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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167054 74773835 1 FON2S2H11C16 ABC2D2E11F16 19.28 4.7 -9.15 -1.5 -1
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167055 74774054 1 N3O5H18C20 A3B5C18D20 -63.23 8.94 0.0 0.0 1
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167056 74774448 1 FON2C18H26 ABC2D18E26 -67.55 5.0 0.0 0.0 2
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167057 74774743 1 N2O3C21H30 A2B3C21D30 -37.11 6.87 -6.53 -0.23 2
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167058 74774783 1 FON5C22H34 ABC5D22E34 -51.68 6.56 -8.26 0.12 0
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167059 74775049 1 ON6C23H26 AB6C23D26 90.39 6.65 -8.91 -0.01 1
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167060 74775086 1 O2N3C17H24 A2B3C17D24 -11.6 4.61 0.0 0.0 1
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167061 74775196 1 O3N4C21H31 A3B4C21D31 -79.44 3.9 0.0 0.0 1
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167062 74775197 1 SO2N5C20H36 AB2C5D20E36 -48.38 8.78 0.0 0.0 1
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167063 74775244 1 FSO2N5C22H25 ABC2D5E22F25 -10.69 8.95 0.0 0.0 1
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167064 74775364 1 ClO3N5H23C25 AB3C5D23E25 12.35 8.43 0.0 0.0 0
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167065 74775437 1 O5H16C19 A5B16C19 -122.33 1.55 -8.46 -0.91 0
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167066 74775438 1 ClO4H19C20 AB4C19D20 -108.65 4.88 -8.32 -1.11 -1
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167067 74775583 1 N2O3H11C13 A2B3C11D13 -44.9 2.97 0.0 0.0 0
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167068 74775720 1 SN2O6H18C21 AB2C6D18E21 -67.85 7.81 -8.79 -1.64 0
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167069 74775721 1 NO4H17C18 AB4C17D18 -46.92 6.12 -9.28 -1.6 0
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167070 74776534 1 O4N6C19H24 A4B6C19D24 -92.59 3.49 -8.56 -0.57 0
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167071 74776630 1 F2O2N7C23H23 A2B2C7D23E23 -55.77 9.07 -8.33 -1.31 0
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167072 74776631 1 F2O2N7C23H23 A2B2C7D23E23 -52.42 7.01 -8.41 -1.39 0
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167073 74776633 1 O2F3N7C24H24 A2B3C7D24E24 -121.06 8.9 -8.3 -1.36 0
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167074 74776763 1 S2N3O4C20H25 A2B3C4D20E25 -155.17 2.51 -8.88 -0.91 1
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167075 74777167 1 FON2C21H30 ABC2D21E30 -66.99 4.96 0.0 0.0 1
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167076 74777179 1 F2N2O2C22H25 A2B2C2D22E25 -119.61 3.15 0.0 0.0 1
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167077 74777491 1 N2O5C22H31 A2B5C22D31 -135.45 7.43 0.0 0.0 0
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167078 74777850 1 N3O4C26H33 A3B4C26D33 -135.18 3.88 -8.77 -1.05 0
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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