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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80158 49833297 1 SO2N8C26H32 AB2C8D26E32 26.35 7.07 -8.68 -1.16 0
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80159 49833304 1 N3O5C36H43 A3B5C36D43 -152.7 6.93 -9.03 -0.77 0
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80160 49833305 1 ClO2N7C35H40 AB2C7D35E40 43.56 1.95 -8.87 -0.72 0
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80161 49833308 1 N2O5C39H48 A2B5C39D48 -185.54 8.41 -9.01 -0.47 0
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80162 49833312 1 N4O5C36H44 A4B5C36D44 -145.12 9.86 -9.16 -0.96 0
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80163 49833330 1 S2O5N9C19H21 A2B5C9D19E21 2.74 10.92 -8.78 -1.06 1
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80164 49833333 1 S2O5N8C20H23 A2B5C8D20E23 -27.3 6.24 0.0 0.0 0
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80165 49833337 1 S2O5N8C21H24 A2B5C8D21E24 -28.19 13.15 -8.74 -0.95 0
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80166 49833357 1 N7O13C26H51 A7B13C26D51 -568.53 9.05 -9.21 0.52 0
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80167 49833359 1 N9O12C28H53 A9B12C28D53 -505.95 5.86 -9.25 0.52 0
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80168 49833360 1 ClIN3O4C30H35 ABC3D4E30F35 -58.8 4.13 -8.76 -0.64 1
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80169 49833361 1 ClN3O4C30H35 AB3C4D30E35 -101.69 13.36 0.0 0.0 1
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80170 49833372 1 FN5O7C42H47 AB5C7D42E47 -227.57 10.88 0.0 0.0 0
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80171 49833384 1 ClF3O3N4H28C30 AB3C3D4E28F30 -214.65 3.0 -8.76 -1.01 0
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80173 49833394 1 N2P2O23C90H170 A2B2C23D90E170 -1346.61 6.5 -8.59 -0.26 0
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80174 49833402 1 N3O4C29H41 A3B4C29D41 -117.38 6.99 -8.47 0.0 0
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80175 49833406 1 BrClN2O4H20C26 ABC2D4E20F26 -83.79 3.46 -8.97 -1.04 0
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80176 49833409 2 ON4H17C18 AB4C17D18 108.21 2.63 -8.42 -0.9 0
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80177 49833410 1 OSF3N9H36C38 ABC3D9E36F38 -5.7 6.8 -7.93 -0.96 0
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80178 49833415 1 ClO2N5C23H24 AB2C5D23E24 -4.03 5.32 -8.53 -0.75 0
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80179 49833419 1 ON6H20C23 AB6C20D23 90.3 2.4 -8.4 -1.07 0
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80180 49833420 1 O2N5H17C22 A2B5C17D22 49.15 3.39 -8.86 -1.19 0
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80181 49833427 1 O3N5H23C25 A3B5C23D25 18.33 1.19 -8.34 -1.37 0
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80182 49833429 1 O3N5C24H27 A3B5C24D27 -29.26 2.65 -8.7 -1.23 0
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80183 49833430 1 Cl2O2N3H25C28 A2B2C3D25E28 -13.95 4.64 -8.21 -0.5 0