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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215872 85085370 1 NO2C10H13 AB2C10D13 -94.33 3.78 -10.44 -0.04 0
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215873 85085371 1 ON3C9H13 AB3C9D13 2.69 2.47 -8.55 -0.03 0
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215874 85085372 1 NOC11H17 ABC11D17 -62.11 2.56 -9.28 0.63 0
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215875 85085374 1 O3C10H12 A3B10C12 -81.77 2.1 -8.06 0.04 0
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215876 85085375 1 ON2C10H16 AB2C10D16 -25.81 3.44 -9.39 0.05 0
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215877 85085376 1 OC12H20 AB12C20 -63.71 1.69 -9.44 1.37 0
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215878 85085378 1 O4C9H10 A4B9C10 -123.39 6.13 -9.86 -0.65 0
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215879 85085380 1 O2C11H18 A2B11C18 -79.71 4.49 -9.49 0.46 0
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215880 85085381 1 O2C11H18 A2B11C18 -97.6 3.84 -9.63 0.32 0
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215881 85085382 1 O2C11H18 A2B11C18 -119.28 3.79 -9.94 0.61 0
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215882 85085383 1 O2C11H18 A2B11C18 -100.59 2.17 -9.99 0.86 0
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215883 85085384 1 OC12H22 AB12C22 -61.43 2.11 -9.68 0.95 0
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215884 85085385 1 NO3C9H13 AB3C9D13 -73.06 1.95 -9.68 -0.08 0
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215885 85085386 1 NOSC9H13 ABCD9E13 -25.84 3.22 -8.62 0.39 0
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215886 85085387 1 O4C9H12 A4B9C12 -144.31 1.65 -10.98 -0.53 0
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215887 85085390 1 O3C10H16 A3B10C16 -154.57 6.13 -10.22 0.06 0
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215888 85085392 1 OH12C13 AB12C13 9.35 5.18 -9.31 -0.97 0
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215889 85085395 1 SiC11H24 AB11C24 -61.23 0.11 -9.09 1.05 0
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215890 85085397 1 NO2C10H19 AB2C10D19 -118.8 3.74 -9.19 0.59 0
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215891 85085398 1 NC13H15 AB13C15 52.47 3.62 -9.5 0.26 0
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215892 85085399 1 O4C9H14 A4B9C14 -185.03 4.26 -10.04 -0.34 0
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215893 85085400 1 N2O3C8H14 A2B3C8D14 -140.63 2.23 -9.75 0.42 0
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215894 85085401 1 O3C10H18 A3B10C18 -153.33 2.67 -10.14 -0.08 0
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215895 85085402 1 O2C11H22 A2B11C22 -138.09 1.8 -10.41 1.04 0
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215896 85085403 1 OSC10H18 ABC10D18 -55.13 2.16 -8.73 0.49 0
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215897 85085404 1 NLi3C11H20 AB3C11D20 7.46 11.86 -6.01 2.8 0
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215898 85085405 1 NO5C7H9 AB5C7D9 -130.64 5.58 -11.06 -1.24 0
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215899 85085406 1 O2N5C6H13 A2B5C6D13 -22.72 5.68 -9.74 0.06 0
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215900 85085408 1 NO3C9H17 AB3C9D17 -137.68 1.19 -10.25 0.58 0
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215901 85085410 1 O5C8H12 A5B8C12 -228.2 7.12 -11.01 -0.26 0
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215902 85085415 1 SO3C8H12 AB3C8D12 -87.28 5.47 -9.98 0.66 0
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215903 85085417 1 OH5N5C8 AB5C5D8 110.27 3.6 -9.77 -2.74 0
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215904 85085418 2 NOC5H9 ABC5D9 -112.8 6.71 -9.38 1.41 0
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215905 85085419 1 ON4C9H10 AB4C9D10 71.38 3.74 -9.6 -1.49 0
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215906 85085420 2 OC6H7 AB6C7 -69.37 4.04 -9.55 0.06 0
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215907 85085422 2 OC6H7 AB6C7 -46.89 1.04 -8.53 -0.12 0
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215908 85085424 1 SO2C9H18 AB2C9D18 -106.94 3.06 -8.51 0.66 0
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215909 85085426 1 NO2C11H13 AB2C11D13 -18.89 2.89 -9.3 -0.18 0
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215910 85085427 1 NO2C11H13 AB2C11D13 -32.92 3.92 -9.4 -0.2 0
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215911 85085428 1 NO2C11H13 AB2C11D13 -27.23 3.04 -9.52 0.38 0
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215912 85085429 1 O3C10H20 A3B10C20 -143.65 4.2 -9.94 0.41 0
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215913 85085434 1 NO3C10H15 AB3C10D15 -127.85 7.12 -9.14 -0.06 0
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215914 85085435 1 O2N3C9H11 A2B3C9D11 14.05 4.77 -9.76 -0.66 1
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215915 85085437 1 O2N3C9H12 A2B3C9D12 -50.08 5.08 0.0 0.0 0
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215916 85085438 2 O2C5H5 A2B5C5 -64.18 3.8 -10.0 -0.93 0
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215917 85085440 1 O3C11H14 A3B11C14 -123.89 5.48 -9.81 0.15 0
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215918 85085442 2 OC6H9 AB6C9 -99.54 1.96 -9.99 0.2 0
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215919 85085443 1 ON2C11H18 AB2C11D18 -41.34 2.14 -9.35 1.08 0
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215920 85085444 1 OC13H22 AB13C22 -49.83 1.41 -8.48 1.45 0
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215921 85085446 1 FNO4C7H14 ABC4D7E14 -230.95 3.5 -9.78 1.03 0