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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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290150 104415009 1 N2O3C12H24 A2B3C12D24 -166.63 6.02 -9.49 0.55 0
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290151 104415058 1 FN2O2C15H23 AB2C2D15E23 -139.03 2.47 -9.34 -0.36 0
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290152 104415098 1 O2N3C15H25 A2B3C15D25 -93.89 5.85 -8.9 0.2 0
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290153 104415162 2 NOC6H11 ABC6D11 -109.46 1.11 -9.47 0.51 0
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290154 104415174 2 NOC6H12 ABC6D12 -121.63 2.21 -9.29 0.55 0
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290155 104415212 1 ON3C17H29 AB3C17D29 -48.93 3.55 -8.5 0.15 0
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290156 104415561 1 ON3C17H25 AB3C17D25 -0.98 4.38 -9.31 -0.41 0
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290157 104415598 1 ON4C15H26 AB4C15D26 -42.03 7.02 -8.84 0.07 0
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290158 104415601 1 ON4C16H28 AB4C16D28 -44.66 3.43 -8.32 0.23 0
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290159 104415617 2 NO2C5H9 AB2C5D9 -200.24 3.79 -10.05 -0.2 0
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290160 104415674 1 O3N4C13H26 A3B4C13D26 -138.28 3.7 -9.56 0.65 -1
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290161 104415677 1 BON2F3C8H17 ABC2D3E8F17 -322.22 4.97 0.0 0.0 0
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290162 104415830 1 O3N7C11H19 A3B7C11D19 -9.73 3.43 -9.68 -1.43 0
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290163 104415910 1 O2N4C13H22 A2B4C13D22 -93.13 3.36 -7.97 0.39 0
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290164 104415966 1 O2N5C12H19 A2B5C12D19 -45.82 6.27 -8.54 -0.01 0
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290165 104416217 1 F2N3O3C13H17 A2B3C3D13E17 -205.37 2.13 -9.1 -0.8 0
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290166 104416729 1 ON5C12H23 AB5C12D23 -30.52 1.66 -8.42 0.8 0
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290167 104416800 1 O2N3C14H23 A2B3C14D23 -99.2 3.95 -8.36 0.78 0
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290168 104416850 1 ON3C13H21 AB3C13D21 -50.81 3.6 -7.98 0.5 0
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290169 104417141 1 BrO2N3C12H18 AB2C3D12E18 -66.3 1.38 -8.68 -0.27 0
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290170 104417149 1 O2N4C13H18 A2B4C13D18 -38.47 6.82 -8.15 -0.52 0
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290171 104417156 1 ClO2N5C10H16 AB2C5D10E16 -58.76 3.56 -8.88 -0.66 0
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290172 104417308 2 NO2C7H12 AB2C7D12 -224.99 8.06 -10.31 0.53 0
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290173 104417395 1 SN3O5C11H17 AB3C5D11E17 -203.65 8.43 -10.17 -0.6 0
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290174 104417447 1 SN3O6C11H17 AB3C6D11E17 -227.37 7.01 -10.04 -0.92 0