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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166167 74644229 1 NO2C21H28 AB2C21D28 -9.94 2.7 0.0 0.0 0
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166168 74644230 1 NO2C21H27 AB2C21D27 -30.83 2.04 -8.1 0.03 0
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166169 74644733 2 N2O2C7H8 A2B2C7D8 -95.39 7.08 -9.42 -1.33 0
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166170 74644734 1 N4O5H22C25 A4B5C22D25 -75.6 7.18 -8.56 -1.44 0
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166171 74644833 2 ON2C6H11 AB2C6D11 -95.93 2.46 -9.44 0.65 0
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166172 74644834 1 O2N4C9H18 A2B4C9D18 -88.61 2.68 -9.74 0.63 0
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166173 74645189 1 BrNSO3C14H20 ABCD3E14F20 -103.86 6.2 -9.24 -0.85 0
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166174 74645190 1 NSO3C15H23 ABC3D15E23 -121.56 5.56 -9.02 -0.55 1
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166175 74645386 1 ClNO4C21H25 ABC4D21E25 -106.27 1.86 0.0 0.0 0
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166176 74645550 1 N2O7C22H22 A2B7C22D22 -154.19 5.88 -8.37 -0.91 -1
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166177 74645559 1 ClSN4O4H14C22 ABC4D4E14F22 -4.2 4.29 0.0 0.0 0
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166178 74645841 1 O3N4C15H18 A3B4C15D18 -74.67 5.95 -9.41 -0.07 0
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166179 74646310 1 SN4O5C20H26 AB4C5D20E26 -168.47 6.65 -8.66 -0.42 1
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166180 74646642 1 FON5C20H23 ABC5D20E23 27.32 5.77 0.0 0.0 1
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166181 74646643 1 N2O4C22H29 A2B4C22D29 -100.01 3.65 0.0 0.0 0
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166182 74646874 1 O3N4C18H22 A3B4C18D22 -25.2 3.83 -8.75 -1.44 1
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166183 74646875 1 N3O4C26H34 A3B4C26D34 -100.16 1.95 0.0 0.0 0
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166184 74647085 1 FO2N4H15C17 AB2C4D15E17 -25.74 5.85 -8.79 -1.92 0
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166185 74647622 1 O3N5C23H27 A3B5C23D27 -6.71 12.35 -8.65 -2.31 0
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166186 74648351 1 NO5C19H21 AB5C19D21 -149.07 4.37 -8.5 -0.61 0
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166187 74648440 1 SO2N4H18C24 AB2C4D18E24 71.93 7.87 -9.13 -1.94 0
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166188 74648747 1 OSN3C18H21 ABC3D18E21 26.52 4.34 -8.87 -0.43 0
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166189 74649057 1 O3N4C20H26 A3B4C20D26 -86.55 7.7 -8.86 0.09 0
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166190 74649058 1 SN4O5C21H30 AB4C5D21E30 -141.76 3.68 -8.69 -0.78 0
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166191 74649131 1 ClF2N4O4C17H19 AB2C4D4E17F19 -265.14 6.04 -9.26 -0.78 0