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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166417 74685969 1 N3O3C20H38 A3B3C20D38 -158.84 4.45 0.0 0.0 0
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166418 74686848 1 FON2C19H19 ABC2D19E19 -33.36 5.67 -9.59 -1.08 1
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166419 74687259 1 NOC6H14 ABC6D14 -32.15 3.62 0.0 0.0 1
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166420 74687382 1 N3O4H16C20 A3B4C16D20 -16.6 6.18 0.0 0.0 1
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166421 74687383 1 O3N4H17C20 A3B4C17D20 23.75 5.96 0.0 0.0 0
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166422 74687803 1 N2O3C17H26 A2B3C17D26 -146.86 8.7 -8.43 -0.05 0
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166423 74688367 1 O3N5C9H15 A3B5C9D15 -106.96 2.76 -9.98 -0.28 0
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166424 74688550 1 FN2O4H15C16 AB2C4D15E16 -154.39 2.23 -9.44 -1.5 1
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166425 74688586 1 FO3N5C21H23 AB3C5D21E23 -79.41 8.05 0.0 0.0 1
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166426 74688709 1 SO2N6H19C23 AB2C6D19E23 211.79 5.08 0.0 0.0 0
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166427 74688710 1 SO2N6H18C23 AB2C6D18E23 187.02 5.42 -9.64 -2.07 2
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166428 74688913 1 ClO3N4C14H21 AB3C4D14E21 -18.02 13.85 -5.68 -1.25 1
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166429 74688914 1 ClOF4N5H15C19 ABC4D5E15F19 -109.6 9.2 0.0 0.0 1
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166430 74688915 1 ClF3N3O3H12C15 AB3C3D3E12F15 -193.48 4.67 0.0 0.0 -1
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166431 74688916 1 ISN2O4H12C16 ABC2D4E12F16 -53.71 5.49 0.0 0.0 1
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166432 74688917 1 BrClF3N3O3H17C20 ABC3D3E3F17G20 -193.2 4.75 0.0 0.0 0
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166433 74688918 1 N3O4C20H29 A3B4C20D29 -144.64 10.19 -9.03 -1.06 -1
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166434 74688919 1 N2O6H17C20 A2B6C17D20 -53.9 9.3 0.0 0.0 0
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166435 74688920 1 NF2O3H21C24 AB2C3D21E24 -153.67 3.85 -9.62 -0.98 0
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166436 74688921 1 N2O6C17H22 A2B6C17D22 -225.15 3.88 -8.6 -1.05 0
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166437 74688922 2 NO3C9H12 AB3C9D12 -230.03 4.55 -8.64 -1.09 0
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166438 74688923 1 ClNO6C17H22 ABC6D17E22 -223.75 5.67 -8.81 -1.27 1
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166439 74688924 1 ClON4H22C23 ABC4D22E23 82.98 5.24 0.0 0.0 1
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166440 74688925 1 OSN3H8C10 ABC3D8E10 82.95 3.01 0.0 0.0 1
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166441 74688926 1 OSN3C12H14 ABC3D12E14 12.61 2.41 0.0 0.0 1