pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	AttenGpKa training set	1	0	O=C(NC(=[OH+])c1cccs1)c1cccs1	O=C(NC(=O)c1cccs1)c1cccs1	mol28423	O=C(NC(=O)c1cccs1)c1cccs1