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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406845 135078772 1 ClNO4C20H20 ABC4D20E20 -113.9 4.23 -9.1 -0.98 0
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406846 135078776 1 NSO3C15H21 ABC3D15E21 -107.9 2.28 -8.1 -0.11 0
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406847 135078784 1 OSi2C17H34 AB2C17D34 -115.59 1.28 -8.68 0.28 0
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406848 135078785 1 LiO2C16H21 AB2C16D21 -21.44 7.59 -7.43 0.28 0
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406849 135078788 1 BrNO2C16H22 ABC2D16E22 -100.15 3.82 -9.26 -0.16 0
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406850 135078790 1 NO3C14H27 AB3C14D27 -174.7 1.66 -10.08 0.76 0
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406851 135078792 1 FO3C15H15 AB3C15D15 -102.33 2.77 -10.33 -0.99 0
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406852 135078796 2 NO2C10H14 AB2C10D14 -124.27 2.88 -8.8 -1.07 1
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406853 135078797 1 N2O4C20H29 A2B4C20D29 -133.27 7.44 0.0 0.0 0
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406854 135078798 1 OC14H16 AB14C16 18.76 2.86 -9.03 -0.13 0
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406855 135078799 1 NO2F3H18C19 AB2C3D18E19 -161.93 5.78 -8.64 -0.6 0
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406856 135078800 1 NOF3C20H28 ABC3D20E28 -189.46 3.34 -9.38 0.24 0
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406857 135078801 1 NH29C31 AB29C31 124.93 1.14 -9.27 -0.08 0
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406858 135078802 1 BrN2O3C19H25 AB2C3D19E25 -82.26 3.67 -9.42 -1.24 1
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406859 135078803 1 BrN2O3C19H26 AB2C3D19E26 -89.79 5.95 0.0 0.0 0
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406860 135078804 1 N2O5C21H28 A2B5C21D28 -169.4 1.7 -10.05 -1.2 1
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406861 135078805 1 N2O5C21H29 A2B5C21D29 -177.01 4.67 0.0 0.0 0
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406862 135078806 1 OSnC18H38 ABC18D38 -104.97 3.01 -8.14 0.41 0
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406863 135078807 1 SiO2C21H24 AB2C21D24 -61.51 2.67 -8.93 -0.41 0
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406864 135078808 1 BC15H21 AB15C21 -19.97 0.53 -9.13 -0.17 0
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406865 135078809 1 BrNO3H16C17 ABC3D16E17 -56.34 4.28 -8.76 -0.88 0
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406866 135078810 1 NF3O3H16C18 AB3C3D16E18 -220.98 5.2 -8.85 -1.14 0
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406867 135078811 1 N3O3C4H7 A3B3C4D7 -49.2 3.39 -10.2 -0.38 0
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406868 135078812 1 INO2C13H16 ABC2D13E16 -33.13 1.94 -9.31 -1.03 0
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406870 135078814 1 O7C30H44 A7B30C44 -302.62 3.82 -9.6 0.02 0
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406871 135078815 4 OC4H7 AB4C7 -227.62 1.79 -10.42 -0.44 0
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406872 135078816 1 NOC18H25 ABC18D25 -42.0 3.73 -9.42 -0.11 0
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406873 135078817 1 O3H12C16 A3B12C16 -41.3 2.57 -9.42 -1.23 0
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406874 135078818 1 ClO4H11C12 AB4C11D12 -148.52 7.12 -9.88 -0.9 0
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406875 135078819 1 PO5H19C21 AB5C19D21 -173.38 4.05 -8.91 -0.78 0
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406876 135078820 1 BrSiN2O3C29H33 ABC2D3E29F33 -90.52 1.53 -8.96 -1.07 1
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406877 135078821 1 BrSiN2O3C29H34 ABC2D3E29F34 -63.82 6.28 0.0 0.0 0
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406878 135078822 1 ISiN2O3C19H29 ABC2D3E19F29 -126.89 1.41 -8.81 -0.95 1
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406879 135078823 1 ISiN2O3C19H30 ABC2D3E19F30 -113.61 7.03 0.0 0.0 0
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406880 135078824 1 SN2O3C15H16 AB2C3D15E16 -46.58 6.07 -8.9 -0.39 0
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406881 135078825 1 OS2C22H26 AB2C22D26 -5.77 3.96 -8.39 -0.17 0
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406882 135078826 1 OS2C23H28 AB2C23D28 -6.32 3.78 -8.46 -0.07 0
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406883 135078827 2 NOC10H13 ABC10D13 -50.1 3.94 -9.05 0.2 0
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406884 135078828 1 NSO2C14H15 ABC2D14E15 42.0 6.65 -9.21 -0.69 0
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406885 135078829 1 OC13H18 AB13C18 -28.76 2.15 -9.12 0.42 0
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406886 135078835 2 NOC6H6 ABC6D6 -0.18 2.46 -8.93 -0.78 0
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406887 135078851 1 BKSO3C9H12 ABCD3E9F12 -227.12 9.45 -8.21 0.26 0
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406888 135078856 1 ClNSSnC32H42 ABCDE32F42 36.35 7.13 -8.36 -0.64 0
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406889 135078858 1 BrNSO5C14H18 ABCD5E14F18 -141.44 6.27 -9.23 -0.98 0
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406890 135078860 1 NSSiO5C13H27 ABCD5E13F27 -279.11 5.52 -8.46 -0.5 0
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406891 135078869 1 LiO2C15H19 AB2C15D19 -16.11 7.3 -8.19 0.6 0
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406892 135078870 1 O2C15H20 A2B15C20 -44.06 1.39 -9.37 0.32 0
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406893 135078871 1 IN2F3H12C14 AB2C3D12E14 -93.54 4.68 -8.64 -0.92 0
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406894 135078872 1 LiOC12H15 ABC12D15 -41.57 5.47 -8.79 0.68 0
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406895 135078874 1 NPO4C16H32 ABC4D16E32 -247.42 2.37 -10.05 0.64 0