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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229040 87566831 2 SO2N3C5H6 AB2C3D5E6 -91.78 5.04 -9.51 -1.81 0
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229041 87566832 2 OSN3C5H6 ABC3D5E6 -18.57 6.06 -9.44 -1.18 0
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229042 87566833 1 ClFSN3O3C25H31 ABCD3E3F25G31 -115.42 4.28 -8.66 -0.17 0
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229043 87566835 1 ClFSN4O5C24H28 ABCD4E5F24G28 -189.96 9.49 -9.86 -1.04 0
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229044 87566836 1 FSN4O5C24H27 ABC4D5E24F27 -145.13 7.87 -9.07 -0.67 0
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229045 87566837 1 ClFSN3O3C25H31 ABCD3E3F25G31 -121.63 6.62 -8.63 -0.01 0
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229046 87566838 1 FSN3O3C25H30 ABC3D3E25F30 -85.37 4.81 -8.47 -0.23 0
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229047 87566841 1 SO6C7H12 AB6C7D12 -266.96 3.34 -10.82 -0.27 0
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229048 87566842 1 SF3N5O5C14H18 AB3C5D5E14F18 -275.58 7.35 -9.01 -1.0 0
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229049 87566843 1 SO3N5C12H17 AB3C5D12E17 -38.23 5.17 -9.05 -0.76 0
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229050 87566845 1 FSN4O5C24H27 ABC4D5E24F27 -152.33 0.7 -9.13 -1.16 0
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229051 87566847 1 NO2S3C8H9 AB2C3D8E9 -54.26 5.4 -9.23 -2.0 0
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229052 87566848 1 NO2S3C8H11 AB2C3D8E11 -54.22 4.48 -8.49 -1.15 0
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229053 87566849 1 SN2O7C17H30 AB2C7D17E30 -345.55 3.68 -9.51 0.09 0
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229054 87566850 2 NSO3C7H9 ABC3D7E9 -237.28 8.21 -9.18 -1.36 0
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229055 87566852 1 F4N7O8C46H53 A4B7C8D46E53 -401.28 11.77 -8.6 -1.55 0
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229056 87566853 1 F4N7O8C46H57 A4B7C8D46E57 -524.64 8.07 -8.35 -0.32 0
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229057 87566854 1 MoNO3C10H11 ABC3D10E11 12.47 9.85 -7.58 0.46 0
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229058 87566856 1 OS2N3H27C29 AB2C3D27E29 101.42 2.97 -8.8 -0.77 0
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229059 87566857 1 O2N5C24H33 A2B5C24D33 -32.16 6.66 -8.87 -0.47 1
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229060 87566859 1 PBr2Cl2O3F4H6C14 AB2C2D3E4F6G14 -288.43 3.62 0.0 0.0 0
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229061 87566860 1 ClO2N4H9C10 AB2C4D9E10 -3.73 3.45 -9.75 -1.0 0
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229062 87566861 1 N2O3C10H22 A2B3C10D22 -137.26 5.62 -9.64 0.78 0
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229063 87566862 1 NZnO4C10H11 ABC4D10E11 -111.2 3.0 -8.41 -1.42 0
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229064 87566863 1 NO4C10H11 AB4C10D11 -138.31 2.77 -8.52 -1.17 0