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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47960 10536050 1 OS2C9H12 AB2C9D12 -23.98 1.26 -8.71 -0.25 0
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47961 10536052 2 N2C5H12 A2B5C12 -0.19 2.2 -8.47 2.59 0
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47962 10536053 1 OSC11H20 ABC11D20 -68.46 0.65 -8.6 0.72 0
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47963 10536062 1 ClN2C10H17 AB2C10D17 -19.57 4.56 -9.84 -0.13 0
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47964 10536063 1 ClC12H21 AB12C21 -32.1 2.93 -9.3 0.53 0
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47965 10536070 1 NO2H11C12 AB2C11D12 12.78 3.98 -9.65 -0.58 0
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47966 10536071 1 NO2H11C12 AB2C11D12 -44.55 7.72 -9.09 -0.57 0
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47967 10536072 1 NO2H11C12 AB2C11D12 51.67 3.32 -9.36 -1.05 0
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47968 10536075 1 ON3C11H11 AB3C11D11 44.79 6.41 -9.96 -0.82 1
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47969 10536076 1 FNH12C13 ABC12D13 79.57 7.34 -7.51 -1.89 0
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47970 10536083 1 NC14H19 AB14C19 66.14 1.78 -9.68 -0.08 0
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47971 10536084 1 NC14H19 AB14C19 46.57 1.2 -8.8 0.39 0
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47972 10536087 1 ClN3O3H4C6 AB3C3D4E6 -11.08 5.57 -10.92 -2.14 0
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47973 10536092 1 N2O5C7H10 A2B5C7D10 -213.16 3.86 -10.54 -0.65 0
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47974 10536095 1 O5C9H14 A5B9C14 -225.07 0.96 -10.41 -0.37 0
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47975 10536098 1 O3H10C12 A3B10C12 -52.04 3.71 -9.66 -0.62 0
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47976 10536099 1 O3H10C12 A3B10C12 -63.65 5.12 -10.0 -0.93 0
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47977 10536102 1 N2O2H10C11 A2B2C10D11 -13.02 3.4 -9.23 -1.25 0
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47978 10536111 1 O2C13H14 A2B13C14 -23.67 1.75 -9.69 0.01 0
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47979 10536115 1 ON2C12H14 AB2C12D14 -4.98 1.29 -9.1 -0.58 0
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47980 10536122 1 O3C11H22 A3B11C22 -182.91 1.7 -10.27 0.9 0
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47981 10536124 1 OC14H18 AB14C18 -17.81 2.98 -9.95 -0.43 0
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47982 10536127 1 OC14H18 AB14C18 -48.65 3.41 -9.27 0.36 0
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47983 10536128 1 OC14H18 AB14C18 -53.25 2.01 -8.23 0.5 0
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47984 10536153 1 ON3C11H13 AB3C11D13 9.0 3.82 -7.95 0.09 0
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47985 10536162 1 ClNO4H6C7 ABC4D6E7 -110.15 3.42 -11.13 -1.12 0
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47986 10536181 1 N2O2C11H12 A2B2C11D12 -40.71 3.92 -9.12 -0.31 0
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47987 10536184 1 N2O2C11H12 A2B2C11D12 -38.52 7.52 -9.23 -0.48 0
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47988 10536193 1 O2C13H16 A2B13C16 -34.62 0.7 -9.25 -0.03 0
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47989 10536204 1 OC14H20 AB14C20 -48.98 5.51 -9.71 0.08 0
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47990 10536207 1 SO2C10H20 AB2C10D20 -78.83 2.76 -8.39 0.61 0
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47991 10536208 3 C5H8 A5B8 -19.28 1.0 -9.04 1.53 0
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47992 10536212 1 SiC13H20 AB13C20 -20.0 1.56 -8.93 0.64 0
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47993 10536215 2 ClNC4H5 ABC4D5 12.84 3.5 -9.74 -0.69 0
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47994 10536232 1 NO2C12H15 AB2C12D15 -74.16 4.43 -8.95 0.51 0
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47995 10536235 1 NH11C15 AB11C15 60.11 2.41 -8.8 -0.61 0
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47996 10536240 1 NOC13H19 ABC13D19 -42.09 1.99 -8.88 0.46 0
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47997 10536296 1 NO3C11H13 AB3C11D13 -83.31 1.06 -9.96 -0.25 0
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47999 10536303 1 SN3O3C6H13 AB3C3D6E13 -81.3 6.44 -10.01 0.02 0
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48000 10536322 1 NC14H25 AB14C25 -33.77 2.57 -8.09 1.53 0
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48001 10536330 1 NCl2H3O3C6 AB2C3D3E6 -102.1 2.13 -9.95 -1.78 0
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48002 10536347 1 O3C12H16 A3B12C16 -128.61 5.22 -8.72 0.23 0
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48003 10536361 1 OSC12H16 ABC12D16 -42.24 1.32 -9.1 -0.27 0
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48004 10536362 1 OSC12H16 ABC12D16 -28.48 2.65 -8.99 -0.18 0
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48005 10536367 1 C15H28 A15B28 -28.86 0.58 -9.18 1.42 0
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48006 10536378 1 NO4C10H11 AB4C10D11 -150.95 6.57 -9.68 -0.33 0
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48007 10536382 1 NO3C11H15 AB3C11D15 -105.84 4.96 -10.04 -0.04 0
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48008 10536384 1 NOH11C14 ABC11D14 3.95 3.25 -8.95 -0.37 0
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48009 10536392 1 NO2C12H19 AB2C12D19 -77.33 5.25 -9.88 0.39 0
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48010 10536394 1 NO2C12H19 AB2C12D19 -62.83 2.12 -8.3 0.26 0