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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174788 75814241 2 O3C10H10 A3B10C10 -183.59 7.12 -8.88 -0.6 0
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174789 75814409 1 ClN2O3H19C22 AB2C3D19E22 -71.96 3.46 -8.8 -1.37 1
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174790 75814422 1 ON4C18H25 AB4C18D25 29.65 2.09 0.0 0.0 0
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174791 75814423 1 ON4C18H24 AB4C18D24 16.67 2.83 -8.37 0.06 0
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174792 75814516 1 ClO2N5C13H14 AB2C5D13E14 20.21 9.37 -9.02 -0.34 0
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174793 75814930 1 N2O6C19H26 A2B6C19D26 -238.63 2.68 -8.5 -0.24 0
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174794 75815722 1 NS2O3C18H21 AB2C3D18E21 -93.71 8.77 -9.24 -0.69 -1
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174795 75816069 1 SO3N5C20H24 AB3C5D20E24 -44.87 7.07 0.0 0.0 0
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174796 75816070 1 SO3N5C20H25 AB3C5D20E25 -99.43 5.13 -9.27 -0.85 0
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174797 75816071 1 SO3N5C20H23 AB3C5D20E23 -96.62 8.66 -9.36 -0.94 0
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174798 75816874 1 N2O3C17H26 A2B3C17D26 -139.57 5.29 -8.81 0.63 0
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174799 75817021 1 N2O3C22H24 A2B3C22D24 -61.32 4.25 -8.71 0.02 0
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174800 75817265 1 ClN3O3H16C18 AB3C3D16E18 -31.72 2.24 -9.88 -2.13 0
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174801 75817268 1 N4O4H14C19 A4B4C14D19 24.09 6.0 -9.11 -2.36 0
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174802 75817269 1 O3N5C15H17 A3B5C15D17 -28.05 4.81 -9.71 -1.12 0
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174803 75817270 1 SN3O4H13C15 AB3C4D13E15 -51.48 5.1 -9.04 -2.14 0
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174804 75817292 2 N2O2C11H16 A2B2C11D16 -171.88 4.63 -8.96 -0.01 0
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174805 75817427 1 F3N3O4C17H20 A3B3C4D17E20 -296.76 7.6 -9.28 -0.68 2
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174806 75817548 1 O2N5C21H31 A2B5C21D31 18.01 16.36 -4.82 -0.68 0
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174807 75817549 1 O2N5C21H29 A2B5C21D29 -30.19 4.47 -8.44 -0.22 0
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174808 75817550 2 NO2C9H12 AB2C9D12 -123.56 4.93 -8.95 0.08 0
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174809 75817959 1 ClSN2O6H13C14 ABC2D6E13F14 -185.13 2.92 -9.32 -1.64 1
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174810 75818806 1 SO3N4C20H29 AB3C4D20E29 -66.84 2.33 0.0 0.0 0
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174811 75818807 1 SO3N4C20H28 AB3C4D20E28 -84.37 10.11 -9.3 -0.09 0
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174812 75818808 1 NOC18H23 ABC18D23 -14.43 2.24 -8.8 0.26 1