pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	0	-1	CC[C@]1(c2ccccc2)CCC(=O)NC1=O	CC[C@]1(c2ccccc2)CCC(=O)[N-]C1=O	mol29598	CCC1(c2ccccc2)CCC(=O)NC1=O