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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402130 135054540 2 O4C11H14 A4B11C14 -343.35 3.32 -8.74 0.26 0
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402132 135054557 1 O3C17H28 A3B17C28 -158.54 3.43 -9.33 0.94 0
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402133 135054566 1 OC12H18 AB12C18 -36.91 3.29 -9.75 0.06 0
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402134 135054568 1 OI2C8H14 AB2C8D14 -28.51 2.49 -9.46 -1.22 0
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402135 135054569 1 OC11H22 AB11C22 -96.15 1.81 -10.02 2.97 0
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402136 135054570 4 OC4H5 AB4C5 -152.63 2.82 -9.72 0.03 0
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402139 135054578 1 NSi3O7C32H69 AB3C7D32E69 -539.55 6.06 -8.62 0.54 0
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402140 135054584 1 O2H16C17 A2B16C17 -42.32 3.15 -9.47 -0.39 0
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402141 135054586 1 NO2S2C23H27 AB2C2D23E27 -45.11 2.87 -9.15 -1.25 0
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402142 135054596 1 ClNSO5H22C27 ABCD5E22F27 -97.01 7.59 -9.0 -0.71 0
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402144 135054606 1 OSiC29H34 ABC29D34 -33.67 1.41 -9.01 0.07 0
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402145 135054626 1 INSO2F3C10H11 ABCD2E3F10G11 -203.05 5.25 -9.51 -1.0 0
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402146 135054638 1 N2Cl3O5C16H29 A2B3C5D16E29 -304.56 2.34 -9.94 -0.49 0
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402147 135054639 1 N3O4C20H25 A3B4C20D25 -72.06 8.56 -9.1 -0.93 0
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402148 135054641 1 NO4C19H27 AB4C19D27 -194.62 1.56 -9.41 0.0 0
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402149 135054642 1 ClN2O2H19C20 AB2C2D19E20 27.38 4.92 -8.28 -0.37 0
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402150 135054644 1 O3C21H34 A3B21C34 -100.77 3.61 -9.57 0.08 0
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402151 135054665 2 NO2C8H11 AB2C8D11 -144.73 5.34 -9.85 -0.64 0
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402152 135054669 2 O2H9C10 A2B9C10 -70.1 6.45 -9.67 -0.93 0
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402153 135054673 1 ON2C14H16 AB2C14D16 -5.7 4.6 -8.65 0.19 0
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402154 135054674 1 NO3C23H27 AB3C23D27 -47.19 4.8 -8.16 -0.34 0
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402155 135054675 1 NCl2O3C21H23 AB2C3D21E23 -135.87 2.76 -9.48 -0.39 0
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402156 135054676 1 SiO3C16H28 AB3C16D28 -190.01 2.28 -9.0 0.49 0
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402157 135054680 1 PN2O4C21H29 AB2C4D21E29 -218.57 4.51 -8.31 0.03 0
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402158 135054681 1 ClNF2O2H14C15 ABC2D2E14F15 -163.64 6.02 -9.1 -0.69 0
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402160 135054684 1 ON2C20H26 AB2C20D26 -42.89 4.46 -8.46 -0.1 -1
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402162 135054689 1 BNO3C24H30 ABC3D24E30 -186.79 7.24 -8.43 0.07 0
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402163 135054696 4 SO2H8C9 AB2C8D9 -183.23 1.11 -8.74 -0.59 0
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402164 135054700 2 O3C12H14 A3B12C14 -250.65 3.18 -9.26 -0.23 0
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402165 135054704 1 N2O3H22C24 A2B3C22D24 -37.16 4.37 -9.62 -0.51 0
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402166 135054705 1 BrSiO3C28H39 ABC3D28E39 -153.52 2.66 -8.93 -0.1 0
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402167 135054706 1 NO4C16H19 AB4C16D19 -136.36 2.45 -8.48 0.13 0
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402168 135054707 1 O7C19H22 A7B19C22 -248.28 7.9 -8.76 -0.03 0
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402169 135054708 1 O5C17H18 A5B17C18 -163.87 5.63 -8.98 -0.42 0
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402170 135054709 2 OC8H10 AB8C10 -74.05 3.12 -9.15 0.42 0
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402171 135054710 1 BrSiO3C35H37 ABC3D35E37 -85.02 3.37 -9.14 -0.27 0
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402172 135054711 1 N2O3F6C32H32 A2B3C6D32E32 -338.87 6.05 -8.98 -0.89 0
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402173 135054713 1 NSO2C25H27 ABC2D25E27 -10.66 5.52 -9.3 -0.42 0
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402174 135054716 1 O5C18H20 A5B18C20 -170.67 2.77 -8.98 -0.57 0
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402175 135054722 1 SiO5C21H32 AB5C21D32 -258.49 1.56 -8.77 -0.11 0
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402176 135054730 1 SN4O6C23H28 AB4C6D23E28 -76.48 13.3 -8.66 -1.29 1
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402177 135054731 1 SN4O6C23H29 AB4C6D23E29 -75.39 5.18 0.0 0.0 0
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402178 135054732 1 NPO4C31H40 ABC4D31E40 -198.03 4.69 -8.54 0.18 0
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402179 135054734 1 NO2C13H15 AB2C13D15 -45.85 4.35 -8.63 -0.01 0
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402180 135054748 1 BrNZnO2C16H24 ABCD2E16F24 -49.22 5.37 -8.41 0.0 0
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402181 135054749 1 NO2C15H21 AB2C15D21 -37.74 2.13 -8.01 0.49 0
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402182 135054761 1 NO5C13H21 AB5C13D21 -189.94 4.22 -9.85 -0.24 0
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402183 135054776 1 N2O3C22H24 A2B3C22D24 -14.02 4.56 -8.2 -0.25 0
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402184 135054784 1 N3O5C24H33 A3B5C24D33 -135.68 9.31 -8.9 -0.77 0
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402185 135054794 1 NSO3C22H31 ABC3D22E31 -135.72 4.99 -9.97 -0.39 0
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402186 135054795 1 SiO3C23H30 AB3C23D30 -102.1 4.41 -9.4 -0.58 0
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402187 135054818 1 N2H16C23 A2B16C23 176.14 4.33 -9.16 -1.2 0
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402188 135054819 1 O2N3H27C33 A2B3C27D33 83.18 3.63 -8.64 -0.9 0
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402189 135054820 1 O2N3H27C33 A2B3C27D33 48.38 3.87 -8.21 -0.83 0
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402190 135054822 1 O3H14C16 A3B14C16 -55.5 2.54 -8.76 -0.2 0
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402191 135054842 1 O2C13H18 A2B13C18 -82.42 2.77 -8.7 -0.26 0
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402192 135054856 1 N2O6C29H46 A2B6C29D46 -294.34 3.08 -9.16 -0.25 0
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402193 135054859 1 PO3H33C38 AB3C33D38 -53.65 5.3 -8.91 -1.06 0
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402194 135054863 1 S2O7C34H34 A2B7C34D34 -171.59 3.76 -8.56 -0.42 0
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402195 135054870 3 N2O3C9H10 A2B3C9D10 -263.91 4.53 -9.05 -1.88 0
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402196 135054874 1 NOF4C14H15 ABC4D14E15 -215.42 4.42 -10.14 -0.62 0
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402197 135054875 2 OC10H10 AB10C10 -13.86 3.06 -9.48 0.04 0
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402198 135054879 1 OH22C24 AB22C24 27.14 3.69 -9.38 -0.63 0
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402199 135054884 1 OC18H26 AB18C26 -33.14 2.12 -9.15 0.28 0
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402200 135054885 2 OC10H12 AB10C12 -40.44 3.86 -9.06 0.17 0
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402201 135054886 1 ClN2O7C17H21 AB2C7D17E21 -272.43 2.65 -9.76 -0.97 0
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402202 135054892 1 FNS2O3C19H24 ABC2D3E19F24 -129.08 3.73 -8.34 -0.3 0
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402203 135054894 1 O5C19H28 A5B19C28 -246.52 3.47 -9.89 0.17 0
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402204 135054923 1 N2F3O3C19H25 A2B3C3D19E25 -281.26 2.56 -9.45 -1.17 0
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402205 135054925 1 SiO7C40H52 AB7C40D52 -336.67 4.91 -9.02 -0.11 0
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402206 135054927 1 O2C15H16 A2B15C16 -47.21 2.21 -8.99 -0.55 0
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402207 135054935 1 O16H62C69 A16B62C69 -442.52 5.78 -9.38 -0.8 0
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402208 135054936 1 SO37H128C144 AB37C128D144 -1102.59 6.04 -8.81 -0.85 0
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402209 135054962 1 NO3H19C22 AB3C19D22 -6.55 3.85 -8.78 -0.14 0
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402210 135054964 1 FNO3C21H22 ABC3D21E22 -133.06 2.06 -9.53 -0.79 0
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402211 135054967 1 NO3C14H19 AB3C14D19 -139.83 3.58 -9.27 0.24 0
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402212 135054968 1 NO3C10H19 AB3C10D19 -82.1 5.8 -10.36 -0.35 0
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402213 135054984 1 OC15H18 AB15C18 -7.22 2.38 -9.34 0.26 0
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402214 135054987 1 NOC22H23 ABC22D23 23.29 4.24 -9.01 -0.29 0
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402215 135054988 1 O2C15H16 A2B15C16 -21.98 5.08 -9.01 0.04 0
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402216 135054990 1 O2H20C21 A2B20C21 -10.94 2.23 -8.83 -0.41 0
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402217 135054993 1 NOC14H19 ABC14D19 -6.39 2.3 -8.5 0.28 0
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402218 135055008 1 NSiO3C24H43 ABC3D24E43 -211.29 3.92 -8.64 0.11 0
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402219 135055009 1 O6C15H20 A6B15C20 -227.96 4.34 -8.93 0.12 0
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402220 135055015 1 O3C16H22 A3B16C22 -137.7 7.61 -9.67 -0.12 0
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402221 135055018 1 NOPC21H22 ABCD21E22 -18.18 4.01 -9.05 -0.12 0
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402222 135055024 1 O11C12H22 A11B12C22 -502.91 5.52 -10.37 -0.08 0
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402223 135055033 1 NSiO2C19H23 ABC2D19E23 -79.0 2.93 -8.65 -0.02 0
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402224 135055036 1 SiO2C23H44 AB2C23D44 -180.43 1.65 -8.78 1.14 0
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402225 135055038 1 ClNO2F3H17C18 ABC2D3E17F18 -185.8 4.61 -8.9 -0.71 0
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402226 135055040 1 NO3C21H21 AB3C21D21 -60.5 5.06 -8.39 -0.26 0
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402227 135055049 1 ClON2C9H17 ABC2D9E17 -81.77 3.46 -9.6 0.65 0
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402228 135055055 1 NO4C22H29 AB4C22D29 -158.88 1.4 -9.54 -0.5 0
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402229 135055061 1 NO7C32H37 AB7C32D37 -209.92 4.4 -8.73 -0.41 0
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402230 135055063 1 SN2O7C17H26 AB2C7D17E26 -244.03 5.58 -9.71 -0.3 0
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402232 135055080 1 NO4H35C38 AB4C35D38 -47.61 4.6 -8.16 -0.02 0
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402233 135055082 1 S2O6H32C33 A2B6C32D33 -130.73 3.53 -8.46 -0.45 0
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402234 135055088 1 NO5C12H19 AB5C12D19 -225.66 2.99 -9.93 0.24 0
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402235 135055099 1 BN3O3C24H36 AB3C3D24E36 -117.97 5.08 -8.65 0.0 0
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402236 135055105 1 BrSF3O3H16C22 ABC3D3E16F22 -195.26 6.65 -9.18 -0.97 0