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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31851 3721091 1 O2S2N3C22H25 A2B2C3D22E25 -31.46 9.43 -8.17 -1.56 0
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31852 3721154 1 N5O5C20H27 A5B5C20D27 -85.32 4.06 -8.49 -0.95 0
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31853 3721155 1 ClFO3N5C17H19 ABC3D5E17F19 -58.33 3.48 -9.44 -1.18 0
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31854 3721159 1 ClOSN4H17C23 ABCD4E17F23 94.37 7.12 -8.68 -1.0 0
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31855 3721220 3 ON2C7H8 AB2C7D8 8.66 7.01 -8.62 -0.88 0
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31856 3721221 2 O2N3C11H12 A2B3C11D12 -25.62 3.59 -8.57 -0.93 0
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31857 3721240 1 NO3H13C14 AB3C13D14 -38.47 3.18 -9.26 -1.3 0
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31858 3721242 1 ClSO3N4C22H27 ABC3D4E22F27 -98.23 10.69 -9.42 -1.04 0
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31859 3721308 1 N4O4C27H32 A4B4C27D32 -91.44 5.6 -8.54 -0.36 0
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31860 3721333 1 O3N4C28H32 A3B4C28D32 -17.02 2.77 -8.56 -1.13 0
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31861 3721400 1 FSN5O6C28H30 ABC5D6E28F30 -228.28 7.13 -9.86 -0.81 0
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31862 3721421 1 N2O5C14H18 A2B5C14D18 -207.64 6.04 -9.84 -1.04 0
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31863 3721584 1 O3N4C20H24 A3B4C20D24 -28.0 5.73 -9.26 -0.66 0
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31864 3721618 1 FON6C24H31 ABC6D24E31 32.4 6.89 -8.77 -0.28 0
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31865 3721670 4 NC6H8 AB6C8 4.92 3.91 -8.07 -0.11 0
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31866 3721697 1 ClO2N3C20H20 AB2C3D20E20 -58.65 5.35 -8.79 -0.5 0
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31867 3721700 1 Cl2O2N3C20H23 A2B2C3D20E23 -66.57 2.26 -9.25 -0.81 0
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31868 3721701 1 BrSO4N8H17C23 ABC4D8E17F23 78.75 3.56 -9.2 -1.68 0
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31869 3721843 1 F2O2N3H17C24 A2B2C3D17E24 -62.73 9.89 -9.03 -0.94 0
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31870 3721870 1 N2C15H22 A2B15C22 21.38 3.17 -7.79 0.33 0
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31871 3721936 1 NSO3C18H29 ABC3D18E29 -147.37 6.03 -9.18 -0.13 0
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31872 3722002 1 FSO4N5H26C27 ABC4D5E26F27 -68.64 10.78 -8.4 -0.96 0
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31873 3722003 1 S2N3O4H23C26 A2B3C4D23E26 -17.28 6.36 -7.99 -1.88 0
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31874 3722004 1 SN2O3H26C33 AB2C3D26E33 69.21 6.89 -8.6 -1.05 0
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31875 3722008 1 ClSN2O4H13C21 ABC2D4E13F21 -31.85 7.25 -9.1 -1.44 1