pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	AttenGpKa training set	1	0	COC(=O)c1ccc2nc3ccccc3c([NH3+])c2c1,COC(=O)c1ccc2[nH+]c3ccccc3c(N)c2c1	COC(=O)c1ccc2nc3ccccc3c(N)c2c1	mol26707	COC(=O)c1ccc2nc3ccccc3c(N)c2c1