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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51998 12014769 2 NO2C8H11 AB2C8D11 -128.32 2.92 -8.53 -0.67 0
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51999 12014770 1 N2O5C17H22 A2B5C17D22 -154.4 4.1 -8.84 -0.82 0
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52000 12014771 1 N2F3O5C18H21 A2B3C5D18E21 -308.73 4.73 -9.18 -1.23 0
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52001 12014772 2 N2O2C10H11 A2B2C10D11 -47.57 8.85 -8.88 -1.42 0
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52002 12014773 1 N3O6C22H27 A3B6C22D27 -176.93 4.38 -8.79 -1.14 0
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52003 12014774 1 N2F3O5C18H21 A2B3C5D18E21 -325.23 6.74 -9.16 -0.96 0
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52004 12014775 2 N2O2C10H11 A2B2C10D11 -56.13 9.27 -8.86 -1.36 0
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52005 12014776 1 N2O6C19H28 A2B6C19D28 -232.15 2.84 -9.01 -0.6 0
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52006 12014778 1 NOSH11C13 ABCD11E13 49.3 4.25 -9.0 -1.13 0
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52007 12014779 1 NOSH13C14 ABCD13E14 42.32 3.99 -8.98 -1.1 0
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52008 12014780 1 NSO2H13C14 ABC2D13E14 0.82 3.39 -9.03 -1.18 0
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52009 12014781 1 NSO2C15H15 ABC2D15E15 -6.03 3.62 -9.02 -1.15 0
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52010 12014782 1 NOSH13C14 ABCD13E14 37.97 4.34 -8.92 -1.01 0
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52011 12014783 1 NOSC15H15 ABCD15E15 30.52 3.82 -8.88 -0.95 0
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52012 12014784 1 NOSH11C13 ABCD11E13 53.0 3.35 -8.74 -1.16 0
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52013 12014785 1 NOSH13C14 ABCD13E14 45.29 3.32 -8.7 -1.15 0
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52014 12014786 1 NSO2H13C14 ABC2D13E14 -40.29 4.47 -8.81 -1.21 0
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52015 12014787 1 NSO2C15H15 ABC2D15E15 -47.09 4.77 -8.73 -1.19 0
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52016 12014788 1 NOSH13C14 ABCD13E14 -2.35 2.36 -8.65 -1.03 0
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52017 12014789 1 NOSC15H15 ABCD15E15 -9.31 2.34 -8.65 -1.01 0
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52018 12014790 1 NOSC11H11 ABCD11E11 -12.94 4.99 -9.01 -1.0 0
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52019 12014791 1 SN2F3O3H11C12 AB2C3D3E11F12 -217.09 5.39 -9.09 -1.19 0
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52020 12014792 1 SN2F3O3C12H27 AB2C3D3E12F27 -307.75 14.89 -7.98 -0.31 1
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52021 12014793 1 N2C11H27 A2B11C27 4.09 1.62 0.0 0.0 0
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52022 12014794 1 SN2F3O3C8H19 AB2C3D3E8F19 -284.6 12.17 -9.22 -0.32 1
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52023 12014795 1 N2C7H19 A2B7C19 23.45 1.28 0.0 0.0 0
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52024 12014796 1 SN2F3O3C6H15 AB2C3D3E6F15 -260.05 16.1 -10.12 -0.67 1
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52025 12014797 1 N2C5H15 A2B5C15 34.33 2.36 0.0 0.0 0
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52026 12014798 2 NSF3O3C5H9 ABC3D3E5F9 -550.38 11.62 -10.92 -1.49 0
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52027 12014800 2 NSF3O3C7H15 ABC3D3E7F15 -599.28 18.68 -10.03 -0.72 2
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52028 12014801 2 NC6H15 AB6C15 103.03 0.01 -2.12 -0.44 0
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52031 12014805 1 ClSiC15H27 ABC15D27 -87.63 1.49 -8.49 0.23 0
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52032 12014806 1 NPO2C11H16 ABC2D11E16 -129.53 3.71 -8.44 0.41 0
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52033 12014807 1 NPO3C11H18 ABC3D11E18 -179.52 2.94 -8.0 0.61 0
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52034 12014808 1 NPO2C12H18 ABC2D12E18 -134.14 3.98 -8.5 0.43 0
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52035 12014809 1 NP2O5C9H21 AB2C5D9E21 -368.41 1.88 -9.94 0.58 0
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52036 12014810 1 NSP2O4C9H21 ABC2D4E9F21 -334.98 5.4 -8.98 0.3 0
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52037 12014811 1 O2C9H10 A2B9C10 10.92 2.01 -10.78 0.55 0
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52038 12014812 1 O4H16C17 A4B16C17 -41.29 0.94 -9.87 -0.32 0
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52039 12014813 1 NC14H15 AB14C15 130.64 0.35 -9.21 0.36 0
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52040 12014814 1 SiSnO4C26H48 ABC4D26E48 -224.06 1.3 -9.05 0.18 0
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52041 12014815 1 SiSnO2C24H46 ABC2D24E46 -146.42 1.6 -8.96 0.42 0
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52044 12014818 1 NSiSnC29H51 ABCD29E51 -27.49 1.01 -8.53 0.36 0
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52045 12014821 1 O3C14H20 A3B14C20 -133.17 1.43 -8.74 0.22 0
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52046 12014822 1 O3H12C14 A3B12C14 -84.28 2.11 -9.17 -0.75 0
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52047 12014823 2 NOH6C7 ABC6D7 44.01 2.98 -9.49 -1.27 0
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52048 12014824 2 NOH6C7 ABC6D7 45.68 3.66 -9.35 -1.42 0
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52049 12014825 2 NOC5H10 ABC5D10 -105.0 5.5 -8.69 0.92 0
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52050 12014826 1 O2N6H8C9 A2B6C8D9 30.98 5.11 -9.96 -1.04 0
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52051 12014827 1 ClO2N6H7C9 AB2C6D7E9 22.5 5.8 -10.0 -1.21 0