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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
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149227 53788899 1 N2O3C13H17 A2B3C13D17 -49.16 1.29 0.0 0.0 0
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149228 53788900 1 N3C28H37 A3B28C37 69.15 1.98 -8.72 0.4 1
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149229 53788901 1 FSO3N7C28H29 ABC3D7E28F29 -36.24 5.07 0.0 0.0 0
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149230 53788902 1 O2N4H14C17 A2B4C14D17 2.77 9.26 -8.81 -1.16 0
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149231 53788903 1 O7C19H20 A7B19C20 -247.85 4.33 -9.18 -1.21 0
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149232 53788904 2 N2O2H18C21 A2B2C18D21 -26.09 5.27 -8.55 -0.57 0
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149233 53788905 3 OC7H12 AB7C12 -170.12 2.4 -9.06 0.16 0
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149234 53788906 2 NOC7H7 ABC7D7 -30.43 4.62 -9.02 -0.58 0
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149235 53788907 2 ON2C14H15 AB2C14D15 16.02 2.6 -7.56 -0.78 0
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149236 53788908 1 ClNOH16C17 ABCD16E17 19.95 7.86 -8.35 -0.81 0
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149237 53788909 1 N4O4C29H30 A4B4C29D30 -65.16 9.73 -8.95 -0.64 0
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149238 53788910 1 SiO2C20H38 AB2C20D38 -188.71 3.03 -8.75 0.63 0
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149239 53788911 1 ClN2O2C18H21 AB2C2D18E21 -57.33 5.04 -9.32 -0.38 1
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149240 53788912 1 OSN4H9C13 ABC4D9E13 86.94 5.42 0.0 0.0 0
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149241 53788913 1 N4O5H38C40 A4B5C38D40 -63.15 3.78 -8.93 -0.7 0
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149242 53788914 2 N2C12H25 A2B12C25 -54.18 0.72 -8.01 1.88 0
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149243 53788915 1 NO2S2C8H17 AB2C2D8E17 -106.33 2.43 -8.78 0.2 0
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149244 53788916 1 ClO4C6H9 AB4C6D9 -167.14 5.16 -11.05 -2.02 1
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149245 53788917 1 OSN4C28H49 ABC4D28E49 -81.11 4.11 0.0 0.0 0
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149246 53788918 1 NO2C7H13 AB2C7D13 -101.21 6.02 -9.61 0.93 0
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149247 53788919 1 NO2C7H13 AB2C7D13 -101.32 6.3 -9.62 0.92 0
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149248 53788920 2 NO2C10H14 AB2C10D14 -117.06 2.83 -8.29 0.13 -1
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149249 53788921 1 NI3O4C19H23 AB3C4D19E23 -118.23 7.57 0.0 0.0 0
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149250 53788922 1 INO4C19H22 ABC4D19E22 -120.69 3.5 -8.86 -1.43 0
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149251 53788923 2 F2C3H3 A2B3C3 -169.94 4.39 -10.79 -0.05 0
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149252 53788924 1 N3O8C12H21 A3B8C12D21 -265.01 1.28 -10.22 -0.62 0
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149253 53788925 1 OSN5C15H17 ABC5D15E17 33.09 6.48 -8.75 -0.84 0
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149254 53788926 2 ON2C6H11 AB2C6D11 -95.62 7.02 -9.52 0.31 0
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149255 53788927 1 O3C20H26 A3B20C26 -129.45 3.64 -9.34 0.33 0
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149256 53788928 1 ClSO2N8C25H27 ABC2D8E25F27 86.52 9.4 -8.7 -1.33 0
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149257 53788929 1 NOC6H7 ABC6D7 -0.28 2.08 -9.91 -1.0 0
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149258 53788930 1 SN2O6C32H40 AB2C6D32E40 -173.75 7.26 -8.21 -0.43 0
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149259 53788931 1 OSN2C12H16 ABC2D12E16 -29.1 5.19 -8.56 -0.05 0
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149260 53788932 1 NOC11H17 ABC11D17 -20.95 5.33 -9.65 -0.77 0
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149261 53788933 2 NC11H16 AB11C16 11.85 2.55 -9.07 0.19 0
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149262 53788934 2 O3H7C9 A3B7C9 -201.88 6.7 -10.34 -1.46 0
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149263 53788935 1 SO4C17H24 AB4C17D24 -146.36 3.77 -8.26 0.04 0
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149264 53788936 3 NO2H7C10 AB2C7D10 60.31 8.08 -8.84 -1.75 0
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149265 53788937 1 NF2O2H9C11 AB2C2D9E11 -149.44 3.76 -9.83 -1.21 0
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149266 53788938 1 O3C39H76 A3B39C76 -207.32 9.37 -6.86 -0.88 1
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149267 53788939 1 N3O3C20H20 A3B3C20D20 -24.17 3.09 0.0 0.0 0
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149268 53788940 1 N2O5C12H16 A2B5C12D16 -203.36 3.63 -8.67 -0.56 0
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149269 53788941 1 O2N3H17C22 A2B3C17D22 42.53 4.63 -8.3 -1.07 0
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149270 53788942 1 N2F3O7C15H17 A2B3C7D15E17 -354.99 11.32 -9.45 -1.52 0
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149271 53788943 1 SO8C23H44 AB8C23D44 -427.6 4.13 -10.68 -0.73 0
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149272 53788944 1 SN3O3C17H19 AB3C3D17E19 -30.18 1.48 -8.32 -0.55 0
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149273 53788945 1 NO3C4H7 AB3C4D7 -29.24 4.12 -10.42 -0.97 0
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149274 53788946 1 NOC23H27 ABC23D27 13.18 2.84 -8.78 -0.67 0
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149275 53788947 1 FO3N4C24H29 AB3C4D24E29 -41.34 3.34 -8.7 -0.85 0
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149276 53788948 1 O3N6C21H28 A3B6C21D28 -54.2 3.75 -8.51 -0.17 0