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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408116 135080872 1 BON9H38C51 ABC9D38E51 310.02 9.94 -7.81 -2.03 0
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408117 135080873 1 ZnN8H48C96 AB8C48D96 1112.62 1.66 -7.82 -1.78 0
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408118 135080874 2 N4H25C48 A4B25C48 933.62 12.17 -8.03 -1.63 2
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408119 135080875 1 PbN8H48C96 AB8C48D96 1359.12 3.89 -7.86 -1.7 0
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408120 135080877 1 GaS3N8O10H22C39 AB3C8D10E22F39 14.45 4.95 0.0 0.0 0
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408121 135080878 1 ClBr2H2C4F5 AB2C2D4E5 -254.75 2.48 -11.65 -1.93 0
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408122 135080879 1 N2O4C9H12 A2B4C9D12 -182.64 2.34 -10.74 -0.31 0
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408123 135080880 1 NO3C11H21 AB3C11D21 -83.11 3.39 -10.08 -0.61 0
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408124 135080881 1 OSN3C11H13 ABC3D11E13 22.02 5.14 -9.2 -1.75 0
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408125 135080882 1 NOF3H10C12 ABC3D10E12 -174.29 6.74 -9.28 -0.76 0
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408126 135080883 1 OF3C12H13 AB3C12D13 -178.83 4.36 -8.92 0.09 0
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408127 135080887 1 NO3C5H11 AB3C5D11 -77.57 4.87 -10.73 -0.55 0
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408128 135080888 1 ON2C11H14 AB2C11D14 2.39 4.04 -9.94 0.86 0
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408129 135080889 1 SN2O3C8H12 AB2C3D8E12 -76.17 17.78 -8.56 -1.16 0
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408130 135080890 1 SiN2C13H22 AB2C13D22 -4.25 1.73 -8.56 0.18 0
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408131 135080891 1 NO4C11H21 AB4C11D21 -195.6 3.0 -9.13 0.78 0
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408132 135080892 1 SO4C7H14 AB4C7D14 -181.6 4.28 -8.8 -0.3 -1
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408133 135080893 1 O4C5H5 A4B5C5 -122.0 3.37 0.0 0.0 -2
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408134 135080894 1 NO4C7H11 AB4C7D11 -179.53 2.03 -9.03 0.48 -1
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408135 135080895 1 N2O3C7H9 A2B3C7D9 -86.34 5.65 0.0 0.0 0
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408136 135080896 1 N2O3C7H10 A2B3C7D10 -117.75 2.07 -8.66 0.29 0
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408138 135080898 1 NO4C7H11 AB4C7D11 -173.81 2.12 -8.6 0.48 0
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408139 135080899 1 BrClOF2H4C8 ABCD2E4F8 -87.57 1.62 -9.63 -0.89 0
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408140 135080900 1 NC10H19 AB10C19 -26.43 1.2 -8.19 2.87 0
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408141 135080901 1 NC11H21 AB11C21 -32.34 1.25 -8.36 3.03 0
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408142 135080902 1 TeC4F6 AB4C6 -252.63 1.25 -9.26 -1.14 0
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408143 135080903 1 O2Cl3C10H15 A2B3C10D15 -143.52 2.69 -10.09 -0.48 -1
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408144 135080904 1 HMnF4O5C8 ABC4D5E8 -276.15 2.32 -8.41 -1.99 0
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408145 135080905 1 CoN8S8H16O24C32 AB8C8D16E24F32 -431.55 8.02 0.0 0.0 0
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408146 135080906 2 N4S4H9O12C16 A4B4C9D12E16 -539.57 5.19 -8.96 -3.46 0
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408147 135080907 1 CuN16H56C88 AB16C56D88 1156.09 7.66 0.0 0.0 0
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408148 135080908 1 ZnN16H56C88 AB16C56D88 964.45 16.45 -7.35 -2.1 0
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408149 135080909 1 SCl5H9C12 AB5C9D12 20.62 2.4 -9.09 -0.92 0
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408150 135080910 1 ClInN8S8C80H112 ABC8D8E80F112 257.59 13.99 -7.18 -2.21 0
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408151 135080911 1 MgN8O16C144H208 AB8C16D144E208 -447.02 20.26 -6.84 -1.45 0
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408152 135080912 2 N4O8C72H105 A4B8C72D105 -553.71 5.85 -8.0 -2.61 0
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408153 135080913 1 CuN16C136H200 AB16C136D200 306.02 3.17 0.0 0.0 0
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408154 135080914 2 N8C68H101 A8B68C101 221.66 13.26 -8.51 -3.24 0
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408155 135080915 1 ZnN8C96H104 AB8C96D104 448.27 5.25 -6.65 -2.09 0
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408156 135080916 1 ZnN8S8C24H24 AB8C8D24E24 367.41 3.07 -7.8 -2.15 1
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408157 135080917 1 BON7H19C30 ABC7D19E30 301.35 14.13 0.0 0.0 0
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408158 135080918 1 BS2O3N6H29C38 AB2C3D6E29F38 113.36 6.59 -7.58 -2.26 2
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408160 135080920 1 ZnO2N12H52C63 AB2C12D52E63 409.55 10.77 -9.02 -2.26 0
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408161 135080921 1 O2N12H54C63 A2B12C54D63 429.94 8.32 -7.9 -2.44 0
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408162 135080922 1 NO4C13H17 AB4C13D17 -171.1 8.17 -9.46 -0.41 0
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408163 135080923 1 O2F3C8H9 A2B3C8D9 -212.5 3.23 -9.73 -0.77 0
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408164 135080924 1 ON5C10H19 AB5C10D19 34.49 7.56 -9.63 -0.17 0
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408165 135080925 2 NC6H10 AB6C10 5.88 2.35 -9.04 0.6 0
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408166 135080926 1 NH9C10 AB9C10 67.97 3.85 -9.75 0.02 0
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408167 135080927 1 ISiF3C11H14 ABC3D11E14 -168.35 4.18 -9.37 -0.84 0
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408168 135080928 2 OC6H12 AB6C12 -146.61 3.26 -10.1 2.07 0
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408169 135080929 2 HLiSC3 ABCD3 107.19 0.14 -7.89 0.56 0
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408170 135080930 1 BrOSH3C6 ABCD3E6 29.86 1.1 -9.13 -0.83 0
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408171 135080931 1 NO3C9H15 AB3C9D15 -127.13 3.13 -11.4 -0.29 0
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408172 135080932 1 NOSSiC13H21 ABCDE13F21 -53.9 4.0 -8.3 -0.08 0
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408173 135080933 1 S2O3H8C10 A2B3C8D10 -67.82 2.41 -8.95 -1.88 0
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408175 135080935 1 NSO4C6H9 ABC4D6E9 -172.72 4.29 -8.6 0.19 -2
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408176 135080936 1 NO4C8H13 AB4C8D13 -184.47 2.01 -9.01 0.46 -2
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408177 135080937 1 NO4C6H9 AB4C6D9 -170.66 1.73 -8.62 0.32 -1
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408178 135080938 1 N3O3C6H8 A3B3C6D8 -74.66 3.88 0.0 0.0 0
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408179 135080939 3 NOC2H3 ABC2D3 -97.56 3.26 -9.03 0.07 0
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408180 135080940 1 ClIO2H6C7 ABC2D6E7 -49.51 3.09 -8.82 -1.09 -2
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408181 135080941 2 NO2C4H7 AB2C4D7 -171.28 2.77 -8.62 0.2 -2
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408182 135080942 1 N2O4C7H12 A2B4C7D12 -168.56 2.05 -8.62 0.25 0
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408183 135080943 2 FO2C4H5 AB2C4D5 -290.22 5.45 -11.74 -0.16 0
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408184 135080944 1 O2C13H18 A2B13C18 -90.27 2.55 -9.78 0.52 0
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408185 135080945 1 FNO2C14H16 ABC2D14E16 -80.77 6.23 -8.98 -0.47 0
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408186 135080946 1 BrOC11H13 ABC11D13 -15.47 2.22 -9.12 -0.36 0
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408187 135080947 1 OC12H16 AB12C16 -32.26 2.07 -9.29 0.37 0
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408188 135080948 1 BrNO2C11H18 ABC2D11E18 -105.22 4.32 -9.41 -0.49 0
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408192 135080953 1 ZnN8O8C176H232 AB8C8D176E232 -189.89 11.38 -8.22 -1.92 0
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408193 135080954 2 N4O4C88H117 A4B4C88D117 -89.09 11.97 -7.57 -1.71 0
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408194 135080955 1 SiZnN10H46C53 ABC10D46E53 484.09 12.43 -8.29 -2.3 0
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408195 135080956 1 SiN10H48C53 AB10C48D53 454.65 17.24 -7.65 -2.6 0
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408197 135080958 1 OVN8H36C40 ABC8D36E40 334.92 5.67 0.0 0.0 0