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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137362 52198220 1 NSO5C19H21 ABC5D19E21 -131.86 5.38 -8.88 -0.83 0
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137363 52198221 1 NOSH11C15 ABCD11E15 61.3 4.75 -9.42 -1.04 0
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137364 52198222 1 NSO2H13C16 ABC2D13E16 21.92 5.32 -8.9 -0.96 1
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137365 52198459 1 O3N5C18H24 A3B5C18D24 -66.99 3.3 0.0 0.0 0
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137366 52199007 1 O2N3C21H25 A2B3C21D25 -44.11 7.19 -8.58 0.09 0
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137367 52199016 1 O2N3C15H21 A2B3C15D21 -69.2 7.1 -8.59 0.1 0
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137368 52199379 1 O3N4C19H20 A3B4C19D20 -63.46 8.06 -8.55 -0.55 0
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137369 52199380 1 O3N4C19H20 A3B4C19D20 -56.96 8.35 -8.83 -0.55 0
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137370 52200069 1 O3N4C22H24 A3B4C22D24 -38.77 3.22 -8.75 -0.34 0
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137371 52200086 1 FO2N3C17H26 AB2C3D17E26 -125.62 4.52 -8.61 -0.06 0
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137372 52200414 1 FSN3O3C15H16 ABC3D3E15F16 -116.46 7.3 -9.35 -0.76 0
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137373 52200453 1 ClFO2N3C19H19 ABC2D3E19F19 -106.63 4.11 -8.64 -0.21 0
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137374 52200864 1 ClFN2O3C17H18 ABC2D3E17F18 -136.84 3.52 -8.3 -0.38 0
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137375 52201012 1 ClFON4H18C20 ABCD4E18F20 8.87 2.19 -8.54 -1.08 0
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137376 52201019 1 NO2C19H21 AB2C19D21 -54.37 3.48 -8.64 -0.21 0
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137377 52201510 2 N2O2C11H12 A2B2C11D12 -59.53 3.85 -8.51 -0.97 0
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137378 52201547 1 SO2N3H21C23 AB2C3D21E23 11.06 6.46 -8.78 -1.19 1
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137379 52201548 1 O3N4C19H29 A3B4C19D29 -22.3 1.98 0.0 0.0 0
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137380 52201549 1 O3N4C19H28 A3B4C19D28 -41.79 1.54 -8.3 -0.16 0
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137381 52201659 1 N2O3C18H22 A2B3C18D22 -74.16 3.58 -8.26 0.09 0
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137382 52201982 1 OSN3C21H27 ABC3D21E27 -0.01 4.25 -8.62 -0.04 0
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137383 52202012 1 FO2N3C24H30 AB2C3D24E30 -66.99 3.35 -8.3 -0.32 1
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137384 52202275 1 N3O4C20H28 A3B4C20D28 -62.39 6.28 0.0 0.0 0
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137385 52202857 1 FNS2O3C13H16 ABC2D3E13F16 -161.21 8.38 -9.43 -0.92 0
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137386 52202858 1 FNS2O3C13H16 ABC2D3E13F16 -161.13 6.25 -9.4 -0.94 0