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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140813 52766336 1 O2N4C28H39 A2B4C28D39 -44.22 4.14 0.0 0.0 0
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140814 52766337 2 ON2C14H19 AB2C14D19 -69.54 4.15 -8.29 -0.34 0
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140815 52766338 1 SN4O4C24H26 AB4C4D24E26 2.71 5.42 -8.76 -1.34 0
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140816 52767298 1 SN3O4C20H29 AB3C4D20E29 -177.86 8.31 -8.93 -0.4 0
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140817 52767521 1 FON3C20H24 ABC3D20E24 -8.72 2.61 -8.75 -0.18 0
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140818 52767570 1 ClFSN2O3C16H22 ABCD2E3F16G22 -181.49 2.67 -9.49 -1.21 1
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140819 52767708 1 N2O2S2C13H21 A2B2C2D13E21 -45.89 3.87 0.0 0.0 0
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140820 52767709 1 N2O2S2C13H20 A2B2C2D13E20 -53.38 5.13 -8.76 -0.92 1
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140821 52767710 1 SN2O3C16H25 AB2C3D16E25 -96.87 3.89 0.0 0.0 0
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140822 52767711 1 SN2O3C16H24 AB2C3D16E24 -106.22 6.91 -8.62 -0.39 1
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140823 52767712 1 SN2O3C16H25 AB2C3D16E25 -96.85 3.94 0.0 0.0 0
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140824 52767759 1 ClFSN2O2C15H20 ABCD2E2F15G20 -117.99 4.27 -8.74 -1.14 0
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140825 52767851 1 ON3C21H33 AB3C21D33 -59.97 3.74 -8.87 -0.18 1
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140826 52767852 1 FOSN3C21H23 ABCD3E21F23 -33.17 2.79 0.0 0.0 0
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140827 52767963 1 SN2O5C15H22 AB2C5D15E22 -211.74 3.76 -9.95 -0.78 0
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140828 52767964 2 NO2C9H12 AB2C9D12 -178.77 1.12 -8.76 -0.07 0
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140829 52767965 2 NO2C9H12 AB2C9D12 -179.07 3.49 -8.51 0.17 0
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140830 52767966 1 N3O4C18H23 A3B4C18D23 -148.57 1.47 -9.08 -0.65 0
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140831 52767967 1 N2O2F3C17H23 A2B2C3D17E23 -251.68 7.23 -8.45 -0.18 0
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140832 52767968 1 N2O2F3C17H23 A2B2C3D17E23 -251.69 6.29 -8.59 -0.27 0
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140833 52767969 1 N2O2F3C21H29 A2B2C3D21E29 -261.71 6.69 -8.55 -0.24 0
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140834 52767970 1 N2O2F3C21H29 A2B2C3D21E29 -262.68 2.87 -8.54 -0.26 0
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140835 52767971 1 O2F3N4H19C20 A2B3C4D19E20 -164.72 8.91 -8.35 -0.83 0
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140836 52767972 1 O2F3N4H19C20 A2B3C4D19E20 -164.56 8.44 -8.39 -0.82 0
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140837 52767973 1 O2F3N3C18H18 A2B3C3D18E18 -190.67 4.77 -8.81 -0.64 0
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140838 52768148 1 SCl2N2O3C18H20 AB2C2D3E18F20 -114.06 3.79 -9.75 -0.75 0
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140839 52768245 1 N2O5C14H26 A2B5C14D26 -259.63 3.86 -10.0 0.37 0
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140840 52768246 1 N2O5C14H26 A2B5C14D26 -261.7 2.09 -9.76 0.22 0
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140841 52768247 1 N2O4C21H22 A2B4C21D22 -102.26 2.17 -9.34 -0.9 0
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140842 52768248 1 NO4C18H23 AB4C18D23 -163.91 4.13 -8.83 -0.58 0
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140843 52768249 1 SN3O7C18H21 AB3C7D18E21 -157.46 5.26 -9.35 -1.43 0
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140844 52768526 2 ON3C8H9 AB3C8D9 48.39 1.39 -9.17 -1.01 -1
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140845 52768605 1 ClO4N6H16C21 AB4C6D16E21 -33.09 6.66 0.0 0.0 0
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140846 52768606 1 ClO4N6H17C21 AB4C6D17E21 -55.57 6.27 -9.39 -1.41 0
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140847 52768888 2 ON2C9H11 AB2C9D11 -41.21 3.46 -9.11 -0.49 0
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140848 52769087 1 NSO6H23C25 ABC6D23E25 -179.92 10.93 -8.93 -0.9 0
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140849 52769393 1 FSN2O3C21H21 ABC2D3E21F21 -88.81 6.65 -8.96 -0.61 0
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140850 52769447 1 FSN2O4C22H27 ABC2D4E22F27 -189.86 4.96 -9.44 -0.59 0
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140851 52770331 1 O4C17H18 A4B17C18 -135.68 2.37 -8.65 -0.54 0
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140852 52770332 1 O4C17H18 A4B17C18 -134.23 2.27 -8.59 -0.59 0
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140853 52770365 1 NBr2O2C11H11 AB2C2D11E11 -64.01 2.13 -9.42 -0.77 0
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140854 52770664 1 OSN4H18C24 ABC4D18E24 103.76 7.55 -9.19 -1.04 0
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140855 52770665 1 O2Cl3N3H14C18 A2B3C3D14E18 -16.01 3.54 -9.38 -1.11 1
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140856 52771256 1 ClO2N6C22H26 AB2C6D22E26 38.96 12.24 0.0 0.0 0
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140857 52771365 1 N2O2C13H24 A2B2C13D24 -128.87 0.96 -9.4 1.07 0
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140858 52771399 1 ON6C22H26 AB6C22D26 66.08 6.12 -8.91 -1.05 0
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140859 52771568 1 N2O3C18H30 A2B3C18D30 -125.22 5.05 -8.64 0.36 0
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140860 52772174 1 NSO3C20H25 ABC3D20E25 -94.79 4.71 -8.66 -0.4 0
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140861 52772421 1 NSF3O4C19H20 ABC3D4E19F20 -278.72 9.58 -8.6 -0.58 0
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140862 52772422 1 ClNSO2C16H16 ABCD2E16F16 -53.92 4.46 -8.91 -0.54 0
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140863 52772752 4 NOC6H7 ABC6D7 -156.66 6.17 -8.23 -0.1 0
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140864 52773484 1 SN3O3C22H25 AB3C3D22E25 -32.9 5.28 -8.59 -0.71 0
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140865 52773924 1 F2N2O3C22H26 A2B2C3D22E26 -203.66 4.52 -8.5 -0.88 0
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140866 52773925 1 F2N2O3C22H26 A2B2C3D22E26 -203.02 4.01 -8.49 -0.92 0
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140867 52774076 1 OF2N3H17C23 AB2C3D17E23 -17.91 6.35 -9.05 -0.84 0
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140868 52774463 1 SN3O3C25H35 AB3C3D25E35 -91.46 8.31 -9.06 -0.75 0
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140869 52775062 1 N2O3C24H32 A2B3C24D32 -144.75 2.63 -8.82 -0.45 0
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140870 52775249 1 N2O3C21H26 A2B3C21D26 -79.36 5.16 -8.69 -0.38 1
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140871 52775250 1 N2O3C21H27 A2B3C21D27 -71.67 2.94 0.0 0.0 0
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140872 52775324 1 N3O5C26H27 A3B5C26D27 -144.38 4.96 -9.16 -0.63 0
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140873 52775325 1 N3O5C26H27 A3B5C26D27 -143.53 3.48 -9.21 -0.73 0
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140874 52775381 1 SO2F3N4H21C22 AB2C3D4E21F22 -103.21 6.06 -9.22 -1.12 0
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140875 52775382 1 N2F3O4C20H27 A2B3C4D20E27 -345.32 4.28 -8.89 -0.28 0
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140876 52775702 4 NOC6H9 ABC6D9 -185.15 3.19 -8.76 -0.31 1
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140877 52776017 1 N3O3C19H32 A3B3C19D32 -133.02 7.22 0.0 0.0 0
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140878 52776188 1 O3N5C27H31 A3B5C27D31 -12.59 5.93 -8.85 -0.6 1
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140879 52776189 1 OF3N4C25H28 AB3C4D25E28 -84.7 4.51 0.0 0.0 0
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140880 52776190 1 OF3N4C25H27 AB3C4D25E27 -104.41 4.05 -8.86 -1.1 1
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140881 52776197 1 OSN3C23H28 ABC3D23E28 22.38 2.28 0.0 0.0 0
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140882 52776198 1 OSN3C23H27 ABC3D23E27 15.05 4.38 -8.85 -0.67 1
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140883 52776269 1 BrON2C21H26 ABC2D21E26 20.15 3.78 0.0 0.0 0
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140884 52776324 1 O3N4C25H38 A3B4C25D38 -147.84 6.33 -8.82 -0.06 1
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140885 52776325 1 ON2C21H29 AB2C21D29 -0.98 3.12 0.0 0.0 0
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140886 52776326 1 ON2C21H28 AB2C21D28 -19.56 3.9 -8.8 0.11 1
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140887 52776739 1 Cl2O2N3C21H30 A2B2C3D21E30 -87.13 13.94 0.0 0.0 0
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140888 52777082 1 O2N3C21H31 A2B3C21D31 -93.92 5.78 -8.34 0.33 0
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140889 52777816 1 S2O3N5C21H25 A2B3C5D21E25 -44.7 8.18 -9.0 -0.89 0
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140890 52777817 1 FN2S2O3H17C18 AB2C2D3E17F18 -119.87 8.07 -8.93 -1.39 1
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140891 52778382 1 N2O3C23H31 A2B3C23D31 -76.35 6.12 0.0 0.0 0
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140892 52778383 1 N2O3C23H30 A2B3C23D30 -90.23 4.51 -9.01 -0.11 1
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140893 52778768 1 Cl2N2O2C22H27 A2B2C2D22E27 -48.96 3.36 0.0 0.0 0
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140894 52778769 2 ClNOC11H13 ABCD11E13 -64.61 3.36 -8.94 -0.54 0
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140895 52779587 1 ClN2O2F3C14H18 AB2C2D3E14F18 -245.57 5.32 -9.57 -0.31 0
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140896 52779602 1 O3N4C21H30 A3B4C21D30 -95.15 7.61 -8.9 0.07 0
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140897 52779696 2 ON2C10H16 AB2C10D16 -101.39 6.11 -8.84 0.2 0
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140898 52780060 1 BrFN2O2C21H22 ABC2D2E21F22 -89.43 1.84 -8.63 -1.08 0
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140899 52781062 1 SN2O3C22H22 AB2C3D22E22 -52.64 4.45 -8.66 -0.48 0
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140900 52781233 1 ClO2N4C26H29 AB2C4D26E29 -2.81 5.61 -9.03 -0.48 0
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140901 52781234 1 ClO2N4C26H29 AB2C4D26E29 -3.21 5.58 -9.06 -0.46 0
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140902 52781235 1 ClN2O3C17H23 AB2C3D17E23 -117.86 1.41 -9.03 -0.47 0
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140903 52781236 1 ClN2O3C17H23 AB2C3D17E23 -117.68 3.64 -8.97 -0.39 0
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140904 52781237 1 ClN2O3C17H23 AB2C3D17E23 -117.77 2.07 -9.04 -0.44 0
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140905 52781243 1 ClN3O3H26C27 AB3C3D26E27 -24.72 5.49 -8.89 -0.87 0
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140906 52781461 2 NOC11H14 ABC11D14 -77.62 1.94 -9.31 -0.22 0
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140907 52781462 2 NOC11H14 ABC11D14 -79.18 3.16 -9.4 -0.54 0
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140908 52781667 1 N3O3C25H37 A3B3C25D37 -156.26 0.88 -9.59 -0.28 0
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140909 52782569 1 FSN2O3C20H21 ABC2D3E20F21 -77.01 5.77 -9.87 -0.78 0
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140910 52782570 1 FSN2O3H19C20 ABC2D3E19F20 -39.99 6.48 -9.66 -0.83 0
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140911 52782989 1 SN3O3C24H29 AB3C3D24E29 -81.86 1.99 -8.34 -0.82 0
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140912 52783021 1 ClN3O3C22H26 AB3C3D22E26 -91.69 4.07 -8.57 -0.12 1