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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28873 830179 1 NO4H17C19 AB4C17D19 -114.61 5.05 -9.42 -1.47 0
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28874 830181 1 ON4C20H22 AB4C20D22 36.66 11.24 -8.56 -0.92 0
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28875 830184 1 ON4H12C13 AB4C12D13 65.22 10.19 -9.38 -1.38 0
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28876 830192 1 ClN5C16H18 AB5C16D18 70.24 3.89 -8.87 -0.42 0
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28877 830207 1 ON2C18H20 AB2C18D20 16.21 5.64 -8.64 -0.05 0
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28878 830208 1 N2O3H16C19 A2B3C16D19 -12.49 2.82 -8.33 -1.11 0
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28879 830209 1 ON2C14H20 AB2C14D20 -31.01 2.59 -8.84 -0.16 0
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28880 830210 1 ON2C14H20 AB2C14D20 -29.69 4.9 -8.95 -0.2 0
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28881 830211 1 ON2C14H20 AB2C14D20 -29.9 2.7 -8.89 -0.21 1
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28882 830247 1 SN2H19C21 AB2C19D21 96.83 1.93 0.0 0.0 0
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28883 830270 1 NO2C19H25 AB2C19D25 -86.52 2.47 -8.78 0.06 0
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28884 830271 1 ON5C19H19 AB5C19D19 64.95 5.62 -8.54 -0.55 0
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28885 830277 1 N2O2C19H22 A2B2C19D22 -34.71 1.76 -9.14 -0.68 0
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28886 830289 1 ClNO2C18H22 ABC2D18E22 -94.18 3.46 -8.89 -0.24 0
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28887 830320 1 NF3O3C17H18 AB3C3D17E18 -273.31 5.06 -9.41 -0.73 0
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28888 830334 2 NOC9H13 ABC9D13 -100.66 1.8 -8.5 0.27 0
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28889 830336 1 SN3O5C14H15 AB3C5D14E15 -119.91 8.27 -8.99 -0.82 0
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28890 830366 1 NO2C10H15 AB2C10D15 -95.06 3.75 -10.0 0.22 0
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28891 830374 1 NO2C18H23 AB2C18D23 -85.45 3.78 -8.31 0.14 0
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28892 830385 1 NCl2O2C16H17 AB2C2D16E17 -82.81 5.11 -9.04 -0.41 0
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28893 830386 1 ClNO2C16H18 ABC2D16E18 -76.21 3.72 -8.83 -0.16 0
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28894 830387 1 N2O2H16C21 A2B2C16D21 13.63 3.0 -8.62 -0.84 0
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28895 830391 1 NO3C17H21 AB3C17D21 -105.4 3.82 -8.35 0.16 0
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28896 830419 1 NO2C21H31 AB2C21D31 -103.0 3.38 -8.8 0.23 0
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28897 830450 1 ON2H16C18 AB2C16D18 22.28 4.3 -9.41 -0.91 0
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28898 830462 1 N3C19H21 A3B19C21 61.28 4.79 -8.33 0.08 0
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28899 830463 1 N3C19H21 A3B19C21 61.27 4.81 -8.33 0.08 0
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28900 830464 1 ClN3C19H22 AB3C19D22 61.39 4.61 -8.07 -0.76 0
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28901 830465 1 O2N4H14C15 A2B4C14D15 24.65 6.12 -10.96 -2.34 0
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28902 830467 1 O2N4C19H22 A2B4C19D22 67.01 5.69 -8.23 -1.35 0
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28903 830470 1 NO3C18H21 AB3C18D21 -92.58 2.86 -9.11 -0.15 0
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28904 830473 1 ClN3O3C15H20 AB3C3D15E20 -111.21 3.84 -9.13 -0.36 0
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28905 830483 1 SN5C11H11 AB5C11D11 104.79 5.98 -9.07 -0.94 0
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28906 830491 2 ON2C8H9 AB2C8D9 10.81 1.6 -9.12 -1.08 0
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28907 830495 1 SN6C13H18 AB6C13D18 100.11 4.04 -8.53 -0.27 0
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28908 830527 1 FNOC20H24 ABCD20E24 -62.28 2.56 -8.75 -0.01 0
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28909 830532 1 NO2C21H27 AB2C21D27 -56.25 3.96 -8.69 0.25 0
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28910 830536 1 ON2H14C16 AB2C14D16 14.38 3.52 -9.08 -1.05 0
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28911 830550 1 OCl2N5H7C9 AB2C5D7E9 59.88 7.21 -9.66 -1.51 0
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28912 830553 1 ClON3H12C16 ABC3D12E16 70.67 6.23 -9.14 -1.31 0
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28913 830591 1 OCl2N3H9C15 AB2C3D9E15 67.22 1.6 -9.37 -1.53 0
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28914 830605 1 OCl2N3H11C16 AB2C3D11E16 58.27 2.3 -9.19 -1.59 0
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28915 830618 1 NO4H15C19 AB4C15D19 -83.63 2.75 -9.01 -1.39 0
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28916 830621 1 ON3C11H11 AB3C11D11 40.95 7.37 -9.18 -1.17 0
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28917 830632 1 N2O3H16C21 A2B3C16D21 2.0 3.3 -8.6 -0.78 0
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28918 830640 1 ClN3O4H12C15 AB3C4D12E15 -0.31 3.93 -8.83 -1.52 0
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28919 830649 2 NO2C9H11 AB2C9D11 -125.96 9.57 -8.86 -1.16 0
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28920 830656 1 N3H19C20 A3B19C20 57.89 6.2 -7.91 -0.32 0
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28921 830665 1 ON3C13H15 AB3C13D15 4.97 1.56 -9.08 0.02 0
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28922 830681 1 N2O3H8C10 A2B3C8D10 2.04 5.63 -9.48 -1.7 0