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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293250 117378588 2 NO2C6H7 AB2C6D7 -143.17 3.09 -9.28 -0.64 0
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293251 117378658 1 ON4H10C14 AB4C10D14 84.97 2.9 -8.52 -0.71 0
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293252 117378907 2 O2C7H9 A2B7C9 -162.46 3.26 -9.64 -0.32 0
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293253 117378947 2 O2C7H9 A2B7C9 -133.17 3.01 -8.86 -0.38 0
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293254 117378995 2 O2C7H9 A2B7C9 -165.03 2.82 -8.08 -0.06 0
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293255 117378998 2 O2C7H9 A2B7C9 -144.01 5.27 -9.58 -0.47 0
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293256 117379008 2 O2C7H9 A2B7C9 -154.13 7.06 -8.95 0.06 0
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293257 117379061 2 O2C7H9 A2B7C9 -184.07 10.98 -9.78 -0.57 0
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293258 117379089 2 O2C7H9 A2B7C9 -151.43 7.46 -9.0 -0.08 0
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293259 117379122 2 O2C7H9 A2B7C9 -134.5 1.1 -8.92 -0.06 0
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293260 117379223 1 N2O3C13H18 A2B3C13D18 -125.63 9.52 -9.73 -0.13 0
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293261 117379527 1 O3C15H22 A3B15C22 -154.62 6.7 -8.82 0.11 0
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293262 117379540 1 O3C15H22 A3B15C22 -147.4 5.5 -8.83 0.26 0
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293263 117379601 2 NOC7H11 ABC7D11 -59.9 1.62 -8.0 0.23 0
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293264 117379756 1 SO2C14H18 AB2C14D18 -71.36 3.96 -8.58 -0.41 0
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293265 117380044 1 ClN2O2H11C12 AB2C2D11E12 -30.14 1.86 -9.19 -0.88 0
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293266 117380245 1 BrF2O2H5C8 AB2C2D5E8 -152.48 2.29 -9.61 -1.46 0
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293267 117380467 1 FN3O3H10C11 AB3C3D10E11 -61.61 4.98 -9.04 -0.98 0
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293268 117380500 1 OF2N3H11C12 AB2C3D11E12 -61.19 5.56 -8.72 -0.5 0
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293269 117380551 1 N3O4C11H13 A3B4C11D13 -51.83 4.66 -8.59 -1.38 0
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293270 117380642 1 FNO3C13H14 ABC3D13E14 -144.62 5.29 -9.51 -0.32 0
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293271 117380679 1 NSO4H9C11 ABC4D9E11 -61.15 2.92 -8.69 -2.22 0
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293272 117380683 1 FO2N3C12H14 AB2C3D12E14 -57.95 4.63 -8.49 -0.29 0
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293273 117380739 1 FO2N3C12H14 AB2C3D12E14 -63.5 8.84 -7.7 -0.96 0
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293274 117380758 1 FO2N3C12H14 AB2C3D12E14 -59.52 11.45 -7.91 -0.95 0