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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22882 599386 1 O2F3C12H13 A2B3C12D13 -237.22 4.62 -10.57 -1.08 0
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22883 599424 1 ClO2F3H8C14 AB2C3D8E14 -196.25 2.43 -9.55 -1.54 0
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22884 599431 1 O3F6H8C16 A3B6C8D16 -388.09 0.46 -10.93 -1.54 0
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22885 599438 1 O2F3H9C11 A2B3C9D11 -202.46 4.76 -10.59 -1.16 0
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22886 599442 1 BrNF3O4H9C16 ABC3D4E9F16 -184.04 6.14 -10.56 -2.21 0
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22887 599450 1 NF3O3H10C16 AB3C3D10E16 -225.06 7.32 -9.53 -1.42 0
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22888 599452 1 NF3O3H12C16 AB3C3D12E16 -238.74 0.9 -9.51 -1.4 0
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22889 599453 1 NF3O3H14C17 AB3C3D14E17 -246.89 0.95 -9.48 -1.4 0
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22890 599454 1 ON3F6H9C14 AB3C6D9E14 -283.43 3.8 -9.73 -1.15 0
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22891 599455 1 ON3F6H9C14 AB3C6D9E14 -284.02 1.8 -9.75 -1.15 0
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22892 599459 1 ClON3F6H8C14 ABC3D6E8F14 -292.11 2.26 -9.75 -1.44 0
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22893 599472 1 ClNF3O4H9C16 ABC3D4E9F16 -195.6 5.02 -10.74 -2.08 0
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22894 599537 1 OCl2N2H14C19 AB2C2D14E19 46.49 3.54 -8.7 -1.04 0
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22895 599580 1 NOBr2Cl2H7C13 ABC2D2E7F13 -7.81 2.94 -9.22 -1.27 0
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22896 599581 1 OCl2F3H7C14 AB2C3D7E14 -161.02 2.74 -10.2 -1.45 0
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22897 599590 1 NCl2O2H13C20 AB2C2D13E20 4.96 1.91 -8.99 -1.35 0
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22898 599593 1 O3Cl4H6C14 A3B4C6D14 -82.96 3.41 -9.81 -1.69 0
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22899 599601 1 BrNO2Cl3H11C20 ABC2D3E11F20 -23.63 2.21 -9.26 -1.25 0
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22900 599603 1 SCl2N2O2H10C15 AB2C2D2E10F15 -17.19 2.94 -8.67 -1.24 0
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22901 599627 1 BrNOH4C5 ABCD4E5 -1.62 0.95 -9.52 -0.72 0
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22902 599635 1 Cl3H7C8 A3B7C8 -15.59 2.03 -9.56 -0.72 0
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22903 599639 1 NOSCl2F3H10C20 ABCD2E3F10G20 -132.69 5.83 -8.72 -1.13 0
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22904 599805 1 ON2C10H10 AB2C10D10 -11.75 7.14 -9.02 -0.6 0
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22905 599806 1 ON5C13H17 AB5C13D17 13.94 7.11 -8.42 -0.22 0
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22906 599807 2 ClNOC5H5 ABCD5E5 -41.88 4.49 -9.32 -0.67 0
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22907 599808 1 ON4C11H12 AB4C11D12 18.14 7.57 -9.12 -0.79 0
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22908 599811 1 N2C13H20 A2B13C20 15.41 0.77 -8.71 0.4 0
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22909 599812 1 N2O4H6C11 A2B4C6D11 -55.87 3.32 -8.48 -1.69 0
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22910 599815 1 SCl2N2O3C10H10 AB2C2D3E10F10 -116.74 3.7 -9.05 -0.64 0
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22911 599822 1 NO5C9H15 AB5C9D15 -226.19 4.27 -10.39 -0.2 0
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22912 599827 1 NSiO4C10H21 ABC4D10E21 -232.14 1.33 -9.24 0.25 0
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22913 599836 1 ON2Si4C22H44 AB2C4D22E44 -216.92 3.28 -7.97 0.09 0
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22914 599838 1 NOSi3C17H35 ABC3D17E35 -183.57 0.14 -8.61 0.25 0
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22915 599839 1 N2O2Si5C25H52 A2B2C5D25E52 -312.33 2.93 -8.04 0.1 0
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22916 599885 1 NOPC16H34 ABCD16E34 -137.0 4.63 -8.59 1.51 0
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22917 599903 1 NSiO3H29C33 ABC3D29E33 -12.03 8.4 -9.03 -0.63 0
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22918 599912 1 NiC12H12 AB12C12 57.75 2.73 -7.59 0.28 -8
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22920 599916 1 NC26H37 AB26C37 -10.39 2.17 -9.01 0.42 0
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22921 599920 1 N2O3H16C18 A2B3C16D18 -59.4 8.29 -9.04 -1.03 0
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22922 599921 1 NO3C16H19 AB3C16D19 -95.94 3.38 -8.42 -0.78 0
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22923 599928 2 O2C10H15 A2B10C15 -207.33 1.08 -8.89 0.5 0
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22924 599947 1 ON2C10H10 AB2C10D10 42.53 4.09 -8.98 -1.28 0
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22925 599963 1 ON2C10H10 AB2C10D10 -7.98 2.87 -9.17 -0.99 0
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22926 599964 1 N2C11H14 A2B11C14 32.99 1.58 -8.62 0.3 0
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22927 599977 1 O2N3C11H13 A2B3C11D13 -37.31 4.43 -8.98 -0.91 0
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22928 599979 1 N9C18H23 A9B18C23 135.22 5.33 -8.26 -0.14 0
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22929 600016 1 NO2Si3C17H39 AB2C3D17E39 -265.49 2.91 -8.7 0.79 0
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22930 600017 1 NO2C18H27 AB2C18D27 -104.97 0.51 -8.77 0.34 0
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22931 600019 2 NOC11H12 ABC11D12 18.28 2.2 -8.73 0.17 0
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22932 600022 1 OSN2H10C12 ABC2D10E12 32.39 4.3 -10.07 -2.02 0
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22933 600023 1 NOC11H13 ABC11D13 -15.45 4.09 -8.31 -0.42 0
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22934 600024 1 NOC11H13 ABC11D13 -19.48 6.21 -8.47 -0.15 0
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22935 600046 1 OCl2N2H8C9 AB2C2D8E9 -28.37 7.19 -8.88 -0.44 0
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22936 600047 1 NCl2O2C9H9 AB2C2D9E9 -84.48 3.72 -9.14 -0.68 0
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22937 600061 1 NOC12H15 ABC12D15 -48.15 3.37 -8.66 0.04 0
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22938 600077 1 BrClON4H24C26 ABCD4E24F26 52.5 4.83 -8.01 -1.01 0
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22939 600078 1 INO2C13H14 ABC2D13E14 -52.89 3.35 -9.74 -1.42 0
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22940 600079 1 O3H12C13 A3B12C13 -89.29 2.59 -8.6 -0.52 0
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22941 600080 1 ClOSN2C8H9 ABCD2E8F9 -37.91 3.64 -8.25 -0.48 0
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22942 600081 1 O2N5C11H13 A2B5C11D13 -16.97 2.25 -9.52 -1.11 0
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22943 600084 1 NOSF6H13C15 ABCD6E13F15 -337.41 8.36 -8.96 -0.81 0
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22944 600085 1 ON2C13H18 AB2C13D18 -19.54 4.43 -8.01 0.02 0
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22945 600087 1 NO2C14H15 AB2C14D15 -70.17 5.5 -8.64 -0.26 0
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22946 600088 1 O2N3C15H19 A2B3C15D19 -42.94 0.49 -9.1 -0.99 0
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22947 600090 1 ON3C13H19 AB3C13D19 -25.14 5.97 -8.52 0.17 0
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22948 600091 1 O2N3C12H15 A2B3C12D15 -42.75 4.84 -8.86 -0.22 0
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22949 600105 1 SN3O3C10H13 AB3C3D10E13 -97.33 1.93 -8.87 -0.72 0
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22950 600106 1 CoC15H17 AB15C17 45.72 9.01 -11.32 -4.62 -9
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22951 600109 2 C5F6 A5B6 -469.33 0.97 -11.22 -1.45 0
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22952 600110 2 C5F6 A5B6 -494.4 0.6 -11.48 -1.4 0
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22953 600111 1 NSO2C16H19 ABC2D16E19 -86.13 5.06 -8.96 -0.5 0
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22954 600112 1 NSiO3C15H21 ABC3D15E21 -163.63 1.24 -8.26 -0.04 0
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22955 600122 1 O3C34H48 A3B34C48 -167.13 6.46 -9.52 -0.73 0
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22956 600123 1 OC21H34 AB21C34 -105.64 3.62 -9.53 0.84 0
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22957 600124 1 OC13H18 AB13C18 -23.45 1.48 -8.62 0.36 0