8144870 1 ClSO2N4C17H21 ABC2D4E17F21 -32.01 2.13 -8.54 -0.76 1
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40870 8144878 1 ClSO2N4C18H24 ABC2D4E18F24 -23.3 6.46 0.0 0.0 0
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40871 8144879 1 ClSO2N4C18H23 ABC2D4E18F23 -41.22 4.47 -8.4 -0.6 1
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40872 8144880 1 SO2N4C19H27 AB2C4D19E27 -22.68 5.88 0.0 0.0 1
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40873 8144882 1 SO3N4C14H15 AB3C4D14E15 -34.11 5.9 0.0 0.0 0
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40874 8144885 1 FSN3O4C19H24 ABC3D4E19F24 -155.03 3.89 -9.0 -0.58 1
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40875 8144886 1 FSN3O4C19H25 ABC3D4E19F25 -135.5 8.56 0.0 0.0 0
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40876 8144890 1 ClSO2N4H15C16 ABC2D4E15F16 -21.74 10.35 -8.82 -1.23 1
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40877 8144893 1 FSN3O4C19H25 ABC3D4E19F25 -131.26 6.29 0.0 0.0 0
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40878 8144896 1 N3O4C15H25 A3B4C15D25 -199.21 2.19 -9.14 0.17 0
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40879 8144897 1 O2N3C18H19 A2B3C18D19 16.04 3.74 -8.53 -1.28 1
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40880 8144898 1 N3O4C15H26 A3B4C15D26 -176.14 3.1 0.0 0.0 0
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40881 8144899 1 N3O4C15H25 A3B4C15D25 -199.61 1.03 -9.12 0.19 1
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40882 8144900 1 N3O4C22H30 A3B4C22D30 -151.64 4.82 0.0 0.0 0
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40883 8144901 1 N3O4C22H29 A3B4C22D29 -174.69 1.0 -8.96 0.13 1
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40884 8144902 1 N3O4C22H30 A3B4C22D30 -151.68 5.34 0.0 0.0 0
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40885 8144903 1 N3O4C22H29 A3B4C22D29 -172.99 2.59 -8.92 0.05 1
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40886 8144905 1 NO5C16H22 AB5C16D22 -173.81 5.94 0.0 0.0 1
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40887 8144907 1 BrNO3C19H23 ABC3D19E23 -95.61 12.66 0.0 0.0 0
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40888 8144908 1 BrNO3C19H22 ABC3D19E22 -108.56 4.86 -8.66 -0.78 1
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40889 8144909 1 SO2N4C17H23 AB2C4D17E23 -4.14 5.68 0.0 0.0 0
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40890 8144910 1 SO2N4C17H22 AB2C4D17E22 -21.88 3.8 -8.37 -0.48 0
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40891 8144911 1 ON5H11C12 AB5C11D12 89.65 3.58 -9.13 -1.17 1
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40892 8144914 1 O2S2N4C19H27 A2B2C4D19E27 -27.39 13.38 0.0 0.0 0
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40893 8144915 1 O2S2N4C19H26 A2B2C4D19E26 -33.52 4.22 -8.26 -0.64 1
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40894 8144916 1 ClN2O4C17H20 AB2C4D17E20 -127.53 12.56 0.0 0.0 0
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40895 8144917 1 ClN2O4C17H19 AB2C4D17E19 -141.99 5.48 -9.15 -1.54 0
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40896 8144918 1 ClON3H22C23 ABC3D22E23 33.07 3.57 -9.65 -1.21 0
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40897 8144922 1 O2S2N4C19H26 A2B2C4D19E26 -34.49 3.89 -8.19 -0.9 1
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40898 8144924 1 O2S2N4C20H29 A2B2C4D20E29 -52.9 5.44 0.0 0.0 0
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40899 8144925 2 OSN2C10H14 ABC2D10E14 -35.2 4.61 -8.2 -0.9 1
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40900 8144927 1 SN3O4C21H30 AB3C4D21E30 -146.91 2.63 0.0 0.0 1
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40901 8144929 1 FN2O4C17H20 AB2C4D17E20 -165.5 14.87 0.0 0.0 1
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40902 8144932 1 SN3O5C19H26 AB3C5D19E26 -122.4 6.82 0.0 0.0 0