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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165792 74599186 1 SO2N4C26H33 AB2C4D26E33 -40.99 13.4 0.0 0.0 0
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165793 74599259 1 FN2O2H13C17 AB2C2D13E17 -40.37 4.1 -8.94 -1.51 0
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165794 74599362 1 N2O3C20H20 A2B3C20D20 -69.37 8.61 -8.02 -0.66 0
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165795 74599392 1 FSO2N3H14C19 ABC2D3E14F19 -46.62 5.41 -8.98 -0.95 0
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165796 74599571 1 SO2N7C20H21 AB2C7D20E21 36.96 3.53 -8.61 -0.97 1
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165797 74599610 1 N3O3C23H30 A3B3C23D30 -66.32 4.32 0.0 0.0 1
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165798 74599611 1 SN3O3C26H38 AB3C3D26E38 -112.67 3.97 0.0 0.0 1
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165799 74599612 1 N3O3C26H34 A3B3C26D34 -42.13 5.35 0.0 0.0 0
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165800 74599812 1 O5N6C20H22 A5B6C20D22 -124.11 2.16 -9.81 -1.34 0
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165801 74599841 1 N4O5C24H28 A4B5C24D28 -174.67 6.24 -9.7 -0.95 0
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165802 74599842 1 N4O5C28H28 A4B5C28D28 -131.69 6.63 -9.71 -1.23 0
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165803 74599843 1 N2S2O5H22C23 A2B2C5D22E23 -127.71 3.78 -9.11 -0.93 1
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165804 74600357 1 SN2O3C11H19 AB2C3D11E19 -107.66 6.8 0.0 0.0 0
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165805 74600358 1 NO4C8H15 AB4C8D15 -199.29 5.01 -10.48 0.6 1
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165806 74600405 1 N2C26H27 A2B26C27 96.58 7.35 0.0 0.0 1
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165807 74600406 1 SN3O4C15H24 AB3C4D15E24 -146.58 6.18 0.0 0.0 0
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165808 74600407 1 SN3O6C11H13 AB3C6D11E13 -133.83 7.36 -9.88 -2.08 -1
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165809 74600408 1 SN3O8H18C19 AB3C8D18E19 -183.07 4.12 0.0 0.0 1
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165810 74600409 1 NOCl2C16H18 ABC2D16E18 -0.66 1.39 0.0 0.0 3
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165811 74600608 1 N3O7C12H28 A3B7C12D28 -240.08 9.22 0.0 0.0 0
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165812 74600661 2 ClO2C12H15 AB2C12D15 -138.64 5.81 -8.88 -1.0 0
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165813 74600762 3 NC5H7 AB5C7 22.06 1.47 -7.82 0.06 1
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165814 74600763 1 N2O2C17H23 A2B2C17D23 -37.86 1.19 0.0 0.0 -1
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165815 74600834 1 S2N5O7C14H16 A2B5C7D14E16 -143.08 2.45 0.0 0.0 1
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165816 74601262 1 ON2C15H19 AB2C15D19 -7.11 5.36 0.0 0.0 1
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165817 74601263 1 ON3C17H18 AB3C17D18 19.2 3.63 0.0 0.0 0
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165818 74601264 1 ClN5O5C21H22 AB5C5D21E22 -144.23 4.86 -9.87 -1.27 1
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165819 74601265 1 NC21H34 AB21C34 22.56 1.04 0.0 0.0 0
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165820 74601266 1 NC21H33 AB21C33 -0.83 1.76 -8.59 0.57 1
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165821 74601267 1 N5O5C24H36 A5B5C24D36 -131.55 6.87 0.0 0.0 0
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165822 74601705 1 NO4C6H13 AB4C6D13 -184.82 5.68 -9.97 1.28 1
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165823 74601706 1 N2O4C26H39 A2B4C26D39 -155.39 3.63 0.0 0.0 1
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165824 74601707 1 SN2O6C28H35 AB2C6D28E35 -164.27 4.71 0.0 0.0 1
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165825 74602563 1 N3O3C28H32 A3B3C28D32 -41.71 2.84 0.0 0.0 0
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165826 74602687 1 NSO6C13H21 ABC6D13E21 -251.22 12.57 -9.28 -0.57 0
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165827 74602688 1 SO4N6C22H24 AB4C6D22E24 -57.96 7.2 -8.98 -0.68 1
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165828 74602689 1 NO4C30H34 AB4C30D34 -48.31 1.18 0.0 0.0 0
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165829 74602690 1 SO4N5C24H25 AB4C5D24E25 -67.58 2.66 -9.19 -0.92 1
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165830 74602691 1 NO4C6H14 AB4C6D14 -157.33 2.98 0.0 0.0 -2
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165831 74603325 1 O4C13H14 A4B13C14 -132.36 0.18 -8.42 -0.08 -1
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165832 74603491 1 O2H15C19 A2B15C19 26.02 4.06 0.0 0.0 -1
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165833 74603492 1 O9C20H21 A9B20C21 -325.47 4.58 0.0 0.0 0
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165834 74603493 1 O9C27H28 A9B27C28 -327.26 6.57 -8.76 -0.84 -1
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165835 74603494 1 O2C15H23 A2B15C23 -78.27 3.82 0.0 0.0 1
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165836 74603811 1 NCl2O2C24H26 AB2C2D24E26 -15.4 4.69 0.0 0.0 0
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165837 74604012 1 BrFO3N4H14C20 ABC3D4E14F20 -38.49 4.53 -9.34 -1.28 0
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165838 74604050 1 S2O3N5C17H23 A2B3C5D17E23 -88.99 9.8 -9.27 -1.04 0
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165839 74604051 1 SO4N5C20H23 AB4C5D20E23 -117.52 4.97 -8.92 -0.63 0
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165840 74604173 1 O2S2N3C20H29 A2B2C3D20E29 -69.47 6.2 -8.68 -1.5 0
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165841 74604174 1 SN2O4C22H24 AB2C4D22E24 -136.74 6.19 -9.14 -1.47 0
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165842 74604175 2 SN2O2C9H9 AB2C2D9E9 -22.65 11.48 -9.42 -1.86 0
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165843 74604176 1 O2S2N3C19H27 A2B2C3D19E27 -73.44 6.57 -8.99 -1.28 1
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165844 74604177 1 ClNO7C23H25 ABC7D23E25 -231.73 5.95 0.0 0.0 0
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165845 74604226 2 NO3H12C13 AB3C12D13 -110.85 4.68 -8.71 -0.64 0
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165846 74604316 1 NO2C11H21 AB2C11D21 -107.07 11.37 -8.99 0.43 0
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165847 74604317 1 NO3C10H19 AB3C10D19 -148.93 8.67 -9.21 0.48 0
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165848 74604462 2 NO2C5H5 AB2C5D5 -105.81 3.22 -9.94 -1.79 0
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165849 74604724 1 ClNO3H14C18 ABC3D14E18 -40.47 6.75 -9.42 -1.33 0
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165850 74604818 1 NO5H23C26 AB5C23D26 -119.22 5.02 -8.7 -1.02 1
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165851 74605259 1 N3O4C20H22 A3B4C20D22 37.22 5.27 0.0 0.0 0
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165852 74605260 1 F2N2O5C23H26 A2B2C5D23E26 -257.43 4.97 -7.86 -1.17 1
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165853 74605362 1 SO2N4C22H33 AB2C4D22E33 -80.83 8.98 0.0 0.0 0
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165854 74605389 1 N3O5C23H23 A3B5C23D23 -132.74 4.85 -9.26 -1.65 -2
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165855 74605390 1 NPCl3O4H9C10 ABC3D4E9F10 -206.5 5.09 -9.96 -1.05 1
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165856 74605391 1 O2S2N4H23C26 A2B2C4D23E26 91.62 5.18 0.0 0.0 0
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165857 74605392 1 FNO7C25H30 ABC7D25E30 -266.33 4.53 -8.79 -1.19 0
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165858 74605657 1 SN3O4H17C22 AB3C4D17E22 -29.11 6.11 -8.78 -1.8 -1
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165859 74605824 1 N2Cl3O5H10C18 A2B3C5D10E18 -132.2 3.65 0.0 0.0 -1
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165860 74606002 1 ClNS2O3H17C20 ABC2D3E17F20 -8.01 6.16 0.0 0.0 0
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165861 74606095 1 N3O3C16H27 A3B3C16D27 -171.62 4.55 -9.53 0.08 0
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165862 74606211 1 OSN6C18H20 ABC6D18E20 109.62 4.96 -8.71 -1.67 0
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165863 74606575 1 BrClN3O4C20H25 ABC3D4E20F25 -179.97 4.47 -9.18 -0.73 -1
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165864 74606682 1 O3N5H16C22 A3B5C16D22 91.01 5.09 0.0 0.0 0
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165865 74606881 1 ClN3O3H18C23 AB3C3D18E23 -11.21 2.52 -9.44 -1.19 0
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165866 74606882 1 O4N5C26H39 A4B5C26D39 -169.42 5.68 -8.95 -0.33 0
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165867 74606883 1 SN3O3C21H21 AB3C3D21E21 -16.17 6.21 -9.13 -2.11 0
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165868 74607009 1 ClFOSN3H15C18 ABCDE3F15G18 10.14 2.56 -9.21 -1.0 1
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165869 74607145 1 BrO2N3C21H23 AB2C3D21E23 15.93 4.85 0.0 0.0 0
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165870 74607506 1 O4N5C26H35 A4B5C26D35 -127.89 1.19 -9.41 -0.09 1
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165871 74608311 1 O3N4C24H37 A3B4C24D37 -122.03 5.04 0.0 0.0 1
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165872 74608410 1 O2N3C28H42 A2B3C28D42 -29.4 4.19 0.0 0.0 1
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165873 74608411 1 SO2N6C22H29 AB2C6D22E29 -17.29 3.65 0.0 0.0 2
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165874 74608412 1 ON5C25H33 AB5C25D33 70.63 8.21 -5.07 -0.68 1
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165875 74608688 1 F2O2N4C21H31 A2B2C4D21E31 -149.76 4.07 0.0 0.0 1
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165876 74608769 1 ClSO2N5C22H23 ABC2D5E22F23 178.25 3.72 0.0 0.0 0
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165877 74608857 1 O3N4C30H42 A3B4C30D42 -106.85 5.59 -8.72 -0.06 0
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165878 74608997 1 N5O5C24H29 A5B5C24D29 -160.51 3.14 -9.74 -1.66 0
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165879 74609009 1 O3N10C22H34 A3B10C22D34 -15.67 11.21 -9.42 -1.28 0
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165880 74609010 1 SN4O4C21H32 AB4C4D21E32 -173.61 1.44 -9.26 -0.89 0
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165881 74609011 1 O3N5C19H29 A3B5C19D29 -120.19 8.21 -9.58 -0.75 0
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165882 74609012 1 N5O5C20H29 A5B5C20D29 -196.59 3.08 -9.83 -1.67 0
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165883 74609197 1 ClSN3O5C20H20 ABC3D5E20F20 -116.56 9.51 -8.98 -1.68 1
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165884 74609222 1 O3N4C21H27 A3B4C21D27 -71.75 1.25 0.0 0.0 0
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165885 74609262 1 SN5O5C20H23 AB5C5D20E23 -118.14 8.98 -9.34 -0.73 0
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165886 74609263 1 ClSN5O5C20H22 ABC5D5E20F22 -126.87 7.15 -9.33 -1.09 0
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165887 74609753 1 O3N5C19H27 A3B5C19D27 -79.75 5.06 -8.76 -0.29 1
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165888 74610200 1 F3O3N4H18C21 A3B3C4D18E21 -166.15 5.17 0.0 0.0 1
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165889 74610201 1 N4O4C22H23 A4B4C22D23 -48.02 2.12 0.0 0.0 1
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165890 74610343 1 O3N4C21H39 A3B4C21D39 -134.0 8.96 0.0 0.0 0
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165891 74610380 1 ClO2N6C21H25 AB2C6D21E25 -6.12 3.57 -9.16 -1.21 1