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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381402 134972122 2 O3C8H10 A3B8C10 -254.18 2.64 -10.08 -0.65 0
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381403 134972123 1 O8C31H40 A8B31C40 -322.61 1.79 -9.39 -0.5 0
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381404 134972124 1 O9C14H20 A9B14C20 -416.64 2.42 -10.75 0.44 0
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381405 134972125 1 SO4C9H10 AB4C9D10 -134.44 4.86 -8.68 -0.32 0
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381406 134972126 1 Cl2O2C9H14 A2B2C9D14 -128.19 4.65 -10.84 -0.36 0
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381407 134972127 1 ClIO3C5H6 ABC3D5E6 -106.0 6.01 -10.26 -2.05 0
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381408 134972132 1 OBr2N4H16C20 AB2C4D16E20 50.18 4.64 -8.67 -0.69 0
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381409 134972133 1 BrN3O6C26H26 AB3C6D26E26 -212.33 4.98 -9.16 -0.86 0
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381410 134972135 1 NO10C33H33 AB10C33D33 -336.12 2.66 -9.15 -1.82 0
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381411 134972136 1 NO6C15H15 AB6C15D15 -222.93 5.92 -9.58 -1.18 0
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381412 134972137 1 O4H26C29 A4B26C29 -98.69 3.88 -8.53 -0.4 0
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381413 134972138 1 O18C27H38 A18B27C38 -808.31 1.08 -10.29 0.43 0
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381414 134972139 1 O26C39H54 A26B39C54 -1156.86 5.27 -10.24 0.09 0
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381415 134972140 1 N2O5C22H24 A2B5C22D24 -121.33 6.59 -9.33 -0.99 1
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381416 134972141 1 N2O5C22H25 A2B5C22D25 -141.68 3.24 0.0 0.0 0
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381417 134972142 1 N2O4C19H30 A2B4C19D30 -161.7 1.17 -8.89 -0.38 0
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381418 134972143 1 O3C14H20 A3B14C20 -111.23 2.64 -9.74 -0.05 0
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381419 134972145 1 N5O9C18H25 A5B9C18D25 -368.73 4.02 -10.32 -1.46 0
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381420 134972146 1 NO3C31H51 AB3C31D51 -214.34 4.65 -9.39 -0.22 0
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381421 134972147 1 ClN3O3H18C24 AB3C3D18E24 -30.56 2.39 -8.27 -2.02 0
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381422 134972148 1 ClN2O2H15C22 AB2C2D15E22 28.56 1.48 -8.16 -1.94 0
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381423 134972149 2 NO2H8C11 AB2C8D11 -52.02 2.86 -8.8 -2.04 0
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381424 134972150 1 ON2C24H24 AB2C24D24 30.25 2.7 -8.31 -0.08 0
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381425 134972151 1 O2C19H22 A2B19C22 -5.94 4.92 -9.02 -1.3 0
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381426 134972152 1 ISnO2C17H33 ABC2D17E33 -128.4 2.09 -7.94 -0.76 0
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381427 134972153 1 IPdSnO2C17H33 ABCD2E17F33 14.41 18.58 -5.47 -2.46 0
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381428 134972154 1 SnO2C17H34 AB2C17D34 -141.79 1.5 -9.7 0.29 0
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381429 134972155 1 PdSnO2C19H34 ABC2D19E34 88.0 5.74 -4.62 -2.97 0
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381430 134972156 1 N2O6C45H60 A2B6C45D60 -262.42 3.7 -8.0 -0.88 0
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381432 134972162 1 NSiO8C31H51 ABC8D31E51 -415.95 3.89 -8.87 0.12 0
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381433 134972164 1 N2O6C25H42 A2B6C25D42 -286.43 2.4 -8.61 -0.54 0
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381434 134972165 1 SO3H8C13 AB3C8D13 -30.26 3.96 -8.96 -1.38 0
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381435 134972166 1 O3C12H20 A3B12C20 -173.7 2.95 -9.66 0.8 -1
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381436 134972167 1 NOH8C9 ABC8D9 56.59 3.76 0.0 0.0 0
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381437 134972171 1 SiO2C27H32 AB2C27D32 -76.82 1.27 -8.92 -0.02 0
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381438 134972172 1 SiO2C27H32 AB2C27D32 -90.05 2.79 -8.61 0.05 -1
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381439 134972173 1 NPO8C14H25 ABC8D14E25 -333.25 7.62 0.0 0.0 0
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381440 134972176 1 NO3H13C16 AB3C13D16 -66.91 3.65 -9.57 -1.02 0
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381441 134972178 1 O2C19H24 A2B19C24 -57.98 0.44 -9.28 -0.21 0
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381442 134972179 1 SeSiO3C21H34 ABC3D21E34 -184.45 2.31 -8.69 -0.69 0
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381443 134972180 1 F2N2O5C24H26 A2B2C5D24E26 -250.17 4.92 -9.51 -1.06 0
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381444 134972181 1 N2Cl4O5C24H24 A2B4C5D24E24 -186.92 6.12 -9.55 -1.16 0
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381445 134972182 1 NC9H17 AB9C17 -9.47 2.32 -8.01 1.63 0
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381446 134972186 1 BrC7H11 AB7C11 1.77 1.75 -9.46 0.02 0
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381447 134972187 1 O6H16C21 A6B16C21 -139.35 3.0 -8.86 -1.64 0
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381448 134972190 1 N4O5C22H24 A4B5C22D24 -169.83 2.51 -8.76 -0.63 0
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381449 134972191 1 N4O5C22H24 A4B5C22D24 -175.65 3.84 -8.9 -0.47 0
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381450 134972192 4 O2C4H5 A2B4C5 -313.22 6.16 -9.25 -0.14 0
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381451 134972195 4 H5C7 A5B7 173.16 0.27 -8.02 -1.01 0
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381452 134972196 1 NSSi2O4C25H43 ABC2D4E25F43 -259.81 1.78 -8.68 -0.51 0