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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298743 117655345 1 N2O6H22C25 A2B6C22D25 -174.32 1.95 -9.64 -0.92 0
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298744 117655349 2 ClHIC3 ABCD3 49.9 1.92 -9.67 -1.62 0
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298745 117655386 1 OF3N3C17H22 AB3C3D17E22 -188.48 5.74 -8.5 -0.58 0
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298746 117655388 1 NO3C11H13 AB3C11D13 41.43 5.59 -8.48 -0.44 1
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298747 117655397 1 NPO6C39H77 ABC6D39E77 -431.15 4.9 0.0 0.0 1
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298748 117655398 1 NPO6C39H77 ABC6D39E77 -436.09 4.65 0.0 0.0 0
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298749 117655402 1 ClON2C8H9 ABC2D8E9 -29.79 4.92 -8.72 -0.28 0
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298750 117655407 1 BrNO5H12C15 ABC5D12E15 -147.87 4.67 -9.39 -0.73 0
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298751 117655411 1 FSN2O4H17C18 ABC2D4E17F18 -90.62 3.56 -8.89 -1.05 0
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298752 117655419 1 BrPO3C28H30 ABC3D28E30 -51.19 3.02 -8.48 0.1 0
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298753 117655420 1 PO3C28H29 AB3C28D29 -28.78 4.21 -8.28 0.24 0
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298754 117655421 1 ClON5C26H34 ABC5D26E34 16.02 4.93 -8.66 -0.72 0
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298755 117655786 1 ClNO2C10H10 ABC2D10E10 -68.11 4.08 -9.98 -0.7 0
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298756 117655892 1 NO4C15H27 AB4C15D27 -236.38 5.45 -9.73 0.19 0
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298757 117655896 2 NC12H17 AB12C17 20.15 1.67 -8.15 0.34 0
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298759 117655930 2 ON2C7H11 AB2C7D11 -49.83 2.23 -9.5 -0.49 0
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298760 117655956 2 NO4C8H15 AB4C8D15 -414.08 2.99 -10.05 0.52 0
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298761 117655985 1 O3F5N5C20H20 A3B5C5D20E20 -228.75 4.45 -9.29 -1.01 0
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298762 117656047 1 SN4C24H38 AB4C24D38 -1.53 3.4 -8.87 -0.27 0
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298763 117656057 2 NOC4H5 ABC4D5 -36.35 1.0 -9.92 -1.0 0
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298764 117656058 1 NO2C8H11 AB2C8D11 -77.62 4.39 -9.74 -0.48 0
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298765 117656059 1 NC9H13 AB9C13 15.3 1.04 -8.16 0.9 0
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298766 117656201 1 OCl2F4N8C29H38 AB2C4D8E29F38 -182.13 4.93 -7.64 -0.44 0
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298768 117656393 1 O3N5C40H59 A3B5C40D59 -115.67 5.64 -8.38 0.71 0
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298771 117656433 2 NOH12C15 ABC12D15 74.35 6.48 -8.05 -1.44 0