List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
136812 52105500 1 O2N5C11H17 A2B5C11D17 0.23 1.46 -8.61 -0.28 0
136813 52105501 1 ON6C14H16 AB6C14D16 78.66 2.0 -8.7 -0.45 0
136814 52105502 1 ON6C14H16 AB6C14D16 78.59 1.82 -8.66 -0.48 -1
136815 52105735 1 SN2F3O4H10C19 AB2C3D4E10F19 -206.01 6.38 0.0 0.0 0
136816 52105957 1 SN2O4H18C21 AB2C4D18E21 -92.7 6.22 -9.63 -1.95 0
136817 52105958 1 SN2O4H16C20 AB2C4D16E20 -87.81 5.32 -9.8 -2.01 -1
136818 52105959 1 ClSN2O4H12C19 ABC2D4E12F19 -52.29 6.04 0.0 0.0 0
136819 52106958 1 NO3C19H23 AB3C19D23 -90.56 2.97 -8.42 -0.09 0
136820 52106959 1 NO3C19H23 AB3C19D23 -91.89 3.81 -8.54 -0.14 0
136821 52107204 1 ClN2O3H13C15 AB2C3D13E15 -64.76 5.92 -9.15 -0.69 0
136822 52107531 1 O2N3C22H25 A2B3C22D25 6.02 4.81 -8.39 -0.55 0
136823 52107955 1 SN2O2C20H24 AB2C2D20E24 -20.73 2.66 -8.4 -0.27 1
136824 52108088 1 N7C18H22 A7B18C22 84.35 2.7 0.0 0.0 1
136825 52108245 1 O2N4C17H19 A2B4C17D19 -3.83 5.35 0.0 0.0 0
136826 52108262 1 N4C15H20 A4B15C20 37.81 2.79 -8.1 -0.2 1
136827 52108263 1 N4C15H21 A4B15C21 41.2 3.75 0.0 0.0 0
136828 52108264 1 N4C15H20 A4B15C20 39.05 2.71 -8.09 -0.2 1
136829 52108420 1 ON4C16H17 AB4C16D17 36.25 3.04 0.0 0.0 1
136830 52109033 1 ON4C18H29 AB4C18D29 -20.78 3.14 0.0 0.0 1
136831 52109114 1 N4C18H25 A4B18C25 34.32 4.6 0.0 0.0 0
136832 52109266 1 Cl2N4H18C19 A2B4C18D19 61.05 4.95 -8.56 -0.79 0
136833 52109269 1 Cl2N4H18C19 A2B4C18D19 59.96 4.05 -8.47 -0.82 0
136834 52109487 1 ClON5C23H26 ABC5D23E26 39.41 0.99 -8.34 -0.54 0
136835 52109555 1 O2N4C15H20 A2B4C15D20 -24.1 2.83 -8.58 -0.67 1
136836 52109556 1 O2N4C15H21 A2B4C15D21 -37.42 3.83 0.0 0.0 0
136837 52109635 2 ON2C11H12 AB2C11D12 1.28 3.58 -8.02 -0.51 0
136838 52110137 2 ON2C9H10 AB2C9D10 -6.12 1.21 -8.04 -0.67 1
136839 52110777 1 O3N4H19C21 A3B4C19D21 -6.67 3.1 0.0 0.0 0
136840 52110778 1 O3N4H18C21 A3B4C18D21 -8.23 2.2 -8.41 -0.71 0
136841 52110779 1 O3N4H16C20 A3B4C16D20 -7.92 10.42 -8.77 -0.94 1
136842 52110780 1 O2N5H18C20 A2B5C18D20 33.83 4.7 0.0 0.0 0
136843 52110781 1 O2N5H17C20 A2B5C17D20 33.19 4.6 -8.54 -0.81 1
136844 52111216 1 O2N4C17H25 A2B4C17D25 -44.4 5.12 0.0 0.0 0
136845 52111217 1 O2N4C17H24 A2B4C17D24 -43.57 3.53 -8.28 -0.28 1
136846 52111218 1 O2N4C17H25 A2B4C17D25 -46.39 6.93 0.0 0.0 0
136847 52111219 1 O2N4C17H24 A2B4C17D24 -45.02 4.87 -8.27 -0.22 1
136848 52111474 1 N5C20H24 A5B20C24 106.28 3.61 0.0 0.0 0
136849 52112082 2 ON2C12H12 AB2C12D12 17.75 4.86 -8.38 -0.69 1
136850 52112114 1 N4C28H31 A4B28C31 85.7 2.17 0.0 0.0 0
136851 52112115 2 N2C14H15 A2B14C15 84.11 3.29 -8.1 -0.18 1
136852 52112116 1 N4C25H25 A4B25C25 99.16 3.16 0.0 0.0 0
136853 52112233 1 ON4C24H24 AB4C24D24 61.88 3.73 -8.41 -0.49 1
136854 52112234 1 ON4C24H25 AB4C24D25 57.73 3.48 0.0 0.0 0
136855 52112439 1 ClSO2N3H14C23 ABC2D3E14F23 85.77 4.15 -9.18 -1.36 0
136856 52112912 1 ClS2N3O3C12H16 AB2C3D3E12F16 -101.18 4.39 -9.12 -1.6 0
136857 52113238 1 FN3O4H16C17 AB3C4D16E17 -111.53 1.45 -9.28 -0.62 0
136858 52113853 1 NSO3C9H17 ABC3D9E17 -140.79 4.85 -9.24 0.3 0
136859 52113959 1 ClNO3C14H16 ABC3D14E16 -127.63 2.63 -9.36 -0.78 1
136860 52114195 1 O2F3N4C24H26 A2B3C4D24E26 -133.35 7.0 0.0 0.0 2
136861 52114513 1 O2F3N5C23H32 A2B3C5D23E32 -149.85 32.6 -6.14 -1.3 0
136862 52114514 1 O2F3N5C23H30 A2B3C5D23E30 -175.18 3.54 -8.72 -1.31 1
136863 52114515 1 F3O3N5C22H29 A3B3C5D22E29 -193.8 11.32 0.0 0.0 0
136864 52115229 1 N4O4C27H28 A4B4C27D28 -93.35 6.24 -9.36 -1.11 0
136865 52115230 1 O3N5C24H33 A3B5C24D33 -89.84 5.97 -9.09 -0.84 0
136866 52115625 1 FO2N3C20H24 AB2C3D20E24 -88.95 4.98 -9.35 -0.93 0
136867 52115692 1 FO3N5C22H28 AB3C5D22E28 -127.7 5.6 -9.13 -1.09 0
136868 52115693 1 FO4N5C23H30 AB4C5D23E30 -158.65 4.87 -9.12 -1.01 0
136869 52115950 1 O2N4C25H28 A2B4C25D28 -7.87 5.45 -8.33 -0.85 0
136870 52116350 2 ON2C9H12 AB2C9D12 -29.08 3.58 -8.84 -0.87 0
136871 52116414 1 ClSO2N3H16C18 ABC2D3E16F18 -3.65 2.52 -9.16 -1.15 0
136872 52116415 1 ClO2N3H20C21 AB2C3D20E21 -16.07 2.01 -9.4 -1.04 0
136873 52116416 1 ClO2N3H20C21 AB2C3D20E21 -15.75 3.76 -9.53 -1.13 1
136874 52117160 1 O3N4C19H27 A3B4C19D27 -74.6 5.36 0.0 0.0 0
136875 52117610 1 SO2N3C20H21 AB2C3D20E21 -13.18 5.13 -9.11 -0.79 0
136876 52117611 1 O2N3C23H25 A2B3C23D25 -25.98 4.64 -9.18 -0.9 0
136877 52117742 1 O2N3C24H27 A2B3C24D27 -28.71 6.01 -8.95 -0.78 0
136878 52117743 1 O2N3C24H27 A2B3C24D27 -28.26 3.6 -8.94 -0.79 0
136879 52117744 1 O2N3C24H27 A2B3C24D27 -33.89 7.18 -8.96 -0.78 0
136880 52117745 1 O2N3C24H27 A2B3C24D27 -33.83 5.34 -8.95 -0.79 0
136881 52118276 1 FO3N4C18H19 AB3C4D18E19 -113.06 1.6 -9.09 -1.39 0
136882 52118434 1 N4O5C20H22 A4B5C20D22 -150.83 5.87 -9.35 -1.0 0
136883 52118762 2 N2O3C12H12 A2B3C12D12 -167.99 7.34 -9.2 -1.15 0
136884 52118984 1 F2O3N4H18C21 A2B3C4D18E21 -135.32 2.41 -8.95 -1.55 0
136885 52118985 1 ClFO3N4H18C21 ABC3D4E18F21 -94.36 1.03 -9.42 -1.45 0
136886 52118986 1 BrFO3N4H18C21 ABC3D4E18F21 -85.8 4.74 -8.96 -1.59 0
136887 52118987 1 FO3N4C24H25 AB3C4D24E25 -101.64 2.64 -8.71 -1.44 0
136888 52119176 1 N4O5C23H24 A4B5C23D24 -120.67 1.85 -8.36 -1.21 0
136889 52119177 1 ClO3N4H21C22 AB3C4D21E22 -56.27 6.37 -9.03 -1.43 0
136890 52119596 1 N4O5C20H20 A4B5C20D20 -106.85 6.02 -8.58 -1.08 0
136891 52119646 1 O3N4C18H22 A3B4C18D22 -69.71 4.96 -8.91 -1.15 0
136892 52119665 1 ClN4O5H19C21 AB4C5D19E21 -113.98 5.8 -8.34 -1.42 0
136893 52119881 1 FO3N5H20C21 AB3C5D20E21 -70.78 2.45 -8.11 -1.58 0
136894 52119956 1 FO3N4C20H23 AB3C4D20E23 -118.23 6.83 -8.98 -1.18 1
136895 52120037 1 FO3N5C26H31 AB3C5D26E31 -48.51 4.0 0.0 0.0 1
136896 52120149 1 FO2N4C24H26 AB2C4D24E26 -28.02 10.59 0.0 0.0 0
136897 52120218 1 F2O2N5C25H27 A2B2C5D25E27 -69.58 5.07 -8.95 -1.0 1
136898 52120219 1 F2O2N5C25H28 A2B2C5D25E28 -63.14 8.58 0.0 0.0 0
136899 52120220 1 F2O2N5C25H27 A2B2C5D25E27 -73.77 4.27 -8.88 -1.02 1
136900 52120221 1 ClFO2N5C25H28 ABC2D5E25F28 -24.08 10.81 0.0 0.0 0
136901 52120222 1 ClFO2N5C25H27 ABC2D5E25F27 -34.22 3.81 -8.91 -0.94 0
136902 52120748 1 O3N5C27H33 A3B5C27D33 -24.6 5.66 -8.28 -0.67 0
136903 52120876 1 FN4O4C23H29 AB4C4D23E29 -163.18 6.85 -8.86 -0.97 1
136904 52120877 1 FN4O4C23H30 AB4C4D23E30 -154.23 10.48 0.0 0.0 0
136905 52120884 1 FO3N6C26H35 AB3C6D26E35 -118.56 4.79 -8.91 -1.03 0
136906 52121426 1 O3N5C26H37 A3B5C26D37 -68.11 2.76 -8.6 -0.93 1
136907 52121427 1 O3N5C27H34 A3B5C27D34 -12.25 6.79 0.0 0.0 0
136908 52121482 1 N5O5C28H31 A5B5C28D31 -109.39 6.05 -9.22 -1.12 0
136909 52121710 2 ON2C11H16 AB2C11D16 -47.28 6.38 -8.85 -0.61 1
136910 52121711 1 O2N4C23H35 A2B4C23D35 -43.81 10.79 0.0 0.0 0
136911 52121712 1 O2N4C23H34 A2B4C23D34 -54.74 4.46 -8.87 -0.58 1