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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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200245 79371780 1 NO2C18H19 AB2C18D19 -38.0 4.79 -8.7 -0.01 0
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200246 79371781 1 BrFO2H16C17 ABC2D16E17 -95.87 6.12 -8.87 -0.26 0
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200247 79371782 1 F2O2H16C17 A2B2C16D17 -143.76 3.9 -8.82 -0.18 0
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200248 79372071 1 NSO4C14H19 ABC4D14E19 -164.31 4.0 -9.62 -0.52 0
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200249 79372166 1 N2O2C17H26 A2B2C17D26 -69.9 4.3 -8.6 0.24 0
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200250 79372167 1 N2O2C17H20 A2B2C17D20 -28.29 3.7 -8.71 0.06 0
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200251 79372638 1 ClOC14H19 ABC14D19 -62.83 2.78 -9.03 0.4 0
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200252 79372946 1 BrSO2N3C12H14 ABC2D3E12F14 -53.37 7.58 -8.3 -0.22 0
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200253 79372947 1 BrSF2O2N3H10C11 ABC2D2E3F10G11 -110.68 9.37 -9.07 -0.62 0
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200254 79372948 1 SN3O3C12H15 AB3C3D12E15 -69.51 9.04 -8.22 -0.05 0
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200255 79373067 1 ClOC10H19 ABC10D19 -94.08 3.3 -9.71 0.77 0
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200256 79373548 1 O2S2N5C10H15 A2B2C5D10E15 -17.09 7.86 -9.08 -0.46 0
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200257 79373786 1 ClOC10H19 ABC10D19 -90.57 1.16 -9.71 0.78 0
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200258 79374155 1 NO2C17H25 AB2C17D25 -60.34 4.07 -8.64 0.22 0
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200259 79374156 1 NO2C17H25 AB2C17D25 -87.13 4.26 -8.55 0.3 0
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200260 79374602 1 ON3C16H25 AB3C16D25 -20.23 2.97 -8.24 0.13 0
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200261 79374891 2 NOC7H8 ABC7D8 -27.71 3.31 -8.8 -0.02 0
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200262 79374892 1 NO2C17H25 AB2C17D25 -90.36 3.78 -8.55 0.33 0
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200263 79374893 2 ON2C7H9 AB2C7D9 -45.09 3.89 -8.5 -0.29 0
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200264 79374894 1 O2N4C13H16 A2B4C13D16 -33.63 3.2 -9.09 -0.41 0
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200265 79374895 1 O2N5C12H15 A2B5C12D15 -12.69 5.39 -9.45 -0.56 0
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200266 79374896 1 NO3C12H15 AB3C12D15 -105.92 3.99 -8.8 -0.12 0
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200267 79374897 1 NO3C13H17 AB3C13D17 -112.89 3.29 -8.7 0.02 0
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200268 79374898 1 O2N3C15H23 A2B3C15D23 -40.45 3.95 -9.07 -0.3 0
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200269 79374899 1 O2F3N3C10H14 A2B3C3D10E14 -232.53 7.25 -9.68 -0.58 0