pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.25	AttenGpKa training set	1	0	CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)[NH+](C)C	CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)N(C)C	mol29795	CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)N(C)C