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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162290 57394199 1 ClN3O5C35H42 AB3C5D35E42 -133.88 7.85 -8.78 -0.21 0
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162291 57394200 2 ClN2O2C17H19 AB2C2D17E19 -114.05 4.94 -9.1 -0.63 0
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162292 57394201 1 ClO2N3H22C25 AB2C3D22E25 17.8 2.54 -8.9 -0.78 0
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162293 57394208 2 NO3C6H9 AB3C6D9 -260.29 2.41 -9.77 -0.57 0
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162294 57394212 1 BrO2N4C23H37 AB2C4D23E37 -106.03 2.99 -8.99 -0.12 0
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162295 57394214 1 SCl2O3N4C21H24 AB2C3D4E21F24 -120.82 9.63 -8.9 -1.14 0
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162296 57394216 1 NSO4H21C23 ABC4D21E23 -110.4 6.4 -8.94 -1.4 0
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162299 57394233 1 N2O3C30H41 A2B3C30D41 -73.69 3.58 0.0 0.0 1
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162300 57394234 1 SN2O3C28H39 AB2C3D28E39 -67.14 3.98 0.0 0.0 0
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162301 57394235 1 OF2N5C22H23 AB2C5D22E23 -69.14 4.21 -8.58 -0.38 0
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162302 57394237 1 O2N5C24H29 A2B5C24D29 -16.71 2.5 -8.18 -0.04 0
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162303 57394244 2 ON2H9C10 AB2C9D10 21.85 6.05 -8.68 -0.48 0
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162304 57394246 1 O2N5H19C20 A2B5C19D20 27.31 1.32 -8.89 -0.84 0
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162306 57394250 2 N9O11C37H58 A9B11C37D58 -1022.5 20.84 -8.88 -0.97 0
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162307 57394251 1 N17O34C86H113 A17B34C86D113 -1481.29 7.05 -8.93 -0.53 0
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162308 57394252 1 N17O34C79H107 A17B34C79D107 -1480.96 18.82 -8.91 -1.87 0
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162309 57394255 1 NO3C21H21 AB3C21D21 -98.12 4.18 -9.05 -1.48 0
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162311 57394262 1 O4C29H42 A4B29C42 -203.52 7.2 -8.88 -0.85 0
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162312 57394263 1 ClSO4N5H22C27 ABC4D5E22F27 -57.99 3.12 -8.83 -0.82 0
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162313 57394264 1 ClSN5O5H22C27 ABC5D5E22F27 -96.14 8.81 -8.73 -0.73 0
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162315 57394266 1 BrN3H12C17 AB3C12D17 92.69 7.04 -8.89 -1.11 0
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162317 57394268 1 BrN4H9C17 AB4C9D17 136.35 6.41 -9.22 -1.52 0
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162319 57394282 1 FON2C21H29 ABC2D21E29 -89.6 6.21 -8.27 0.06 0
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162321 57394290 1 O2N5H23C24 A2B5C23D24 30.06 4.44 -8.5 -1.26 0
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162322 57394294 1 OCl2N6H24C25 AB2C6D24E25 42.61 6.88 -8.97 -0.63 0