pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	IUPAC digitized pKa	0	-1	CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)[O-]	CC[C@H](C)[C@H](NC(=O)CN)C(=O)[O-]	mol5410	CC[C@H](C)[C@H](NC(=O)CN)C(=O)O
8.41	AttenGpKa training set	0	-1	CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)[O-]	CC[C@H](C)[C@H](NC(=O)CN)C(=O)[O-]	mol5410	CC[C@H](C)[C@H](NC(=O)CN)C(=O)O