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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148852 53788521 1 S2C3H8O8 A2B3C8D8 -349.42 2.45 -11.83 -1.43 0
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148853 53788522 1 O3C17H24 A3B17C24 -131.59 1.37 -9.08 -0.34 0
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148854 53788523 1 OH10C11 AB10C11 34.01 5.15 -9.31 -0.77 0
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148855 53788524 4 NOC3H4 ABC3D4 -2.69 6.2 -9.26 -1.08 0
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148856 53788525 1 NO6C45H65 AB6C45D65 -236.56 5.47 -9.4 -0.03 0
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148857 53788526 1 FN2O4C26H33 AB2C4D26E33 -179.04 5.08 -8.96 -0.76 0
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148858 53788527 1 ON5C22H29 AB5C22D29 57.21 3.97 -8.91 -0.96 0
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148859 53788528 1 ClNSO5C8H10 ABCD5E8F10 -188.77 1.41 -10.62 -0.59 1
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148860 53788529 1 FON5H13C16 ABC5D13E16 40.28 5.84 0.0 0.0 0
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148861 53788530 1 SN4O5C22H22 AB4C5D22E22 -75.33 8.32 -9.13 -1.69 0
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148862 53788531 1 NO2C10H19 AB2C10D19 -118.07 1.2 -8.94 0.92 0
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148863 53788533 1 ClOSH7C8 ABCD7E8 8.48 0.97 -9.1 -1.46 0
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148864 53788534 1 OC9H16 AB9C16 -44.67 1.72 -9.67 0.94 0
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148865 53788535 1 O6C25H38 A6B25C38 -263.62 3.9 -9.19 0.61 0
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148866 53788536 1 N3O4C21H27 A3B4C21D27 -158.13 3.75 -8.9 -0.74 0
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148867 53788537 1 SiF3C28H37 AB3C28D37 -171.23 4.61 -9.39 -0.37 0
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148868 53788538 1 NOSC28H29 ABCD28E29 28.36 1.99 -8.46 -0.43 0
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148869 53788539 1 BrN2O4C19H25 AB2C4D19E25 -167.61 4.94 -8.4 -0.19 0
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148870 53788540 1 NSO2C15H15 ABC2D15E15 -32.02 4.39 -9.07 -0.48 0
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148871 53788541 1 SN3O9H19C22 AB3C9D19E22 -177.78 11.21 -8.95 -1.28 0
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148872 53788542 1 SN3O9H19C22 AB3C9D19E22 -181.07 3.39 -9.15 -1.59 0
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148873 53788543 1 SN3O9H19C22 AB3C9D19E22 -182.69 6.7 -9.24 -1.41 0
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148874 53788544 1 OCl2N2H10C11 AB2C2D10E11 -16.97 4.06 -9.49 -0.59 0
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148875 53788545 1 SN3O9C17H21 AB3C9D17E21 -361.38 9.25 -9.15 -1.28 0
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148876 53788546 2 N3O3C21H29 A3B3C21D29 -211.14 6.23 -8.59 -0.05 0