pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.241	IUPAC digitized pKa	1	0	CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1	CCN(CC)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1	mol6176	CCN(CC)CC(C)NC(=O)c1cc(C)cc(C)c1
9.24	AttenGpKa training set	1	0	CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1	CCN(CC)C[C@@H](C)NC(=O)c1cc(C)cc(C)c1	mol6176	CCN(CC)CC(C)NC(=O)c1cc(C)cc(C)c1