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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149177 53788849 1 O2C19H28 A2B19C28 -120.78 3.87 -9.78 0.03 0
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149178 53788850 1 O2C19H28 A2B19C28 -120.82 3.89 -9.78 0.03 0
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149179 53788851 1 O2C19H28 A2B19C28 -120.81 3.88 -9.78 0.02 0
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149180 53788852 1 ON4C21H24 AB4C21D24 35.41 5.44 -8.62 -0.68 0
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149181 53788853 1 NSO3C11H17 ABC3D11E17 -132.05 6.23 -9.25 0.1 0
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149182 53788854 1 SO4N7C29H37 AB4C7D29E37 -48.19 9.02 -8.26 -0.55 0
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149183 53788855 1 NF2O2H9C14 AB2C2D9E14 -90.56 2.68 -9.56 -0.81 0
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149184 53788856 1 N2O2C27H42 A2B2C27D42 -86.6 4.22 -8.62 0.37 0
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149185 53788857 1 IN4C9H9 AB4C9D9 93.56 1.64 -8.6 -0.81 0
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149186 53788858 1 N2O7C23H30 A2B7C23D30 -306.92 10.34 -10.12 -0.68 0
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149187 53788859 1 ClOSi2C17H27 ABC2D17E27 -144.31 3.31 -8.21 0.13 0
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149188 53788860 1 S2O4N5C16H21 A2B4C5D16E21 -19.78 4.65 -8.82 -0.7 0
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149189 53788861 1 IO3C12H23 AB3C12D23 -168.45 1.23 -10.12 -1.18 0
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149190 53788862 1 IO3C12H23 AB3C12D23 -171.74 2.09 -10.14 -1.19 0
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149191 53788863 1 BrSN2O4C25H31 ABC2D4E25F31 -139.95 7.65 -9.09 -1.06 0
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149192 53788864 1 NPS2O3C6H14 ABC2D3E6F14 -186.15 3.98 -9.28 -0.24 0
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149193 53788865 1 NO4C16H19 AB4C16D19 -143.31 4.52 -9.28 0.2 0
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149194 53788866 1 SN3O5C20H27 AB3C5D20E27 -163.08 8.32 -9.4 -0.68 0
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149195 53788867 1 NO3C21H25 AB3C21D25 -92.77 5.64 -9.3 0.06 0
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149196 53788868 1 O2F4C23H32 A2B4C23D32 -306.77 5.06 -9.75 -0.72 0
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149197 53788869 1 SN2O5C9H16 AB2C5D9E16 -169.8 7.42 -9.88 -0.11 0
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149198 53788870 1 N2O5C11H12 A2B5C11D12 -123.34 4.63 -10.5 -1.85 0
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149199 53788871 1 N2O5C13H16 A2B5C13D16 -117.8 2.57 -9.1 -0.87 0
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149200 53788872 1 N2O4C25H28 A2B4C25D28 -119.82 4.05 -8.59 -0.42 0
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149201 53788873 1 N5H21C22 A5B21C22 121.16 7.98 -8.73 -0.92 0
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149202 53788874 1 O8N11C27H47 A8B11C27D47 -362.11 13.21 -8.99 0.05 0
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149203 53788875 1 F2N3O3C16H25 A2B3C3D16E25 -242.97 7.56 -9.13 0.16 0
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149204 53788876 1 Cl2N3H13C15 A2B3C13D15 71.88 3.28 -9.62 -0.75 0
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149205 53788877 1 NPSO3C14H24 ABCD3E14F24 -195.77 2.74 -8.57 -0.04 0
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149206 53788878 1 SN3O5H13C18 AB3C5D13E18 -15.85 9.16 -9.39 -1.75 0
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149207 53788879 1 NO4C37H43 AB4C37D43 -127.26 3.91 -8.61 -0.31 0
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149208 53788880 1 NO4C10H11 AB4C10D11 -120.04 6.33 -9.56 -1.31 0
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149209 53788881 1 SO3H16C20 AB3C16D20 -32.03 2.5 -9.43 -0.61 0
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149210 53788882 1 Cl2O3N9C37H39 A2B3C9D37E39 78.31 9.03 -8.9 -1.19 0
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149211 53788883 2 OC4H9 AB4C9 -130.42 3.1 -10.19 2.39 0
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149212 53788884 1 FO2C14H21 AB2C14D21 -141.82 1.76 -9.07 0.1 0
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149213 53788885 1 O3C6H10 A3B6C10 -62.15 4.35 -10.28 -0.63 0
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149214 53788886 1 NO2C7H13 AB2C7D13 -106.69 4.62 -9.57 0.94 0
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149215 53788887 1 SN5O5C28H29 AB5C5D28E29 -110.21 11.07 -8.66 -0.8 0
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149216 53788888 1 FNO3H14C15 ABC3D14E15 -133.13 3.4 -9.29 -0.56 0
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149217 53788889 1 NO4C13H17 AB4C13D17 -158.96 5.2 -9.66 -0.05 0
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149218 53788890 1 O3C13H24 A3B13C24 -163.19 3.15 -9.63 0.1 0
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149219 53788891 1 NO2C14H19 AB2C14D19 -72.08 0.82 -9.35 0.39 0
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149220 53788892 1 NO5C21H41 AB5C21D41 -294.01 3.13 -8.66 0.7 0
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149221 53788893 1 ON4H26C39 AB4C26D39 169.84 2.86 -8.3 -0.7 0
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149222 53788894 1 HNOCl2C3 ABCD2E3 16.98 2.2 -10.2 -0.74 1
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149223 53788895 1 NO2C15H16 AB2C15D16 -14.7 6.87 0.0 0.0 0
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149224 53788896 1 NSC13H15 ABC13D15 32.09 1.99 -8.54 -0.38 0
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149225 53788897 1 O2N4C11H12 A2B4C11D12 58.75 6.14 -9.2 -0.86 0
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149226 53788898 1 N3O4C34H35 A3B4C34D35 -53.41 7.05 -8.44 -0.22 1