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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84873 49870451 2 NO2C15H19 AB2C15D19 -119.01 3.88 -8.9 -0.56 0
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84874 49870520 1 OS2N6H8C14 AB2C6D8E14 183.21 2.32 -8.61 -1.74 0
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84875 49870524 2 O3N4C21H25 A3B4C21D25 -148.52 4.59 -8.52 -0.92 0
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84876 49870536 1 ON7H17C21 AB7C17D21 94.25 2.47 -9.12 -1.28 0
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84878 49870544 1 Cl2O2N6H30C31 A2B2C6D30E31 64.17 3.64 -8.79 -1.24 0
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84879 49870546 1 FSN5O11C37H46 ABC5D11E37F46 -435.95 6.65 -9.71 -0.57 0
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84880 49870550 1 NO5C26H37 AB5C26D37 -214.07 4.68 -9.53 0.03 0
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84881 49870557 1 O2N5H21C22 A2B5C21D22 30.5 7.24 -8.91 -0.75 0
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84882 49870558 1 ON5C21H21 AB5C21D21 88.6 5.6 -8.74 -0.49 0
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84883 49870559 1 ON7H19C22 AB7C19D22 99.08 3.36 -8.67 -1.07 0
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84884 49870562 1 SO2N3H21C26 AB2C3D21E26 48.56 8.59 -7.64 -0.9 0
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84885 49870563 1 OSN3H21C26 ABC3D21E26 92.64 4.95 -7.64 -0.98 0
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84886 49870565 1 SO2N3H19C25 AB2C3D19E25 56.73 8.33 -7.66 -0.96 0
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84887 49870567 1 BrNC54H96 ABC54D96 64.31 57.4 -4.73 -2.13 1
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84888 49870568 1 NC54H96 AB54C96 9.79 0.58 0.0 0.0 0
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84889 49870569 1 N2O10C65H110 A2B10C65D110 -433.6 3.81 -9.41 -0.24 0
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84890 49870570 2 NO5C32H54 AB5C32D54 -437.25 5.34 -9.38 -0.39 0
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84891 49870572 1 N3O4C28H35 A3B4C28D35 -124.57 6.0 -9.3 -0.42 0
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84892 49870573 1 SN2O5C28H36 AB2C5D28E36 -161.53 4.08 -9.35 -0.48 0
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84893 49870575 1 N2O6C29H34 A2B6C29D34 -175.57 5.99 -9.6 -0.74 0
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84894 49870585 1 F2O2N9C24H27 A2B2C9D24E27 -31.81 5.1 -9.07 -1.19 0
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84895 49870595 1 SO2N4F6C24H24 AB2C4D6E24F24 -326.01 10.17 -10.14 -1.41 0
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84896 49870597 4 NC4H5 AB4C5 41.87 3.46 -8.92 -0.7 0
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84897 49870598 1 OF3N3C18H20 AB3C3D18E20 -157.69 3.49 -8.89 -0.64 0
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84898 49870599 1 SO2N4C20H26 AB2C4D20E26 -17.99 4.47 -8.88 -0.51 0
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84899 49870600 1 ClON3H20C21 ABC3D20E21 26.43 3.18 -8.9 -0.66 0
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84900 49870603 1 FN3C16H18 AB3C16D18 -5.5 1.86 -8.94 -0.58 0
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84901 49870611 1 ON7H17C19 AB7C17D19 103.52 7.37 -9.12 -1.22 0
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84902 49870612 1 ON6H22C24 AB6C22D24 88.17 10.3 -9.11 -1.35 0
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84903 49870613 1 ON6H20C23 AB6C20D23 115.71 7.43 -9.13 -1.31 0
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84904 49870614 1 OF3N6H17C23 AB3C6D17E23 -38.01 7.41 -9.25 -1.67 0
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84905 49870615 1 OF3N6H15C21 AB3C6D15E21 -54.18 10.95 -9.31 -1.6 0
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84906 49870622 1 BrN2O3C36H57 AB2C3D36E57 -154.3 1.3 -8.24 -0.25 0
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84907 49870628 1 INCl2O2C36H54 ABC2D2E36F54 -60.29 65.97 -4.23 -3.33 0
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84909 49870631 1 FNO2C36H55 ABC2D36E55 -155.55 2.04 0.0 0.0 0
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84910 49870632 1 BrNO3C23H26 ABC3D23E26 -87.67 2.46 -8.15 -0.5 0
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84911 49870635 1 NO7C27H29 AB7C27D29 -229.84 3.26 -8.22 -1.52 0
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84912 49870636 1 NO6C26H31 AB6C26D31 -215.9 6.42 -8.21 -0.61 0
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84913 49870647 1 O11N13C39H59 A11B13C39D59 -374.28 9.01 -8.52 -0.72 0
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84914 49870649 1 N7O7C39H51 A7B7C39D51 -277.35 5.19 -8.83 -0.45 0
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84915 49870650 2 O3N4C20H25 A3B4C20D25 -196.32 5.95 -8.43 -0.44 0
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84916 49870651 1 O23C58H90 A23B58C90 -1087.68 3.14 -9.3 -0.27 0
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84917 49870653 1 OSN3C17H19 ABC3D17E19 8.01 3.95 -8.7 -0.98 0
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84918 49870655 1 ON4C17H20 AB4C17D20 34.51 5.62 -8.56 -0.59 0
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84920 49870671 1 FSN5O11C35H46 ABC5D11E35F46 -480.01 5.88 -9.71 -0.36 0
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84921 49870672 1 FSN5O11C36H46 ABC5D11E36F46 -453.77 4.26 -9.83 -0.45 0
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84922 49870673 1 NO5C26H37 AB5C26D37 -201.52 3.76 -9.02 0.07 0
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84923 49870674 1 NO6C26H37 AB6C26D37 -254.03 3.21 -9.79 -0.17 0
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84924 49870676 1 ClO5C22H25 AB5C22D25 -183.81 3.43 -9.38 -0.36 0
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84925 49870677 1 ClNO4C23H28 ABC4D23E28 -134.39 5.14 -9.43 -0.42 0
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84926 49870690 1 FOSN3H18C25 ABCD3E18F25 55.35 5.44 -7.83 -1.3 0
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84927 49870698 1 ON4C26H30 AB4C26D30 26.47 7.02 -8.0 -0.01 0
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84928 49870707 1 P3S4N15O23C45H60 A3B4C15D23E45F60 -1003.73 12.87 -8.91 -0.78 0
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84929 49870710 1 F2O3N9C25H29 A2B3C9D25E29 -78.69 2.34 -8.77 -1.15 0
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84930 49870715 1 ClO2N5C26H32 AB2C5D26E32 -39.95 7.22 -8.66 -0.59 0
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84931 49870718 1 ClO2N5C25H36 AB2C5D25E36 -81.82 5.95 -8.75 -0.03 0
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84932 49870731 1 ClFN3C16H17 ABC3D16E17 -13.15 3.51 -9.06 -0.93 0
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84933 49870770 1 BrO3N6H11C15 AB3C6D11E15 42.98 2.86 -9.08 -1.8 0
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84934 49870771 1 N10O13C38H54 A10B13C38D54 -571.96 5.2 -8.57 -0.3 0
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84935 49870786 1 O4N9C27H59 A4B9C27D59 -232.38 3.1 -8.98 0.34 0
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84936 49870787 1 O4N9C30H65 A4B9C30D65 -254.6 4.84 -8.86 0.52 0
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84937 49870792 1 OF2N7H15C21 AB2C7D15E21 -2.36 4.41 -9.54 -1.52 0
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84938 49870804 1 NO4C25H33 AB4C25D33 -122.96 4.7 -8.98 -0.37 0
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84939 49870807 1 ON4C26H26 AB4C26D26 39.92 3.37 -8.13 -0.73 0
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84940 49870812 2 ON3C8H10 AB3C8D10 -12.13 3.62 -8.83 -0.56 0
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84941 49870819 1 N3O3H19C25 A3B3C19D25 25.93 7.7 -7.98 -1.13 0
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84942 49870822 1 SeO2N3H19C25 AB2C3D19E25 59.55 5.11 -7.72 -1.14 0
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84943 49870828 1 OSN5H15C20 ABC5D15E20 120.55 3.99 -8.97 -1.7 0
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84944 49870829 1 O3C20H30 A3B20C30 -157.92 4.28 -9.99 -0.32 0
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84945 49870830 1 O8C25H34 A8B25C34 -329.62 7.37 -9.85 -0.82 0
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84946 49870866 1 NO4C23H45 AB4C23D45 -280.93 3.1 -10.34 0.34 0
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84947 49870867 2 O3N4C10H15 A3B4C10D15 -201.34 8.16 -9.08 -0.57 0
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84948 49870881 1 O3N4H20C23 A3B4C20D23 -1.69 2.4 -8.28 -0.69 0
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84949 49870882 1 FO2N4H17C22 AB2C4D17E22 -6.71 1.46 -8.77 -0.73 0
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84950 49870892 1 ClF3O3N4C19H20 AB3C3D4E19F20 -231.84 4.59 -8.93 -1.05 0
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84951 49870897 1 O4N7C31H31 A4B7C31D31 -0.28 10.23 -9.36 -0.85 0
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84952 49870900 1 O8C25H30 A8B25C30 -282.7 5.19 -8.37 -1.42 0
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84953 49870908 2 O3N4C21H21 A3B4C21D21 -79.55 2.97 -8.53 -0.64 0
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84954 49870909 1 SN4O4C22H22 AB4C4D22E22 -101.25 2.67 -8.58 -1.24 0
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84955 49870910 1 OSN8C29H30 ABC8D29E30 139.79 6.81 -8.79 -0.79 0
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84956 49870911 1 FO4N7H30C31 AB4C7D30E31 -51.53 8.18 -9.53 -0.76 0
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84957 49870927 1 N5O5C31H47 A5B5C31D47 -222.09 6.92 -8.63 0.2 0
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84958 49870928 2 O2N4C15H15 A2B4C15D15 4.05 3.85 -9.63 -0.83 0
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84959 49870929 1 SO3N6C30H30 AB3C6D30E30 42.05 4.95 -8.51 -1.62 0
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84960 49870932 1 BrOC24H35 ABC24D35 -81.9 1.78 -8.73 0.08 0
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84961 49870939 1 NPO10C17H22 ABC10D17E22 -414.09 6.66 -9.91 -1.57 0
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84962 49870959 1 O8N23C61H79 A8B23C61D79 -183.18 14.65 -8.57 -0.28 0
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84963 49870961 1 ClO2N3C20H20 AB2C3D20E20 -41.97 2.6 -9.05 -1.78 0
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84964 49870969 4 OC5H7 AB5C7 -170.45 7.03 -9.98 -0.5 0
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84965 49871009 2 O2C9H15 A2B9C15 -171.24 4.26 -9.7 0.68 0
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84966 49871010 1 N5O5C36H51 A5B5C36D51 -215.75 8.25 -9.21 -0.2 0
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84967 49871011 1 FO3N5C14H22 AB3C5D14E22 -131.18 3.38 -9.06 -0.63 0
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84968 49871012 1 ClSO3F4N7H24C32 ABC3D4E7F24G32 -150.96 11.77 -9.36 -1.75 1
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84969 49871013 1 N3O3F4H16C22 A3B3C4D16E22 -223.1 7.61 0.0 0.0 0
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84970 49871028 1 FO6N7C36H44 AB6C7D36E44 -234.11 11.45 -8.53 -1.18 0
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84971 49871031 6 O8C17H27 A8B17C27 -2127.58 5.81 -9.72 -0.94 0
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84972 49871034 1 NOC22H35 ABC22D35 -1.9 4.03 -9.1 0.01 0
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84973 49871043 1 ClN3H15C17 AB3C15D17 119.34 5.55 0.0 0.0 0
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84974 49871046 1 O5C20H24 A5B20C24 -187.57 5.55 -9.59 -0.16 0
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84975 49871075 1 BrO3C12H17 AB3C12D17 -118.42 2.14 -8.65 -0.2 0