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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159895 57288865 1 NS3C15H31 AB3C15D31 -41.68 5.43 -9.28 -1.11 0
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159896 57288866 1 ON2C14H16 AB2C14D16 20.57 4.84 -8.15 -0.36 0
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159897 57288867 1 N2S2O3C21H24 A2B2C3D21E24 -27.97 3.85 -9.17 -2.38 0
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159898 57288868 1 C45H92 A45B92 -214.11 0.12 -10.11 3.99 0
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159899 57288869 1 ClNOF3C13H13 ABCD3E13F13 -169.41 4.33 -8.17 -0.17 0
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159900 57288870 1 IN2C14H17 AB2C14D17 50.4 4.58 -9.22 -0.86 1
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159901 57288871 1 NO2H10C13 AB2C10D13 13.45 3.52 0.0 0.0 0
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159902 57288872 1 N3O3C11H15 A3B3C11D15 -41.96 4.71 -9.52 -0.68 0
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159903 57288873 1 NO4F6H7C10 AB4C6D7E10 -439.06 2.22 -9.73 -1.7 0
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159904 57288874 1 F3C5H9 A3B5C9 -166.14 1.68 -12.03 2.56 1
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159905 57288875 1 NPCl2O5C18H27 ABC2D5E18F27 -261.45 4.61 0.0 0.0 0
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159906 57288876 2 OC8H13 AB8C13 -94.27 0.7 -8.08 0.25 0
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159907 57288878 1 N2O4C27H32 A2B4C27D32 -92.42 6.49 -8.35 -0.33 0
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159908 57288879 1 SO2C8N8H10 AB2C8D8E10 28.61 5.56 -9.33 -0.64 0
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159909 57288880 1 SN2O3H18C20 AB2C3D18E20 -36.61 4.98 -8.4 -0.82 0
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159910 57288881 1 PO3C9H21 AB3C9D21 -198.73 3.63 -8.44 2.14 0
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159911 57298367 2 N2O3C10H17 A2B3C10D17 -263.84 7.04 -8.68 -0.32 0
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159912 57298368 1 ClNF3O5H17C19 ABC3D5E17F19 -266.95 4.39 -10.07 -1.71 -1
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159913 57298370 1 C2O2S2H5 A2B2C2D5 -53.92 5.46 0.0 0.0 0
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159914 57298372 1 O5C24H34 A5B24C34 -201.26 8.85 -9.69 -0.51 0
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159915 57298376 1 ClF2N3O3H22C27 AB2C3D3E22F27 -135.95 5.91 -8.6 -0.81 0
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159916 57298448 1 OSN3C13H15 ABC3D13E15 22.33 3.97 -9.3 -1.32 0
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159917 57298450 1 FN3O6H20C25 AB3C6D20E25 -128.15 3.56 -9.29 -1.5 0
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159918 57298451 1 N2O3H14C16 A2B3C14D16 -79.46 5.42 -9.58 -1.28 -1
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159919 57298452 1 NSO3C6H10 ABC3D6E10 -117.61 5.12 0.0 0.0 0