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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8847 82451 1 SN2C18H20 AB2C18D20 47.9 3.27 -8.02 -0.51 0
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8848 82461 2 NSC5H6 ABC5D6 44.34 1.53 -8.62 -0.62 0
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8849 82490 1 SN2O2C11H12 AB2C2D11E12 -0.56 2.35 -9.2 -0.27 0
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8850 82514 2 O3C4H7 A3B4C7 -280.03 4.17 -10.39 0.08 0
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8851 82550 1 NOC6H9 ABC6D9 -49.12 3.71 -8.91 0.53 0
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8852 82581 1 NaN3O3S3H14C21 AB3C3D3E14F21 -68.68 6.33 -8.46 -1.12 0
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8853 82592 1 OC5F10 AB5C10 -516.65 0.64 -11.2 -1.39 0
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8854 82595 1 OC16H32 AB16C32 -101.16 2.2 -9.54 1.37 0
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8857 82599 1 O2C9H16 A2B9C16 -104.17 2.12 -10.61 -0.1 0
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8858 82627 1 KSO7H9C10 ABC7D9E10 -311.81 7.86 -9.98 -0.7 0
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8859 82633 1 BrO2C3H3 AB2C3D3 -64.39 4.03 -10.94 -1.06 0
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8860 82648 3 OH6C8 AB6C8 3.27 2.07 -8.84 -0.29 0
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8861 82652 1 OC6H12 AB6C12 -58.56 1.37 -9.92 1.13 0
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8862 82653 1 NO3C10H17 AB3C10D17 -163.22 5.09 -9.96 0.8 0
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8863 82656 1 NC16H19 AB16C19 43.78 1.42 -8.83 0.38 0
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8864 82670 1 NaPO4C20H26 ABC4D20E26 -268.63 7.53 -8.3 0.08 0
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8865 82677 1 N2O3H6C8 A2B3C6D8 10.74 7.0 -10.27 -1.62 0
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8866 82678 2 INSC5H13 ABCD5E13 43.98 42.21 -6.29 -2.72 0
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8867 82679 2 NSC5H13 ABC5D13 22.36 12.51 -6.96 -0.23 2
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8868 82706 1 OC15H28 AB15C28 -102.01 3.12 -9.91 0.83 0
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8869 82708 2 O3C10H10 A3B10C10 -177.09 1.82 -8.96 -1.35 0
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8870 82709 1 NNaSO5H12C17 ABCD5E12F17 -180.08 5.12 -8.42 -0.55 0
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8871 82710 2 O3C16H30 A3B16C30 -395.58 4.44 -10.62 0.7 0
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8872 82711 1 O2C11H14 A2B11C14 -76.2 3.08 -9.15 -0.57 0
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8873 82714 1 ClNC8H12 ABC8D12 -19.17 0.66 -8.73 0.08 0
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8874 82793 1 BWH2 ABC2 261.39 1.38 0.0 0.0 0
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8880 82873 1 TaSe2 AB2 164.67 5.3 0.0 0.0 0
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8883 82891 1 HOLi2 ABC2 -20.75 5.36 0.0 0.0 1
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8884 82892 1 PH2Li3 AB2C3 209.38 5.1 0.26 1.86 2
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8885 82893 1 SbH3Li3 AB3C3 107.47 0.92 0.0 0.0 3
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8886 83000 1 AsNb AB 253.59 3.14 -6.56 -0.26 0
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8887 83063 1 O3C10H10 A3B10C10 -106.78 3.69 -9.68 -0.69 0
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8888 83116 2 ClO2C4H8 AB2C4D8 -207.29 2.96 -10.28 0.56 0
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8889 83121 1 ON2C8H16 AB2C8D16 -39.52 3.9 -9.02 0.56 0
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8890 83122 1 NO3H15C16 AB3C15D16 -69.87 4.57 -8.45 -0.24 0
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8891 83141 1 O2C9H10 A2B9C10 -64.95 2.26 -9.36 -0.7 0
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8892 83169 2 NO2C8H10 AB2C8D10 -167.19 7.52 -8.79 -0.32 0
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8893 83213 1 N3O4C13H13 A3B4C13D13 -40.02 7.08 -10.06 -1.18 0
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8894 83261 2 AsC5H8 AB5C8 48.75 0.27 -8.18 0.57 0
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8895 83267 2 NOC7H13 ABC7D13 -136.13 4.04 -9.43 0.85 0
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8896 83292 1 NOC36H73 ABC36D73 -215.62 4.04 -9.57 1.32 0
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8897 83297 1 Cl3C4H7 A3B4C7 -46.51 2.59 -11.12 -0.44 0
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8898 83355 1 O3C10H12 A3B10C12 -116.01 6.06 -9.12 -0.07 0
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8899 83356 1 S2N3O3C12H15 A2B3C3D12E15 -71.35 2.59 -8.4 -1.7 0
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8900 83357 1 ON2C12H18 AB2C12D18 -12.22 1.32 -8.29 0.34 0
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8901 83414 1 OP2S4C8H20 AB2C4D8E20 -216.47 3.73 -9.12 -0.53 0
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8902 83416 1 NO3C10H11 AB3C10D11 -38.55 7.69 -9.41 -1.01 0
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8903 83417 1 NO3C10H11 AB3C10D11 -31.45 3.75 -9.74 -1.52 0
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8904 83419 2 NOSC2H2 ABCD2E2 27.11 4.02 -9.64 -1.95 0
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8905 83421 1 SN2O2C13H13F17 AB2C2D13E13F17 -913.08 5.53 -9.04 -1.02 0