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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89874 49965125 1 ION4H11C14 ABC4D11E14 90.34 6.02 -9.56 -1.18 0
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89875 49965126 1 OSN4C8H8 ABC4D8E8 69.85 1.4 -9.09 -1.58 0
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89876 49965127 1 N3O4C22H23 A3B4C22D23 -61.77 4.05 -8.95 -0.45 0
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89877 49965128 1 N3O4C23H25 A3B4C23D25 -67.24 3.51 -8.8 -0.27 0
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89878 49965129 1 FN4O5H19C21 AB4C5D19E21 -75.67 3.27 -9.74 -1.44 0
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89879 49965140 1 BrN3O4H18C19 AB3C4D18E19 -51.2 7.22 -9.4 -0.8 0
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89880 49965141 1 SN3O4C21H23 AB3C4D21E23 -65.81 8.53 -9.0 -0.91 0
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89881 49965142 1 FSN3O3H18C19 ABC3D3E18F19 -66.28 6.56 -9.47 -1.07 0
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89882 49965146 1 N3O5C24H27 A3B5C24D27 -108.05 5.72 -8.31 -0.31 0
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89883 49965151 1 BrN3O4C22H22 AB3C4D22E22 -58.23 3.12 -8.99 -0.54 0
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89884 49965176 1 N3O4C24H27 A3B4C24D27 -74.16 2.25 -8.74 -0.42 0
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89885 49965191 3 NO2C8H9 AB2C8D9 -138.14 7.55 -8.5 -0.34 0
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89886 49965196 1 N3O6C21H23 A3B6C21D23 -132.78 6.7 -8.57 -0.62 0
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89887 49965202 1 N4O5C22H24 A4B5C22D24 -87.61 1.86 -8.29 -0.55 0
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89888 49965204 1 N3O6C20H21 A3B6C20D21 -132.78 4.15 -8.89 -0.78 0
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89889 49965207 1 SN3O5C20H21 AB3C5D20E21 -97.88 4.87 -8.74 -1.0 0
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89890 49965245 1 SN2F3O4H13C17 AB2C3D4E13F17 -238.94 6.57 -9.44 -1.88 0
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89891 49965253 1 ClS2N3O5H12C16 AB2C3D5E12F16 -135.79 6.18 -9.25 -1.62 0
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89892 49965280 1 SN2O3C15H18 AB2C3D15E18 -17.95 8.42 -9.35 -1.67 0
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89893 49965282 1 Cl2S2N3O3H9C16 A2B2C3D3E9F16 -35.84 0.88 -9.2 -1.77 0
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89894 49965285 1 ClS2N3O4H16C18 AB2C3D4E16F18 -104.58 2.27 -9.07 -1.88 0
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89895 49965286 1 N3O5H19C20 A3B5C19D20 -82.98 11.5 -8.45 -2.61 1
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89896 49965289 1 N3O4C23H24 A3B4C23D24 -68.72 3.85 0.0 0.0 0
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89897 49965290 1 SN2O3C22H22 AB2C3D22E22 -64.92 4.97 -9.21 -1.07 0
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89898 49965291 1 SO3N5H15C18 AB3C5D15E18 -4.89 6.3 -9.57 -1.54 0