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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216873 85086906 1 S2O3C15H18 A2B3C15D18 -83.49 4.39 -8.64 -0.18 0
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216874 85086915 1 NO3C19H21 AB3C19D21 -75.63 7.18 -8.98 -0.29 0
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216875 85086916 1 NO3C19H21 AB3C19D21 -85.28 4.79 -9.39 -0.15 0
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216876 85086917 1 O2N3C18H25 A2B3C18D25 -75.74 4.27 -9.41 -0.12 0
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216877 85086918 1 ON5C17H21 AB5C17D21 25.34 3.6 -9.12 -0.68 0
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216878 85086919 1 NSO3C16H25 ABC3D16E25 -146.64 4.18 -9.23 -0.74 0
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216879 85086920 1 ClNOH18C19 ABCD18E19 4.59 5.09 -9.75 -0.77 0
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216880 85086921 1 N2O2F6H6C11 A2B2C6D6E11 -293.91 3.06 -11.54 -1.3 0
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216881 85086922 1 O5H16C18 A5B16C18 -137.99 7.01 -9.47 -1.18 0
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216882 85086923 1 O5H16C18 A5B16C18 -124.54 7.32 -8.94 -0.9 0
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216883 85086924 1 O5H16C18 A5B16C18 -128.29 4.31 -9.96 -0.87 0
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216884 85086925 1 SN2O3H12C16 AB2C3D12E16 -34.29 7.28 -9.03 -1.72 0
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216885 85086926 1 N2O3C18H20 A2B3C18D20 -28.87 2.24 -8.64 -0.84 0
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216886 85086928 1 O3C20H24 A3B20C24 -100.5 1.98 -8.5 -0.52 0
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216887 85086929 1 O3C20H24 A3B20C24 -94.64 4.82 -9.58 -0.45 0
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216888 85086930 1 N2O2C19H24 A2B2C19D24 -8.3 1.37 -8.82 -1.0 0
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216889 85086931 1 O2C21H28 A2B21C28 -111.63 1.0 -8.74 0.27 0
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216890 85086932 1 SiO3C17H32 AB3C17D32 -224.55 4.12 -9.31 0.62 0
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216891 85086933 1 SiO3C17H32 AB3C17D32 -229.79 2.16 -8.79 0.7 0
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216892 85086934 2 OC10H20 AB10C20 -166.46 2.33 -9.99 0.9 0
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216893 85086936 1 ClO3H13C18 AB3C13D18 -60.3 6.3 -9.44 -1.31 0
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216894 85086937 1 ClO3C17H25 AB3C17D25 -161.48 5.55 -9.14 -0.32 0
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216895 85086938 1 OSnC13H22 ABC13D22 -25.81 4.78 -9.5 -0.13 1
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216896 85086940 1 O2N4C11H15 A2B4C11D15 -12.85 4.17 0.0 0.0 0
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216897 85086941 1 Cl2O3H14C15 A2B3C14D15 -124.46 6.35 -9.43 -0.22 0
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216898 85086942 1 O3N5C15H15 A3B5C15D15 1.87 10.97 -8.99 -1.43 0
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216899 85086943 1 ON2H16C21 AB2C16D21 67.62 2.84 -9.31 -0.94 0
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216900 85086945 1 NSO4C15H23 ABC4D15E23 -184.75 4.66 -8.96 -0.06 0
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216901 85086947 1 O6H14C17 A6B14C17 -206.86 3.17 -9.85 -2.23 0
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216902 85086948 1 N2O5H14C16 A2B5C14D16 -134.12 3.45 -9.88 -2.21 0
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216903 85086949 1 O7C15H22 A7B15C22 -322.41 4.35 -10.1 -0.19 0
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216904 85086950 2 NO3C7H11 AB3C7D11 -256.47 1.28 -10.31 0.63 0
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216905 85086951 2 NOH7C10 ABC7D10 44.61 10.02 -8.37 -1.75 0
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216906 85086952 2 OSC4N4H5 ABC4D4E5 137.31 3.68 -8.99 -1.6 1
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216907 85086953 1 SN2O5C13H17 AB2C5D13E17 -185.36 6.81 0.0 0.0 0
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216908 85086955 2 O3C8H13 A3B8C13 -291.39 2.53 -10.57 0.29 0
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216909 85086957 1 ON2H18C21 AB2C18D21 26.67 4.04 -8.62 -0.46 0
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216910 85086958 1 ON6C16H22 AB6C16D22 39.29 5.35 -8.8 -0.37 0
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216911 85086959 1 N2O2C19H26 A2B2C19D26 -54.69 2.92 -9.23 0.35 0
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216912 85086960 1 N2S2O3C13H18 A2B2C3D13E18 -90.15 6.29 -9.13 -0.42 0
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216913 85086965 1 ClOSN2H13C16 ABCD2E13F16 28.7 6.35 -8.99 -1.69 0
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216914 85086966 1 ClO2N4C14H23 AB2C4D14E23 -88.6 6.73 -9.13 -0.3 0
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216915 85086967 1 INO2C10H22 ABC2D10E22 -116.69 11.44 -7.62 -0.15 0
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216916 85086971 1 NO5C17H17 AB5C17D17 -68.26 6.08 -8.32 -0.96 0
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216917 85086982 1 ClFO2N3C15H17 ABC2D3E15F17 -100.1 6.26 -9.63 -0.29 0
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216918 85086985 1 N2O4C17H20 A2B4C17D20 -141.26 4.44 -10.28 -1.85 0
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216919 85086987 1 O4C19H24 A4B19C24 -145.77 6.9 -8.8 -0.02 0
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216920 85086989 1 SO3C18H20 AB3C18D20 -76.85 8.38 -9.24 -0.3 0
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216921 85086990 1 S2O6C11H20 A2B6C11D20 -253.6 3.92 -10.43 -0.08 0
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216922 85086991 1 O3C20H28 A3B20C28 -152.76 3.6 -9.34 0.53 0