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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89223 49960054 1 BrN2O3C20H21 AB2C3D20E21 -31.11 3.48 -9.0 -0.97 0
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89224 49960056 1 BrN2O3H13C15 AB2C3D13E15 -0.72 3.49 -8.91 -1.38 0
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89225 49960057 1 N2O3H16C17 A2B3C16D17 -4.85 3.19 -8.84 -1.38 0
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89226 49960059 1 BrClN2O2H14C20 ABC2D2E14F20 33.95 3.1 -9.15 -0.81 0
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89227 49960060 2 NOH10C11 ABC10D11 22.56 4.54 -8.76 -0.73 0
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89228 49960061 1 BrN2O2H17C21 AB2C2D17E21 34.6 4.4 -9.06 -0.84 0
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89229 49960062 1 N2O2C21H24 A2B2C21D24 -7.89 4.63 -8.82 -0.95 0
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89230 49960076 1 Br2N2O3H16C22 A2B2C3D16E22 26.07 6.44 -8.94 -1.17 0
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89231 49960081 1 Br2N2O3H18C22 A2B2C3D18E22 5.6 4.02 -9.01 -1.19 0
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89232 49960085 1 BrN3O4H12C16 AB3C4D12E16 21.22 3.05 -9.17 -1.93 0
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89233 49960088 1 Cl2N2O2H12C17 A2B2C2D12E17 27.05 5.17 -9.21 -1.24 0
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89234 49960092 1 N3O4H15C17 A3B4C15D17 13.97 1.5 -9.01 -1.82 0
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89235 49960093 1 ClN3O4H10C15 AB3C4D10E15 21.02 8.0 -9.45 -1.77 0
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89236 49960096 1 FBr2N2O2H13C21 AB2C2D2E13F21 19.68 4.67 -8.99 -1.4 0
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89237 49960097 1 Br2N2O4H18C23 A2B2C4D18E23 -12.13 3.86 -8.59 -1.21 0
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89238 49960104 1 Br2N2O3H16C21 A2B2C3D16E21 -9.25 4.56 -8.77 -1.04 0
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89239 49960108 1 BrN3O3H10C15 AB3C3D10E15 52.44 2.64 -9.63 -1.8 0
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89240 49960119 1 Br2N2O2H16C25 A2B2C2D16E25 77.88 2.86 -9.02 -1.19 0
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89241 49960120 1 ClN2Br3O3H12C20 AB2C3D3E12F20 18.04 3.8 -9.06 -1.28 0
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89242 49960121 1 ClBr2N2O3H17C22 AB2C2D3E17F22 -8.66 1.36 -9.01 -1.24 0
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89243 49960122 1 ClBr2N2O3H15C21 AB2C2D3E15F21 -20.17 4.59 -9.12 -1.31 0
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89244 49960123 1 Br2N2O3H20C23 A2B2C3D20E23 0.68 3.25 -8.98 -1.08 0
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89245 49960124 1 ClBr2N2O2H13C21 AB2C2D2E13F21 58.19 5.42 -8.94 -1.37 0
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89246 49960125 1 Br2N2O3H16C22 A2B2C3D16E22 26.47 6.81 -8.92 -1.17 0
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89247 49960127 1 Br2N2O3H18C22 A2B2C3D18E22 -0.61 2.27 -8.99 -1.1 0