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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5893 13967 1 O2N3C18H22 A2B3C18D22 -17.31 1.77 0.0 0.0 1
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5894 13968 1 N2O3C18H22 A2B3C18D22 -120.55 2.52 -9.54 -0.43 0
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5895 13969 1 N2O5C16H24 A2B5C16D24 -258.94 3.81 -10.72 -0.66 0
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5896 13970 1 O3C20H30 A3B20C30 -117.99 8.92 -8.52 -0.13 0
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5897 13971 1 N4O5H8C14 A4B5C8D14 58.42 0.27 -10.41 -2.53 0
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5898 13978 1 N2O3C20H26 A2B3C20D26 -130.96 0.98 -9.57 -0.48 0
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5899 13980 1 N2O3C21H28 A2B3C21D28 -136.97 2.16 -9.54 -0.48 0
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5900 13983 1 OSN3C22H27 ABC3D22E27 7.2 0.59 -7.77 -0.72 0
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5901 13984 2 O2C12H17 A2B12C17 -183.41 2.93 -10.29 0.85 0
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5903 13995 1 ClON3C21H22 ABC3D21E22 17.69 2.58 -9.04 -0.85 0
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5904 13999 1 ClO2N3C21H22 AB2C3D21E22 -18.0 3.33 -8.85 -0.95 0
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5905 14001 1 ON4C29H30 AB4C29D30 68.66 5.76 -8.85 -0.09 0
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5906 14002 1 FO6C28H39 AB6C28D39 -318.78 5.56 -9.91 -0.54 0
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5907 14003 1 P4N5C10O16H17 A4B5C10D16E17 -884.75 7.06 -9.32 -1.27 0
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5908 14009 1 ClFO2N4C26H32 ABC2D4E26F32 -75.33 4.29 -8.35 -0.92 0
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5909 14010 1 ClFN4O10C34H38 ABC4D10E34F38 -362.62 5.03 -8.69 -1.62 0
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5910 14019 1 ClPbC6H15 ABC6D15 -6.44 4.92 -9.3 -1.16 0
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5912 14026 2 BrNC8H19 ABC8D19 -53.76 28.5 -7.12 -1.13 0
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5913 14034 1 PCl3O4C9H18 AB3C4D9E18 -300.35 1.4 -10.78 0.17 0
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5914 14036 1 NPO2S2C4H14 ABC2D2E4F14 -197.42 5.67 -8.73 0.72 0
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5915 14039 1 OC2N2H6 AB2C2D6 -32.7 4.23 -10.18 0.88 0
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5916 14040 1 C9H20 A9B20 -48.59 0.02 -10.38 4.17 0
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5917 14044 1 NO2C5H9 AB2C5D9 -76.05 3.42 -10.05 0.26 0
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5918 14062 1 C9H20 A9B20 -53.13 0.06 -10.79 4.09 0
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5919 14063 1 NSiCl3C4H6 ABC3D4E6 -104.7 3.3 -11.07 -0.82 0
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5920 14065 1 ClO3C8H13 AB3C8D13 -165.36 3.46 -11.04 -0.34 0
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5921 14068 2 NC2 AB2 128.17 0.0 -12.29 -1.48 0
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5922 14069 1 C9H20 A9B20 -52.36 0.07 -10.8 4.09 0
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5923 14075 1 SC2H4O4 AB2C4D4 -159.93 5.07 -11.45 -0.99 0
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5924 14079 1 NOC6H7 ABC6D7 -16.89 4.98 -9.38 -0.16 0
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5925 14082 1 BrFH4C6 ABC4D6 -21.81 1.58 -9.93 -0.53 0
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5926 14085 1 ClH7C8 AB7C8 27.59 1.94 -9.23 -0.38 0
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5927 14099 1 N3O3C5H7 A3B3C5D7 -87.81 4.1 -10.62 -0.73 0
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5928 14100 1 N2C9H10 A2B9C10 49.76 2.97 -8.63 0.23 0
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5929 14102 1 Cl2N2O2C7H8 A2B2C2D7E8 -93.89 3.34 -8.71 -0.54 0
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5930 14104 1 OC11H16 AB11C16 -44.84 1.69 -8.51 0.54 0
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5931 14136 1 ClN2O2C13H13 AB2C2D13E13 -63.31 6.44 -9.6 -0.62 0
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5932 14144 2 OC8H9 AB8C9 -64.97 4.48 -9.1 -0.73 0
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5933 14145 1 FCl2N2O2S2C9H11 AB2C2D2E2F9G11 -97.24 5.46 -9.51 -1.52 0
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5934 14146 1 Cl2N3H5C13 A2B3C5D13 116.52 1.19 -10.37 -2.12 0
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5935 14150 1 ON2C15H18 AB2C15D18 33.95 2.51 -9.09 -0.38 0
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5936 14151 1 ON2C15H16 AB2C15D16 16.52 2.72 -9.34 -0.04 0
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5937 14154 1 N2O2C15H18 A2B2C15D18 -1.89 2.46 -8.97 -0.37 0
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5938 14156 1 ClN2O2C15H17 AB2C2D15E17 -90.08 4.61 -9.7 -0.66 0
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5939 14157 1 N2O2C15H16 A2B2C15D16 -43.78 3.23 -9.09 -0.1 0
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5940 14158 1 NaSO2H13C17 ABC2D13E17 -79.45 9.69 -8.57 -0.9 0
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5941 14159 1 SO2H14C17 AB2C14D17 -22.51 5.2 -9.17 -0.95 0
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5942 14160 2 OH5C9 AB5C9 4.72 1.43 -9.4 -1.57 0
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5943 14161 1 ClNO2H10C16 ABC2D10E16 -1.84 3.26 -8.73 -1.87 0
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5944 14165 1 N4O5C11H14 A4B5C11D14 -49.18 7.52 -9.6 -1.58 0