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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6149 67220 2 NaSH3O4C5 ABC3D4E5 -382.27 20.83 -8.67 -1.08 0
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6150 67223 1 NaSO3H7C10 ABC3D7E10 -120.56 6.39 -8.87 -0.48 0
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6151 67233 1 PO4H27C36 AB4C27D36 -74.93 1.94 -8.89 -0.22 0
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6152 67235 1 ON2H16C18 AB2C16D18 57.12 5.88 -8.19 -1.35 0
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6153 67258 2 OH6C7 AB6C7 -38.4 2.9 -9.42 -0.58 0
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6154 67259 1 ClON3C10H14 ABC3D10E14 19.2 4.95 -8.43 -0.72 0
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6155 67260 1 ON3C10H14 AB3C10D14 25.49 6.37 0.0 0.0 1
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6156 67261 1 N3O3C7H15 A3B3C7D15 -138.36 2.06 -9.76 0.59 0
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6157 67279 2 NNaO2H8C13 ABC2D8E13 -56.95 95.78 -6.32 -2.05 0
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6158 67309 1 ClNC9H14 ABC9D14 19.96 15.36 -7.85 -1.3 0
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6159 67313 1 ClSN2O2C7H11 ABC2D2E7F11 -93.79 5.53 -9.98 -0.78 0
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6160 67316 1 SN3O5H11C13 AB3C5D11E13 -106.35 7.46 -9.83 -1.88 0
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6161 67326 1 FNC7H8 ABC7D8 -24.66 2.55 -9.6 -0.06 0
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6162 67329 2 O3C11H21 A3B11C21 -336.65 2.04 -9.8 0.55 0
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6163 67336 1 NCl2C6H7 AB2C6D7 -18.34 4.01 -9.16 -0.26 0
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6164 67337 1 O7C44H86 A7B44C86 -473.04 0.66 -9.86 0.67 0
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6165 67340 1 ClOC6H11 ABC6D11 -77.55 3.86 -11.1 -0.23 0
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6166 67342 1 ClNC6H16 ABC6D16 -60.95 0.54 -9.36 2.07 0
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6167 67344 1 NNaSO5C14H28 ABCD5E14F28 -311.49 11.67 -9.55 0.0 0
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6168 67345 1 NSO5C14H29 ABC5D14E29 -265.41 3.59 -10.2 -1.05 0
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6169 67346 1 ClNC8H20 ABC8D20 -73.46 2.63 -9.38 1.98 0
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6170 67347 1 CHgIH3 ABCD3 17.46 1.54 -10.16 -1.25 0
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6171 67349 1 ClSiC13H13 ABC13D13 -13.39 1.87 -9.47 -0.27 0
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6172 67350 1 N2O4C13H18 A2B4C13D18 -27.38 4.46 -10.12 -1.14 0
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6173 67351 2 NO2H5C7 AB2C5D7 -107.24 2.95 -8.14 -1.6 0
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6174 67352 1 O2H18C27 A2B18C27 41.91 5.24 -8.79 -1.09 0
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6175 67354 2 NOC12H19 ABC12D19 -60.88 33.89 -6.42 -2.74 0
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6176 67357 3 OC6H6 AB6C6 -89.3 8.06 -10.0 -1.18 0
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6177 67358 1 N5O5C10H13 A5B5C10D13 -116.64 1.57 -8.99 -1.01 0
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6178 67359 1 N4O5H14C15 A4B5C14D15 -35.84 4.38 -9.2 -2.11 0
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6179 67364 1 N2C11H18 A2B11C18 4.73 2.49 -7.5 0.61 0
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6180 67367 1 N3C10H14 A3B10C14 66.89 6.39 0.0 0.0 1
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6181 67368 1 NNaSO4C21H42 ABCD4E21F42 -295.41 4.18 -9.3 0.5 0
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6182 67370 1 N2S2C17H36 A2B2C17D36 -34.65 7.37 -8.35 -0.17 0
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6183 67371 1 ClN3O5C24H32 AB3C5D24E32 -190.24 4.47 -9.1 -0.77 0
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6184 67379 1 ClO2C18H23 AB2C18D23 -115.26 2.15 -9.06 -0.14 0
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6185 67380 1 NO2C18H25 AB2C18D25 -97.87 1.6 -8.82 0.12 0
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6186 67382 1 FO2C18H23 AB2C18D23 -149.36 1.77 -9.06 0.0 0
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6187 67408 1 NaSO2N3H10C11 ABC2D3E10F11 -77.05 2.42 -7.74 0.1 0
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6188 67411 1 NNa2S2O6H7C10 AB2C2D6E7F10 -303.6 15.7 -8.58 -1.02 0
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6189 67414 1 NaN2O3C9H13 AB2C3D9E13 -192.44 8.25 -9.56 0.03 0
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6190 67416 1 SO2Cl3N3C23H30 AB2C3D3E23F30 -121.82 4.06 -7.9 -0.43 0
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6191 67424 1 N2O5C18H28 A2B5C18D28 -189.86 1.99 -8.72 -0.27 0
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6192 67425 3 NOC8H15 ABC8D15 -127.67 2.76 -8.31 0.22 0
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6193 67426 1 NO4C18H27 AB4C18D27 -141.02 5.74 -8.83 -0.13 0
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6194 67430 1 ClNC8H10 ABC8D10 7.22 2.3 -9.35 -0.07 0
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6196 67438 2 OC5H9 AB5C9 -117.15 2.3 -9.83 2.12 0
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6197 67440 2 OC6H7 AB6C7 -68.3 1.3 -8.59 0.16 0
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6198 67450 2 H6C11 A6B11 122.62 0.0 -8.68 -1.33 0
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6200 67452 1 SH12C20 AB12C20 90.71 1.03 -8.44 -1.07 0