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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424717 135123695 1 IN2O2C5H5 AB2C2D5E5 -33.25 6.18 -10.46 -2.27 0
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424718 135123700 2 NO3C9H9 AB3C9D9 -114.68 11.65 -8.58 -1.74 1
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424719 135123704 1 SN5O7C35H48 AB5C7D35E48 -177.52 11.37 0.0 0.0 0
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424720 135123705 1 FSO3N6C35H39 ABC3D6E35F39 -38.16 3.67 -8.43 -0.76 0
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424721 135123707 1 SO4N7C35H39 AB4C7D35E39 -31.79 4.67 -9.0 -1.17 0
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424722 135123710 1 SO4N7C35H41 AB4C7D35E41 -36.94 8.38 -8.67 -0.92 0
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424723 135123713 1 SO4N5C32H41 AB4C5D32E41 -84.51 3.46 -8.44 -0.55 0
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424724 135123714 1 SO4N5C32H39 AB4C5D32E39 -80.46 8.38 -8.94 -0.53 0
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424725 135123715 1 SO4N5C32H39 AB4C5D32E39 -79.91 9.26 -9.04 -0.58 0
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424726 135123716 1 SO4N5C32H41 AB4C5D32E41 -84.56 4.02 -8.47 -0.55 0
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424727 135123718 1 O3N5C33H35 A3B5C33D35 12.96 4.72 -8.55 -0.86 0
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424728 135123720 1 O2N4C27H30 A2B4C27D30 4.39 3.76 -8.5 -0.64 0
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424729 135123721 1 N3O4H27C29 A3B4C27D29 -31.64 2.3 -8.24 -0.64 0
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424730 135123724 1 N4O5C37H38 A4B5C37D38 -83.99 7.66 -8.72 -0.27 0
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424731 135123725 1 N4O5C37H38 A4B5C37D38 -86.56 5.38 -8.65 -0.42 0
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424732 135123729 2 BrNO2H5C7 ABC2D5E7 13.36 2.22 -8.24 -1.83 0
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424733 135123736 1 N3O3H29C30 A3B3C29D30 -9.99 4.35 -8.4 -0.65 0
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424734 135123737 1 N3O4C21H25 A3B4C21D25 -104.39 1.82 -8.88 -0.69 0
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424735 135123741 1 N4O4H28C33 A4B4C28D33 -9.99 2.7 -8.76 -0.83 0
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424736 135123743 1 SN3O3C33H33 AB3C3D33E33 -4.62 2.24 -8.51 -0.66 0
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424737 135123744 1 N3O3C22H27 A3B3C22D27 -71.18 3.87 -8.96 -0.42 0
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424738 135123745 1 BrSN2O4C27H29 ABC2D4E27F29 -85.15 4.61 -8.71 -0.87 0
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424739 135123747 1 BrSN2O4C27H29 ABC2D4E27F29 -86.65 3.54 -8.63 -0.73 0
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424740 135123757 1 FSN4O4C30H35 ABC4D4E30F35 -131.01 2.75 -8.47 -0.72 0
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424741 135123762 1 O2F3N4C35H41 A2B3C4D35E41 -170.83 6.04 -8.75 -0.37 0
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424742 135123764 1 F3O3N4C35H35 A3B3C4D35E35 -164.88 4.01 -8.48 -0.75 0
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424743 135123768 1 O2F3N4C35H41 A2B3C4D35E41 -171.17 4.78 -8.76 -0.42 0
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424744 135123775 1 SO5N7C33H41 AB5C7D33E41 -119.62 6.79 -9.1 -1.0 0
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424745 135123777 1 SO5N7C33H41 AB5C7D33E41 -120.38 10.16 -9.0 -0.98 0
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424746 135123786 1 SF3O4N7C35H36 AB3C4D7E35F36 -183.96 9.65 -9.26 -1.11 0
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424747 135123787 1 S2O6N7C37H43 A2B6C7D37E43 -110.37 2.9 -9.29 -1.63 0
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424748 135123792 1 SN5O8C36H43 AB5C8D36E43 -253.62 1.64 -9.34 -0.87 0
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424749 135123794 1 SN4O4C33H40 AB4C4D33E40 -91.0 3.52 -8.88 -0.56 0
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424750 135123795 1 SN5O8C36H45 AB5C8D36E45 -256.36 5.93 -8.52 -0.53 0
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424751 135123796 1 SN4O4C33H40 AB4C4D33E40 -96.27 11.15 -8.72 -0.68 0
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424752 135123798 1 SN4O4C33H42 AB4C4D33E42 -92.73 4.19 -8.34 -0.29 0
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424753 135123799 1 SN2F3O4H27C28 AB2C3D4E27F28 -251.68 8.76 -9.5 -1.2 0
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424754 135123801 1 SO5N6C38H46 AB5C6D38E46 -106.23 10.74 -8.31 -0.9 0
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424755 135123811 1 SO4N8C35H42 AB4C8D35E42 -38.44 6.15 -8.88 -1.09 0
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424756 135123816 1 FSO3N6C35H37 ABC3D6E35F37 -49.24 4.5 -9.0 -0.8 0
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424757 135123817 1 FSO3N6C35H39 ABC3D6E35F39 -50.7 6.46 -8.46 -0.53 0
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424758 135123825 1 SO4N10C30H32 AB4C10D30E32 52.73 8.36 -9.1 -1.22 0
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424759 135123831 1 SO4N6C32H40 AB4C6D32E40 -81.31 4.94 -9.22 -0.74 0
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424760 135123832 1 SO5N7C35H39 AB5C7D35E39 -65.26 7.1 -8.89 -1.1 0
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424761 135123833 1 SO4N6C32H40 AB4C6D32E40 -83.79 2.0 -9.1 -0.77 0
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424762 135123834 1 SO5N7C35H41 AB5C7D35E41 -70.39 6.67 -8.38 -0.69 0
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424763 135123836 1 SO5N6C34H44 AB5C6D34E44 -127.92 3.87 -8.37 -0.46 0
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424764 135123837 1 SO4N8C33H38 AB4C8D33E38 -11.86 7.29 -8.96 -1.25 0
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424765 135123840 1 SO5N6C34H42 AB5C6D34E42 -117.62 13.36 -8.96 -0.56 0
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424766 135123844 1 SO4N8C33H40 AB4C8D33E40 -19.41 5.29 -8.53 -0.76 0
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424767 135123852 1 SF3N4O4C34H39 AB3C4D4E34F39 -255.35 11.04 -8.7 -1.21 0
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424768 135123858 1 SO4N8C39H46 AB4C8D39E46 -19.05 6.15 -9.15 -0.89 0
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424769 135123860 1 SO4N8C39H48 AB4C8D39E48 -25.33 6.81 -8.37 -0.69 0
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424770 135123863 1 ON7C37H45 AB7C37D45 68.11 7.4 -8.91 -0.77 0
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424771 135123867 1 SO4N9C33H39 AB4C9D33E39 9.42 7.55 -9.27 -0.95 0
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424772 135123868 1 FNSC10H12 ABCD10E12 -29.43 3.75 -8.6 -0.44 0
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424773 135123869 1 SO4N9C33H41 AB4C9D33E41 4.5 7.86 -8.24 -0.78 0
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424774 135123875 1 SO4N9C34H41 AB4C9D34E41 -19.65 5.08 -8.48 -0.93 0
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424775 135123878 1 SO4N9C34H41 AB4C9D34E41 -21.0 2.5 -8.48 -0.7 0
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424776 135123880 1 N4O5C38H40 A4B5C38D40 -89.44 3.73 -8.68 -0.42 0
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424777 135123883 1 N4O5C38H40 A4B5C38D40 -88.89 2.3 -8.7 -0.43 0
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424778 135123886 1 N3O4C30H35 A3B4C30D35 -81.98 9.07 -8.75 -0.3 0
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424779 135123892 1 CO3H4N4 AB3C4D4 -22.02 2.46 -10.7 -1.4 0
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424780 135123893 1 CO3N4H6 AB3C4D6 -59.58 2.22 -10.72 -0.8 0
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424781 135123895 1 SN3O3C24H27 AB3C3D24E27 -24.74 6.09 -8.75 -0.55 0
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424782 135123896 1 N6O13C25H34 A6B13C25D34 -521.51 11.75 -9.33 -1.32 0
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424783 135123903 1 O3N5C19H25 A3B5C19D25 -47.28 2.19 -8.87 -0.3 0
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424784 135123909 1 O4N5C28H35 A4B5C28D35 -60.22 5.79 -8.87 -0.32 0
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424785 135123913 1 SN3O4C29H35 AB3C4D29E35 -82.81 5.87 -8.8 -0.27 0
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424786 135123914 1 ClSO4N8C35H39 ABC4D8E35F39 -19.97 6.46 -9.15 -1.02 0
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424787 135123915 1 ClSN3O4C28H32 ABC3D4E28F32 -73.8 2.71 -8.56 -0.6 2
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424789 135123920 1 SO4N6C35H46 AB4C6D35E46 -83.41 5.95 -8.96 -0.6 0
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424790 135123927 1 SN5O5C36H45 AB5C5D36E45 -126.78 5.92 -9.24 -0.79 0
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424791 135123930 1 BrNSF3O4C21H23 ABCD3E4F21G23 -256.47 5.27 -8.42 -1.38 0
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424792 135123936 1 SO4N8C33H40 AB4C8D33E40 -36.76 4.65 -8.59 -0.84 0
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424793 135123942 1 SO4N8C33H40 AB4C8D33E40 -36.9 3.29 -8.69 -0.89 0
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424794 135123951 2 FON2C13H13 ABC2D13E13 -77.27 4.07 -8.64 -0.95 0
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424795 135123956 1 SO5N6C34H42 AB5C6D34E42 -108.24 12.15 -9.03 -1.04 0
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424796 135123957 1 SN3O6C19H19 AB3C6D19E19 -124.65 1.93 -9.38 -1.54 0
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424797 135123958 1 SO5N6C34H44 AB5C6D34E44 -113.98 2.66 -8.47 -0.67 0
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424798 135123966 1 SN3O3C21H27 AB3C3D21E27 -71.98 3.07 -8.86 -0.27 0
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424799 135123968 1 O3N5C35H39 A3B5C35D39 -3.59 2.8 -8.74 -0.46 0
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424800 135123969 1 ClFSN4O4H22C23 ABCD4E4F22G23 -123.74 2.99 -8.74 -1.43 0
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424801 135123971 1 O3N5C35H39 A3B5C35D39 -3.0 8.88 -8.62 -0.4 0
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424802 135123972 1 S2O3N8C34H40 A2B3C8D34E40 5.48 3.66 -9.05 -0.85 0
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424803 135123973 1 N3O4C28H31 A3B4C28D31 -74.76 2.26 -8.49 -0.55 0
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424804 135123982 1 N3O4C30H35 A3B4C30D35 -81.91 3.8 -8.8 -0.27 0
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424805 135123995 1 BrSO2C14H15 ABC2D14E15 -28.99 4.13 -8.73 -0.29 0
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424806 135124001 1 N2O3C14H16 A2B3C14D16 -80.89 4.32 -9.03 -0.91 0
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424807 135124012 1 NSO2C11H15 ABC2D11E15 -69.86 5.52 -9.77 -0.45 0
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424808 135124016 1 SN5O5C27H37 AB5C5D27E37 -65.81 4.39 -8.5 -0.63 0
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424809 135124020 2 NOC4H5 ABC4D5 3.46 5.86 -9.26 -1.11 0
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424810 135124024 1 ClSO4N5C30H36 ABC4D5E30F36 -80.31 1.77 -8.36 -0.58 0
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424811 135124025 1 SN3O3H13C15 AB3C3D13E15 49.84 4.77 -8.1 -1.72 0
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424812 135124026 1 ClSO4N5C30H34 ABC4D5E30F34 -73.66 6.96 -8.88 -0.62 0
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424813 135124031 1 FSO3N6C33H39 ABC3D6E33F39 -59.97 5.18 -8.86 -0.49 0
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424814 135124045 1 SO4N5C33H35 AB4C5D33E35 -42.66 9.32 -8.69 -0.8 0
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424815 135124050 1 N3O4C23H29 A3B4C23D29 -111.08 2.5 -8.48 -0.32 0
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424816 135124054 1 SF3O4N5H28C29 AB3C4D5E28F29 -192.03 5.9 -9.53 -1.1 0
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424817 135124056 1 N3O4C23H29 A3B4C23D29 -110.07 4.77 -8.59 -0.46 0