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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