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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413058 135086002 1 NOC15H16 ABC15D16 8.19 2.64 0.0 0.0 1
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413059 135086003 1 ClNF3H12C15 ABC3D12E15 -125.39 4.35 0.0 0.0 0
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413060 135086004 1 ClNF3H11C15 ABC3D11E15 -110.76 4.45 -9.57 -0.84 0
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413061 135086005 2 O4C7H8 A4B7C8 -292.99 4.25 -9.83 -0.68 0
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413062 135086006 1 NSO9C25H25 ABC9D25E25 -307.56 6.93 -8.77 -0.87 0
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413063 135086007 1 NBr2O2C13H15 AB2C2D13E15 -62.77 4.33 -9.86 -0.98 0
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413064 135086008 1 OC21H36 AB21C36 -68.36 1.36 -9.1 1.42 0
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413065 135086009 1 N2O5C14H14 A2B5C14D14 -110.75 3.55 -9.22 -1.22 0
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413066 135086010 1 BrSiN2C24H35 ABC2D24E35 22.44 2.93 -8.3 -0.25 0
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413067 135086011 1 IN2O2C15H17 AB2C2D15E17 -4.46 5.06 -8.87 -1.33 0
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413068 135086012 1 IN2O2C17H19 AB2C2D17E19 9.65 4.32 -8.94 -1.55 0
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413069 135086013 1 BrN2C23H23 AB2C23D23 107.52 2.24 -8.42 -0.35 0
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413070 135086014 1 N2O4H18C21 A2B4C18D21 -51.56 7.56 -8.72 -0.95 0
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413071 135086015 1 BrN2F3H8C12 AB2C3D8E12 -104.54 3.92 -9.13 -1.2 0
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413072 135086016 1 NO3H17C20 AB3C17D20 -48.73 2.56 -8.77 -0.96 0
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413073 135086017 1 BrN2C18H21 AB2C18D21 80.32 2.73 -8.36 -0.32 0
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413074 135086018 1 N2F3C18H21 A2B3C18D21 -133.04 3.03 -8.23 0.24 0
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413075 135086019 1 N4H16C23 A4B16C23 139.58 2.48 -8.82 -0.87 0
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413076 135086020 1 FNSO2H12C15 ABCD2E12F15 -24.51 5.82 -8.6 -0.36 0
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413077 135086021 1 ClNSO2H12C15 ABCD2E12F15 13.13 6.39 -8.58 -0.44 0
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413078 135086022 1 N3O5C19H19 A3B5C19D19 -59.79 5.4 -8.05 -1.49 1
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413079 135086023 1 N4H13C14 A4B13C14 145.82 2.15 0.0 0.0 1
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413080 135086024 1 N4H15C18 A4B15C18 155.65 3.29 0.0 0.0 1
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413081 135086025 1 N4C14H15 A4B14C15 109.0 2.38 0.0 0.0 0
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413082 135086026 1 BrNOSH8C13 ABCDE8F13 42.81 2.04 -8.89 -1.2 0
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413083 135086027 1 NSO2H15C16 ABC2D15E16 13.78 4.29 -8.48 -0.24 0
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413084 135086028 1 BrOC14H17 ABC14D17 -5.32 3.84 -9.68 -0.27 0
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413085 135086029 1 ClFOS2H14C19 ABCD2E14F19 -9.73 4.79 -8.84 -0.99 0
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413086 135086030 1 NO3C10H17 AB3C10D17 -128.62 1.85 -9.12 0.74 0
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413087 135086031 1 O3C12H20 A3B12C20 -144.44 1.83 -9.73 0.3 0
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413088 135086032 1 O3C14H16 A3B14C16 -94.53 3.68 -9.84 -0.69 0
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413089 135086033 1 BO2C13H27 AB2C13D27 -184.58 1.84 -9.59 1.09 0
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413090 135086034 1 O3C10H10 A3B10C10 -47.65 3.75 -9.82 -0.24 0
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413091 135086035 1 SN2O3C7H10 AB2C3D7E10 -80.94 3.87 -8.97 -0.06 0
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413092 135086036 1 NOC13H15 ABC13D15 1.49 4.71 -9.18 -0.91 0
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413093 135086037 1 INOC12H20 ABCD12E20 -48.22 3.5 -9.18 -0.99 0
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413094 135086038 1 BrNSO2C12H18 ABCD2E12F18 -10.52 5.3 -9.82 -1.83 0
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413095 135086039 1 SN4O4H16C20 AB4C4D16E20 90.43 9.61 -9.43 -1.75 0
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413097 135086041 1 SN2O4C15H20 AB2C4D15E20 -99.1 4.7 -8.98 -0.4 0
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413098 135086042 1 SN2O4C15H20 AB2C4D15E20 -96.81 4.55 -8.72 -0.32 0
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413099 135086043 1 N4O6C25H30 A4B6C25D30 -160.76 3.8 -8.68 -0.48 0
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413100 135086044 1 BrN4O4C22H25 AB4C4D22E25 -63.99 4.01 -8.8 -0.33 0
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413101 135086045 1 O3N4H6C9 A3B4C6D9 81.25 4.95 -10.23 -1.98 0
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413102 135086046 2 NO2H7C8 AB2C7D8 -53.9 4.62 -9.64 -0.86 0
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413103 135086047 1 NO4H15C17 AB4C15D17 -65.99 4.79 -9.3 -1.02 0
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413104 135086048 1 NOSC13H17 ABCD13E17 23.73 3.61 -8.39 0.06 0
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413105 135086049 1 NSSiO2C24H33 ABCD2E24F33 -41.83 4.31 -8.45 0.16 0
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413106 135086050 1 NSO4C21H31 ABC4D21E31 -163.85 5.85 -10.05 -0.62 0
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413107 135086051 1 ClNC13H16 ABC13D16 40.14 3.98 -8.34 -0.19 0
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413108 135086052 1 SO2N4H26C27 AB2C4D26E27 114.82 6.49 -8.54 -0.54 0