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TIG8: k1_bo1 = 1.71, k1_bo2 = 10.5 kcal/mol
this results in the k value going to zero at bondorder of 0.8, whereas this may not be true.
In the new amide dataset created by Simon Boothroyd, molecules that match t72 have a WBO spanning the range of 0.7 to 0.9
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ELF10 WBO | Chemical structure | |
|---|---|---|
0.75 |  | |
0.75 |  | |
0.79 |  | |
0.72 |  |