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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1865 5231 1 SN2O4C7H12 AB2C4D7E12 -136.99 4.54 -9.58 -1.42 0
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1866 5232 1 SN2O4C10H18 AB2C4D10E18 -150.11 4.3 -9.54 -1.39 0
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1867 5236 1 FC2H2O2 AB2C2D2 -80.09 2.25 0.0 0.0 -1
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1868 5237 1 FC2O2H3 AB2C2D3 -133.77 3.29 -11.47 0.16 0
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1869 5238 1 INa AB -19.78 10.39 -7.43 -0.14 0
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1870 5240 1 IC2O2H3 AB2C2D3 -74.28 4.18 -10.71 -2.0 0
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1871 5241 1 N2O2I3C12H13 A2B2C3D12E13 0.59 9.38 -9.05 -1.47 0
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1872 5242 1 NNaC2H2O3 ABC2D2E3 -160.62 8.74 -9.33 0.14 0
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1873 5243 1 NS2O8H15C18 AB2C8D15E18 -237.43 3.08 -9.59 -1.26 0
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1874 5245 1 NP2C7O7H11 AB2C7D7E11 -383.19 2.93 -10.14 -0.4 0
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1875 5247 1 NSO7C26H45 ABC7D26E45 -382.48 10.41 -9.94 0.17 0
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1876 5252 1 FN2O3H9C11 AB2C3D9E11 -143.08 3.12 -9.39 -0.83 0
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1877 5253 1 SN2O3C12H20 AB2C3D12E20 -122.86 4.68 -8.77 0.16 0
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1878 5254 1 O5H22C25 A5B22C25 -151.74 8.89 -9.06 -0.78 0
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1879 5261 1 PN2O6C41H84 AB2C6D41E84 -386.94 11.69 0.0 0.0 1
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1880 5265 1 FO2N3C23H26 AB2C3D23E26 -76.09 3.89 -8.79 -0.73 0
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1881 5266 1 N2O14C43H74 A2B14C43D74 -647.48 2.2 -8.63 0.19 0
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1882 5267 1 SO4C24H32 AB4C24D32 -206.86 5.22 -9.61 -0.12 0
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1883 5268 1 N3O3C22H25 A3B3C22D25 -59.67 5.22 -8.53 -0.16 0
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1884 5269 1 O2H10C13 A2B10C13 -44.22 4.56 -8.96 -0.79 0
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1885 5270 1 ON5C9H11 AB5C9D11 18.14 1.74 -8.96 -0.41 0
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1886 5278 1 BrFN2O3H12C17 ABC2D3E12F17 -96.93 2.24 -9.54 -1.24 0
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1887 5279 1 O3N4H26C28 A3B4C26D28 -32.96 7.62 -7.98 -0.77 0
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1888 5280 2 NO2C5H7 AB2C5D7 -179.04 4.8 -9.59 -0.44 0
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1889 5281 2 OC9H18 AB9C18 -178.04 2.14 -10.79 0.56 0
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1890 5282 1 NO4C25H50 AB4C25D50 -242.35 6.33 0.0 0.0 1
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1891 5284 2 O2C15H19 A2B15C19 -156.93 5.14 -9.16 -0.89 0
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1892 5287 2 O2C15H20 A2B15C20 -160.24 6.1 -8.92 -0.86 0
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1893 5288 1 O4C31H42 A4B31C42 -161.37 4.75 -8.69 -0.97 0
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1894 5290 1 NO4C19H21 AB4C19D21 -117.74 5.4 -8.44 0.0 0
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1895 5291 1 ON7C29H31 AB7C29D31 83.47 6.57 -8.49 -0.68 0
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1896 5292 1 O5C30H42 A5B30C42 -178.63 2.22 -8.33 -0.36 0
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1897 5294 1 O5C26H42 A5B26C42 -176.72 5.89 -9.14 -0.39 0
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1898 5297 1 N7O12C21H39 A7B12C21D39 -483.46 5.27 -9.51 -0.19 0
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1899 5298 1 N4O8H22C25 A4B8C22D25 -197.82 9.69 -8.91 -2.0 0
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1900 5299 1 N3O7C8H15 A3B7C8D15 -247.84 2.26 -10.18 -0.79 0
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1901 5300 1 N3O7C8H15 A3B7C8D15 -260.86 2.73 -10.5 -1.13 0
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1902 5303 1 O6C23H32 A6B23C32 -277.91 6.65 -10.08 -0.74 0
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1903 5304 1 N2O2C21H22 A2B2C21D22 34.96 5.23 -8.71 -0.01 0
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1904 5305 1 N2O2C25H30 A2B2C25D30 -41.29 2.57 -8.98 -1.01 0
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1905 5309 1 SN3O3C19H21 AB3C3D19E21 -70.23 2.16 -8.4 -1.24 0
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1906 5310 1 OC15H22 AB15C22 -47.39 3.78 -9.87 0.05 0
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1907 5311 1 N2O3C14H20 A2B3C14D20 -98.64 4.86 -8.86 0.1 0
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1908 5312 1 O4C7H10 A4B7C10 -186.4 4.73 -10.27 0.02 0
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1909 5318 1 SN2Cl3H15C18 AB2C3D15E18 51.13 3.01 -9.41 -1.01 0
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1910 5324 1 SO2N4C7H10 AB2C4D7E10 -48.82 5.98 -9.05 -0.15 0
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1911 5328 1 O2S2N4C9H10 A2B2C4D9E10 -12.44 10.21 -8.98 -0.77 0
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1912 5331 1 NS2C9O10H15 AB2C9D10E15 -416.29 4.69 -10.77 -1.48 0
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1913 5332 1 SO3N4C11H12 AB3C4D11E12 -61.17 8.75 -9.39 -0.56 0
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1914 5333 1 SN2O2C6H8 AB2C2D6E8 -55.93 6.79 -9.16 -0.27 0