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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47909 10535808 1 O3C11H14 A3B11C14 -127.44 1.85 -8.47 -0.06 0
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47910 10535810 1 O3C11H14 A3B11C14 -34.01 2.82 -9.74 -0.03 0
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47911 10535811 1 O3C11H14 A3B11C14 -30.15 0.81 -9.56 -0.26 0
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47912 10535812 2 NOC5H7 ABC5D7 9.37 3.94 -9.22 -0.18 0
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47913 10535813 2 NOC5H7 ABC5D7 -36.31 1.91 -9.08 0.08 0
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47914 10535814 1 OSN2C9H10 ABC2D9E10 16.26 5.23 -8.79 -0.86 0
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47915 10535818 2 OC6H9 AB6C9 -110.21 1.81 -9.74 0.26 0
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47916 10535820 2 OC6H9 AB6C9 -47.31 1.17 -10.02 0.82 0
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47917 10535822 2 OC6H9 AB6C9 -93.01 3.65 -9.79 0.73 0
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47918 10535824 2 OC6H9 AB6C9 -101.59 4.95 -9.99 0.88 0
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47919 10535829 1 ON2C11H18 AB2C11D18 -14.34 2.62 -9.46 -0.55 1
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47920 10535843 1 N3O3C8H10 A3B3C8D10 -59.84 7.66 0.0 0.0 0
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47921 10535850 1 NO2C11H17 AB2C11D17 -75.84 3.68 -9.18 0.4 0
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47922 10535851 1 NO2C11H17 AB2C11D17 -54.64 2.75 -9.17 0.85 0
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47923 10535857 1 NOC12H21 ABC12D21 -58.59 3.96 -9.23 0.64 0
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47924 10535858 1 NOC12H21 ABC12D21 -86.68 1.95 -9.25 2.75 0
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47925 10535859 1 N3C11H21 A3B11C21 17.94 4.02 -9.75 0.23 0
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47926 10535862 1 O2F3C8H11 A2B3C8D11 -249.03 3.43 -10.72 0.2 0
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47927 10535863 2 O2C5H6 A2B5C6 -136.38 1.55 -10.48 -1.27 0
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47928 10535866 1 O2H8C13 A2B8C13 -17.11 5.66 -9.42 -1.4 0
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47929 10535867 1 N2O3C9H12 A2B3C9D12 -110.8 5.6 -9.4 -0.13 0
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47930 10535868 1 N2O3C9H12 A2B3C9D12 -105.23 5.35 -9.77 -0.82 0
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47931 10535870 1 OF3C9H15 AB3C9D15 -205.34 2.28 -10.66 -0.14 0
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47932 10535876 1 O3C11H16 A3B11C16 -108.64 4.64 -9.86 0.36 0
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47933 10535877 1 O3C11H16 A3B11C16 -146.78 7.37 -10.16 -0.65 0
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47934 10535889 2 NOC5H8 ABC5D8 -35.6 1.06 -8.94 0.21 0
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47935 10535895 1 SO2C10H12 AB2C10D12 -49.85 1.72 -9.14 -0.43 0
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47936 10535896 1 OSN2C9H12 ABC2D9E12 26.36 2.62 -9.1 -0.52 0
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47937 10535897 2 OC6H10 AB6C10 -106.57 1.59 -9.55 0.69 0
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47938 10535898 2 OC6H10 AB6C10 -108.4 2.28 -9.68 0.67 0
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47939 10535899 2 OC6H10 AB6C10 -121.11 2.07 -10.35 0.94 0
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47941 10535916 1 O3C4N4H8 A3B4C4D8 -65.24 1.64 -9.64 -0.89 0
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47942 10535938 1 ClNOC10H12 ABCD10E12 -39.67 2.84 -8.51 -0.63 0
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47943 10535950 2 O2C5H7 A2B5C7 -10.2 4.94 -8.86 -0.02 0
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47944 10535961 1 O3C11H18 A3B11C18 -140.62 6.64 -10.51 -0.24 0
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47945 10535962 1 O3C11H18 A3B11C18 -148.31 3.57 -10.46 0.0 0
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47946 10535968 1 N2C13H14 A2B13C14 38.45 1.33 -8.24 0.28 0
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47947 10535973 1 OSN2C9H14 ABC2D9E14 -22.88 3.0 -9.09 -0.06 0
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47948 10535980 1 ClN2H3O3C7 AB2C3D3E7 3.68 5.56 -10.57 -1.99 0
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47949 10535999 1 NSO2C9H13 ABC2D9E13 -69.5 2.52 -9.78 -0.91 0
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47950 10536024 2 O2C5H8 A2B5C8 -184.99 2.19 -9.86 0.12 0
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47951 10536031 1 SN2O2C8H12 AB2C2D8E12 -78.76 2.1 -9.13 -0.99 0
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47952 10536032 1 SN2H8C11 AB2C8D11 86.47 6.12 -9.35 -1.35 0
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47953 10536036 1 O3C11H20 A3B11C20 -135.24 1.83 -9.69 0.89 0
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47954 10536037 1 O3C11H20 A3B11C20 -166.68 2.49 -10.2 0.52 0
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47955 10536038 1 O3C11H20 A3B11C20 -168.88 2.6 -9.65 0.66 0
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47956 10536044 1 OC14H16 AB14C16 -21.15 3.82 -9.16 0.27 0
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47957 10536045 1 OC14H16 AB14C16 -17.73 1.48 -8.32 -0.33 0
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47958 10536046 2 NOC5H10 ABC5D10 -99.28 6.09 -9.48 0.28 0
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47959 10536047 2 SN2C3H4 AB2C3D4 98.97 4.78 -9.33 -1.62 0