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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79653 49829855 1 SF2N2O3H16C21 AB2C2D3E16F21 -95.73 9.02 -8.4 -1.38 0
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79654 49829857 2 N2O3H8C10 A2B3C8D10 -43.23 4.12 -9.6 -1.82 0
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79655 49829863 1 ClSO2N5H18C19 ABC2D5E18F19 35.43 8.73 -8.72 -1.22 0
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79656 49829868 1 OSN5C22H23 ABC5D22E23 76.38 5.21 -8.62 -0.59 1
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79657 49829876 1 N3O4C23H38 A3B4C23D38 -158.79 6.37 0.0 0.0 1
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79658 49829880 1 O4N5C21H34 A4B5C21D34 -140.59 2.94 0.0 0.0 1
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79659 49829885 1 SO3N5C19H24 AB3C5D19E24 -36.69 6.26 0.0 0.0 0
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79660 49829887 1 IN3O4C14H16 AB3C4D14E16 -121.03 6.93 -8.68 -0.71 0
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79661 49829888 1 ClN2S2O5C15H19 AB2C2D5E15F19 -161.65 3.24 -9.3 -1.34 0
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79662 49829898 1 BrN4O6C13H17 AB4C6D13E17 -256.53 8.34 -9.78 -0.96 0
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79663 49829899 1 BrNO3C21H22 ABC3D21E22 -105.8 4.4 -9.32 -0.67 0
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79664 49829903 1 SN2O2C24H36 AB2C2D24E36 -98.06 2.76 -8.14 0.58 0
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79665 49829906 1 ClNO5H20C21 ABC5D20E21 -150.99 3.63 -9.04 -0.42 0
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79666 49829908 1 FO2S2N4C19H19 AB2C2D4E19F19 -44.71 3.65 -8.82 -1.39 0
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79667 49829911 1 SN2O3C22H28 AB2C3D22E28 -90.84 7.79 -9.47 -0.08 0
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79668 49829912 1 OSF3N4H15C20 ABC3D4E15F20 -107.86 3.77 -9.29 -1.31 1
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79669 49829924 1 SN3O3C22H32 AB3C3D22E32 -71.99 7.01 0.0 0.0 0
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79670 49829925 1 SN3O3C22H31 AB3C3D22E31 -95.28 8.03 -9.31 -0.59 0
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79671 49829926 1 FN2S2O3C20H23 AB2C2D3E20F23 -133.05 5.24 -8.4 -1.34 1
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79672 49829929 1 ClO2N3C22H33 AB2C3D22E33 -88.74 2.96 0.0 0.0 0
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79673 49829931 1 SN3O5C19H19 AB3C5D19E19 -146.2 5.21 -8.42 -0.44 0
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79674 49829932 1 O4N5H19C21 A4B5C19D21 -9.11 15.16 -9.46 -1.19 -1
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79675 49829936 1 N3O3C25H28 A3B3C25D28 -47.63 9.82 0.0 0.0 0
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79676 49829939 1 Cl2O2N3C20H21 A2B2C3D20E21 1.75 4.43 -8.35 -0.67 0
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79677 49829941 1 SN2O3C24H24 AB2C3D24E24 -53.75 2.77 -8.68 -1.11 0