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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27048 813658 1 FN3O3C15H16 AB3C3D15E16 -83.22 3.32 -9.7 -0.81 0
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27049 813668 1 N3O5C17H21 A3B5C17D21 -124.08 3.92 -9.3 -0.48 0
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27050 813669 1 N2O4C13H14 A2B4C13D14 -140.48 1.89 -8.47 -0.81 0
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27051 813670 1 FN3O3C15H16 AB3C3D15E16 -89.11 6.88 -9.68 -0.67 0
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27052 813671 1 N3O4C16H19 A3B4C16D19 -82.95 4.01 -9.05 -0.45 0
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27053 813703 1 N2O3C14H16 A2B3C14D16 -113.68 2.63 -8.15 -0.69 0
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27054 813925 1 SO2N3C18H27 AB2C3D18E27 -80.27 6.88 -9.15 -0.76 0
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27055 813946 1 ON4H10C11 AB4C10D11 105.55 8.13 -8.11 -1.46 0
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27056 813959 1 SO2N4C16H18 AB2C4D16E18 -8.88 6.86 -9.14 -1.06 0
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27057 813969 1 SO2N4C17H22 AB2C4D17E22 -42.07 6.45 -9.11 -0.97 0
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27058 814039 1 N3O3C19H23 A3B3C19D23 -45.27 7.97 -9.46 -0.44 0
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27059 814096 1 SN3O3C17H19 AB3C3D17E19 -54.32 3.53 -9.13 -0.66 0
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27060 814097 1 ClSO2N3C16H16 ABC2D3E16F16 -18.44 4.87 -9.01 -0.76 0
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27061 814098 1 SO2N3C14H21 AB2C3D14E21 -74.64 5.8 -8.93 -0.37 0
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27062 814118 1 N3O4C14H17 A3B4C14D17 -73.37 5.57 -9.51 -0.61 0
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27063 814120 1 SN3O3C15H19 AB3C3D15E19 -50.3 5.31 -9.38 -0.44 0
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27064 814122 1 NSO4H17C18 ABC4D17E18 -87.1 3.66 -8.19 -1.13 0
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27065 814125 1 N3O3C19H23 A3B3C19D23 -27.87 4.8 -9.28 -0.24 0
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27066 814126 1 N3O3C19H23 A3B3C19D23 -35.59 6.44 -9.4 0.06 0
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27067 814153 1 ClFNO2H13C15 ABCD2E13F15 -89.83 2.28 -9.25 -0.43 0
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27068 814155 1 FNCl2O2H12C15 ABC2D2E12F15 -97.61 2.27 -9.39 -0.81 0
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27069 814159 1 N4O4C17H22 A4B4C17D22 -65.77 6.13 -8.73 -0.85 0
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27070 814260 1 SO2N3H17C18 AB2C3D17E18 -8.65 6.5 -9.11 -0.97 0
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27071 814262 1 ClSO2N3C15H16 ABC2D3E15F16 -34.45 4.67 -9.09 -0.58 0
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27072 814263 1 SN2O4C15H16 AB2C4D15E16 -42.27 8.01 -8.79 -1.86 0