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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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33564 7887006 2 OSN2C8H10 ABC2D8E10 -54.61 2.05 -8.9 -1.22 0
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33565 7887012 1 FN4O4C17H17 AB4C4D17E17 -156.18 4.03 -9.38 -1.01 0
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33566 7887016 1 FN4O4C18H19 AB4C4D18E19 -164.5 3.53 -9.02 -0.99 0
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33567 7887017 1 O2S2N4C19H24 A2B2C4D19E24 -59.04 5.98 -8.62 -0.96 0
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33568 7887019 1 N3O6C19H21 A3B6C19D21 -175.92 5.04 -8.88 -0.79 0
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33569 7887024 2 N2O3C10H11 A2B3C10D11 -199.37 5.24 -9.32 -0.96 -1
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33570 7887027 1 N3O4H14C15 A3B4C14D15 13.44 4.18 0.0 0.0 0
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33571 7887028 1 N5O5C19H21 A5B5C19D21 -155.22 4.29 -9.89 -0.8 0
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33572 7887032 1 N3O6C19H21 A3B6C19D21 -178.84 6.26 -8.77 -0.85 0
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33573 7887039 1 OS2F3N3C18H20 AB2C3D3E18F20 -135.71 6.77 -9.05 -1.4 0
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33574 7887042 1 N5O5C20H23 A5B5C20D23 -167.39 4.22 -9.14 -1.0 0
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33575 7887044 1 ClN4O4C19H21 AB4C4D19E21 -127.6 4.2 -9.33 -0.8 0
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33576 7887045 1 ClOS2N3H18C19 ABC2D3E18F19 27.83 4.7 -8.94 -1.37 0
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33577 7887055 1 SN2O5H20C21 AB2C5D20E21 -130.43 2.78 -8.91 -1.32 0
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33578 7887061 1 ClFN2O3H16C17 ABC2D3E16F17 -141.36 4.1 -8.92 -0.64 0
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33579 7887063 3 O2H6C7 A2B6C7 -177.07 3.41 -8.78 -0.84 0
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33580 7887073 1 N3O5C23H25 A3B5C23D25 -128.99 5.17 -8.71 -0.15 0
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33581 7887074 1 OS2N5C17H21 AB2C5D17E21 30.54 7.5 -8.76 -1.49 0
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33582 7887079 1 NO4C17H21 AB4C17D21 -108.04 2.31 -8.4 0.1 0
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33583 7887080 1 O2S2N4C19H20 A2B2C4D19E20 -37.17 2.18 -8.95 -1.23 0
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33584 7887081 1 ClFNO4H17C20 ABCD4E17F20 -163.88 7.64 -9.27 -1.15 0
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33585 7887083 1 OS2N4H16C18 AB2C4D16E18 61.77 2.38 -8.75 -0.97 0
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33586 7887086 1 BrO4H15C16 AB4C15D16 -91.12 5.86 -8.81 -0.82 0
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33587 7887090 1 SN2O5C17H18 AB2C5D17E18 -108.85 5.15 -8.68 -0.61 0
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33588 7887091 1 OS2N3C20H23 AB2C3D20E23 0.64 3.49 -8.6 -0.83 0