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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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324746 126678263 1 ON4H32C54 AB4C32D54 244.05 3.15 -7.96 -1.18 0
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324747 126678264 1 ON4H28C48 AB4C28D48 227.1 4.08 -8.04 -1.18 0
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324748 126678265 1 ON4H30C50 AB4C30D50 226.34 4.93 -8.01 -1.23 0
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324749 126678266 1 ON4H30C50 AB4C30D50 226.71 3.15 -7.96 -1.17 0
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324750 126678267 1 ON4H30C50 AB4C30D50 227.72 4.99 -7.92 -1.2 0
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324751 126678268 1 ON2H18C30 AB2C18D30 111.93 1.96 -8.01 -0.58 0
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324752 126678269 1 ON4H26C44 AB4C26D44 208.34 4.8 -8.06 -1.15 0
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324753 126678270 1 ON4H28C48 AB4C28D48 232.47 4.53 -8.0 -1.26 0
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324754 126678271 1 ON2H28C50 AB2C28D50 212.99 3.67 -7.93 -1.3 0
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324755 126678273 1 ON2H28C50 AB2C28D50 212.3 3.56 -7.93 -1.22 0
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324756 126678277 1 ON2H26C46 AB2C26D46 192.57 2.78 -7.98 -1.23 0
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324757 126678278 1 ON4H30C50 AB4C30D50 229.79 3.77 -7.98 -1.17 0
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324758 126678279 1 ON4H30C50 AB4C30D50 228.06 4.19 -8.01 -1.22 0
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324759 126678280 1 ON4H30C50 AB4C30D50 228.8 2.77 -7.98 -1.24 0
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324760 126678282 1 ON4H32C54 AB4C32D54 246.23 5.28 -7.95 -1.21 0
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324761 126678283 1 ON4H30C50 AB4C30D50 228.53 5.2 -7.99 -1.2 0
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324762 126678284 1 ON2H28C50 AB2C28D50 209.86 2.59 -7.99 -1.23 0
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324763 126678286 1 ClNO2H10C18 ABC2D10E18 63.08 4.09 -9.08 -1.46 0
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324764 126678289 1 ON4H32C54 AB4C32D54 249.99 4.13 -8.0 -1.15 0
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324765 126678290 1 ON4H32C54 AB4C32D54 256.42 4.95 -7.91 -1.32 0
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324766 126678292 1 ON4H28C48 AB4C28D48 226.63 4.93 -8.01 -1.15 0
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324767 126678296 1 BrNOH8C12 ABCD8E12 73.63 3.93 -9.3 -1.49 -1
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324768 126678306 1 SN2O6C16H25 AB2C6D16E25 -218.29 3.13 0.0 0.0 0
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324769 126678309 1 NO2C19H25 AB2C19D25 -43.4 2.13 -8.37 0.3 0
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324770 126678310 1 O3N4C18H20 A3B4C18D20 -6.26 5.73 -9.15 -0.76 0
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324771 126678311 1 N2O6C27H36 A2B6C27D36 -272.34 5.33 -9.0 -0.48 0
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324772 126678312 1 N2O6C27H38 A2B6C27D38 -295.59 1.21 -8.9 -0.36 0
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324773 126678315 1 NO2C12H25 AB2C12D25 -149.22 2.69 -9.35 1.08 0
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324774 126678322 1 FN2O4C19H21 AB2C4D19E21 -170.3 1.54 -9.12 -0.5 0
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324775 126678325 1 ON4H34C56 AB4C34D56 262.41 4.94 -8.01 -1.12 0
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324776 126678328 1 ON4H30C50 AB4C30D50 240.94 3.93 -7.99 -1.07 0
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324777 126678329 1 ON2H30C52 AB2C30D52 228.05 2.15 -8.08 -1.17 0
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324778 126678332 1 FN2O4H17C19 AB2C4D17E19 -118.68 3.4 -9.07 -1.14 0
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324779 126678336 1 ON2H30C52 AB2C30D52 229.17 1.61 -8.04 -1.16 0
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324780 126678339 1 ClPN5O5C35H41 ABC5D5E35F41 -196.05 6.9 -8.84 -0.43 0
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324781 126678340 1 ON4H30C50 AB4C30D50 235.69 4.8 -7.87 -1.12 0
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324782 126678341 1 ON4H34C56 AB4C34D56 255.09 5.53 -7.89 -1.18 0
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324783 126678343 1 ON2H30C52 AB2C30D52 221.6 2.75 -8.04 -1.15 0
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324784 126678344 1 ON2H30C52 AB2C30D52 228.8 1.63 -8.18 -1.06 0
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324785 126678345 1 ON2H30C52 AB2C30D52 228.4 2.23 -8.05 -1.16 0
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324786 126678346 1 FPN2O3H14C17 ABC2D3E14F17 -59.84 3.05 -8.09 -1.11 0
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324787 126678347 1 NO4H19C23 AB4C19D23 -63.77 2.97 -8.82 -0.96 0
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324788 126678350 1 ON2H30C52 AB2C30D52 217.24 2.3 -7.96 -1.23 0
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324789 126678351 1 ON2H30C52 AB2C30D52 218.02 1.85 -7.98 -1.24 0
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324790 126678352 1 ON4H34C56 AB4C34D56 251.15 4.58 -7.92 -1.2 0
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324791 126678353 1 ON4H34C56 AB4C34D56 252.89 5.11 -7.93 -1.23 0
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324792 126678354 1 ON4H34C56 AB4C34D56 257.83 3.78 -7.92 -1.18 0
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324793 126678358 1 ON4H34C56 AB4C34D56 251.04 3.5 -7.98 -1.17 0
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324794 126678359 1 ON4H34C56 AB4C34D56 254.56 3.6 -7.97 -1.13 0
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324795 126678361 1 ON4H32C54 AB4C32D54 248.68 2.97 -7.93 -1.18 0