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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403775 135061790 2 NOH12C14 ABC12D14 41.55 4.89 -8.19 -0.32 0
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403776 135061791 1 NOH25C28 ABC25D28 140.05 2.41 -9.09 -0.26 0
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403777 135061792 1 SO2N3C12H17 AB2C3D12E17 -51.78 4.24 -9.37 -0.62 0
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403778 135061793 1 SN3O4H23C26 AB3C4D23E26 -58.91 8.49 -8.7 -1.2 0
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403779 135061794 1 O3N4C18H18 A3B4C18D18 -9.46 3.89 -9.14 -1.16 0
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403780 135061795 1 SN2O4C23H24 AB2C4D23E24 -111.94 8.17 -8.86 -0.5 0
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403781 135061796 1 ClON2C15H19 ABC2D15E19 -28.2 7.85 -8.72 -0.56 0
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403782 135061797 1 SN2O4H16C25 AB2C4D16E25 -27.03 4.34 -8.68 -1.7 0
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403783 135061798 1 N2O4Cl6H22C27 A2B4C6D22E27 -126.79 7.45 -9.06 -0.99 0
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403784 135061799 1 SiN3O4C18H27 AB3C4D18E27 -116.62 6.06 -8.92 -1.65 0
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403785 135061824 1 BO4C19H29 AB4C19D29 -268.13 1.29 -9.12 0.61 0
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403786 135061833 1 O4C23H28 A4B23C28 -131.47 1.03 -9.26 0.35 0
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403787 135061889 2 O2C9H13 A2B9C13 -185.59 2.38 -9.04 0.43 0
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403788 135061896 1 NSF2O3H19C20 ABC2D3E19F20 -181.77 6.01 -8.5 -0.77 0
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403789 135061917 1 OC21H34 AB21C34 -74.74 2.27 -9.46 0.29 0
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403790 135061918 1 NOC15H23 ABC15D23 -44.23 1.06 -8.92 0.15 0
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403791 135061919 1 ClN3O3C17H22 AB3C3D17E22 -116.19 4.9 -9.37 -0.91 0
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403792 135061920 1 OSN5C14H19 ABC5D14E19 13.21 4.81 -8.32 -0.41 0
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403793 135061921 2 ON2C9H13 AB2C9D13 -70.2 0.88 -8.28 -0.01 0
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403794 135061922 1 N2O3C12H14 A2B3C12D14 -104.18 6.02 -8.6 -0.58 0
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403795 135061923 1 N2O4C19H22 A2B4C19D22 -124.3 4.17 -8.82 -0.32 0
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403796 135061924 1 N2O3H16C17 A2B3C16D17 -69.62 6.0 -8.59 -0.7 0
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403797 135061927 1 NO2C24H25 AB2C24D25 -16.46 3.15 -8.31 -0.02 0
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403798 135061928 1 NOC24H25 ABC24D25 20.45 2.9 -7.61 0.01 0
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403799 135061929 1 ON2C19H22 AB2C19D22 8.0 2.26 -8.72 -0.12 0
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403800 135061930 1 OSiN3C21H35 ABC3D21E35 -74.34 4.44 -8.82 -0.26 0
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403801 135061931 1 SN3O3H15C16 AB3C3D15E16 -58.35 8.96 -8.8 -0.95 0
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403802 135061932 1 NO4C14H17 AB4C14D17 -141.5 3.52 -9.81 -1.35 0
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403803 135061933 1 N2O3C14H18 A2B3C14D18 -111.54 6.53 -9.28 -0.84 0
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403804 135061934 1 SN4O4H22C23 AB4C4D22E23 -74.43 5.83 -8.79 -0.58 0
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403805 135061935 2 NH6C7 AB6C7 65.48 2.05 -8.67 -0.27 0
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403806 135061936 1 FON4H17C24 ABC4D17E24 45.91 5.04 -8.41 -0.68 0
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403807 135061937 1 N2C25H26 A2B25C26 65.45 5.08 -8.38 -0.19 0
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403808 135061938 1 N2F3H23C25 A2B3C23D25 -86.19 2.88 -8.63 -0.8 0
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403809 135061939 1 N2C19H20 A2B19C20 50.56 4.41 -8.52 -0.29 0
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403810 135061940 1 SiN2O2C16H24 AB2C2D16E24 -105.92 0.56 -8.64 -0.17 0
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403811 135061942 1 N2C19H22 A2B19C22 44.79 4.85 -8.41 -0.02 0
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403812 135061943 1 SiN2C17H20 AB2C17D20 35.4 5.34 -8.39 -0.11 0
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403813 135061944 1 SiN2C17H20 AB2C17D20 33.66 4.26 -8.38 -0.08 0
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403814 135061945 1 O2H22C23 A2B22C23 -0.21 1.47 -8.57 0.07 0
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403816 135061982 2 OC9H11 AB9C11 -37.26 1.96 -9.3 -0.17 1
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403817 135062016 1 FON2H16C22 ABC2D16E22 28.51 3.38 0.0 0.0 0
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403818 135062055 1 ClO5H15C19 AB5C15D19 -137.54 4.86 -9.26 -0.98 0
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403819 135062056 1 NSO5H17C21 ABC5D17E21 -40.38 5.74 -9.76 -1.95 0
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403820 135062057 4 OC5H6 AB5C6 -160.05 0.59 -9.09 0.38 0
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403821 135062058 1 NO3C20H25 AB3C20D25 -106.78 6.82 -9.34 0.36 0
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403822 135062059 1 O2C21H22 A2B21C22 -23.44 2.03 -8.82 -0.62 0
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403824 135062061 1 SO2F6C12H12 AB2C6D12E12 -344.22 3.51 -10.71 -1.14 0
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403825 135062062 1 BrFN2O7C21H28 ABC2D7E21F28 -331.64 6.01 -9.78 -0.9 0
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403826 135062064 1 FNO2S2H26C28 ABC2D2E26F28 -8.56 7.21 -8.09 -0.36 0
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403827 135062065 1 ClFNO2C8H9 ABCD2E8F9 -101.54 4.26 -11.02 -0.37 0
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403829 135062068 1 FNO5C17H26 ABC5D17E26 -289.18 5.28 -10.67 -0.24 0
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403830 135062069 1 O2Si2C23H44 A2B2C23D44 -147.85 3.47 -8.06 0.24 0
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403831 135062071 1 NSiO4C26H43 ABC4D26E43 -187.87 3.83 -8.62 0.34 0
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403832 135062072 1 FOC13H17 ABC13D17 -64.34 2.82 -8.8 0.31 0
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403833 135062073 1 FSO3H19C22 ABC3D19E22 -90.02 4.75 -9.68 -0.57 0
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403834 135062075 1 FN2O7C22H23 AB2C7D22E23 -267.5 4.44 -9.83 -0.97 0
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403835 135062077 1 FO6C31H33 AB6C31D33 -229.54 3.13 -8.9 -0.19 0
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403836 135062078 1 FNC10H12 ABC10D12 -33.75 1.55 -9.34 0.12 0
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403837 135062079 1 FNC17H18 ABC17D18 -10.86 1.96 -9.21 0.19 0
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403838 135062080 1 SO2F6C12H12 AB2C6D12E12 -343.27 4.61 -10.68 -1.2 0
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403839 135062082 1 SO2F6C12H12 AB2C6D12E12 -344.79 3.01 -10.68 -1.12 0
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403840 135062083 1 OC21H28 AB21C28 -17.15 1.05 -8.61 0.3 0
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403841 135062084 1 FO3C12H15 AB3C12D15 -170.44 5.45 -9.38 -0.47 0
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403842 135062086 1 FSO2C15H23 ABC2D15E23 -141.89 4.85 -10.26 -0.65 0
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403843 135062098 1 NO2C18H25 AB2C18D25 -49.63 3.34 -9.02 -0.28 0
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403844 135062100 1 NSO5C20H29 ABC5D20E29 -215.24 3.38 -9.52 -0.63 0
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403845 135062112 1 S2O3C20H26 A2B3C20D26 -83.01 4.19 -8.46 -0.22 0
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403846 135062140 1 SiO2C16H28 AB2C16D28 -151.49 4.34 -8.91 -0.09 0
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403847 135062182 1 O3C16H20 A3B16C20 -110.1 3.37 -8.79 -0.39 0
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403848 135062198 1 BNSiO4C27H34 ABCD4E27F34 -220.91 2.96 -9.06 -1.3 0
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403849 135062199 1 N5O5C31H43 A5B5C31D43 -144.6 3.28 -8.7 -0.68 1
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403850 135062200 1 N5O5C31H44 A5B5C31D44 -144.77 5.41 0.0 0.0 1
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403851 135062202 1 N4O4C31H37 A4B4C31D37 -25.73 9.99 0.0 0.0 0
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403852 135062203 1 ON2C29H32 AB2C29D32 42.65 3.83 -8.6 -0.23 0
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403853 135062204 1 BNSiO3C17H32 ABCD3E17F32 -262.22 5.07 -9.39 0.87 0
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403854 135062206 1 SiF3C21H25 AB3C21D25 -157.93 4.77 -9.46 -0.35 0
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403855 135062207 1 BSiO2C22H39 ABC2D22E39 -226.02 2.47 -9.04 0.5 0
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403856 135062208 1 SN2O2H24C27 AB2C2D24E27 55.89 7.45 -8.23 -0.5 0
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403857 135062209 1 ON2H24C29 AB2C24D29 136.19 4.44 -8.78 -0.4 0
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403858 135062210 1 ON2F6C16H16 AB2C6D16E16 -323.56 9.98 -9.53 -0.82 1
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403859 135062211 1 ON2F6C16H17 AB2C6D16E17 -320.17 8.11 0.0 0.0 1
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403860 135062214 1 SiB2O2N3C24H44 AB2C2D3E24F44 -138.89 2.73 0.0 0.0 0
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403861 135062215 1 SiO2H22C24 AB2C22D24 -80.69 4.89 -8.05 -0.14 0
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403862 135062216 1 BrC27H55 AB27C55 -138.07 2.28 -10.49 -0.04 0
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403863 135062219 1 BSiO3C24H33 ABC3D24E33 -196.5 1.94 -8.09 0.39 0
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403864 135062220 1 BrSN2O5C19H25 ABC2D5E19F25 -207.18 3.44 -8.66 -0.77 0
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403865 135062221 2 BrNO2H7C8 ABC2D7E8 25.84 0.12 -9.97 -0.93 0
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403866 135062222 1 SN3O3C21H21 AB3C3D21E21 -30.78 3.0 -8.8 -0.97 0
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403867 135062224 1 SN2O3C21H24 AB2C3D21E24 -57.44 5.58 -9.16 -0.76 0
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403868 135062319 1 N2O2C17H26 A2B2C17D26 -84.69 5.54 -8.99 -0.36 0
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403869 135062333 1 N2O3C15H20 A2B3C15D20 -108.24 3.17 -9.2 -0.34 0
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403870 135062348 1 SiC18H30 AB18C30 -39.94 1.36 -8.58 0.7 0
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403871 135062350 1 ClSiC20H25 ABC20D25 -21.2 1.53 -9.51 -0.41 0
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403872 135062351 1 BNO3C27H42 ABC3D27E42 -237.6 5.45 -8.83 0.76 0
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403873 135062353 1 BO3C16H25 AB3C16D25 -215.79 4.49 -8.99 0.7 0
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403874 135062354 1 BO4C29H37 AB4C29D37 -230.11 5.29 -9.23 -0.44 0
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403875 135062355 1 BSO2C20H31 ABC2D20E31 -150.08 3.25 -8.87 0.14 0
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403876 135062356 1 NC21H25 AB21C25 27.85 3.45 -8.12 0.31 0
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403877 135062357 1 BrON2H23C24 ABC2D23E24 25.04 6.17 -8.8 -0.13 0