pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	Baltruschat ChEMBL	2	1	CCOC(=O)[C@H]1CCc2[nH+]c3c(ccn4cc[nH+]c34)cc2C1	CCOC(=O)[C@H]1CCc2nc3c(ccn4cc[nH+]c34)cc2C1,CCOC(=O)[C@H]1CCc2[nH+]c3c(ccn4ccnc34)cc2C1	mol17984	CCOC(=O)C1CCc2nc3c(ccn4ccnc34)cc2C1