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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136862 52114514 1 O2F3N5C23H30 A2B3C5D23E30 -175.18 3.54 -8.72 -1.31 1
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136863 52114515 1 F3O3N5C22H29 A3B3C5D22E29 -193.8 11.32 0.0 0.0 0
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136864 52115229 1 N4O4C27H28 A4B4C27D28 -93.35 6.24 -9.36 -1.11 0
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136865 52115230 1 O3N5C24H33 A3B5C24D33 -89.84 5.97 -9.09 -0.84 0
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136866 52115625 1 FO2N3C20H24 AB2C3D20E24 -88.95 4.98 -9.35 -0.93 0
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136867 52115692 1 FO3N5C22H28 AB3C5D22E28 -127.7 5.6 -9.13 -1.09 0
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136868 52115693 1 FO4N5C23H30 AB4C5D23E30 -158.65 4.87 -9.12 -1.01 0
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136869 52115950 1 O2N4C25H28 A2B4C25D28 -7.87 5.45 -8.33 -0.85 0
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136870 52116350 2 ON2C9H12 AB2C9D12 -29.08 3.58 -8.84 -0.87 0
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136871 52116414 1 ClSO2N3H16C18 ABC2D3E16F18 -3.65 2.52 -9.16 -1.15 0
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136872 52116415 1 ClO2N3H20C21 AB2C3D20E21 -16.07 2.01 -9.4 -1.04 0
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136873 52116416 1 ClO2N3H20C21 AB2C3D20E21 -15.75 3.76 -9.53 -1.13 1
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136874 52117160 1 O3N4C19H27 A3B4C19D27 -74.6 5.36 0.0 0.0 0
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136875 52117610 1 SO2N3C20H21 AB2C3D20E21 -13.18 5.13 -9.11 -0.79 0
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136876 52117611 1 O2N3C23H25 A2B3C23D25 -25.98 4.64 -9.18 -0.9 0
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136877 52117742 1 O2N3C24H27 A2B3C24D27 -28.71 6.01 -8.95 -0.78 0
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136878 52117743 1 O2N3C24H27 A2B3C24D27 -28.26 3.6 -8.94 -0.79 0
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136879 52117744 1 O2N3C24H27 A2B3C24D27 -33.89 7.18 -8.96 -0.78 0
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136880 52117745 1 O2N3C24H27 A2B3C24D27 -33.83 5.34 -8.95 -0.79 0
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136881 52118276 1 FO3N4C18H19 AB3C4D18E19 -113.06 1.6 -9.09 -1.39 0
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136882 52118434 1 N4O5C20H22 A4B5C20D22 -150.83 5.87 -9.35 -1.0 0
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136883 52118762 2 N2O3C12H12 A2B3C12D12 -167.99 7.34 -9.2 -1.15 0
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136884 52118984 1 F2O3N4H18C21 A2B3C4D18E21 -135.32 2.41 -8.95 -1.55 0
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136885 52118985 1 ClFO3N4H18C21 ABC3D4E18F21 -94.36 1.03 -9.42 -1.45 0
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136886 52118986 1 BrFO3N4H18C21 ABC3D4E18F21 -85.8 4.74 -8.96 -1.59 0