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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23819 606293 1 BrO2C12H17 AB2C12D17 -122.57 2.52 -10.4 -0.03 0
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23820 606298 1 OSiC12H20 ABC12D20 -94.02 2.25 -9.09 0.42 0
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23821 606303 1 N3H7C12 A3B7C12 172.74 2.57 -8.95 -1.97 0
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23822 606306 1 N7C12H21 A7B12C21 59.6 2.25 -8.81 -0.22 0
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23823 606335 1 O6H10C11 A6B10C11 -210.36 8.26 -9.46 -1.3 0
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23824 606338 1 ClOH15C17 ABC15D17 -10.39 3.0 -9.09 -0.94 0
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23825 606493 1 O2N5C20H27 A2B5C20D27 -10.55 4.43 -8.44 -0.44 0
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23826 606494 1 NO2C16H27 AB2C16D27 -122.16 2.1 -9.22 -0.13 0
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23827 606498 1 FSN2O4C14H15 ABC2D4E14F15 -154.15 3.96 -9.14 -0.6 0
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23828 606502 1 F3N3O4C11H14 A3B3C4D11E14 -269.07 7.31 -9.73 -0.04 0
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23829 606512 1 NF3O5C16H26 AB3C5D16E26 -426.84 3.7 -10.62 -0.3 0
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23830 606524 1 SF3O3N4H7C11 AB3C3D4E7F11 -114.7 6.26 -10.46 -1.8 0
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23831 606526 1 ON2C11H18 AB2C11D18 -50.73 3.8 -8.66 0.43 0
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23832 606527 1 O2N4C11H14 A2B4C11D14 -40.93 5.6 -10.28 -0.19 0
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23833 606540 1 N2O2F3H5C6 A2B2C3D5E6 -200.49 1.07 -10.98 -1.2 0
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23834 606541 2 NO2C8H8 AB2C8D8 -111.84 6.95 -9.55 -1.03 0
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23835 606579 1 N4H6C11 A4B6C11 135.66 10.63 -9.47 -2.01 0
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23836 606583 1 SN4C8H10 AB4C8D10 73.99 3.49 -8.88 -0.75 0
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23837 606600 2 OC6H9 AB6C9 -76.89 2.29 -8.14 0.29 0
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23838 606609 2 ON3C4H6 AB3C4D6 38.85 6.28 -9.56 -0.54 0
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23839 606610 1 ClO2H7C10 AB2C7D10 -50.36 4.19 -10.17 -1.45 0
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23840 606623 1 O3H20C29 A3B20C29 16.51 2.08 -9.6 -0.99 0
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23841 606628 1 SO2N5C14H15 AB2C5D14E15 22.74 5.67 -8.38 -0.72 0
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23842 606629 1 SO2N5C15H17 AB2C5D15E17 14.36 6.03 -8.15 -0.78 0
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23843 606648 2 O2C5H5 A2B5C5 -109.56 0.32 -8.95 -1.4 0
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23844 606653 1 OC15H16 AB15C16 -24.75 2.7 -8.54 -0.22 0
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23846 606670 1 N2H10C13 A2B10C13 82.41 3.92 -8.44 -0.52 0
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23847 606678 1 SN4C8H10 AB4C8D10 43.91 4.31 -8.18 -0.14 0
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23848 606686 1 NH13C14 AB13C14 81.49 1.44 -8.79 -0.69 0
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23849 606695 1 Cl2N2O2H4C5 A2B2C2D4E5 -54.01 3.8 -9.73 -0.71 0
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23850 606719 1 O4C15H22 A4B15C22 -189.95 5.88 -10.27 -0.54 0
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23851 606747 1 SN2O3C18H22 AB2C3D18E22 -71.35 3.29 -8.68 -0.48 0
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23852 606792 1 N4O5C14H16 A4B5C14D16 -119.28 4.21 -8.9 -0.55 0
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23853 606795 1 ClON2S2H7C12 ABC2D2E7F12 38.87 5.26 -9.08 -1.46 0
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23854 606818 1 N3O5H13C15 A3B5C13D15 -4.89 5.9 -10.08 -2.28 0
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23855 606833 1 N2O5C15H16 A2B5C15D16 -98.12 3.14 -8.53 -0.73 0
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23856 606836 1 ClN2F3O3H10C15 AB2C3D3E10F15 -174.13 6.82 -9.77 -1.63 0
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23857 606847 1 NO2C11H17 AB2C11D17 -117.92 3.0 -9.93 1.09 0
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23858 606880 1 NO3C10H13 AB3C10D13 -113.34 2.05 -8.62 0.08 0
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23859 606881 1 F3O4C11H11 A3B4C11D11 -291.29 8.0 -9.63 -0.62 0
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23860 606882 1 PSO4C12H19 ABC4D12E19 -198.09 7.65 -9.88 -0.09 0
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23861 606883 3 NH3C4 AB3C4 81.98 5.68 -8.74 -0.91 0
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23862 606884 1 N2O3H12C15 A2B3C12D15 -13.99 5.31 -9.35 -1.15 0
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23863 606885 1 OSF3N5H8C15 ABC3D5E8F15 -42.23 4.81 -9.28 -2.01 0
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23864 606886 1 NO8C20H29 AB8C20D29 -321.87 4.6 -8.68 -0.72 0
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23866 606888 2 H2F3C4 A2B3C4 -300.29 0.15 -10.87 -1.39 -6
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23867 606890 1 NOH23C24 ABC23D24 75.1 2.82 -8.84 -0.76 0
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23868 606893 1 O6C19H20 A6B19C20 -178.14 3.42 -8.55 -0.3 0
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23869 606959 1 NSO3Cl5H6C12 ABC3D5E6F12 -103.28 4.29 -9.63 -1.28 0
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23870 606960 1 NOC12H21 ABC12D21 -48.3 1.66 -8.64 1.75 0