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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5792 13795 1 SN2O6C19H22 AB2C6D19E22 -227.59 5.55 -9.49 -0.34 0
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5793 13797 1 N2O8C21H28 A2B8C21D28 -299.44 20.77 -9.94 -1.29 0
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5794 13799 2 NO4C11H14 AB4C11D14 -303.9 15.25 -9.92 -1.24 0
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5795 13804 1 P2N4O11C14H26 A2B4C11D14E26 -596.64 13.57 -9.32 -0.45 0
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5796 13805 1 P2N4O11C14H27 A2B4C11D14E27 -566.59 4.74 0.0 0.0 1
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5797 13806 1 ClN2O3C28H31 AB2C3D28E31 -92.99 9.6 -8.14 -1.28 0
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5798 13814 1 N3O3H25C33 A3B3C25D33 40.75 4.77 -9.38 -0.48 0
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5799 13817 2 SN3O3H14C17 AB3C3D14E17 -52.38 2.93 -8.78 -1.28 0
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5800 13838 1 NSi2C6H19 AB2C6D19 -103.89 0.46 -9.16 1.59 0
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5801 13841 1 NS2C6O6H15 AB2C6D6E15 -263.34 5.29 -9.14 0.02 0
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5802 13845 2 C6H13 A6B13 -62.67 0.07 -10.29 4.14 0
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5803 13847 1 O3C7H16 A3B7C16 -136.1 1.97 -9.83 1.49 0
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5804 13849 1 O2C15H30 A2B15C30 -165.32 2.15 -10.88 0.55 0
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5805 13850 1 OC16H30 AB16C30 -78.88 2.32 -9.1 0.67 0
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5806 13851 1 BrSH3C4 ABC3D4 38.68 1.18 -9.34 -0.49 0
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5807 13852 1 OSC4H6 ABC4D6 -47.96 4.41 -9.38 -0.05 0
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5808 13853 1 OC5H10 AB5C10 -29.13 2.56 -10.15 2.07 0
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5809 13854 1 NOC5H5 ABC5D5 -1.36 4.72 -9.46 -0.38 0
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5810 13855 1 OC6H12 AB6C12 -68.33 2.03 -9.48 2.48 0
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5811 13856 2 C4H7 A4B7 -17.83 0.54 -9.08 1.6 0
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5812 13857 1 NOC6H7 ABC6D7 14.88 4.97 -8.92 -0.6 0
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5813 13860 1 OC8H14 AB8C14 -56.35 1.93 -9.68 1.39 0
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5814 13861 1 OC8H16 AB8C16 -74.24 2.07 -9.52 2.44 0
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5815 13862 1 O2C7H8 A2B7C8 -69.12 6.0 -9.93 -0.09 0
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5816 13863 1 C4N5H7 A4B5C7 29.14 1.76 -8.96 0.42 0
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5817 13864 1 INaO2H4C7 ABC2D4E7 -83.59 7.91 -9.11 -0.56 0
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5818 13865 1 ClOSC8H11 ABCD8E11 -33.71 7.94 -8.39 -0.55 0
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5819 13866 1 OSC8H11 ABC8D11 -26.96 1.2 0.0 0.0 1
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5820 13867 1 NBr2C8H11 AB2C8D11 -5.98 5.23 -9.27 -0.63 0
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5821 13869 1 PO4C6H11 AB4C6D11 -244.03 8.9 -11.11 0.64 0
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5822 13870 1 Cl4H4C7 A4B4C7 -16.18 1.02 -9.55 -0.99 0
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5823 13871 1 Cl4H4C7 A4B4C7 -13.96 2.76 -9.54 -0.91 0
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5824 13872 1 NOC9H9 ABC9D9 1.76 3.07 -8.11 -0.05 0
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5825 13873 1 ClNSH6C8 ABCD6E8 29.21 2.75 -9.16 -0.9 0
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5826 13875 1 ClS2N3C6H12 AB2C3D6E12 17.31 3.36 -8.82 -1.6 0
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5827 13876 1 S2N3C6H12 A2B3C6D12 11.55 4.62 0.0 0.0 1
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5828 13877 1 C11H16 A11B16 -7.73 0.74 -9.17 0.5 0
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5829 13878 1 ClC5N5H8 AB5C5D8 35.42 4.7 -9.56 -0.28 0
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5830 13879 1 OC10H12 AB10C12 -29.82 2.96 -9.46 0.15 0
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5831 13880 1 ON2C8H10 AB2C8D10 -20.29 3.67 -8.78 0.21 0
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5832 13881 1 NO2C8H9 AB2C8D9 -62.21 1.78 -10.03 -0.32 0
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5833 13883 2 NOH3C4 ABC3D4 -2.8 5.8 -9.46 -1.01 0
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5834 13885 2 C6H11 A6B11 -52.53 0.01 -10.2 3.95 0
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5835 13886 1 NH9C11 AB9C11 57.08 2.46 -9.38 -0.45 0
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5836 13888 2 OC5H5 AB5C5 -58.69 0.06 -10.24 -1.2 0
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5837 13889 3 NC3H5 AB3C5 12.43 0.4 -10.26 -0.39 0
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5838 13890 1 O2C11H14 A2B11C14 -84.08 5.05 -9.9 -0.15 0
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5839 13891 1 ClO2H5C10 AB2C5D10 -27.05 2.76 -10.56 -2.06 0
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5840 13892 1 OC12H18 AB12C18 -63.05 3.56 -9.49 0.42 0
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5841 13893 1 NO2C10H13 AB2C10D13 -72.03 5.06 -9.78 -0.13 0