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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293150 117375064 1 BrOF2H7C9 ABC2D7E9 -102.38 2.69 -10.0 -0.81 0
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293151 117375108 1 BrFO2C9H10 ABC2D9E10 -128.05 3.13 -9.6 -0.63 0
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293152 117375124 1 BrFO2C9H10 ABC2D9E10 -114.98 3.93 -9.22 -0.5 0
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293153 117375133 1 BrFO2C9H10 ABC2D9E10 -125.32 2.61 -9.38 -0.49 0
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293154 117375134 1 BrFO2C9H10 ABC2D9E10 -111.87 2.55 -9.2 -0.62 0
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293155 117375207 1 NOF4C11H11 ABC4D11E11 -216.25 2.96 -9.26 -0.75 0
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293156 117375233 1 NO5H11C12 AB5C11D12 -117.87 7.33 -9.01 -1.13 0
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293157 117375234 1 NO5H11C12 AB5C11D12 -118.2 6.41 -8.71 -2.08 0
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293158 117375235 1 NO5H11C12 AB5C11D12 -112.94 4.98 -8.82 -2.04 0
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293159 117375236 1 NO5H11C12 AB5C11D12 -102.24 4.95 -8.57 -2.04 0
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293160 117375238 1 NO5H11C12 AB5C11D12 -104.79 7.16 -8.51 -1.9 0
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293161 117375239 1 NO5H11C12 AB5C11D12 -110.88 7.46 -9.04 -1.87 0
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293162 117375241 1 NO5H11C12 AB5C11D12 -103.93 4.93 -8.59 -2.01 0
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293163 117375246 1 NO5H11C12 AB5C11D12 -127.42 5.13 -9.91 -1.47 0
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293164 117375250 1 NO5H11C12 AB5C11D12 -107.97 2.82 -8.64 -1.89 0
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293165 117375292 1 N3O4C11H11 A3B4C11D11 -83.1 16.09 -8.35 -1.72 0
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293166 117375306 1 N3O4C11H11 A3B4C11D11 -56.2 3.41 -8.57 -1.58 0
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293167 117375373 1 FNO3H12C13 ABC3D12E13 -97.87 7.15 -9.84 -1.38 0
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293168 117375423 1 FNO3H12C13 ABC3D12E13 -110.65 4.06 -9.1 -0.61 0
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293169 117375513 1 FNSO4C9H12 ABCD4E9F12 -171.07 8.23 -9.88 -0.79 0
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293170 117375570 1 NO4C13H15 AB4C13D15 -128.55 2.61 -9.06 -0.82 0
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293171 117375610 1 NO4C13H15 AB4C13D15 -113.6 4.24 -8.42 -0.28 0
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293172 117375639 1 NO4C13H15 AB4C13D15 -157.11 1.25 -8.91 -0.44 0
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293173 117375692 3 NOC4H5 ABC4D5 -29.48 1.52 -9.09 -0.7 0
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293174 117375835 1 NSO3H11C12 ABC3D11E12 -38.98 4.3 -8.66 -1.38 0
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293175 117375859 1 NSO3H11C12 ABC3D11E12 -68.66 3.56 -9.01 -1.44 0
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293176 117375880 1 NSF2O2C10H13 ABC2D2E10F13 -161.13 6.54 -9.79 -1.03 0
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293177 117375882 1 NSO3H11C12 ABC3D11E12 -42.61 4.16 -8.66 -1.22 0
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293178 117375906 1 FNO2C14H16 ABC2D14E16 -100.1 2.83 -9.8 -0.39 0
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293179 117375932 1 FNO2C14H16 ABC2D14E16 -103.38 5.62 -8.99 -0.21 0
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293180 117376187 1 NO3C14H19 AB3C14D19 -80.66 4.72 -8.63 -0.64 0
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293181 117376247 1 NO3C14H19 AB3C14D19 -81.88 1.68 -8.53 -0.11 0
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293182 117376339 1 NO3C14H19 AB3C14D19 -139.53 6.51 -9.09 -0.16 0
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293183 117376369 1 NO3C14H19 AB3C14D19 -88.92 6.32 -8.67 -0.68 0
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293184 117376370 1 NO3C14H19 AB3C14D19 -106.48 2.64 -8.46 0.22 0
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293185 117376373 1 NO3C14H19 AB3C14D19 -100.04 1.79 -8.46 -0.15 0
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293186 117376386 1 NO3C14H19 AB3C14D19 -108.89 4.78 -9.14 -0.14 0
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293187 117376391 1 NO3C14H19 AB3C14D19 -137.14 2.41 -8.82 -0.09 0
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293188 117376393 1 NO3C14H19 AB3C14D19 -118.59 5.06 -9.61 -0.25 0
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293189 117376403 1 NO3C14H19 AB3C14D19 -82.58 4.44 -8.53 -0.05 0
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293190 117376418 1 NO3C14H19 AB3C14D19 -95.67 4.11 -8.67 0.3 0
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293191 117376439 1 NO3C14H19 AB3C14D19 -104.23 5.88 -8.96 -0.09 0
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293192 117376473 1 NO3C14H19 AB3C14D19 -78.71 2.34 -8.76 -0.25 0
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293193 117376535 1 NO3C14H19 AB3C14D19 -95.61 2.48 -8.69 0.08 0
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293194 117376536 1 NO3C14H19 AB3C14D19 -96.67 1.2 -8.51 0.19 0
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293195 117376568 1 NO3C14H19 AB3C14D19 -103.53 5.88 -8.86 -0.72 0
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293196 117376578 1 NO3C14H19 AB3C14D19 -99.99 2.49 -8.9 -0.69 0
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293197 117376591 1 NOH15C17 ABC15D17 28.25 3.46 -9.29 -0.43 0
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293198 117376616 1 O2N3C13H19 A2B3C13D19 -62.65 7.08 -8.87 -0.06 0
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293199 117376619 1 O2N3C13H19 A2B3C13D19 -56.32 5.56 -8.99 -0.05 0