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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28923 830693 2 NO2H7C8 AB2C7D8 10.36 4.83 -8.82 -0.83 0
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28924 830694 1 BrNOH12C17 ABCD12E17 23.79 2.4 -9.04 -0.95 0
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28925 830707 1 Cl2O3H12C16 A2B3C12D16 -89.83 3.34 -9.76 -1.16 0
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28926 830716 1 BrO3H13C16 AB3C13D16 -67.53 4.09 -9.67 -1.16 0
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28927 830719 1 O2N5C18H21 A2B5C18D21 -23.25 5.37 -8.5 -0.58 0
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28928 830720 1 ClFNO2H9C13 ABCD2E9F13 -90.44 5.25 -8.87 -1.06 0
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28929 830721 1 N2O3H16C20 A2B3C16D20 -23.47 2.14 -8.77 -0.94 0
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28930 830724 1 O3C18H32 A3B18C32 -203.8 2.83 -9.91 0.96 0
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28931 830738 1 N2O3H16C18 A2B3C16D18 -80.53 6.83 -8.7 -1.42 0
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28932 830741 1 ClNOSH12C19 ABCDE12F19 35.92 4.99 -8.46 -0.62 0
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28933 830749 2 N2H7C10 A2B7C10 125.5 0.08 -8.7 -1.18 0
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28934 830750 1 N2O5C18H18 A2B5C18D18 -119.04 4.35 -8.31 -0.82 0
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28935 830759 1 ClN2O3H13C15 AB2C3D13E15 -48.74 6.97 -9.03 -0.84 0
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28936 830770 1 ClO2N3H16C18 AB2C3D16E18 11.91 9.98 -8.41 -0.6 0
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28937 830795 1 ON5H15C19 AB5C15D19 116.1 2.76 -9.14 -1.15 0
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28938 830798 2 NOC8H9 ABC8D9 -48.83 7.53 -8.86 -0.41 0
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28939 830799 1 ClN2O2C17H17 AB2C2D17E17 -19.76 3.48 -8.76 -0.98 0
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28940 830803 1 NO4C20H25 AB4C20D25 -157.53 4.18 -8.52 -0.12 0
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28941 830804 1 NO2H21C22 AB2C21D22 -20.87 2.67 -8.96 -0.77 0
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28942 830810 2 NOH6C9 ABC6D9 -2.84 4.83 -8.7 -1.26 0
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28943 830811 1 N3O4H15C18 A3B4C15D18 -122.19 5.43 -8.56 -1.49 0
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28944 830815 1 ON2C13H14 AB2C13D14 34.46 3.17 -9.16 -0.55 0
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28945 830816 1 N3O3C16H17 A3B3C16D17 -61.51 3.93 -8.4 -0.92 0
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28946 830827 1 NO2H13C18 AB2C13D18 -32.57 2.97 -9.55 -0.24 0
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28947 830828 1 BrNO3H14C16 ABC3D14E16 -20.26 4.22 -9.24 -0.71 0
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28948 830834 1 N2S2O3H14C16 A2B2C3D14E16 -47.82 7.56 -8.95 -1.68 0
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28949 830837 1 ClN2O4H11C17 AB2C4D11E17 -34.91 8.76 -9.15 -1.51 0
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28950 830838 1 O2N3H13C15 A2B3C13D15 54.9 7.17 -9.72 -1.42 0
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28951 830840 1 SN3O3H9C16 AB3C3D9E16 65.45 5.73 -9.08 -1.74 0
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28952 830842 1 N2O3H12C17 A2B3C12D17 -24.67 6.07 -9.48 -1.31 0
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28953 830844 1 FO2C17H17 AB2C17D17 -103.66 1.34 -9.05 -0.94 0
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28954 830851 1 N2O2C11H14 A2B2C11D14 -59.47 5.3 -9.7 -0.63 0
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28955 830852 1 NOC18H21 ABC18D21 -5.96 2.08 -8.94 0.25 0
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28956 830857 1 S2N4H16C17 A2B4C16D17 75.65 2.19 -8.42 -0.32 0
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28957 830862 1 NOS3C17H19 ABC3D17E19 -1.91 2.11 -8.45 -1.87 0
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28958 830875 1 ON4H12C16 AB4C12D16 70.4 5.92 -9.03 -1.26 0
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28959 830877 1 N4O4H12C17 A4B4C12D17 53.74 5.34 -9.27 -2.22 1
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28960 830878 1 SN2O3C16H25 AB2C3D16E25 -110.03 7.95 0.0 0.0 0
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28961 830879 1 ClN2O3H15C17 AB2C3D15E17 -90.49 6.16 -8.93 -0.45 0
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28962 830888 2 NOC8H15 ABC8D15 -131.45 2.27 -9.94 0.78 1
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28963 830893 1 NO2C16H28 AB2C16D28 -90.47 4.21 0.0 0.0 0
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28964 830897 1 NO5C16H19 AB5C16D19 -199.58 4.55 -10.22 -1.46 0
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28965 830906 1 NO4H15C19 AB4C15D19 -76.98 3.28 -8.53 -0.79 0
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28966 830908 1 N3O4C17H21 A3B4C17D21 -150.99 2.16 -8.97 -0.61 0
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28967 830910 1 OSN2H12C16 ABC2D12E16 55.46 4.84 -8.68 -1.55 0
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28968 830913 2 NOH8C9 ABC8D9 -7.24 3.18 -9.26 -1.29 0
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28969 830915 1 N2O4C19H22 A2B4C19D22 -109.38 3.12 -8.4 -0.74 0
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28970 830918 1 BrN2O2H9C16 AB2C2D9E16 7.64 5.82 -9.0 -1.26 0
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28971 830919 1 BrN2O2H9C16 AB2C2D9E16 12.04 5.59 -9.13 -1.4 0
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28972 830923 2 NO2H8C9 AB2C8D9 -128.87 2.2 -8.66 -0.76 0