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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