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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28023 824945 1 NSO3H11C12 ABC3D11E12 -93.04 4.53 -8.72 -1.12 0
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28024 824947 1 NO2C15H23 AB2C15D23 -83.74 4.05 -8.73 0.26 0
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28025 824970 1 N2O3C13H14 A2B3C13D14 -82.57 3.72 -8.81 -0.25 0
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28026 825074 1 ClNO2H12C16 ABC2D12E16 -33.24 5.37 -9.41 -1.14 0
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28027 825085 1 ClN3H12C14 AB3C12D14 78.91 6.2 -8.73 -0.74 0
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28028 825151 1 SN4C7H8 AB4C7D8 45.28 1.41 -8.09 -0.4 0
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28029 825155 1 NO4H15C19 AB4C15D19 -104.51 9.9 -9.03 -1.16 0
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28030 825156 1 NO4H15C19 AB4C15D19 -104.49 9.9 -9.03 -1.16 0
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28031 825166 1 ClSN2O3H11C16 ABC2D3E11F16 -52.55 7.75 -9.22 -2.2 0
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28032 825167 1 O4H12C17 A4B12C17 -102.51 9.56 -9.49 -1.22 0
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28033 825208 1 NO3C12H13 AB3C12D13 -95.97 5.39 -8.89 -0.48 0
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28034 825209 1 NO3Cl4H5C10 AB3C4D5E10 -110.6 4.72 -9.74 -1.94 1
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28035 825221 1 ClO2N3C18H19 AB2C3D18E19 -16.04 7.72 0.0 0.0 0
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28036 825225 1 O3N5H11C17 A3B5C11D17 29.99 6.46 -9.54 -1.02 0
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28037 825230 1 O2S3H14C15 A2B3C14D15 -3.92 3.23 -8.44 -1.1 0
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28038 825240 1 ON2S2H8C12 AB2C2D8E12 34.59 0.2 -8.94 -0.96 0
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28039 825247 1 SO2N3H15C17 AB2C3D15E17 65.99 1.29 -8.92 -0.54 0
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28040 825248 1 O2N5H13C19 A2B5C13D19 125.52 10.82 -9.02 -1.72 0
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28041 825253 1 O2S2N3H13C15 A2B2C3D13E15 86.24 2.49 -8.82 -0.84 0
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28042 825266 1 S2N3H13C18 A2B3C13D18 105.9 1.94 -8.71 -0.82 0
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28043 825290 1 NO2S2H7C10 AB2C2D7E10 -13.83 3.47 -9.19 -1.88 0
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28044 825296 1 NO4C12H15 AB4C12D15 -154.78 6.11 -8.56 -0.12 0
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28045 825307 1 NO2H15C16 AB2C15D16 -35.91 2.39 -8.84 -0.52 0
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28046 825308 1 BrN2O2C13H17 AB2C2D13E17 -91.29 2.99 -9.15 -0.75 0
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28047 825309 1 BrN2O2C13H17 AB2C2D13E17 -91.21 3.18 -9.15 -0.77 0
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28048 825310 2 NOC5H5 ABC5D5 -70.42 5.11 -9.38 -0.87 0
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28049 825314 1 NOC11H13 ABC11D13 -33.96 2.68 -8.65 0.02 0
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28050 825318 1 O2H14C17 A2B14C17 -21.12 3.52 -9.01 -0.61 0
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28051 825328 2 NOC5H6 ABC5D6 -59.72 5.99 -9.3 -0.17 0
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28052 825329 1 NSO3C14H17 ABC3D14E17 -70.66 4.46 -9.27 -0.32 0
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28053 825339 1 NOC13H13 ABC13D13 34.49 0.65 -8.8 -0.51 0
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28054 825340 1 O4H14C15 A4B14C15 -124.8 4.24 -9.71 -0.3 0
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28055 825349 1 ClSO3N4H9C11 ABC3D4E9F11 17.12 2.24 -9.82 -2.37 0
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28056 825352 1 NO2H17C22 AB2C17D22 45.16 3.26 -9.05 -0.7 0
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28057 825354 1 NOSC19H23 ABCD19E23 -35.06 3.25 -8.53 -0.41 0
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28058 825359 1 BrOSN3C12H12 ABCD3E12F12 31.58 6.12 -9.64 -1.1 0
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28059 825361 1 SO2N3C8H13 AB2C3D8E13 -53.4 5.13 -9.65 -1.08 0
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28060 825362 1 ClSO3N4H11C12 ABC3D4E11F12 16.23 7.96 -10.05 -1.72 0
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28061 825363 1 OSN3C9H15 ABC3D9E15 -24.19 2.97 -9.62 -1.09 0
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28062 825364 1 OSN4C12H14 ABC4D12E14 17.3 3.36 -9.01 -1.21 0
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28063 825365 2 OC9H14 AB9C14 -103.29 7.53 -9.47 -0.21 0
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28064 825366 2 OC9H14 AB9C14 -103.36 7.51 -9.48 -0.19 0
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28065 825367 2 OC9H14 AB9C14 -103.6 7.46 -9.46 -0.17 0
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28066 825368 2 OC9H14 AB9C14 -103.62 7.44 -9.46 -0.17 0
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28067 825369 1 SN2C9H12 AB2C9D12 27.3 6.0 -8.46 -0.43 0
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28068 825370 1 O2C19H32 A2B19C32 -24.07 5.95 -5.49 -1.91 0
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28069 825371 1 O2C19H32 A2B19C32 -20.63 5.6 -5.42 -1.93 0
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28070 825372 1 OSN3C8H13 ABC3D8E13 -14.5 5.5 -9.96 -0.9 0
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28071 825374 1 OSN3C10H17 ABC3D10E17 -22.85 6.54 -9.52 -0.9 0
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28072 825382 1 O2N3H15C21 A2B3C15D21 47.53 8.25 -8.9 -1.11 0