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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147171 53786824 1 N5O7C26H37 A5B7C26D37 -330.87 6.73 -8.67 -0.16 0
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147172 53786825 1 NO3C19H29 AB3C19D29 -130.8 3.07 -8.72 0.42 0
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147173 53786826 1 O4C13H18 A4B13C18 -166.39 7.58 -8.8 -0.18 0
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147174 53786827 1 FO6C34H41 AB6C34D41 -182.26 3.12 -8.53 -0.34 0
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147175 53786828 2 N5H9C12 A5B9C12 266.11 7.95 -10.15 -2.23 0
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147176 53786829 1 F3O3N4H19C24 A3B3C4D19E24 -173.96 7.41 -9.92 -1.13 0
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147177 53786830 1 ClN5O5C23H28 AB5C5D23E28 -145.55 5.7 -9.2 -0.5 0
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147178 53786831 1 S2N3O5H21C27 A2B3C5D21E27 -70.38 6.16 -8.69 -1.17 0
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147179 53786832 1 NSO2C10H19 ABC2D10E19 -77.29 4.29 -8.04 0.11 0
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147180 53786833 1 SN3O6C20H21 AB3C6D20E21 -139.44 2.51 -8.97 -1.02 0
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147181 53786835 1 NO3C6H11 AB3C6D11 -133.1 1.26 -9.89 -0.06 0
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147182 53786836 1 SN4O10H22C26 AB4C10D22E26 -245.43 8.32 -9.73 -2.04 0
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147183 53786837 1 N3C10H17 A3B10C17 12.59 3.52 -7.98 0.93 0
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147184 53786838 1 BrCl2C11H15 AB2C11D15 -6.88 2.37 -9.35 -0.26 0
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147185 53786839 5 OC4H6 AB4C6 -247.56 4.95 -8.82 0.12 0
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147186 53786840 1 ClS2N5O5C22H22 AB2C5D5E22F22 -105.96 6.57 -9.02 -1.59 0
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147187 53786841 1 ON6H26C30 AB6C26D30 118.11 5.19 -9.02 -0.63 0
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147188 53786842 1 SiO2C4H5 AB2C4D5 2.21 4.39 0.0 0.0 0
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147189 53786843 1 NC15H21 AB15C21 5.47 1.37 -7.76 0.51 0
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147190 53786844 1 SO4N5C11H11 AB4C5D11E11 29.86 6.62 -9.18 -1.62 0
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147191 53786845 1 ON2F6C21H22 AB2C6D21E22 -298.03 1.1 -9.4 0.12 0
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147192 53786846 1 SiO4F8C13H16 AB4C8D13E16 -597.02 2.28 -9.93 -1.51 0
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147193 53786847 1 NF4C26H31 AB4C26D31 -177.67 4.35 -9.8 -0.53 0
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147194 53786848 1 FON3H12C14 ABC3D12E14 -7.11 3.44 -9.04 -1.14 0
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147195 53786849 1 PSN2O3C19H29 ABC2D3E19F29 -158.27 1.93 -8.94 -0.13 0
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147196 53786850 1 SN5O5H17C18 AB5C5D17E18 -31.46 5.04 -9.16 -0.93 0
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147197 53786851 2 NO3C15H23 AB3C15D23 -291.28 4.19 -10.14 -0.69 0
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147198 53786852 1 SN2O9H26C27 AB2C9D26E27 -172.17 7.63 -8.58 -1.15 0
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147199 53786853 1 O2C29H48 A2B29C48 -156.76 6.13 -9.72 0.08 0
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147200 53786854 1 O5C27H30 A5B27C30 -116.68 4.13 -8.92 -0.81 0
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147201 53786855 1 ClH13C14 AB13C14 18.61 1.5 -9.24 0.02 0
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147202 53786856 2 NH9C11 AB9C11 78.6 3.12 -8.02 -0.64 0
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147203 53786857 1 N2O7C19H22 A2B7C19D22 -184.29 4.68 -10.05 -1.6 0
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147204 53786858 1 NSC33H37 ABC33D37 24.98 2.82 -8.07 0.21 0
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147205 53786859 1 ClON2H19C23 ABC2D19E23 50.62 3.95 -8.7 -0.87 0
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147206 53786860 1 ClO3N6C17H27 AB3C6D17E27 -111.9 5.21 -8.27 -0.25 0
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147207 53786861 1 PO3C21H27 AB3C21D27 -164.39 2.31 -9.26 0.24 0
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147208 53786862 1 N2O3C20H30 A2B3C20D30 -132.12 5.02 -8.78 -0.39 0
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147209 53786863 1 SiO4C16H30 AB4C16D30 -232.64 2.84 -9.03 0.63 0
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147210 53786864 1 ClO2C18H21 AB2C18D21 -59.6 2.83 -8.85 -0.12 0
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147211 53786865 1 O2N4C21H26 A2B4C21D26 -39.44 4.22 -8.35 -0.02 0
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147212 53786866 1 PO6C23H23 AB6C23D23 -234.96 2.68 -9.43 -0.2 0
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147213 53786867 1 ON2C24H36 AB2C24D36 -58.05 4.47 -9.57 0.73 0
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147214 53786868 1 O2N3H19C22 A2B3C19D22 31.32 6.84 -8.18 -0.67 0
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147215 53786869 2 NO4C8H8 AB4C8D8 -208.69 5.22 -10.49 -1.61 0
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147216 53786870 1 O2N3C28H37 A2B3C28D37 -34.56 1.89 -8.4 -0.33 0
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147217 53786871 1 FO5N9H30C36 AB5C9D30E36 -44.75 9.26 -9.11 -1.21 1
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147218 53786872 1 N3O4C20H26 A3B4C20D26 -18.4 23.12 0.0 0.0 0
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147219 53786873 2 O2C5H8 A2B5C8 -178.61 0.74 -9.44 0.09 0
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147220 53786874 1 BrO3N4H13C18 AB3C4D13E18 -17.11 2.71 -8.82 -1.3 0
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147221 53786875 1 SO3C7H8 AB3C7D8 -95.75 2.42 -8.76 -0.33 0
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147222 53786876 1 Cl2O3N6H22C27 A2B3C6D22E27 34.01 2.81 -9.29 -0.62 0
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147223 53786877 1 NO2C30H47 AB2C30D47 -118.43 4.45 -8.62 -0.32 0
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147224 53786878 2 NOC10H16 ABC10D16 -98.58 2.22 -9.44 -0.32 0
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147225 53786879 1 O2N3C23H49 A2B3C23D49 -179.97 3.47 -8.9 1.01 0
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147226 53786880 1 OH10C11 AB10C11 12.89 0.9 -8.56 -0.03 0
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147227 53786881 1 NO4C26H35 AB4C26D35 -178.46 4.21 -8.38 0.35 1
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147228 53786882 1 N2O3C27H33 A2B3C27D33 -45.26 4.26 0.0 0.0 1
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147229 53786883 1 N4O10C21H27 A4B10C21D27 -267.71 12.58 0.0 0.0 0
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147230 53786884 1 N2O7C28H34 A2B7C28D34 -216.01 5.27 -8.59 -0.98 0
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147231 53786885 1 N3O6C30H47 A3B6C30D47 -270.79 7.55 -8.83 -0.04 0
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147232 53786886 1 ClSN3O3C22H28 ABC3D3E22F28 -84.13 2.5 -8.73 -0.2 0
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147233 53786887 1 ON3C10H11 AB3C10D11 -7.04 4.79 -8.21 -0.48 0
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147234 53786888 1 ClNSO3C10H12 ABCD3E10F12 -123.94 8.8 -8.39 -0.93 0
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147235 53786889 2 SiO3S4C6H15 AB3C4D6E15 -447.64 8.18 -8.18 -1.64 0
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147236 53786890 2 N2O2H3C4 A2B2C3D4 -107.12 3.85 -9.78 -1.04 0
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147237 53786891 1 F2O2C17H22 A2B2C17D22 -191.05 1.93 -9.63 -0.38 0
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147238 53786892 1 O5C25H28 A5B25C28 -183.58 6.47 -8.71 -0.8 0
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147239 53786893 1 NOC17H27 ABC17D27 -44.6 5.07 -8.88 0.84 0
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147240 53786894 1 NOC17H27 ABC17D27 -75.59 5.0 -9.07 1.16 1
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147241 53786895 1 ON6H17C19 AB6C17D19 188.33 4.53 0.0 0.0 0
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147242 53786896 1 FNO5C27H30 ABC5D27E30 -234.96 2.11 -8.79 -0.58 0
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147243 53786897 1 SO2N4C6H8 AB2C4D6E8 -25.83 3.24 -9.43 -1.4 0
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147244 53786898 2 ClNO2C15H17 ABC2D15E17 -114.38 6.93 -8.8 -0.46 0
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147245 53786899 1 NO2C11H17 AB2C11D17 -73.97 3.24 -10.8 -0.9 0
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147246 53786900 1 O2N3C21H25 A2B3C21D25 -46.71 5.72 -8.37 -0.33 0
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147247 53786901 1 NOCl2C13H15 ABC2D13E15 -47.75 5.78 -8.85 -0.59 0
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147248 53786902 1 PO7C21H41 AB7C21D41 -446.93 6.47 -9.61 0.21 0
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147249 53786903 1 BrNC19H32 ABC19D32 -44.27 3.57 -9.71 -0.45 0
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147250 53786904 1 FNO3C8H8 ABC3D8E8 -148.47 2.76 -9.0 -0.63 0
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147251 53786905 1 ClSO2N3H16C18 ABC2D3E16F18 0.92 2.63 -8.61 -1.07 0
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147252 53786906 1 NO5H17C21 AB5C17D21 -122.33 7.47 -9.12 -1.18 0
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147253 53786907 1 OSN2C9H14 ABC2D9E14 -4.8 3.73 -9.02 -1.4 0
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147254 53786908 1 FNC28H40 ABC28D40 -52.79 6.65 -9.67 -0.44 0
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147255 53786909 1 N3O4C12H13 A3B4C12D13 -118.15 7.19 -9.83 -1.05 0
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147256 53786910 1 N3O3C23H41 A3B3C23D41 -141.74 3.05 -9.76 -0.33 0
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147257 53786911 1 N3O3C23H41 A3B3C23D41 -139.48 3.67 -9.9 -0.22 0
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147258 53786912 1 O7H32C35 A7B32C35 -182.49 6.05 -8.88 -0.95 0
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147259 53786913 1 OC16H18 AB16C18 -14.61 1.18 -8.31 0.05 0
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147260 53786915 1 N3O3C18H29 A3B3C18D29 -143.1 2.62 -9.44 -0.03 0
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147261 53786916 2 NC7H11 AB7C11 35.52 1.6 -8.57 0.09 0
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147262 53786917 1 SF3O5H15C22 AB3C5D15E22 -262.84 3.11 -9.81 -1.84 0
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147263 53786918 2 SO3N5C10H11 AB3C5D10E11 -87.11 8.42 -9.24 -1.73 0
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147264 53786919 1 NS2O3H15C16 AB2C3D15E16 -20.03 3.37 -8.37 -1.23 0
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147265 53786920 5 OC5H6 AB5C6 -175.28 7.99 -9.23 0.04 0
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147266 53786921 1 N3O4C27H31 A3B4C27D31 -110.58 3.47 -9.63 -0.72 0
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147267 53786922 1 N2S2O3C14H14 A2B2C3D14E14 -30.39 3.97 -9.09 -0.54 0
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147268 53786923 1 N2F3O5H13C14 A2B3C5D13E14 -325.49 2.21 -10.9 -1.98 0
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147269 53786924 1 ON3C23H35 AB3C23D35 -38.27 7.66 -8.52 -0.11 0
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147270 53786925 1 F3N3O4C24H28 A3B3C4D24E28 -300.45 2.16 -8.74 -0.25 0