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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42654 8149820 1 ClOSN3H18C21 ABCD3E18F21 30.59 1.15 -8.54 -1.16 0
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42655 8149822 1 SN3O3C20H23 AB3C3D20E23 -101.06 3.23 -8.7 -1.44 0
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42656 8149825 1 OSN3C18H25 ABC3D18E25 -47.46 2.66 -8.58 -0.83 1
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42657 8149826 1 OSN3C18H26 ABC3D18E26 -27.12 4.77 0.0 0.0 0
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42658 8149827 1 OSN3C18H25 ABC3D18E25 -46.3 2.66 -8.59 -0.85 1
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42659 8149828 1 OSN3C18H26 ABC3D18E26 -32.07 13.15 0.0 0.0 1
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42660 8149830 1 OSN3C18H26 ABC3D18E26 -31.25 7.42 0.0 0.0 0
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42661 8149831 1 OSN3C18H25 ABC3D18E25 -48.3 2.95 -8.51 -0.74 1
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42662 8149832 1 OS2N3C17H20 AB2C3D17E20 25.15 15.35 0.0 0.0 0
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42663 8149833 1 OS2N3C17H19 AB2C3D17E19 7.09 4.45 -8.61 -0.96 1
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42664 8149834 1 OS2N3C17H20 AB2C3D17E20 20.91 14.28 0.0 0.0 0
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42665 8149835 1 OS2N3C17H19 AB2C3D17E19 9.29 4.15 -8.64 -1.04 1
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42666 8149836 1 SN3O4C20H30 AB3C4D20E30 -156.84 19.61 0.0 0.0 0
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42667 8149837 1 SN3O4C20H29 AB3C4D20E29 -165.74 6.58 -9.06 -1.35 0
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42668 8149839 1 ClOSN3C21H24 ABCD3E21F24 -7.01 4.66 -8.78 -0.97 1
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42669 8149842 1 SN3O3C20H30 AB3C3D20E30 -126.42 17.97 0.0 0.0 1
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42670 8149844 1 OS2N3C20H26 AB2C3D20E26 9.2 15.44 0.0 0.0 0
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42671 8149847 1 OS2N3C20H25 AB2C3D20E25 -1.45 4.38 -8.64 -1.03 1
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42672 8149852 1 OSN3C18H28 ABC3D18E28 -40.76 7.0 0.0 0.0 0
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42673 8149853 1 OSN3C18H27 ABC3D18E27 -53.1 0.55 -8.66 -0.92 1
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42674 8149854 1 OSN3C18H28 ABC3D18E28 -39.36 7.42 0.0 0.0 0
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42675 8149855 1 OSN3C18H27 ABC3D18E27 -56.83 3.03 -8.51 -0.74 1
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42676 8149856 1 OS2N3C17H22 AB2C3D17E22 13.21 14.77 0.0 0.0 0
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42677 8149857 1 OS2N3C17H21 AB2C3D17E21 1.91 1.97 -8.74 -1.13 1
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42678 8149858 1 OS2N3C17H22 AB2C3D17E22 13.54 15.41 0.0 0.0 0
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42679 8149859 1 OS2N3C17H21 AB2C3D17E21 -1.36 4.42 -8.61 -0.95 2
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42680 8149860 1 FN4C21H35 AB4C21D35 87.86 14.27 -3.03 -0.65 0
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42681 8149861 1 FN4C21H33 AB4C21D33 -24.7 5.32 -8.65 -0.36 0
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42682 8149862 1 FOSN3H16C17 ABCD3E16F17 -35.44 2.4 -8.72 -1.12 0
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42683 8149863 1 FSN3O4C19H20 ABC3D4E19F20 -171.15 2.75 -9.0 -1.61 0
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42684 8149864 1 FOSN3C20H22 ABCD3E20F22 -64.58 2.41 -8.69 -0.97 0
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42685 8149865 1 FOSN3C20H22 ABCD3E20F22 -64.67 2.59 -8.68 -0.96 0
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42686 8149866 1 FOSN3C20H22 ABCD3E20F22 -63.28 3.15 -8.61 -0.88 0
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42687 8149867 1 FOSN3C20H22 ABCD3E20F22 -63.49 2.82 -8.6 -0.87 2
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42688 8149868 1 FN4C21H35 AB4C21D35 89.52 12.6 -3.0 -0.66 0
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42689 8149869 1 FN4C21H33 AB4C21D33 -24.27 2.56 -8.56 -0.44 0
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42690 8149870 1 ClFOSN3H15C20 ABCDE3F15G20 -13.65 2.27 -8.95 -1.2 0
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42691 8149871 1 FSN3O3C19H20 ABC3D3E19F20 -142.98 2.3 -8.84 -1.5 0
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42692 8149872 1 FSN3O3C19H20 ABC3D3E19F20 -143.45 3.92 -9.02 -1.44 0
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42693 8149874 1 FOS2N3H16C19 ABC2D3E16F19 -8.53 2.95 -8.72 -1.12 1
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42694 8149875 1 ClSN3C14H15 ABC3D14E15 93.05 7.83 0.0 0.0 1
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42695 8149877 1 OSN4C23H27 ABC4D23E27 17.04 13.47 0.0 0.0 1
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42696 8149879 1 OSN4C23H27 ABC4D23E27 15.18 10.1 0.0 0.0 0
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42697 8149880 1 OSN4C23H26 ABC4D23E26 5.6 4.11 -8.53 -0.86 0
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42698 8149882 1 OSN4C23H26 ABC4D23E26 2.3 1.77 -8.49 -0.75 1
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42699 8149883 1 OSN4C23H27 ABC4D23E27 22.1 4.76 0.0 0.0 0
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42700 8149884 1 OSN4C23H26 ABC4D23E26 3.57 2.44 -8.49 -0.71 1
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42701 8149885 1 ClON3C17H19 ABC3D17E19 -1.39 5.11 0.0 0.0 1
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42702 8149886 1 ClOS2N3H19C20 ABC2D3E19F20 47.44 14.09 0.0 0.0 0
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42703 8149887 1 ClOS2N3H18C20 ABC2D3E18F20 32.15 4.86 -8.66 -1.05 1
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42704 8149888 1 ClOS2N3H19C20 ABC2D3E19F20 44.89 10.17 0.0 0.0 0
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42705 8149889 1 ClOS2N3H18C20 ABC2D3E18F20 32.76 4.24 -8.71 -1.12 1
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42706 8149890 1 OSN3C22H28 ABC3D22E28 -5.99 7.78 0.0 0.0 0
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42707 8149893 1 OSN3C22H27 ABC3D22E27 -17.59 0.7 -8.67 -0.93 0
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42708 8149895 1 OSN3C22H27 ABC3D22E27 -17.97 2.22 -8.61 -0.85 0
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42709 8149897 1 OSN3C22H27 ABC3D22E27 -17.75 2.99 -8.56 -0.81 1
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42710 8149898 1 OS2N3C21H22 AB2C3D21E22 52.13 13.61 0.0 0.0 0
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42711 8149899 1 OS2N3C21H21 AB2C3D21E21 35.69 3.87 -8.66 -1.02 1
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42712 8149900 1 OS2N3C21H22 AB2C3D21E22 47.21 16.01 0.0 0.0 0
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42713 8149901 1 OS2N3C21H21 AB2C3D21E21 39.14 3.83 -8.65 -1.06 1
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42714 8149902 1 OSN6C18H21 ABC6D18E21 58.13 6.04 0.0 0.0 0
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42715 8149903 1 OSN6C18H20 ABC6D18E20 45.85 1.96 -8.61 -0.97 1
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42716 8149904 1 OSN6C21H27 ABC6D21E27 31.9 5.72 0.0 0.0 0
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42717 8149907 1 OSN6C21H26 ABC6D21E26 17.61 2.06 -8.66 -0.93 0
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42718 8149909 1 OSN6C21H26 ABC6D21E26 16.36 2.07 -8.67 -0.93 1
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42719 8149910 1 OSN6C21H27 ABC6D21E27 33.1 5.77 0.0 0.0 0
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42720 8149911 1 OSN6C21H26 ABC6D21E26 17.7 2.05 -8.67 -0.94 1
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42721 8149912 1 OSN6C21H29 ABC6D21E29 24.18 5.88 0.0 0.0 0
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42722 8149913 1 OSN6C21H28 ABC6D21E28 7.15 1.92 -8.68 -0.87 1
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42723 8149914 1 OSN6C21H29 ABC6D21E29 25.13 5.91 0.0 0.0 0
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42724 8149917 1 OSN3C21H29 ABC3D21E29 -41.05 2.96 -8.58 -0.83 1
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42725 8149918 1 OSN3C21H30 ABC3D21E30 -27.33 6.74 0.0 0.0 0
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42726 8149919 1 OSN3C21H29 ABC3D21E29 -42.3 2.97 -8.55 -0.79 0
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42727 8149921 1 OSN3C21H29 ABC3D21E29 -42.26 3.44 -8.56 -0.79 1
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42728 8149922 1 OSN3C21H30 ABC3D21E30 -26.88 7.9 0.0 0.0 0
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42729 8149923 1 OSN3C21H29 ABC3D21E29 -35.96 0.86 -8.67 -0.94 1
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42730 8149924 1 OS2N3C20H24 AB2C3D20E24 27.54 14.8 0.0 0.0 0
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42731 8149925 1 OS2N3C20H23 AB2C3D20E23 14.04 4.25 -8.63 -0.96 1
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42732 8149928 1 SN3O4C18H26 AB3C4D18E26 -150.36 19.64 0.0 0.0 0
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42733 8149929 1 SN3O4C18H25 AB3C4D18E25 -163.97 8.07 -9.06 -1.32 1
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42734 8149930 1 BrOSN3C19H21 ABCD3E19F21 23.03 10.8 0.0 0.0 0
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42735 8149931 1 BrOSN3C19H20 ABCD3E19F20 7.4 6.34 -8.86 -1.03 1
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42736 8149932 1 SN3O3C18H26 AB3C3D18E26 -118.81 17.34 0.0 0.0 1
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42737 8149934 1 SN3O3C18H26 AB3C3D18E26 -118.8 17.19 0.0 0.0 0
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42738 8149935 1 SN3O3C18H25 AB3C3D18E25 -132.42 6.06 -8.97 -1.24 1
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42739 8149936 1 OS2N3C18H22 AB2C3D18E22 19.8 14.93 0.0 0.0 0
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42740 8149937 1 OS2N3C18H21 AB2C3D18E21 5.01 4.54 -8.61 -0.97 1
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42741 8149940 1 OSN3C19H30 ABC3D19E30 -42.41 7.34 0.0 0.0 0
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42742 8149941 1 OSN3C19H29 ABC3D19E29 -59.07 3.57 -8.56 -0.72 0
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42743 8149943 1 OSN3C19H29 ABC3D19E29 -58.71 3.32 -8.6 -0.76 0
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42744 8149945 1 SN3O3C23H29 AB3C3D23E29 -88.84 4.76 -8.43 -0.84 1
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42745 8149946 1 SN3O3C23H30 AB3C3D23E30 -70.34 3.76 0.0 0.0 0
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42746 8149947 1 SN3O3C23H29 AB3C3D23E29 -87.42 4.19 -8.42 -0.85 0
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42747 8149949 1 SN3O3C23H29 AB3C3D23E29 -87.62 3.15 -8.15 -0.69 1
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42748 8149950 1 SN3O3C23H30 AB3C3D23E30 -74.9 6.84 0.0 0.0 0
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42749 8149951 1 SN3O3C23H29 AB3C3D23E29 -87.94 2.89 -8.27 -0.79 2
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42750 8149952 1 OSN5C22H29 ABC5D22E29 66.95 13.56 -5.16 -1.58 0
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42751 8149953 1 OSN5C22H27 ABC5D22E27 6.45 1.67 -8.63 -0.97 0
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42752 8149955 1 OSN5C22H27 ABC5D22E27 7.61 3.18 -8.61 -0.87 0
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42753 8149957 1 OSN5C22H27 ABC5D22E27 6.08 1.86 -8.66 -0.92 2