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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167079 74777855 1 ClN2O5C21H21 AB2C5D21E21 -96.44 2.63 -8.82 -0.71 0
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167080 74777918 1 N5O5C19H31 A5B5C19D31 -227.16 9.02 -9.33 0.24 1
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167081 74777919 1 N3O5C24H30 A3B5C24D30 -154.14 5.41 0.0 0.0 0
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167082 74778123 1 N2O4C21H24 A2B4C21D24 -116.87 4.21 -8.56 0.17 1
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167083 74778124 1 O2N6C22H29 A2B6C22D29 35.22 4.7 0.0 0.0 1
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167084 74778195 1 ON4C23H31 AB4C23D31 46.49 2.71 0.0 0.0 1
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167085 74778346 1 ClON4C23H30 ABC4D23E30 14.26 5.36 0.0 0.0 0
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167086 74778844 1 OSN5C20H23 ABC5D20E23 50.12 5.68 -8.23 -0.37 1
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167087 74779043 1 ClN4C19H28 AB4C19D28 47.94 12.1 0.0 0.0 0
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167088 74779044 1 FN3O3C19H20 AB3C3D19E20 -120.03 2.83 -9.49 -0.39 1
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167089 74779045 1 N2O2C20H27 A2B2C20D27 -27.33 9.47 0.0 0.0 1
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167090 74779195 1 O3N5C19H20 A3B5C19D20 -21.82 2.95 0.0 0.0 0
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167091 74779196 1 O3N5C19H19 A3B5C19D19 3.0 3.82 -8.57 -1.61 0
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167092 74779379 1 O2N5C23H35 A2B5C23D35 -58.65 7.28 -8.62 0.23 1
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167093 74779403 1 O3N5C23H34 A3B5C23D34 -80.99 5.84 0.0 0.0 1
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167094 74779404 1 OS2N4C21H31 AB2C4D21E31 32.92 3.11 0.0 0.0 1
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167095 74779405 1 N3O4C17H18 A3B4C17D18 -88.51 3.51 0.0 0.0 -1
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167096 74779406 1 N2S2O3C12H15 A2B2C3D12E15 -48.13 15.54 0.0 0.0 -1
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167097 74779407 1 N2S2O4C12H15 A2B2C4D12E15 -103.75 6.69 0.0 0.0 1
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167098 74779428 1 SO2N4C20H23 AB2C4D20E23 38.05 8.33 0.0 0.0 0
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167099 74779765 1 ClN2O6H17C18 AB2C6D17E18 -136.55 3.76 -9.12 -1.61 0
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167100 74779766 1 BrN4O6H15C19 AB4C6D15E19 -56.63 6.76 -9.93 -1.51 0
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167101 74779767 1 SN3O6H15C18 AB3C6D15E18 -58.01 4.4 -9.42 -1.61 0
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167102 74779768 1 ClNO5H18C19 ABC5D18E19 -173.19 5.31 -9.91 -0.75 0
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167103 74779769 1 SN2O6C24H32 AB2C6D24E32 -228.15 6.4 -8.76 -1.02 0