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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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29873 837934 1 NO2C11H15 AB2C11D15 -85.04 2.76 -8.43 -0.01 0
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29874 837935 1 NO5C16H17 AB5C16D17 -155.05 7.28 -8.51 -0.57 0
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29875 837936 1 N2O3H12C15 A2B3C12D15 -7.56 5.52 -8.77 -1.35 0
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29876 837947 1 O5C17H18 A5B17C18 -149.03 5.81 -8.48 -0.57 0
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29877 837954 1 N2O5H8C14 A2B5C8D14 -14.11 2.6 -9.63 -2.05 0
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29878 837966 1 NOCl2C11H13 ABC2D11E13 -59.46 3.93 -9.14 -0.54 0
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29879 837981 1 O6C17H18 A6B17C18 -180.26 8.36 -8.39 -0.55 0
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29880 837985 1 NOSC17H19 ABCD17E19 -10.99 3.78 -8.3 -0.04 0
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29881 837986 1 NSO2C18H23 ABC2D18E23 -62.72 5.52 -8.77 -0.51 0
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29882 837990 1 N5C14H23 A5B14C23 8.82 1.44 -8.45 0.57 0
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29883 837992 1 NO4C18H21 AB4C18D21 -117.81 6.78 -8.35 -0.45 0
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29884 837996 1 ClNO4C17H18 ABC4D17E18 -126.52 8.76 -8.65 -0.58 0
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29885 838006 1 ClNO2C11H14 ABC2D11E14 -94.89 4.8 -8.74 -0.47 0
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29886 838007 1 ClNO2C11H14 ABC2D11E14 -93.52 4.67 -8.77 -0.48 0
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29887 838008 1 ClNOC12H16 ABCD12E16 -59.51 3.83 -8.9 -0.09 0
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29888 838040 1 N2O5C14H16 A2B5C14D16 -116.47 4.31 -8.57 -0.6 0
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29889 838041 1 ClNO4C17H18 ABC4D17E18 -127.57 10.15 -8.51 -0.58 0
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29890 838042 1 NOC18H25 ABC18D25 -47.02 2.92 -9.24 0.26 0
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29891 838043 1 O6C17H18 A6B17C18 -174.12 5.48 -8.35 -0.44 0
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29892 838044 1 NO6C18H19 AB6C18D19 -192.88 5.99 -8.64 -0.67 0
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29893 838045 1 ClO5H15C16 AB5C15D16 -152.37 6.15 -8.9 -0.73 0
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29894 838046 1 O5C18H20 A5B18C20 -160.69 3.7 -8.6 -0.53 0
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29895 838049 1 NO5C18H21 AB5C18D21 -152.03 5.56 -8.25 -0.19 0
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29896 838051 1 O5C18H26 A5B18C26 -209.24 5.25 -8.61 -0.29 0
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29897 838055 1 O5C18H20 A5B18C20 -158.64 8.08 -8.76 -0.57 0
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29898 838056 1 NO4C17H19 AB4C17D19 -112.13 3.68 -8.5 -0.34 0
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29899 838057 1 NO4C15H23 AB4C15D23 -157.55 5.89 -8.33 -0.25 2
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29900 838062 1 O2N4C15H18 A2B4C15D18 29.71 10.22 -5.36 -2.89 0
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29901 838064 1 NO2C18H19 AB2C18D19 -47.74 6.9 -9.1 -0.6 0
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29902 838072 1 NO3C14H19 AB3C14D19 -133.89 1.59 -9.04 -0.56 0
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29903 838094 1 ON2C19H22 AB2C19D22 -17.2 4.12 -7.88 -0.24 0
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29904 838115 1 ClN2O2C18H23 AB2C2D18E23 -103.74 1.94 -8.65 -0.19 0
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29905 838133 1 NSO5H13C14 ABC5D13E14 -156.51 5.57 -9.28 -0.98 0
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29906 838140 1 ClN2O2C15H21 AB2C2D15E21 -106.67 5.05 -9.21 -0.66 0
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29907 838142 1 ClFN2O2H16C17 ABC2D2E16F17 -107.82 6.91 -8.91 -0.98 0
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29908 838151 1 NO4C17H17 AB4C17D17 -141.7 6.61 -8.7 -0.78 0
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29909 838156 1 O5C18H18 A5B18C18 -164.07 3.33 -8.96 -0.9 0
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29910 838174 1 ClN2O2C15H21 AB2C2D15E21 -106.53 5.12 -9.19 -0.66 0
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29911 838176 1 NO2C12H15 AB2C12D15 -77.97 1.52 -9.03 -0.5 0
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29912 838190 1 NO3C17H19 AB3C17D19 -92.9 3.39 -8.62 -0.09 0
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29913 838191 1 N2O2C21H28 A2B2C21D28 -68.53 2.67 -7.76 0.09 0
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29914 838192 1 ClON2C13H17 ABC2D13E17 -52.22 3.66 -8.85 -0.45 0
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29915 838196 1 ClON2C15H15 ABC2D15E15 -18.47 5.88 -8.72 -0.58 0
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29916 838202 1 NO5C19H21 AB5C19D21 -184.39 2.1 -8.81 -0.78 0
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29917 838203 1 ClNO4C18H18 ABC4D18E18 -137.04 3.08 -9.25 -0.95 0
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29918 838218 1 SN2O3C18H18 AB2C3D18E18 -73.15 4.92 -8.55 -0.85 0
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29919 838255 1 N2O3C17H22 A2B3C17D22 -129.67 3.54 -9.06 -0.16 0
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29920 838256 1 Cl2O2N3C13H13 A2B2C3D13E13 -37.32 3.95 -10.21 -1.42 0
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29921 838259 1 ClNO4H10C15 ABC4D10E15 -85.79 5.82 -10.7 -2.34 0
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29922 838267 1 ClNOH8C13 ABCD8E13 34.24 3.85 -9.09 -1.13 0