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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166794 74734724 1 SO2N3C22H26 AB2C3D22E26 54.59 19.4 0.0 0.0 1
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166795 74734926 1 F3N3C17H19 A3B3C17D19 -84.85 3.13 0.0 0.0 0
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166796 74734927 1 F3N3C17H18 A3B3C17D18 -97.66 3.27 -9.18 -1.0 1
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166797 74734928 1 OF3N3C22H23 AB3C3D22E23 -85.84 4.28 0.0 0.0 0
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166798 74734929 1 OF3N3C22H22 AB3C3D22E22 -103.93 4.15 -9.18 -0.98 1
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166799 74735261 1 N4O5C24H33 A4B5C24D33 -135.03 8.47 0.0 0.0 0
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166800 74735451 1 O3N5C28H33 A3B5C28D33 -23.98 2.29 -7.83 -0.44 1
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166801 74735574 1 SO3N5C25H30 AB3C5D25E30 13.54 6.5 0.0 0.0 0
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166802 74735575 1 SO3N5C25H29 AB3C5D25E29 -19.42 6.51 -8.57 -0.66 1
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166803 74735576 1 O2N5C19H28 A2B5C19D28 5.05 4.71 0.0 0.0 0
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166804 74735577 1 O2N5C19H27 A2B5C19D27 -28.31 6.25 -8.5 0.22 1
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166805 74735820 1 O3N5C27H40 A3B5C27D40 -53.77 4.48 0.0 0.0 2
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166806 74735937 1 O2N3S3C17H29 A2B3C3D17E29 44.49 5.79 -6.15 -1.01 2
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166807 74735938 1 O2S2N3C19H31 A2B2C3D19E31 5.13 6.51 -7.32 -0.76 2
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166808 74735939 1 S2N3O3C20H33 A2B3C3D20E33 -38.09 8.54 -7.82 -0.67 2
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166809 74735940 1 OS2N4C17H34 AB2C4D17E34 -54.95 4.87 -8.35 0.36 2
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166810 74735941 1 OS2N4C19H32 AB2C4D19E32 110.05 9.38 -3.0 -0.18 2
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166811 74736366 2 ON3C14H18 AB3C14D18 99.2 17.08 -3.9 -0.87 0
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166812 74737042 1 SN3O8C17H21 AB3C8D17E21 -256.44 5.14 -10.01 -1.29 0
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166813 74737051 1 SN2O6C17H24 AB2C6D17E24 -235.04 5.61 -9.5 -0.69 1
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166814 74737262 1 BrN3O3C20H27 AB3C3D20E27 -105.8 13.47 0.0 0.0 0
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166815 74737286 1 ClO2N7C23H26 AB2C7D23E26 16.04 4.52 -8.8 -0.2 1
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166816 74737372 1 N7C26H38 A7B26C38 98.35 8.12 0.0 0.0 1
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166817 74737608 1 N2O5C29H39 A2B5C29D39 -162.84 5.05 0.0 0.0 1
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166818 74738015 1 ClOS2N3H17C20 ABC2D3E17F20 82.71 15.73 0.0 0.0 1
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166819 74738016 1 FSN3O5C23H29 ABC3D5E23F29 -175.26 4.39 0.0 0.0 1
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166820 74738017 1 N3O3C23H34 A3B3C23D34 -114.69 8.16 0.0 0.0 1
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166821 74738018 1 N3O3C23H30 A3B3C23D30 -73.48 2.11 0.0 0.0 1
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166822 74738322 1 BrFO2N3C22H24 ABC2D3E22F24 -5.27 15.82 0.0 0.0 1
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166823 74738773 1 O4N6C21H27 A4B6C21D27 -77.02 3.76 0.0 0.0 1
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166824 74739134 1 N2O8C28H35 A2B8C28D35 -235.12 8.79 0.0 0.0 1
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166825 74739583 1 SCl2O3N6C20H21 AB2C3D6E20F21 55.98 4.39 0.0 0.0 0
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166826 74739835 1 SO2N3C29H31 AB2C3D29E31 -16.94 7.7 -8.51 -1.21 -1
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166827 74739836 1 S2N3O5H14C19 A2B3C5D14E19 -20.83 4.44 0.0 0.0 1
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166828 74740067 1 SN5O5C21H28 AB5C5D21E28 -82.95 8.06 0.0 0.0 1
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166829 74740493 1 S2O4N5C17H18 A2B4C5D17E18 -2.39 35.96 0.0 0.0 1
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166830 74740768 1 O2N4C24H33 A2B4C24D33 -38.54 3.72 0.0 0.0 1
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166831 74740769 1 ClO2N4C23H30 AB2C4D23E30 -49.89 3.39 0.0 0.0 1
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166832 74740770 1 O2N4C24H33 A2B4C24D33 -48.8 3.33 0.0 0.0 1
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166833 74740862 1 FON3C24H31 ABC3D24E31 -53.85 5.23 0.0 0.0 1
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166834 74740863 1 FON3C24H31 ABC3D24E31 -53.0 5.07 0.0 0.0 1
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166835 74740864 1 ON3C26H36 AB3C26D36 -14.49 3.31 0.0 0.0 1
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166836 74740865 1 ON3C26H36 AB3C26D36 -19.15 6.24 0.0 0.0 1
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166837 74740934 1 FO2N4C26H34 AB2C4D26E34 -100.16 3.56 0.0 0.0 0
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166838 74740992 1 SF2O3N5C21H27 AB2C3D5E21F27 -189.24 3.37 -8.84 -0.5 2
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166839 74741057 1 F2N4O5C20H28 A2B4C5D20E28 -253.71 6.6 -7.53 -0.77 -1
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166840 74741269 1 ClNO7H21C22 ABC7D21E22 -183.99 10.04 0.0 0.0 -1
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166841 74741325 1 S2N4O4H19C25 A2B4C4D19E25 44.76 13.94 0.0 0.0 0
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166842 74742234 1 SN2O6C28H30 AB2C6D28E30 -119.17 6.65 -8.83 -1.26 1
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166843 74742614 1 N3O3C24H26 A3B3C24D26 -17.01 5.51 0.0 0.0 1
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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