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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400013 135044507 1 NO2C11H15 AB2C11D15 -41.84 2.53 -9.39 -0.23 0
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400014 135044515 1 NO5C13H19 AB5C13D19 -209.24 5.37 -10.74 -0.9 0
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400015 135044521 1 SN3C11H15 AB3C11D15 39.38 2.97 -8.82 -0.42 0
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400016 135044524 1 NOPtC14H15 ABCD14E15 81.74 5.58 -8.96 -1.94 0
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400017 135044538 1 OSiC13H22 ABC13D22 -65.56 2.13 -8.56 0.25 0
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400018 135044539 1 OCl2N2H6C15 AB2C2D6E15 70.86 5.91 -10.1 -1.67 0
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400019 135044589 1 SiO2C10H18 AB2C10D18 -117.06 2.87 -10.12 0.52 0
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400020 135044591 1 BrN2S2C12H15 AB2C2D12E15 35.69 2.97 -8.69 -0.36 0
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400021 135044599 2 OC8H9 AB8C9 -63.57 3.32 -9.58 0.09 0
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400022 135044600 1 NO3C14H15 AB3C14D15 -94.21 4.37 -9.24 -0.49 0
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400023 135044601 1 BrClSN2C12H14 ABCD2E12F14 21.75 3.32 -8.83 -0.58 0
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400024 135044603 2 SC7H9 AB7C9 39.73 2.79 -8.06 0.25 0
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400025 135044604 2 NH5C6 AB5C6 95.95 1.49 -8.88 0.12 0
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400026 135044623 1 NO3C12H15 AB3C12D15 -29.43 5.37 -9.66 -0.5 0
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400027 135044631 1 OC15H20 AB15C20 -22.94 5.05 -9.01 -0.36 0
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400028 135044632 1 O2C15H22 A2B15C22 -79.66 3.98 -9.19 -0.09 0
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400029 135044641 1 NOC17H19 ABC17D19 -11.19 0.48 -8.52 -0.31 0
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400030 135044661 1 ClOC11H23 ABC11D23 -106.76 1.95 -9.69 0.89 0
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400031 135044678 1 SN3O3C12H21 AB3C3D12E21 -86.58 2.45 -9.11 -0.06 -1
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400032 135044679 1 SN2O2H13C14 AB2C2D13E14 -0.47 2.64 0.0 0.0 0
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400033 135044682 1 OSC10H10 ABC10D10 5.71 3.75 -9.13 -0.77 0
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400034 135044688 1 OSiC16H20 ABC16D20 -21.84 1.42 -8.7 0.07 0
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400035 135044696 1 SiO2C16H22 AB2C16D22 -92.17 5.34 -9.33 -0.13 1
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400036 135044699 1 O13C27H27 A13B27C27 -458.13 5.31 0.0 0.0 0
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400037 135044712 1 NOI2C9H9 ABC2D9E9 4.77 4.08 -8.96 -1.02 0
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400038 135044730 1 NSO2C9H11 ABC2D9E11 -31.07 5.19 -9.43 -1.05 0
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400040 135044749 1 N2O3C14H14 A2B3C14D14 -64.4 7.67 -8.83 -0.84 0
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400041 135044750 1 OC15H24 AB15C24 -61.51 1.68 -9.55 0.74 0
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400042 135044753 2 NOC6H7 ABC6D7 -81.1 3.26 -9.15 -0.38 0
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400043 135044763 1 FNO3H10C12 ABC3D10E12 -122.52 2.96 -9.35 -1.47 0
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400044 135044767 1 BrLiH8C11 ABC8D11 45.7 5.69 -8.01 0.23 0
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400045 135044775 2 OC4H6 AB4C6 -88.2 5.01 -10.14 0.64 0
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400046 135044814 1 NOSC12H17 ABCD12E17 6.94 5.2 -9.07 -0.23 0
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400047 135044828 1 SiN3C7H17 AB3C7D17 19.26 4.06 -9.38 0.37 0
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400048 135044837 1 N2C15H16 A2B15C16 38.6 0.79 -8.5 -0.42 -1
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400049 135044838 11 CH AB 44.92 1.47 0.0 0.0 0
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400050 135044842 1 NC8H11 AB8C11 22.6 3.97 -9.55 0.96 0
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400051 135044856 1 SO2C17H18 AB2C17D18 -47.11 1.2 -8.9 -0.15 0
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400052 135044860 1 OC19H28 AB19C28 -56.13 0.93 -9.07 0.42 0
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400053 135044863 1 SO3H14C15 AB3C14D15 -76.64 1.82 -9.26 -0.71 0
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400054 135044866 1 ClNO3H10C12 ABC3D10E12 -86.06 2.85 -9.32 -1.48 0
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400055 135044873 2 O2C7H8 A2B7C8 -137.58 0.94 -9.25 -0.31 0
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400056 135044877 1 N2C17H18 A2B17C18 56.8 4.24 -8.8 -0.03 0
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400057 135044891 1 OSN2H12C13 ABC2D12E13 68.51 6.16 -9.19 -0.85 1
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400058 135044896 1 OSC6H13 ABC6D13 -77.87 1.26 0.0 0.0 0
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400059 135044905 1 OC13H22 AB13C22 -87.05 3.95 -9.82 0.82 0
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400060 135044906 1 NSH3O3F4C8 ABC3D3E4F8 -251.84 2.25 -10.3 -2.07 0
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400061 135044922 1 BrNSO2H12C13 ABCD2E12F13 -42.34 4.69 -9.6 -1.56 0
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400062 135044945 1 OC13H16 AB13C16 -26.88 2.08 -9.49 0.28 0
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400063 135044950 1 SN2O2C12H18 AB2C2D12E18 -58.11 3.88 -9.15 -0.08 0