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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
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293275 117380859 1 NO4C13H17 AB4C13D17 -125.13 4.99 -8.93 -0.29 0
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293276 117380876 1 NO4C13H17 AB4C13D17 -160.95 8.58 -9.24 -0.8 0
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293277 117381236 1 FNO2C14H18 ABC2D14E18 -96.49 2.59 -9.01 -0.23 0
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293278 117381251 1 FNO2C14H18 ABC2D14E18 -127.69 2.04 -9.09 -0.72 0
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293279 117381271 1 FNO2C14H18 ABC2D14E18 -109.85 1.89 -8.68 0.17 0
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293280 117381387 1 FNO2C14H18 ABC2D14E18 -109.7 2.24 -8.73 -0.04 0
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293281 117381392 1 FNO2C14H18 ABC2D14E18 -120.09 1.23 -8.97 -0.26 0
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293282 117381509 1 NO3C14H21 AB3C14D21 -108.76 2.83 -8.65 0.24 0
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293283 117381539 1 NO3C14H21 AB3C14D21 -121.64 4.49 -8.63 0.07 0
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293284 117381629 1 NO3C14H21 AB3C14D21 -145.31 2.42 -9.1 -0.14 0
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293285 117381739 1 NO3C14H21 AB3C14D21 -91.1 5.77 -8.7 0.26 0
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293286 117381921 1 NSO2C13H17 ABC2D13E17 -73.99 5.74 -9.1 -0.55 0
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293287 117381958 1 NSO2C13H17 ABC2D13E17 -67.89 3.77 -8.53 -0.44 0
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293288 117382178 1 NO2C15H25 AB2C15D25 -92.03 3.09 -8.27 0.3 0
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293289 117382181 1 NO2C15H25 AB2C15D25 -96.4 1.97 -8.27 0.2 0
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293290 117382232 1 NC18H21 AB18C21 34.71 2.17 -9.06 0.22 0
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293291 117382560 1 ClON3C12H14 ABC3D12E14 9.7 1.98 -8.6 -0.2 0
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293292 117382660 1 ClNO2C13H14 ABC2D13E14 -57.81 5.18 -9.12 -0.42 0
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293293 117382756 1 ClNO2C13H14 ABC2D13E14 -65.4 2.22 -9.08 -0.86 0
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293294 117382814 1 ClNOC14H18 ABCD14E18 -50.66 3.69 -8.73 -0.15 0
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293295 117383049 1 BrON3H6C9 ABC3D6E9 33.24 2.14 -8.94 -0.83 0
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293296 117383176 1 FO3N4H9C10 AB3C4D9E10 -18.14 3.88 -8.98 -1.52 0
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293297 117383249 6 OC2H2 AB2C2 -196.54 7.46 -9.21 -1.41 0
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293298 117383250 6 OC2H2 AB2C2 -199.35 5.09 -9.15 -0.86 0
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293299 117383370 1 FN2O3C12H13 AB2C3D12E13 -77.62 4.6 -8.92 -0.45 0