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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399808 135042842 1 O3C16H24 A3B16C24 -118.87 4.41 -9.63 0.07 -2
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399809 135042863 2 OYH4C7 ABC4D7 74.26 6.71 -5.26 -2.06 0
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399810 135042884 1 SiO5C14H26 AB5C14D26 -210.62 2.47 -9.01 0.16 2
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399811 135042886 1 NSn2F3H4C10 AB2C3D4E10 4.44 5.92 -8.07 -2.71 0
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399812 135042890 1 SO2N5C11H17 AB2C5D11E17 -11.61 5.83 -9.13 -0.23 0
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399813 135042892 1 ClO2F3H10C11 AB2C3D10E11 -241.92 4.88 -9.87 -0.65 0
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399814 135042895 1 BrOC13H21 ABC13D21 -66.67 4.66 -9.75 -0.08 2
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399815 135042897 1 OSn2F3C10H15 AB2C3D10E15 -131.46 3.68 -7.9 -2.49 0
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399816 135042915 1 NO2C14H17 AB2C14D17 -71.93 4.44 -9.41 -0.51 0
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399817 135042929 1 O4C17H24 A4B17C24 -166.92 5.69 -9.69 -0.25 0
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399818 135042934 1 F3C17H17 A3B17C17 -118.85 3.18 -8.87 -0.06 0
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399819 135042938 4 OC4H5 AB4C5 -144.5 3.73 -8.64 -0.73 0
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399820 135042946 1 BrNO2F4H4C8 ABC2D4E4F8 -254.17 4.78 -9.46 -1.32 0
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399821 135042951 1 O5C6H12 A5B6C12 -243.58 2.53 -10.59 1.19 0
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399822 135042952 2 O2C4H5 A2B4C5 -159.14 5.87 -10.03 -0.81 0
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399823 135042954 1 PSN2C13H13 ABC2D13E13 27.61 4.52 -8.34 -0.34 0
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399824 135042960 1 O2C15H22 A2B15C22 -90.38 2.06 -9.65 0.11 0
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399825 135042961 2 O4C6H9 A4B6C9 -376.47 3.14 -10.65 0.43 0
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399826 135042964 1 N3O3C13H17 A3B3C13D17 -88.33 3.07 -9.17 -1.29 0
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399827 135042965 1 N2C17H20 A2B17C20 42.95 2.54 -8.16 0.19 0
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399828 135042966 2 O2C6H7 A2B6C7 -104.98 3.95 -9.16 -0.96 0
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399829 135042967 1 OC16H20 AB16C20 -20.89 1.58 -8.97 -0.16 -1
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399830 135042972 1 O2H7C8 A2B7C8 -1.99 3.97 0.0 0.0 0
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399831 135042986 1 NO3C11H17 AB3C11D17 -143.28 3.51 -9.82 0.22 1
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399832 135043022 1 NC18H18 AB18C18 100.19 1.33 0.0 0.0 0
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399833 135043034 1 ON5C9H11 AB5C9D11 92.94 3.43 -9.84 -0.34 0
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399834 135043056 1 O3C14H17 A3B14C17 -96.19 2.61 0.0 0.0 0
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399835 135043061 1 ClNSeH8C13 ABCD8E13 64.78 2.34 -9.04 -1.2 0
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399836 135043063 1 BO3H25C38 AB3C25D38 -32.17 1.44 -8.59 -0.75 0
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399837 135043083 1 OC14H20 AB14C20 -32.52 1.51 -8.58 0.33 0
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399838 135043084 1 O2N5H11C13 A2B5C11D13 107.77 6.79 -9.14 -1.95 0
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399839 135043114 1 ON2C15H24 AB2C15D24 -46.78 2.11 -8.44 0.34 0
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399840 135043115 1 SN2O2C12H16 AB2C2D12E16 -43.16 9.02 -10.13 -0.86 0
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399841 135043116 2 OC6H9 AB6C9 -102.09 2.11 -9.91 0.7 0
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399842 135043121 1 BrN2O4C13H21 AB2C4D13E21 -222.18 4.62 -9.45 -0.39 0
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399843 135043122 1 OC15H21 AB15C21 10.74 1.84 0.0 0.0 0
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399844 135043123 1 PF3N3O3C7H13 AB3C3D3E7F13 -302.32 4.15 -10.3 -0.38 0
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399845 135043125 1 NH9C11 AB9C11 71.88 2.5 -8.31 -0.45 0
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399846 135043126 1 NO4C8H11 AB4C8D11 -169.78 3.4 -10.03 -0.06 0
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399847 135043127 1 NF3O3C13H16 AB3C3D13E16 -282.91 2.55 -9.8 -0.28 0
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399848 135043128 1 BrN2O2C13H13 AB2C2D13E13 -64.63 2.59 -8.57 -0.68 0
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399849 135043129 1 NO2C14H25 AB2C14D25 -110.11 3.55 -9.49 1.09 0
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399850 135043130 1 OC18H24 AB18C24 -31.38 2.02 -8.99 -0.18 0
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399851 135043131 1 NO3C13H17 AB3C13D17 -118.41 5.61 -9.69 -0.86 1
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399852 135043141 11 CH AB 65.57 0.56 0.0 0.0 0
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399853 135043146 1 IO3C4H9 AB3C4D9 -146.91 2.54 -10.3 -1.32 0
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399854 135043147 1 NO4C6H9 AB4C6D9 -177.24 2.82 -10.36 0.16 0
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399855 135043151 1 FC15H25 AB15C25 -62.09 3.05 -9.12 1.01 0
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399856 135043154 2 NOC6H6 ABC6D6 -11.26 3.68 -8.87 -0.73 0
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399857 135043203 1 O2C13H16 A2B13C16 -77.12 4.3 -9.93 -0.32 0