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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30923 853803 1 N2O2C13H14 A2B2C13D14 -24.42 4.06 -8.49 -0.19 0
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30924 853806 1 BrNOH14C18 ABCD14E18 18.04 4.74 -8.96 -0.83 0
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30925 853809 1 BrNOH14C15 ABCD14E15 -4.8 5.34 -9.08 -0.54 0
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30926 853812 1 NO3C12H21 AB3C12D21 -176.78 3.98 -10.01 0.65 0
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30927 853814 1 ClNO3C15H18 ABC3D15E18 -142.96 6.3 -9.54 -0.42 0
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30928 853815 1 ClNO3C15H18 ABC3D15E18 -142.45 5.38 -9.16 -0.14 0
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30929 853817 1 ClNO3C15H18 ABC3D15E18 -145.04 5.77 -8.88 -0.13 0
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30930 853821 1 NO3C15H19 AB3C15D19 -136.11 3.17 -8.94 0.01 0
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30931 853822 1 NO3C15H19 AB3C15D19 -136.63 3.93 -8.71 0.17 0
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30932 853823 1 N2O3C13H16 A2B3C13D16 -114.16 5.45 -9.05 -0.23 0
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30933 853824 1 N2O3C13H16 A2B3C13D16 -115.93 7.24 -9.55 -0.68 0
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30934 853825 1 N2O3C13H16 A2B3C13D16 -113.9 2.87 -9.31 -0.46 0
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30935 853835 1 NO3C16H21 AB3C16D21 -139.83 3.48 -8.53 0.18 0
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30936 853836 1 NO2C20H25 AB2C20D25 -65.68 5.58 -9.02 -0.38 0
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30937 853841 1 NOCl3H8C13 ABC3D8E13 -16.3 1.27 -9.32 -1.07 0
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30938 853848 1 NO3C16H19 AB3C16D19 -119.54 4.84 -8.72 0.04 0
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30939 853849 1 NO3C16H19 AB3C16D19 -121.25 6.42 -8.86 -0.16 0
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30940 853850 1 FNO3C14H16 ABC3D14E16 -172.1 5.92 -9.37 -0.55 0
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30941 853853 1 FNO3C14H16 ABC3D14E16 -171.74 5.41 -9.4 -0.59 0
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30942 853856 1 ClNO2C16H16 ABC2D16E16 -57.1 2.43 -8.6 -0.38 0
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30943 853857 1 ClNO3C11H12 ABC3D11E12 -130.8 7.04 -9.45 -0.69 0
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30944 853859 1 ON2H16C17 AB2C16D17 21.04 4.74 -9.37 -0.46 0
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30945 853862 1 BrFNOH13C15 ABCDE13F15 -52.57 3.93 -9.15 -0.82 0
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30946 853865 1 NSCl2O3H13C14 ABC2D3E13F14 -85.14 5.43 -8.82 -1.22 0
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30947 853871 1 ClNO2C17H18 ABC2D17E18 -60.14 2.57 -8.91 -0.37 0
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30948 853875 1 NOC17H19 ABC17D19 -21.04 6.14 -8.37 0.0 0
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30949 853885 1 SN3C5H7 AB3C5D7 26.78 8.43 -8.4 -0.58 0
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30950 853891 1 SN2C15H16 AB2C15D16 49.05 6.36 -8.5 -0.46 0
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30951 853892 1 ON2C17H20 AB2C17D20 -20.18 4.58 -8.34 -0.4 0
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30952 853893 1 ON2C17H20 AB2C17D20 -16.57 3.59 -8.46 -0.49 0
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30953 853901 1 NOSH11C14 ABCD11E14 10.06 3.98 -8.96 -0.55 0
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30954 853911 1 SN2C9H12 AB2C9D12 14.06 5.91 -8.54 -0.35 0
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30955 853917 1 FO3H15C18 AB3C15D18 -110.52 6.5 -9.28 -0.68 1
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30956 853919 1 N2C19H19 A2B19C19 80.27 2.3 0.0 0.0 0
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30957 853920 1 OSN3C19H19 ABC3D19E19 46.7 2.8 -8.57 -0.72 0
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30958 853926 1 SO2N5H15C16 AB2C5D15E16 48.73 1.99 -8.35 -1.32 0
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30959 853932 1 O3C22H24 A3B22C24 -89.67 3.43 -8.87 0.06 0
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30960 853981 1 NO4C16H19 AB4C16D19 -152.58 3.45 -8.15 0.02 0
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30961 853993 1 BrNOSH14C15 ABCDE14F15 2.29 3.49 -9.01 -0.51 0
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30962 854001 1 NOSC17H19 ABCD17E19 -15.49 3.33 -8.7 -0.33 0
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30963 854003 2 ON2H7C8 AB2C7D8 9.98 1.57 -9.53 -0.56 0
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30964 854006 1 ON2C19H22 AB2C19D22 13.15 4.42 -9.3 -0.71 0
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30965 854010 1 OSN2C13H16 ABC2D13E16 2.28 5.29 -8.59 -0.68 0
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30966 854011 1 ClON3C9H12 ABC3D9E12 -15.75 2.2 -9.01 -0.31 0
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30967 854012 2 O2C9H10 A2B9C10 -112.73 3.79 -8.19 -0.41 0
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30968 854013 1 NS2O4C12H13 AB2C4D12E13 -122.59 2.05 -9.56 -1.92 0
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30969 854014 1 BrN3H12C17 AB3C12D17 115.54 6.99 -8.59 -1.38 0
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30970 854015 1 O2N5H11C13 A2B5C11D13 20.21 7.87 -9.09 -1.58 0
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30971 854018 1 ON5C17H19 AB5C17D19 39.54 3.1 -8.59 -0.19 0
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30972 854019 1 ON2C10H12 AB2C10D12 -15.9 2.09 -9.55 -0.49 0