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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6810 70142 1 SN2O2C7H10 AB2C2D7E10 -44.13 6.52 -9.23 -0.55 0
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6811 70145 1 C13H14 A13B14 15.26 1.55 -8.45 -0.13 0
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6812 70146 1 ClOH7C11 ABC7D11 -4.57 4.44 -9.5 -1.38 0
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6813 70149 1 O3C10H12 A3B10C12 -108.9 3.06 -8.62 0.15 0
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6814 70151 1 N2C11H22 A2B11C22 -21.18 1.7 -8.36 2.68 0
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6815 70153 1 SC12H20 AB12C20 -12.73 1.08 -8.97 0.09 0
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6816 70155 1 NO2H9C11 AB2C9D11 26.45 6.54 -9.42 -1.46 0
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6817 70156 1 NO4H7C9 AB4C7D9 -50.09 1.92 -10.81 -1.97 0
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6818 70157 2 BrNC6H7 ABC6D7 52.44 0.15 -8.65 -2.02 0
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6819 70158 2 NC6H7 AB6C7 69.81 1.48 -7.8 0.58 2
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6820 70160 1 NO3C11H11 AB3C11D11 -99.03 5.03 -10.28 -1.58 0
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6821 70162 3 C5H6 A5B6 7.09 0.89 -8.5 -0.16 0
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6822 70163 1 O3H10C12 A3B10C12 -86.18 3.09 -9.01 -1.05 0
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6823 70173 1 SN3H11C12 AB3C11D12 74.32 1.25 -8.71 -0.57 0
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6824 70176 1 N4O4H8C9 A4B4C8D9 60.17 8.15 -9.65 -1.94 0
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6825 70180 2 OC11H19 AB11C19 -144.88 0.21 -8.25 0.14 0
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6826 70203 1 OC5H8 AB5C8 -24.88 2.89 -10.09 -0.42 0
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6827 70204 1 OC5H8 AB5C8 -17.11 1.75 -10.41 0.77 0
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6828 70205 1 C3O3H4 A3B3C4 -102.92 2.76 -10.49 -0.79 0
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6829 70207 1 SO7C14H26 AB7C14D26 -340.25 2.83 -11.21 -0.56 0
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6830 70208 1 NO2C5H9 AB2C5D9 -84.79 2.78 -10.48 0.18 0
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6831 70209 1 OC9H18 AB9C18 -80.46 3.13 -9.79 0.78 0
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6832 70210 1 PO3C9H21 AB3C9D21 -205.49 2.12 -9.22 1.37 0
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6833 70211 1 O3C4H6 A3B4C6 -109.48 1.25 -10.37 -1.05 0
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6834 70216 1 SO4C8H14 AB4C8D14 -196.62 3.77 -9.13 -0.11 0
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6835 70217 1 O3C5H10 A3B5C10 -146.96 2.72 -10.56 0.58 0
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6836 70220 1 OC6H12 AB6C12 -51.18 2.66 -9.06 1.48 0
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6837 70222 1 NPO3S3C9H20 ABC3D3E9F20 -222.72 2.78 -9.1 -0.58 0
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6838 70223 1 NSC2O4H7 ABC2D4E7 -166.05 1.73 -9.72 -1.03 0
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6839 70224 1 NS2O3C6H15 AB2C3D6E15 -145.03 2.51 -9.14 -1.38 0
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6840 70226 1 SN2C4H10 AB2C4D10 3.14 2.37 -9.15 -0.15 0
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6841 70230 1 HKC4O4 ABC4D4 -151.38 7.69 -10.09 -0.48 0
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6842 70238 1 NS2O3C13H29 AB2C3D13E29 -173.92 3.56 -8.99 -1.44 0
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6843 70240 1 NS2O3C15H33 AB2C3D15E33 -184.22 2.69 -8.91 -1.52 0
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6844 70241 1 NS2O3C16H35 AB2C3D16E35 -183.29 5.02 -9.3 -1.02 0
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6845 70242 1 NS2O3C17H37 AB2C3D17E37 -192.73 0.58 -8.67 -0.07 0
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6846 70244 1 NS2O3C19H41 AB2C3D19E41 -204.37 4.38 -9.32 -1.36 0
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6847 70245 1 NS2O3C20H43 AB2C3D20E43 -205.17 2.28 -9.19 -1.37 0
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6848 70246 1 O3C8H14 A3B8C14 -149.93 6.87 -10.58 -0.36 0
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6849 70247 1 OC9H20 AB9C20 -82.59 1.92 -9.7 2.28 0
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6850 70252 1 ClC5H9 AB5C9 -31.99 2.55 -10.54 1.0 0
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6851 70255 2 NC2H3 AB2C3 41.95 2.93 -9.48 0.82 0
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6852 70257 7 CH2 AB2 -10.25 0.33 -10.58 2.75 0
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6853 70258 1 O2H4C5 A2B4C5 -49.12 1.25 -10.6 -1.4 0
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6854 70260 1 NC7H11 AB7C11 6.26 3.3 -8.09 1.58 0
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6855 70262 2 NC3H5 AB3C5 9.23 4.36 -8.84 0.94 0
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6856 70263 4 C2H3 A2B3 29.63 1.05 -10.42 1.89 0
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6857 70269 1 O2N3C4H5 A2B3C4D5 -59.16 2.15 -10.32 -0.96 0
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6858 70272 1 ClNC7H8 ABC7D8 12.1 3.78 -8.39 0.08 0
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6859 70277 2 NOC3H3 ABC3D3 -44.48 7.2 -9.92 -0.96 0