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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22807 598774 1 NC13H16 AB13C16 71.8 1.86 0.0 0.0 1
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22808 598775 1 N3H9C10 A3B9C10 72.84 2.62 -8.62 -0.61 0
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22809 598776 1 N3H9C10 A3B9C10 73.99 4.7 -9.08 -0.68 0
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22810 598777 1 N3H9C10 A3B9C10 64.89 1.03 -9.22 -0.56 0
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22811 598778 1 BrO2H7C11 AB2C7D11 -29.64 3.71 -9.22 -1.35 0
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22812 598779 1 NOH9C11 ABC9D11 10.87 7.68 -9.13 -0.59 0
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22813 598780 1 NOH9C11 ABC9D11 19.09 6.14 -9.14 -0.52 0
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22814 598781 1 NOH9C11 ABC9D11 26.99 2.59 -9.1 -1.1 0
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22815 598782 1 NOH9C11 ABC9D11 17.91 2.68 -8.99 -0.64 0
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22816 598787 1 NC12H13 AB12C13 53.27 1.67 -9.39 -0.36 0
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22817 598789 2 NSO2C8H9 ABC2D8E9 -114.58 6.92 -9.17 -1.25 0
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22818 598790 1 SN2O2C19H20 AB2C2D19E20 -8.28 6.83 -8.82 -0.94 0
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22819 598791 1 SN2O4C18H24 AB2C4D18E24 -141.68 6.72 -9.28 -1.27 0
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22820 598794 1 N3H9C10 A3B9C10 78.26 7.6 -8.19 -0.52 0
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22821 598795 1 NC12H13 AB12C13 28.68 1.74 -8.16 0.19 0
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22822 598864 2 OH5C6 AB5C6 -47.35 4.24 -9.03 -0.97 0
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22823 598931 1 SN2O4C17H22 AB2C4D17E22 -137.16 11.33 -9.19 -1.36 0
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22824 598949 1 NO2C21H25 AB2C21D25 -47.77 2.9 -8.66 -0.52 0
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22825 598953 1 ClSO2N3H8C10 ABC2D3E8F10 41.5 3.95 -8.88 -1.77 0
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22826 598954 1 O6C13H22 A6B13C22 -273.7 2.3 -9.55 0.84 0
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22827 598957 1 OC12H12 AB12C12 -5.42 0.82 -8.61 0.23 0
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22828 598967 1 BrSN2O3C12H17 ABC2D3E12F17 -119.91 6.61 -9.63 -0.75 0
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22829 598968 2 PF2N3C8H8 AB2C3D8E8 -240.11 2.34 -8.85 -0.44 0
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22830 599038 1 ON5C11H11 AB5C11D11 98.01 3.74 -9.03 -1.09 0
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22831 599048 1 N2O3H10C11 A2B3C10D11 -61.47 7.61 -9.1 -1.86 0
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22832 599050 2 OC7H7 AB7C7 -60.06 2.14 -9.11 -0.88 0
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22833 599052 1 OPSC7H9 ABCD7E9 -79.81 4.33 -9.11 -0.35 0
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22834 599053 1 OPSC11H17 ABCD11E17 -94.76 4.63 -8.75 -0.22 0
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22835 599054 1 OC12H12 AB12C12 -6.57 3.01 -9.51 -0.75 0
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22836 599055 1 OC12H12 AB12C12 -8.18 4.65 -9.52 -0.8 0
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22837 599056 1 OC12H12 AB12C12 -22.84 0.54 -8.29 -0.22 0
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22838 599058 1 OC12H12 AB12C12 4.85 1.91 -8.6 -0.39 0
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22839 599059 1 ClON3C9H14 ABC3D9E14 -39.11 3.36 -8.98 -0.39 0
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22840 599060 1 NO3C21H33 AB3C21D33 -146.03 1.15 -8.82 0.13 0
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22841 599062 1 NO5C17H21 AB5C17D21 -180.28 4.87 -9.28 -0.26 0
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22842 599063 2 OC7H8 AB7C8 -56.11 1.54 -9.15 0.43 0
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22843 599064 1 BrO2N3H10C13 AB2C3D10E13 79.92 6.75 -8.89 -1.62 0
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22844 599065 1 ON2H8C10 AB2C8D10 51.43 3.59 -9.65 -0.8 0
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22845 599066 1 N2C11H12 A2B11C12 40.53 1.19 -9.44 -0.75 0
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22846 599081 1 SN3O3C17H25 AB3C3D17E25 -63.62 5.91 -8.29 -0.88 0
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22847 599096 1 NO2C18H25 AB2C18D25 -55.97 4.42 -8.98 -0.75 0
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22848 599106 1 BrON3C7H10 ABC3D7E10 -31.18 5.44 -9.06 0.24 0
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22849 599107 1 OCl2H10C12 AB2C10D12 3.92 3.92 -9.72 -0.6 0
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22850 599108 1 OSCl2N3H5C11 ABC2D3E5F11 37.68 9.1 -10.27 -1.54 0
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22851 599182 1 O2F3C16H21 A2B3C16D21 -262.43 3.5 -10.55 -1.25 0
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22852 599201 1 OC14H22 AB14C22 -75.24 2.15 -9.07 0.45 0
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22853 599202 1 NOC11H11 ABC11D11 4.06 1.48 -9.2 -0.55 0
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22854 599206 1 O2F3C21H31 A2B3C21D31 -284.21 1.51 -10.67 -1.14 0
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22855 599207 1 O2F3C20H29 A2B3C20D29 -275.47 2.17 -10.57 -1.16 0
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22856 599217 1 O2F3C12H13 A2B3C12D13 -241.02 3.11 -10.59 -1.3 0