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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399134 135038076 1 OH8C9 AB8C9 63.08 2.07 -9.46 -0.48 0
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399135 135038079 1 O2N3C13H15 A2B3C13D15 -44.26 3.99 -8.49 -0.26 -1
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399136 135038093 1 N2C14H17 A2B14C17 92.51 0.97 0.0 0.0 0
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399137 135038097 1 INOF3H11C13 ABCD3E11F13 -158.8 7.04 -9.29 -1.55 1
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399138 135038102 1 O3C10H15 A3B10C15 -130.76 4.07 0.0 0.0 0
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399139 135038114 1 NOC16H25 ABC16D25 -62.61 2.53 -9.62 -0.02 0
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399140 135038115 1 NO3C11H21 AB3C11D21 -163.19 3.09 -9.41 0.77 1
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399141 135038166 1 OC10H17 AB10C17 -41.07 2.03 0.0 0.0 0
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399142 135038178 1 BrNOC15H16 ABCD15E16 -9.53 1.46 -8.06 -0.18 0
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399143 135038179 1 SiO3C16H24 AB3C16D24 -153.97 4.81 -9.39 -0.13 0
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399144 135038191 1 OC13H16 AB13C16 -14.47 3.39 -9.07 0.12 0
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399146 135038221 1 N2O3C13H16 A2B3C13D16 -85.73 8.61 -9.52 -0.89 0
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399147 135038223 1 ClNSO4H10C11 ABCD4E10F11 -140.09 8.83 -10.82 -1.8 0
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399148 135038235 1 NOC12H19 ABC12D19 -28.63 3.95 -9.67 0.78 0
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399149 135038239 2 SeC8H8 AB8C8 57.09 0.89 -8.46 -0.47 0
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399151 135038293 1 O6C13H26 A6B13C26 -316.71 5.02 -10.0 0.8 0
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399152 135038308 1 INOC15H16 ABCD15E16 20.78 5.78 -8.64 -0.76 0
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399154 135038324 1 NOC11H13 ABC11D13 -1.93 3.93 -9.4 -0.02 0
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399155 135038338 1 ClN2H13C15 AB2C13D15 62.83 4.66 -7.92 -1.05 0
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399156 135038341 1 OC18H18 AB18C18 -10.14 4.27 -9.28 -0.51 0
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399157 135038349 1 NOC17H19 ABC17D19 -17.36 4.69 -8.78 0.02 1
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399158 135038368 1 SiN3O3C11H28 AB3C3D11E28 -177.25 6.07 0.0 0.0 0
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399159 135038371 1 NOC11H15 ABC11D15 -18.86 0.69 -9.66 0.04 0
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399160 135038374 1 O3C13H18 A3B13C18 -133.67 0.89 -9.43 0.34 0
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399161 135038376 1 NO3H11C12 AB3C11D12 -32.63 4.86 -8.3 -1.88 0
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399162 135038378 2 O2C7H8 A2B7C8 -115.31 2.8 -9.36 -0.68 0
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399163 135038386 1 OS2C8H10 AB2C8D10 4.54 2.57 -8.53 -0.44 0
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399164 135038396 1 SO3H14C16 AB3C14D16 -52.65 3.87 -9.54 -0.94 0
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399165 135038398 1 SeTeC12H20 ABC12D20 -12.38 1.3 -8.02 -0.08 1
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399166 135038399 1 INOC13H17 ABCD13E17 -9.93 3.43 0.0 0.0 0
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399167 135038416 1 OS2C8H10 AB2C8D10 0.25 6.44 -8.8 -1.05 0
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399169 135038421 1 NO4C11H21 AB4C11D21 -185.1 3.89 -9.82 0.79 0
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399170 135038434 1 C13H18 A13B18 40.42 1.29 -8.68 0.68 0
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399171 135038435 1 FSO2C12H15 ABC2D12E15 -120.44 3.43 -9.34 -0.11 0
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399172 135038441 1 BrMgNOC6H8 ABCDE6F8 -82.82 5.28 -9.56 -0.27 0
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399173 135038452 2 NOC7H8 ABC7D8 -11.9 6.65 -10.51 -1.04 0
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399174 135038456 1 OC14H16 AB14C16 37.23 4.24 -9.43 -0.6 0
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399175 135038464 1 S2O3H10C13 A2B3C10D13 -60.85 3.47 -9.22 -1.21 0
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399176 135038466 1 NO3C16H19 AB3C16D19 -110.33 2.33 -9.73 -0.2 -1
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399177 135038490 1 ZnO3C9H9 AB3C9D9 -165.28 17.59 0.0 0.0 0
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399178 135038497 1 FO2H15C16 AB2C15D16 -99.31 2.63 -8.79 -0.12 0
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399179 135038504 1 SSiC11H24 ABC11D24 -58.75 1.63 -8.3 0.8 0
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399180 135038513 1 OS2C11H14 AB2C11D14 -4.06 2.54 -7.7 0.2 0
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399181 135038518 1 N2O4C13H16 A2B4C13D16 -143.67 3.84 -9.65 -0.38 0
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399182 135038529 2 OC7H8 AB7C8 -33.98 2.77 -9.03 -0.07 0
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399183 135038543 2 OC8H10 AB8C10 -53.67 4.46 -9.32 0.06 0
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399184 135038546 1 PdN2C15H16 AB2C15D16 155.64 4.79 -7.25 0.26 0
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399185 135038547 1 SO6C13H20 AB6C13D20 -266.09 6.64 -10.19 -0.88 0
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399186 135038556 1 OF2N2H8C12 AB2C2D8E12 -50.99 3.17 -9.07 -1.87 0
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399187 135038566 2 OC7H8 AB7C8 -54.74 2.52 -9.34 -0.5 -1
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399188 135038568 1 ISZnH2C4 ABCD2E4 -54.28 17.23 0.0 0.0 0
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399189 135038583 1 OS2C12H16 AB2C12D16 -8.2 5.16 -8.33 0.26 0
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399190 135038590 2 ON2C7H12 AB2C7D12 -73.45 6.95 -9.84 0.16 0
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399191 135038593 1 OC14H16 AB14C16 -4.57 2.77 -9.61 -0.01 0
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399192 135038599 1 O2C11H14 A2B11C14 -86.25 2.21 -9.95 -0.42 0
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399193 135038600 1 OC14H16 AB14C16 17.27 2.15 -9.32 -0.26 0
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399194 135038603 1 Cl2H4N5C6 A2B4C5D6 116.56 2.38 0.0 0.0 0
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399195 135038619 1 NOC12H17 ABC12D17 -41.27 4.96 -8.1 0.3 1
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399196 135038622 1 IO5C11H14 AB5C11D14 -188.01 2.86 0.0 0.0 0
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399197 135038623 1 C13H20 A13B20 9.39 0.65 -8.88 0.71 0
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399198 135038624 1 O5C12H20 A5B12C20 -246.51 7.17 -10.02 0.57 0
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399199 135038628 1 O7C13H20 A7B13C20 -322.52 5.22 -10.62 0.76 1
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399200 135038630 5 C3H5 A3B5 -29.27 0.32 0.0 0.0 0
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399201 135038646 1 O5C14H20 A5B14C20 -232.94 2.26 -10.36 0.01 0
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399202 135038648 2 C6H7 A6B7 46.33 0.22 -9.35 0.4 0
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399203 135038655 2 OC7H10 AB7C10 -94.36 3.55 -8.92 0.0 0
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399204 135038680 1 O4C15H26 A4B15C26 -210.16 2.07 -9.9 0.12 0
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399206 135038725 1 O3C14H22 A3B14C22 -165.84 2.77 -9.91 0.7 0
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399208 135038734 1 ClN4H11C13 AB4C11D13 66.09 3.77 -8.75 -0.68 0
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399209 135038744 1 NO2C11H21 AB2C11D21 -119.35 2.24 -9.82 0.92 0
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399210 135038749 1 PSBr3O3C10H12 ABC3D3E10F12 -175.52 3.74 -9.5 -0.97 0
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399211 135038751 1 OC14H22 AB14C22 -15.28 2.75 -9.89 1.25 0
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399212 135038752 1 NOC16H19 ABC16D19 -21.97 5.61 -8.74 0.1 0
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399213 135038756 1 NO3H11C14 AB3C11D14 -65.42 1.23 -9.32 -1.77 0
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399214 135038761 1 OSC11H20 ABC11D20 -84.25 3.33 -8.68 0.68 0
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399215 135038781 2 O2C6H7 A2B6C7 -151.43 4.66 -9.96 -0.85 0
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399216 135038806 4 OC2H4 AB2C4 -205.81 4.77 -10.61 0.61 0
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399217 135038830 1 ISN2C15H15 ABC2D15E15 70.98 3.56 -8.58 -1.08 0
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399218 135038832 1 NO2C13H27 AB2C13D27 -133.09 3.31 -8.67 2.06 0
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399219 135038836 1 BrNC17H32 ABC17D32 -47.73 3.2 -8.85 0.12 0
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399220 135038845 2 O3C7H10 A3B7C10 -268.32 2.42 -9.38 -0.7 0
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399221 135038849 1 SN3C8H19 AB3C8D19 0.0 5.44 -8.56 0.92 0
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399222 135038855 1 SN2O2C9H10 AB2C2D9E10 -57.63 3.13 -8.99 -1.05 0
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399223 135038876 1 BrClC17H20 ABC17D20 12.13 3.12 -9.07 -0.3 1
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399224 135038907 1 NC8H14 AB8C14 9.62 2.31 0.0 0.0 0
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399225 135038910 1 FNO3H10C13 ABC3D10E13 -117.97 6.88 -9.26 -0.87 0
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399226 135038921 2 LiH8C9 AB8C9 159.7 16.96 -5.18 -1.18 0
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399227 135038926 1 NOH13C17 ABC13D17 51.7 4.46 -8.71 -0.92 0
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399228 135038928 1 O2N3C12H15 A2B3C12D15 -34.62 6.16 -8.68 0.32 0
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399229 135038929 1 SN2H12C14 AB2C12D14 70.12 1.78 -8.55 -0.45 0
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399230 135038936 1 O2C14H25 A2B14C25 -100.41 3.32 0.0 0.0 0
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399231 135038961 6 OC2H4 AB2C4 -267.43 2.08 -9.84 0.75 0
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399232 135038962 2 C4H7 A4B7 -16.97 0.12 -10.6 3.82 0
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399233 135038968 1 FNSO4H8C11 ABCD4E8F11 -150.17 8.78 -9.63 -1.24 0
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399234 135038975 1 SN2O2C12H14 AB2C2D12E14 -27.52 3.39 -8.49 -0.33 0
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399235 135038978 1 O5C15H22 A5B15C22 -218.83 1.26 -9.7 -0.02 0
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399236 135038985 1 NOC12H19 ABC12D19 -74.4 4.77 -9.37 1.12 0
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399237 135038988 1 NPC3O3H4 ABC3D3E4 -122.87 5.96 -10.16 -0.3 0
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399238 135038990 1 ClO2C12H13 AB2C12D13 -17.98 2.66 -9.63 -0.07 0
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399239 135039036 1 NO2C17H23 AB2C17D23 -49.84 3.09 -9.08 0.47 0