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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229993 87569836 2 O2C14H27 A2B14C27 -285.07 5.81 -10.33 0.57 0
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229994 87569837 2 O2C18H35 A2B18C35 -340.63 0.56 -10.61 0.84 0
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229995 87569841 2 O6C23H26 A6B23C26 -237.06 4.78 -8.59 0.1 0
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229996 87569842 1 NO7C29H33 AB7C29D33 -179.78 4.56 -8.62 -0.46 0
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229997 87569844 1 NO7C29H33 AB7C29D33 -210.54 2.61 -8.37 -0.35 0
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229998 87569846 1 CSZnH4O5 ABCD4E5 -171.03 13.8 -10.82 -2.98 0
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229999 87569849 1 PC2Cl2O2H5 AB2C2D2E5 -114.62 1.7 -10.76 0.05 0
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230000 87569850 1 AsClON5H13C19 ABCD5E13F19 156.3 3.53 -7.96 -1.99 0
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230001 87569851 1 OSC7H14 ABC7D14 -44.21 4.79 -8.87 -0.61 0
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230002 87569853 1 N3O4C23H35 A3B4C23D35 -170.55 1.32 -8.98 -0.11 0
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230003 87569855 2 BrNH4C6 ABC4D6 53.56 2.6 -8.77 -1.67 0
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230004 87569857 1 BrO2N5H18C23 AB2C5D18E23 53.36 3.06 -9.34 -0.89 0
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230005 87569860 1 OSC6H12 ABC6D12 -39.64 4.73 -8.86 -0.6 0
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230006 87569861 1 NSiO3C11H25 ABC3D11E25 -219.34 4.31 -8.96 0.74 0
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230007 87569863 1 ClNO5C18H22 ABC5D18E22 -160.68 6.48 -8.84 -0.11 0
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230008 87569865 1 SN2O6H22C23 AB2C6D22E23 -133.11 4.89 -9.0 -1.3 0
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230009 87569868 1 OSN3C6H11 ABC3D6E11 5.9 3.01 -9.31 -0.36 0
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230010 87569869 1 O4C15H28 A4B15C28 -214.25 2.2 -10.82 -0.25 0
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230011 87569870 1 S2O5C18H26 A2B5C18D26 -213.19 3.83 -8.35 0.34 0
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230012 87569871 1 ClO3N6C30H41 AB3C6D30E41 -120.59 6.5 -9.02 -0.76 0
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230013 87569874 2 O4C7H9 A4B7C9 -288.65 3.3 -9.38 -1.2 0
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230014 87569875 4 O3C10H12 A3B10C12 -247.16 6.37 -8.65 -0.06 0
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230015 87569876 2 O3C11H12 A3B11C12 -232.99 0.94 -8.33 -0.14 0
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230016 87569878 1 ClO3F4N9H18C24 AB3C4D9E18F24 -108.01 3.58 -9.05 -1.77 0
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230017 87569879 1 SiN4C16H16 AB4C16D16 130.08 2.6 -9.07 -0.94 0
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230018 87569880 1 SO2N6C23H34 AB2C6D23E34 -2.26 5.58 -8.32 -0.92 0
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230019 87569882 2 O3C11H12 A3B11C12 -229.7 4.78 -8.66 -0.41 0
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230022 87569886 1 S2F3O5C13H13 A2B3C5D13E13 -327.45 11.46 -9.33 -1.48 0
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230023 87569887 2 O3C11H12 A3B11C12 -233.01 1.37 -8.59 -0.28 0
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230024 87569888 1 ON3C18H29 AB3C18D29 -47.93 2.42 -8.29 1.06 0
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230025 87569889 1 FNO3C6H10 ABC3D6E10 -182.53 4.56 -10.24 -0.05 0
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230026 87569891 1 SN3O12C16H31 AB3C12D16E31 -576.31 3.65 -9.68 -0.4 0
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230027 87569892 1 N3O6C31H49 A3B6C31D49 -215.31 6.35 -8.18 -0.76 0
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230029 87569895 2 NO2C8H9 AB2C8D9 -87.99 6.44 -9.45 -0.74 0
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230030 87569896 1 ClS2O3N6C25H37 AB2C3D6E25F37 -88.37 8.87 -8.8 -0.94 0
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230031 87569898 1 O4C19H36 A4B19C36 -253.73 0.61 -10.72 0.79 0
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230032 87569899 1 ON3C24H33 AB3C24D33 -17.71 6.24 -8.53 0.32 0
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230033 87569900 1 F2N2O4H20C21 A2B2C4D20E21 -115.65 2.27 -9.19 -0.48 0
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230034 87569901 1 FOSN2C17H21 ABCD2E17F21 -46.91 1.53 -8.72 -0.67 0
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230035 87569902 1 BCl2O3C7H15 AB2C3D7E15 -250.48 2.55 -10.29 0.27 -1
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230036 87569909 1 NSO4C7H10 ABC4D7E10 -162.81 2.52 0.0 0.0 1
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230037 87569910 1 NSO4C7H12 ABC4D7E12 -152.2 6.76 0.0 0.0 0
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230038 87569911 1 FO4N7C16H18 AB4C7D16E18 -96.95 8.25 -8.82 -1.16 0
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230039 87569916 1 ClN3O4C34H34 AB3C4D34E34 -52.01 5.29 -8.91 -0.62 0
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230040 87569918 1 ClSF2O2N4C24H31 ABC2D2E4F24G31 -153.53 3.96 -8.88 -0.79 0
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230041 87569922 1 Cl2N2O4H20C21 A2B2C4D20E21 -33.91 4.21 -9.28 -0.57 0
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230042 87569927 1 FN4O4H17C18 AB4C4D17E18 -96.96 5.26 -9.42 -1.33 0
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230043 87569928 2 O2C6H11 A2B6C11 -167.33 2.34 -10.02 0.41 0
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230044 87569938 1 SN2O9C19H26 AB2C9D19E26 -358.19 5.0 -10.91 -1.86 0
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230045 87569939 1 NSO6C27H31 ABC6D27E31 -176.3 2.83 -8.85 -0.76 0
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230046 87569940 1 SN2O9C19H26 AB2C9D19E26 -367.33 5.55 -11.01 -1.99 0
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230047 87569942 1 ClSN3O3C26H26 ABC3D3E26F26 -62.68 1.94 -8.78 -0.98 0
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230048 87569946 1 NO3C10H15 AB3C10D15 -127.39 2.21 -9.31 -0.5 0
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230049 87569947 1 O4C61H94 A4B61C94 -202.96 5.86 -8.38 -0.21 0
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230050 87569948 1 FO4C21H25 AB4C21D25 -179.51 5.32 -8.76 -0.14 0
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230051 87569954 1 OSiC10H22 ABC10D22 -90.7 2.39 -7.37 0.51 0
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230052 87569955 1 CoNaSO3N8H18C32 ABCD3E8F18G32 25.22 25.75 -10.66 -4.6 0
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230053 87569957 1 ClSO3N4H15C19 ABC3D4E15F19 -12.5 7.27 -9.07 -1.2 0
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230054 87569966 2 O12C35H40 A12B35C40 -472.81 5.94 -8.2 -0.14 0
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230055 87569971 1 ClNO6C28H30 ABC6D28E30 -179.32 2.37 -8.83 -0.66 0
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230056 87569974 1 BrClN2O4H20C21 ABC2D4E20F21 -18.3 3.33 -9.05 -0.61 0
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230057 87569975 1 ClO2S2N3H14C19 AB2C2D3E14F19 17.26 5.67 -9.07 -0.96 0
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230058 87569978 1 FNO6C19H26 ABC6D19E26 -254.33 5.59 -8.73 -0.42 0
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230059 87569980 1 ClNSF6O11C36H36 ABCD6E11F36G36 -714.29 7.09 -10.27 -1.53 0
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230060 87569982 1 ClSO2F3N3H13C21 ABC2D3E3F13G21 -130.56 5.88 -9.45 -1.54 0
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230061 87569984 1 ClSiF4O5N8C30H33 ABC4D5E8F30G33 -289.86 12.45 -9.07 -1.16 0
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230062 87569986 2 ClOC5H5 ABC5D5 -66.41 3.08 -8.67 -0.13 0
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230063 87569992 1 NO6C20H25 AB6C20D25 -184.69 3.71 -8.81 -0.6 0
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230065 87570005 1 OSCl2N7C26H31 ABC2D7E26F31 58.18 11.18 -9.14 -1.38 0
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230066 87570006 1 OSCl2N7C26H31 ABC2D7E26F31 58.0 11.51 -9.16 -1.38 0
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230067 87570008 1 PS2Cl3F6N6O6H14C21 AB2C3D6E6F6G14H21 -489.44 2.59 -9.43 -1.73 0
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230068 87570012 1 N4O17C53H90 A4B17C53D90 -897.82 5.92 -9.52 -0.3 0
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230069 87570013 1 O3N5H15C16 A3B5C15D16 -5.56 8.46 -8.76 -1.07 0
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230070 87570014 1 O2F6N8H18C25 A2B6C8D18E25 -180.27 7.99 -8.95 -1.3 0
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230071 87570017 1 ClSO2N3H22C24 ABC2D3E22F24 3.23 7.89 -9.01 -0.96 0