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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228112 87563472 1 O2N5H23C24 A2B5C23D24 96.93 3.64 -8.52 -0.97 0
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228113 87563473 1 BrN2O2H19C20 AB2C2D19E20 -5.85 4.45 -8.23 -0.84 0
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228114 87563474 1 ON2C6H12 AB2C6D12 -27.34 3.34 -9.12 0.07 0
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228115 87563476 1 SN3O4H13C15 AB3C4D13E15 -0.2 3.26 -9.18 -1.53 0
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228116 87563477 1 N4O4H24C27 A4B4C24D27 -38.38 8.42 -8.37 -0.92 0
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228117 87563479 1 O5C7H14 A5B7C14 -234.0 2.02 -10.17 -0.04 1
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228118 87563484 1 N2O3C25H31 A2B3C25D31 -75.94 3.23 0.0 0.0 0
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228119 87563485 1 N2O3H18C23 A2B3C18D23 -1.15 2.35 -8.86 -0.98 0
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228120 87563489 1 OC14H32 AB14C32 -119.1 1.36 -9.56 2.29 0
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228121 87563491 1 NOC6H11 ABC6D11 -41.59 2.38 -9.4 0.27 0
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228122 87563492 1 O3C15H28 A3B15C28 -175.68 2.32 -10.39 -0.15 0
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228123 87563493 2 SO3H6C8 AB3C6D8 -162.83 7.35 -9.02 -2.05 0
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228124 87563495 1 PSC3O5H11 ABC3D5E11 -299.57 5.96 -11.09 0.78 0
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228125 87563496 1 O5C20H28 A5B20C28 -214.34 7.22 -8.61 -0.24 0
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228126 87563497 1 PS2C3O7H9 AB2C3D7E9 -367.36 2.32 -11.44 -0.41 0
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228127 87563498 1 PSO5C7H19 ABC5D7E19 -312.91 3.91 -10.26 0.93 0
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228128 87563499 1 PS2C7O7H17 AB2C7D7E17 -383.65 3.0 -11.22 -0.37 0
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228129 87563500 2 OC4H9 AB4C9 -132.6 3.82 -10.0 0.86 0
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228130 87563501 1 O4C13H24 A4B13C24 -220.04 5.76 -10.86 -0.16 0
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228131 87563502 1 O4C13H24 A4B13C24 -225.92 4.67 -10.99 0.05 0
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228133 87563504 1 O5C19H26 A5B19C26 -202.66 2.67 -8.79 -0.38 0
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228134 87563506 1 SO2N4C23H34 AB2C4D23E34 -64.47 6.24 -8.56 -0.7 0
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228135 87563508 1 ClO3F6H17C21 AB3C6D17E21 -399.82 5.14 -9.59 -1.2 0
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228136 87563509 1 NSO2H19C20 ABC2D19E20 -9.96 1.61 -8.61 -1.01 0
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228137 87563511 1 SN3O3C19H27 AB3C3D19E27 -133.14 7.44 -8.46 -0.34 0