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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31023 854151 1 O3C10H16 A3B10C16 -155.87 3.45 -9.98 0.52 0
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31024 854155 1 O3C10H16 A3B10C16 -156.81 3.75 -10.15 0.33 1
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31025 854171 1 NS2C10H10 AB2C10D10 44.85 4.11 0.0 0.0 0
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31026 854173 1 NCl2O2H9C15 AB2C2D9E15 -38.92 3.9 -9.58 -1.48 0
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31027 854175 1 NO4C11H13 AB4C11D13 -158.19 2.3 -10.37 -1.08 0
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31028 854176 1 OSN2C11H12 ABC2D11E12 -15.19 4.87 -9.32 -0.9 0
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31029 854181 1 NO5H11C12 AB5C11D12 -180.92 6.25 -10.37 -1.6 0
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31030 854184 1 NO5H11C12 AB5C11D12 -180.9 6.3 -10.36 -1.61 0
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31031 854191 1 BrNOC12H16 ABCD12E16 -41.98 3.87 -9.86 -0.61 0
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31032 854204 1 O2N5C11H17 A2B5C11D17 -71.49 7.1 -8.66 -0.33 0
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31033 854208 1 N2O3C7H14 A2B3C7D14 -155.24 6.27 -10.18 0.23 0
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31034 854214 1 FO5H11C14 AB5C11D14 -213.48 5.12 -9.35 -0.86 0
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31035 854215 1 ON3C14H15 AB3C14D15 56.08 7.64 -8.4 -1.39 0
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31036 854217 1 BrO5H9C15 AB5C9D15 -111.66 4.88 -9.4 -1.79 0
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31037 854219 1 NO5H17C18 AB5C17D18 -165.25 4.85 -9.16 -0.86 1
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31038 854234 1 N3H16C19 A3B16C19 105.46 5.13 0.0 0.0 0
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31039 854242 1 SO2N4C16H18 AB2C4D16E18 -42.1 5.38 -8.8 -0.67 0
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31040 854243 1 ClN2O3H13C17 AB2C3D13E17 -90.19 3.21 -9.19 -0.96 0
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31041 854248 1 NOCl2H11C14 ABC2D11E14 -18.51 3.18 -8.8 -1.06 0
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31042 854251 1 NSO3C14H15 ABC3D14E15 -66.86 6.23 -8.87 -0.6 0
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31043 854262 1 SO2N4C17H22 AB2C4D17E22 -0.85 9.67 -8.43 -0.76 0
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31044 854270 1 NSO4C11H15 ABC4D11E15 -172.04 5.4 -9.84 -0.44 0
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31045 854275 1 NSO2C19H19 ABC2D19E19 -28.75 5.2 -8.61 -0.45 0
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31046 854281 1 ON2H18C20 AB2C18D20 32.51 5.87 -7.83 -0.41 0
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31047 854293 1 FON3C20H20 ABC3D20E20 -12.58 6.97 -8.46 -0.21 0
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31048 854296 1 O3C14H16 A3B14C16 -113.99 5.92 -8.93 -0.75 0
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31049 854297 1 ON3C7H11 AB3C7D11 -23.17 5.74 -8.8 0.59 0
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31050 854298 1 BrNOH14C15 ABCD14E15 -11.38 2.0 -8.78 -0.2 0
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31051 854302 1 NO3C13H23 AB3C13D23 -170.47 4.86 -9.81 0.58 0
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31052 854314 1 N2S2H8C11 A2B2C8D11 84.9 9.18 -8.73 -1.39 0
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31053 854315 1 OSN2H14C17 ABC2D14E17 55.34 1.89 -8.6 -0.94 0
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31054 854318 1 ClO5H13C18 AB5C13D18 -153.47 7.22 -9.51 -1.46 0
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31055 854325 1 ClSN2H13C16 ABC2D13E16 61.57 10.08 -8.61 -1.36 0
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31056 854326 1 NO5H17C19 AB5C17D19 -130.07 10.92 -9.1 -1.63 0
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31057 854327 1 NO5H17C19 AB5C17D19 -130.03 9.39 -9.02 -1.61 0
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31058 854332 1 O6H16C17 A6B16C17 -234.86 7.69 -9.19 -0.91 0
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31059 854333 1 O4H12C17 A4B12C17 -83.99 5.78 -9.42 -1.17 0
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31060 854334 1 NSO4C11H13 ABC4D11E13 -139.68 4.33 -8.89 -0.53 0
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31061 854335 1 NSO4C11H13 ABC4D11E13 -138.11 5.71 -8.84 -0.36 0
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31062 854337 1 NSO4C11H13 ABC4D11E13 -140.36 1.77 -8.77 -0.32 0
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31063 854346 1 FNO3C20H22 ABC3D20E22 -161.4 7.83 -8.89 -0.57 0
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31064 854350 1 ON3H13C15 AB3C13D15 36.58 1.96 -9.11 -0.84 0
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31065 854361 1 NO2C17H19 AB2C17D19 -75.14 3.35 -9.2 -0.03 0
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31066 854362 1 NO2C17H19 AB2C17D19 -72.02 3.02 -9.15 0.0 0
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31067 854369 1 N2O2C13H16 A2B2C13D16 -81.55 3.4 -8.43 -0.14 0
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31068 854371 1 NO3C12H13 AB3C12D13 -105.69 3.86 -9.84 -0.11 0
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31069 854376 1 BrNO2H10C15 ABC2D10E15 -5.04 2.4 -9.07 -1.11 0
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31070 854377 2 NO2H8C9 AB2C8D9 -117.04 2.74 -8.59 -0.51 0
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31071 854378 1 N2O3C17H20 A2B3C17D20 -127.94 2.26 -8.92 -0.43 0
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31072 854385 1 H4N4C7 A4B4C7 128.14 5.04 -10.06 -1.4 0