pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	AttenGpKa training set	0	-1	CCCC[C@H](CC)CO[P@@](=O)(O)C[C@@H](CC)CCCC	CCCC[C@H](CC)CO[P@@](=O)([O-])C[C@@H](CC)CCCC	mol29051	CCCCC(CC)COP(=O)(O)CC(CC)CCCC