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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183140 76983313 1 SO4N5C11H14 AB4C5D11E14 -103.7 3.08 0.0 0.0 0
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183141 76983720 2 ClNOC7H7 ABCD7E7 -67.19 2.0 -9.71 -1.02 0
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183142 76983721 1 ClN2O2C14H15 AB2C2D14E15 -58.0 2.13 -9.69 -0.43 0
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183143 76983722 1 BrN2O2C14H15 AB2C2D14E15 -46.03 2.14 -9.75 -0.47 0
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183144 76983723 1 BrFN2O2C14H14 ABC2D2E14F14 -92.19 0.78 -9.7 -1.15 0
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183145 76983724 1 O2N3C15H15 A2B3C15D15 -16.48 4.4 -9.79 -1.32 0
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183146 76983725 2 ClNOC7H7 ABCD7E7 -65.41 1.21 -9.65 -0.7 0
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183147 76983744 1 ON5C14H15 AB5C14D15 97.82 3.38 -9.27 -0.27 0
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183148 76983802 1 ON5C12H19 AB5C12D19 32.25 3.77 -9.05 -0.45 0
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183149 76983803 1 ON5C12H19 AB5C12D19 41.18 4.18 -9.0 -0.27 0
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183150 76983804 3 NOC5H5 ABC5D5 -52.68 2.9 -9.97 -1.27 0
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183151 76983805 3 NOC5H5 ABC5D5 -52.6 4.46 -9.79 -1.16 0
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183152 76983842 1 FO2N5H10C11 AB2C5D10E11 -19.87 4.1 -9.19 -0.67 0
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183153 76983846 1 O2N5C12H13 A2B5C12D13 20.58 5.86 -8.89 -0.56 0
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183154 76983847 1 ON5C7H11 AB5C7D11 58.59 3.07 -9.05 -0.45 0
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183155 76983848 1 ON5C8H13 AB5C8D13 54.7 4.06 -8.93 -0.37 0
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183156 76983849 1 N3O3H11C13 A3B3C11D13 -43.04 7.22 -9.49 -1.16 0
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183157 76983909 1 SN5C9H9 AB5C9D9 121.3 3.66 -9.03 -0.48 0
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183158 76984314 1 ClON4C14H21 ABC4D14E21 11.55 3.21 -8.24 -0.29 0
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183159 76984529 1 NO3C17H17 AB3C17D17 -39.54 1.85 -9.07 -0.46 0
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183160 76984548 2 NOC8H8 ABC8D8 8.73 1.0 -8.98 -0.42 1
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183161 76984549 1 SO2N4C13H19 AB2C4D13E19 -49.1 3.14 0.0 0.0 0
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183162 76984785 1 ClOSN3C15H16 ABCD3E15F16 66.19 2.67 -8.9 -0.39 0
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183163 76984836 1 ClON4C11H11 ABC4D11E11 55.73 1.72 -9.03 -0.85 0
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183164 76984856 1 ClN3O3C14H22 AB3C3D14E22 -73.76 3.47 -8.56 -0.25 0
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183165 76985234 1 N2O5C14H16 A2B5C14D16 -128.74 3.07 -9.15 -0.68 0
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183166 76985346 1 SO2N3C14H17 AB2C3D14E17 -11.03 4.74 -9.14 -1.2 0
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183167 76985347 1 N4O4C11H12 A4B4C11D12 -101.94 5.26 -9.45 -1.24 0
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183168 76985768 1 ON3C15H25 AB3C15D25 -24.11 3.06 -8.4 0.57 0
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183169 76985769 1 FCl2N3C12H16 AB2C3D12E16 -33.96 5.07 -9.11 -0.5 0
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183170 76985770 1 N3C13H21 A3B13C21 26.41 3.98 -8.51 0.13 0
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183171 76985885 1 N3C16H21 A3B16C21 54.09 3.38 -8.63 -0.26 0
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183172 76985936 1 ON3C13H21 AB3C13D21 -11.0 2.46 -8.4 0.39 0
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183173 76985937 1 F2N3C11H15 A2B3C11D15 -55.29 3.73 -8.99 -0.14 0
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183174 76985938 1 N3C14H23 A3B14C23 24.51 2.9 -8.56 0.61 0
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183175 76985939 1 ON3C14H23 AB3C14D23 -7.47 2.69 -8.52 0.46 0
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183176 76985940 1 N3C15H25 A3B15C25 12.83 3.23 -8.61 0.46 0
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183177 76985941 1 ClN3C12H18 AB3C12D18 21.59 4.7 -8.88 0.11 0
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183178 76986105 1 N3C12H17 A3B12C17 44.43 3.07 -8.68 0.49 0
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183179 76986232 1 N3O4C12H15 A3B4C12D15 -110.39 3.68 -9.85 -1.61 0
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183180 76986527 1 ON4C16H18 AB4C16D18 54.59 1.45 -8.86 -0.34 0
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183181 76987064 1 BrN3O4C12H12 AB3C4D12E12 -21.55 6.18 -10.4 -2.15 0
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183182 76987065 1 N3O4C12H13 A3B4C12D13 -27.1 5.85 -10.3 -2.09 0
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183183 76988367 1 O2F3N4C11H19 A2B3C4D11E19 -265.06 5.2 -9.81 -0.08 0
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183184 76988461 1 SO2N4C12H20 AB2C4D12E20 -44.99 5.12 -8.61 -0.05 0
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183185 76988946 1 SN3O4C11H23 AB3C4D11E23 -156.49 5.35 -8.62 0.16 0
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183186 76988947 1 SN3O4C11H21 AB3C4D11E21 -121.21 5.65 -8.84 0.42 0
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183187 76989688 1 NO5C11H17 AB5C11D17 -237.52 6.33 -10.38 0.14 0
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183188 76989758 1 SN2O6C10H18 AB2C6D10E18 -265.88 7.84 -10.23 -0.78 0
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183189 76989944 1 NO6C14H15 AB6C14D15 -231.52 5.38 -9.42 -0.28 0