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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166844 74742615 1 S2N3O4C25H30 A2B3C4D25E30 -72.77 8.85 0.0 0.0 1
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166845 74742616 1 SN3O3C26H28 AB3C3D26E28 -32.0 5.16 0.0 0.0 0
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166846 74742665 1 ClN4O6C21H29 AB4C6D21E29 -237.03 4.5 -9.38 -0.55 -1
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166847 74743416 1 OSN6H23C25 ABC6D23E25 180.33 8.84 0.0 0.0 1
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166848 74743605 1 BrN2O3C25H28 AB2C3D25E28 -35.74 6.26 0.0 0.0 -1
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166849 74743974 1 N4O7H13C22 A4B7C13D22 19.28 4.89 0.0 0.0 -1
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166850 74743975 1 N2O6C29H29 A2B6C29D29 -136.31 6.93 0.0 0.0 1
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166851 74743976 1 Cl2N2O4C23H25 A2B2C4D23E25 -105.49 6.46 0.0 0.0 1
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166852 74744955 1 SO2N6H25C27 AB2C6D25E27 99.5 12.65 0.0 0.0 1
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166853 74744956 1 O2N3C15H28 A2B3C15D28 -100.56 1.68 0.0 0.0 2
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166854 74744957 1 OSN5C13H21 ABC5D13E21 77.85 11.76 -6.13 -0.61 1
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166855 74744979 1 O3N4C26H27 A3B4C26D27 33.38 16.77 0.0 0.0 2
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166856 74744982 1 OSN4C12H18 ABC4D12E18 52.4 1.18 -7.42 -0.67 1
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166857 74744983 1 OSN4C12H17 ABC4D12E17 57.67 2.92 0.0 0.0 1
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166858 74745027 1 S2N4O4C22H29 A2B4C4D22E29 -81.61 8.3 0.0 0.0 1
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166859 74745028 1 ClN2O3H24C25 AB2C3D24E25 -52.11 2.16 0.0 0.0 1
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166860 74745029 1 O2N9C27H28 A2B9C27D28 163.71 6.19 0.0 0.0 1
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166861 74745030 1 S2N4O4C23H31 A2B4C4D23E31 -90.37 4.38 0.0 0.0 1
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166862 74745031 1 FS2O3N4C26H28 AB2C3D4E26F28 -59.17 3.65 0.0 0.0 -1
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166863 74745224 1 N2O7H27C29 A2B7C27D29 -88.93 13.27 0.0 0.0 1
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166864 74745430 1 ClF3N3O3C21H22 AB3C3D3E21F22 -239.14 4.5 0.0 0.0 1
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166865 74745650 1 FSO2N3C23H23 ABC2D3E23F23 -45.15 3.4 0.0 0.0 0
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166866 74746029 1 SN3O5H19C21 AB3C5D19E21 -21.91 10.01 -8.3 -1.57 -1
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166867 74746195 1 FN2O5H20C27 AB2C5D20E27 -59.54 14.61 0.0 0.0 0
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166868 74746204 1 N3O5C26H29 A3B5C26D29 -144.5 5.54 -8.82 -1.12 1
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166869 74746450 1 SN4O4C16H25 AB4C4D16E25 -128.51 6.08 0.0 0.0 1
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166870 74746643 1 ClN2C16H20 AB2C16D20 42.27 6.42 0.0 0.0 0
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166871 74746858 1 FN2O7C22H25 AB2C7D22E25 -321.37 2.29 -9.32 -1.23 1
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166872 74747155 1 SO2N5C25H32 AB2C5D25E32 7.74 3.57 0.0 0.0 1
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166873 74747156 1 SO2N5C23H28 AB2C5D23E28 59.13 5.22 0.0 0.0 1
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166874 74747436 1 N3O3C22H24 A3B3C22D24 -27.23 8.29 0.0 0.0 1
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166875 74747437 1 SO3N4C27H37 AB3C4D27E37 -95.34 7.06 0.0 0.0 1
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166876 74747706 1 ON6C19H25 AB6C19D25 30.63 4.11 0.0 0.0 1
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166877 74747707 1 FO3N4C27H32 AB3C4D27E32 -100.04 5.48 0.0 0.0 1
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166878 74748268 1 O2N5H20C21 A2B5C20D21 55.73 5.08 0.0 0.0 1
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166879 74748269 1 O2N5H20C21 A2B5C20D21 56.09 6.81 0.0 0.0 1
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166880 74748270 1 ClO2N5C25H25 AB2C5D25E25 53.98 9.95 0.0 0.0 1
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166881 74748642 1 SN3O5C25H32 AB3C5D25E32 -143.55 10.04 0.0 0.0 1
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166882 74748870 1 FOSN4C21H24 ABCD4E21F24 28.64 5.24 0.0 0.0 1
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166883 74749361 1 ClO2N3C15H19 AB2C3D15E19 -46.33 4.23 0.0 0.0 1
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166884 74749866 1 N3O4C26H32 A3B4C26D32 -88.6 7.61 0.0 0.0 1
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166885 74749867 1 ClSF3N3O3C17H24 ABC3D3E3F17G24 -267.15 2.97 0.0 0.0 0
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166886 74750035 1 SN3O6C21H21 AB3C6D21E21 -175.08 12.03 -9.36 -1.51 1
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166887 74750114 1 FO2N4H16C20 AB2C4D16E20 10.18 6.38 0.0 0.0 1
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166888 74750631 1 O2N3C29H32 A2B3C29D32 10.23 4.41 0.0 0.0 1
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166889 74750936 1 ON3C18H20 AB3C18D20 46.8 9.81 0.0 0.0 1
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166890 74750971 1 OSN3C19H22 ABC3D19E22 48.7 4.52 0.0 0.0 1
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166891 74750972 1 O2N3C19H24 A2B3C19D24 -38.84 5.27 0.0 0.0 1
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166892 74750973 1 ON3C20H22 AB3C20D22 43.24 4.53 0.0 0.0 1
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166893 74750974 1 OS2N3C18H22 AB2C3D18E22 36.15 10.53 0.0 0.0 1