pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	0	-1	CCOC(=O)Cc1ccc(O)c2ncccc12	CCOC(=O)Cc1ccc([O-])c2ncccc12	mol19471	CCOC(=O)Cc1ccc(O)c2ncccc12
0.0	Baltruschat ChEMBL	1	0	CCOC(=O)Cc1ccc(O)c2[nH+]cccc12	CCOC(=O)Cc1ccc(O)c2ncccc12	mol19471	CCOC(=O)Cc1ccc(O)c2ncccc12
4.72	Baltruschat ChEMBL	1	0	CCOC(=O)Cc1ccc(O)c2[nH+]cccc12	CCOC(=O)Cc1ccc(O)c2ncccc12	mol19471	CCOC(=O)Cc1ccc(O)c2ncccc12