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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21999 594706 2 NO2C7H7 AB2C7D7 -51.58 2.06 -8.98 -0.42 0
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22000 594707 4 OC5H6 AB5C6 -164.6 1.72 -8.9 -0.62 0
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22001 594709 1 NO3H7C9 AB3C7D9 -77.28 4.76 -10.04 -1.35 0
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22002 594712 1 O4C15H26 A4B15C26 -206.71 3.15 -9.99 0.45 0
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22003 594740 1 S2C7H12 A2B7C12 19.77 1.38 -8.17 0.18 0
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22004 594781 4 C3H4 A3B4 22.04 1.0 -10.18 1.84 0
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22005 594839 1 NC12H17 AB12C17 5.32 2.0 -8.03 0.6 0
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22006 594893 1 NC12H17 AB12C17 7.93 1.64 -8.62 0.41 0
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22007 594895 1 NOC11H13 ABC11D13 -9.48 4.25 -8.71 0.16 0
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22008 594896 1 NOC11H13 ABC11D13 -9.54 1.44 -9.04 -0.2 0
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22009 594898 1 NO2C12H13 AB2C12D13 -55.69 6.07 -9.23 -1.34 0
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22010 594983 2 OC10H12 AB10C12 -72.33 4.7 -8.52 0.39 0
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22011 594984 1 ClNO2H14C17 ABC2D14E17 -37.34 4.92 -8.92 -0.56 0
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22012 594985 1 NO2C19H25 AB2C19D25 -54.63 3.25 -8.49 0.39 0
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22013 595003 1 O2N3C20H23 A2B3C20D23 -46.56 3.92 -8.7 -1.08 0
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22014 595015 1 NO2C18H23 AB2C18D23 -74.28 2.66 -8.59 0.33 0
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22015 595057 1 NO2C14H17 AB2C14D17 -50.32 4.6 -8.99 -0.34 0
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22016 595060 1 ON6C26H28 AB6C26D28 118.36 5.21 -8.42 -1.28 0
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22017 595090 1 NO3C18H19 AB3C18D19 -99.78 9.98 -9.42 -0.82 0
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22018 595169 1 C13H20 A13B20 -4.9 1.53 -8.76 1.39 0
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22019 595252 1 N3C9H11 A3B9C11 28.91 1.69 -8.05 0.14 0
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22020 595275 1 O2C17H26 A2B17C26 -126.2 2.45 -8.72 0.96 0
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22021 595348 1 O2C19H28 A2B19C28 -82.6 3.83 -8.86 -0.57 0
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22022 595365 1 NSO2C12H13 ABC2D12E13 -45.51 5.7 -8.74 -1.15 0
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22023 595370 3 C5H8 A5B8 -12.54 1.03 -9.41 1.57 0
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22024 595383 1 SO2N4C14H22 AB2C4D14E22 -39.93 4.13 -8.6 -0.23 0
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22025 595414 1 SN2F3O5C15H21 AB2C3D5E15F21 -379.06 7.01 -9.47 -0.52 0
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22026 595417 1 BO3C15H21 AB3C15D21 -205.85 3.8 -9.38 -0.72 0
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22027 595544 1 ClOSN2C7H9 ABCD2E7F9 -33.88 5.37 -9.28 -1.1 0
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22028 595576 1 NO4H15C16 AB4C15D16 -111.82 6.08 -8.66 -0.7 0
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22029 595702 1 Cl2O2N5C18H21 A2B2C5D18E21 -68.44 3.15 -8.76 -0.67 0
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22030 595796 1 C8H9 A8B9 45.03 1.5 0.0 0.0 -5
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22031 595827 1 NO6C22H23 AB6C22D23 -178.29 2.81 -8.36 0.03 0
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22033 595829 1 BrCNCl2O2 ABCD2E2 -11.61 2.24 -11.31 -2.21 0
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22034 595830 1 Cl2N3O3H11C15 A2B3C3D11E15 -46.96 4.8 -9.13 -1.15 0
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22035 595831 1 ON6C14H14 AB6C14D14 112.13 5.95 -8.96 -1.18 0
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22036 595832 1 SO2N5C7H9 AB2C5D7E9 3.45 9.65 -10.21 -1.32 0
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22037 595833 3 OC5H8 AB5C8 -146.2 3.55 -9.67 0.49 0
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22038 595886 1 IO2C10H11 AB2C10D11 -74.79 1.73 -10.04 -1.31 0
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22039 595887 1 ON2C12H16 AB2C12D16 57.07 1.27 -9.61 -0.23 0
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22040 595888 1 O2C15H28 A2B15C28 -150.92 2.78 -10.03 2.78 0
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22041 595889 1 PO2C17H33 AB2C17D33 -200.8 2.64 -9.65 1.61 0
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22042 595890 1 O2C13H24 A2B13C24 -135.42 4.02 -9.76 2.59 0
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22043 595891 1 BrOH9C14 ABC9D14 18.54 4.62 -9.31 -1.33 0
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22044 595892 1 NO4C12H13 AB4C12D13 -106.02 2.85 -8.62 -0.48 0
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22045 595893 1 F3N5C15H16 A3B5C15D16 -58.3 10.08 -8.84 -0.66 0
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22046 595898 1 SiO5C16H24 AB5C16D24 -258.06 4.29 -9.65 -1.06 0
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22047 595900 1 N2O3C8H8 A2B3C8D8 -32.06 4.12 -10.48 -1.67 0
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22048 595901 1 O2N3H5C7 A2B3C5D7 43.38 6.69 -9.7 -1.54 0
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22049 595902 1 O2N3H5C7 A2B3C5D7 60.49 8.0 -9.76 -1.84 0