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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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432697 135172833 1 F5O9H33C34 A5B9C33D34 -575.14 2.17 -9.47 -0.73 0
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432698 135172834 1 O9C43H50 A9B43C50 -323.9 1.19 -8.59 -0.58 0
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432699 135172835 1 N6O11C51H78 A6B11C51D78 -485.8 9.05 -9.11 -1.57 0
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432700 135172836 2 O4C23H28 A4B23C28 -299.88 5.34 -8.93 -0.41 0
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432701 135172837 1 O2N8C25H28 A2B8C25D28 49.89 3.86 -9.16 -0.94 0
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432702 135172838 1 F3O8C39H43 A3B8C39D43 -447.44 1.59 -9.05 -0.71 0
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432703 135172839 1 NO2F3C12H14 AB2C3D12E14 -231.54 4.98 -9.0 -0.53 0
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432704 135172840 2 O4C21H27 A4B21C27 -327.68 0.65 -8.95 -0.57 0
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432705 135172841 1 O2N5C29H29 A2B5C29D29 34.57 6.14 -8.8 -0.75 0
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432706 135172842 1 SN7O11C51H83 AB7C11D51E83 -553.17 5.95 -9.05 -0.32 0
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432707 135172843 1 NOC14H25 ABC14D25 -92.23 3.69 -9.64 1.3 0
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432708 135172845 1 FN6O11C51H77 AB6C11D51E77 -525.71 6.93 -8.78 -1.47 0
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432709 135172846 1 ClN5O8C41H66 AB5C8D41E66 -381.38 4.16 -9.02 -0.5 0
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432710 135172847 1 SN6C40H46 AB6C40D46 136.59 1.27 -8.15 -0.45 0
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432711 135172848 1 SN7O11C52H83 AB7C11D52E83 -514.98 8.53 -8.97 -0.24 0
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432712 135172849 1 F3O8C39H49 A3B8C39D49 -481.64 4.22 -9.26 -0.73 0
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432713 135172850 1 N4C9H14 A4B9C14 24.58 1.4 -8.06 0.44 0
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432714 135172851 1 ClSN7O11C52H82 ABC7D11E52F82 -533.41 8.72 -8.82 -0.15 0
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432715 135172852 2 O4C21H29 A4B21C29 -343.19 2.36 -8.96 -0.62 0
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432716 135172853 1 SN7O11C48H77 AB7C11D48E77 -532.75 10.83 -9.09 -0.34 0
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432717 135172854 1 O8C47H64 A8B47C64 -356.2 3.84 -9.0 -0.64 0
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432718 135172855 1 NO5C16H27 AB5C16D27 -202.75 6.43 -9.95 0.53 0
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432719 135172856 1 OF2N3H13C16 AB2C3D13E16 -36.79 3.21 -9.1 -0.85 0
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432720 135172857 1 N3O4C24H33 A3B4C24D33 -111.08 5.69 -8.59 -0.1 0
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432721 135172858 1 N3O4C23H29 A3B4C23D29 -118.79 5.88 -8.88 -0.55 0
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432722 135172859 1 FN5O8C45H74 AB5C8D45E74 -451.58 6.85 -8.91 -0.39 0
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432723 135172860 1 N2O4H18C21 A2B4C18D21 -81.03 3.6 -9.28 -1.46 0
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432724 135172861 1 N2O6H26C29 A2B6C26D29 -159.06 6.88 -9.12 -0.68 0
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432725 135172862 1 SN5O8C39H65 AB5C8D39E65 -361.32 5.47 -9.12 -0.18 0
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432726 135172863 1 N5O10C59H83 A5B10C59D83 -422.35 7.47 -8.72 -0.27 0
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432727 135172864 1 ClC16H27 AB16C27 -30.57 2.51 -8.63 0.53 0
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432728 135172865 2 O3C8H12 A3B8C12 -280.84 5.96 -10.33 -0.18 0
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432729 135172866 1 ON2C16H26 AB2C16D26 -58.65 1.4 -8.02 0.49 0
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432730 135172867 1 FN5O8C39H66 AB5C8D39E66 -456.32 3.73 -8.9 0.12 0
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432731 135172868 1 FN2O4C19H27 AB2C4D19E27 -215.21 2.75 -9.33 0.12 0
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432732 135172869 2 ON2C14H17 AB2C14D17 -21.68 3.24 -8.65 -0.46 0
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432733 135172870 1 N3O4C23H27 A3B4C23D27 -106.01 3.04 -9.15 -0.75 0
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432734 135172871 2 O4C18H23 A4B18C23 -321.26 4.18 -8.4 -0.56 0
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432735 135172872 1 FSN7O11C50H80 ABC7D11E50F80 -590.11 6.18 -8.97 -0.21 0
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432736 135172873 1 O3N7H23C24 A3B7C23D24 25.81 8.88 -9.07 -0.89 0
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432737 135172874 1 O2N4C25H28 A2B4C25D28 -5.26 6.58 -8.69 -0.52 0
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432738 135172875 2 N2O2C15H18 A2B2C15D18 -117.47 6.98 -8.73 -0.63 0
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432739 135172876 1 BrNO2H8C9 ABC2D8E9 -53.91 3.03 -9.95 -1.11 0
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432740 135172877 1 O2F3N4C27H29 A2B3C4D27E29 -169.81 6.57 -8.89 -0.78 0
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432741 135172878 1 SN7O12C48H77 AB7C12D48E77 -559.8 5.63 -9.19 -0.45 0
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432742 135172879 1 NOSCl2H7C8 ABCD2E7F8 -27.4 3.96 -8.67 -0.98 0
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432743 135172880 1 SN7O11C52H83 AB7C11D52E83 -526.84 6.86 -9.14 -0.43 0
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432744 135172881 2 NO3C18H20 AB3C18D20 -190.14 4.78 -9.07 -0.6 0
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432745 135172882 1 F2O7N9C46H57 A2B7C9D46E57 -346.75 6.27 -8.8 -0.33 0
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432746 135172883 1 F2N10O15C57H76 A2B10C15D57E76 -713.39 11.54 -9.01 -1.35 0
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432747 135172884 1 N3O6H33C34 A3B6C33D34 -98.49 7.37 -8.92 -0.71 0
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432748 135172885 1 O2N8C25H26 A2B8C25D26 59.57 2.14 -8.86 -1.04 0
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432749 135172886 1 N2O6C35H38 A2B6C35D38 -198.97 6.21 -8.84 -0.56 0
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432750 135172887 1 F2N7O10C54H63 A2B7C10D54E63 -453.08 9.12 -8.71 -0.43 0
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432751 135172888 1 N3O6C34H37 A3B6C34D37 -155.34 7.52 -8.89 -0.68 0
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432752 135172889 1 N2O6H30C31 A2B6C30D31 -165.46 8.04 -9.06 -0.66 0
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432753 135172890 1 N2O6C31H34 A2B6C31D34 -222.33 5.32 -9.04 -0.59 0
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432754 135172891 2 NO3H12C16 AB3C12D16 -115.44 0.69 -9.08 -0.58 0
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432755 135172892 1 N2O5C22H26 A2B5C22D26 -179.3 5.66 -9.73 -0.31 0
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432756 135172893 1 N4O7C17H22 A4B7C17D22 -295.15 6.01 -9.52 -0.15 0
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432757 135172894 1 NO2C17H35 AB2C17D35 -159.99 2.91 -9.67 1.11 0
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432758 135172895 1 F2N8O15C53H68 A2B8C15D53E68 -702.09 12.25 -8.86 -0.97 0
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432759 135172896 1 NO4H11C12 AB4C11D12 -124.99 4.01 -9.37 -0.62 0
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432760 135172897 2 NO3H14C15 AB3C14D15 -160.03 4.91 -9.12 -0.64 0
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432761 135172898 2 NO3H10C13 AB3C10D13 -140.1 0.11 -9.08 -0.69 0
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432762 135172899 1 N2O6H22C27 A2B6C22D27 -144.33 4.51 -9.1 -0.64 0
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432763 135172900 1 N6O11C51H76 A6B11C51D76 -429.68 7.84 -9.11 -1.66 0
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432764 135172901 1 N2O8H34C35 A2B8C34D35 -239.15 7.96 -8.88 -0.56 0
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432765 135172902 1 N5O10C59H85 A5B10C59D85 -472.6 2.76 -8.89 -0.44 0
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432766 135172903 1 N5C18H23 A5B18C23 115.58 5.71 -7.91 -0.52 0
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432767 135172904 1 FN4O6C24H35 AB4C6D24E35 -281.83 3.22 -9.29 -0.36 0
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432768 135172905 2 O2H32C41 A2B32C41 150.84 4.66 -8.37 -0.21 0
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432769 135172906 2 O3C7H10 A3B7C10 -252.04 6.05 -10.73 -0.56 0
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432770 135172907 1 FN3O5C27H34 AB3C5D27E34 -208.92 6.44 -9.3 -0.44 0
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432771 135172908 1 NF2C23H25 AB2C23D25 -55.33 3.79 -8.54 -0.22 0
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432772 135172909 1 O6H114C137 A6B114C137 413.34 4.2 -7.98 -0.63 0
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432773 135172910 1 ON5C19H23 AB5C19D23 90.79 2.98 -7.87 -0.55 1
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432774 135172911 1 O3N6C21H23 A3B6C21D23 -19.44 11.75 0.0 0.0 1
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432775 135172912 1 ON5C17H20 AB5C17D20 60.35 2.48 0.0 0.0 1
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432776 135172913 1 N6C21H29 A6B21C29 101.58 4.04 0.0 0.0 1
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432777 135172914 1 ON6C18H19 AB6C18D19 122.56 4.99 0.0 0.0 0
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432778 135172915 1 O2N5C18H21 A2B5C18D21 31.0 3.39 -8.23 -1.05 1
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432779 135172916 1 N6C17H21 A6B17C21 90.96 1.67 0.0 0.0 0
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432780 135172917 5 NC4H5 AB4C5 119.09 1.85 -8.01 -0.88 1
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432781 135172918 1 ON4H17C19 AB4C17D19 77.28 4.61 0.0 0.0 1
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432782 135172919 1 O2N6C21H27 A2B6C21D27 28.64 6.03 0.0 0.0 1
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432783 135172920 1 Cl2N7C19H20 A2B7C19D20 147.72 6.89 0.0 0.0 0
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432784 135172921 2 NO3H14C16 AB3C14D16 -123.45 3.87 -8.91 -0.69 0
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432785 135172922 2 NO3H14C16 AB3C14D16 -118.3 9.18 -8.82 -0.63 0
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432786 135172923 2 NO4H14C15 AB4C14D15 -220.58 7.12 -9.11 -0.63 0
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432787 135172924 1 N3O7C31H31 A3B7C31D31 -182.93 11.17 -8.88 -0.74 1
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432788 135172925 1 ON6H19C21 AB6C19D21 129.34 6.57 0.0 0.0 0
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432789 135172926 2 O2H29C42 A2B29C42 159.77 0.88 -8.6 -0.35 0
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432790 135172927 2 OH21C30 AB21C30 140.53 0.88 -8.71 -0.54 0
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432791 135172928 2 O3H47C66 A3B47C66 318.61 2.97 -8.7 -0.39 0
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432792 135172929 1 OH42C60 AB42C60 196.96 1.2 -8.77 -0.34 0
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432793 135172930 2 O2H27C39 A2B27C39 136.31 3.68 -8.59 -0.38 0
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432794 135172931 2 O2H29C43 A2B29C43 177.51 3.38 -8.07 -0.9 0
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432795 135172932 2 O2H23C33 A2B23C33 83.75 1.91 -8.66 -0.4 0
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432796 135172933 2 OH31C42 AB31C42 199.17 2.47 -8.38 -0.62 0