pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Baltruschat ChEMBL	0	-1	CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1	CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1	mol20861	CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1