pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Baltruschat ChEMBL	1	0	COc1cncc(-c2cc(NC(=O)C[NH+]3CCOCC3)nc(-n3nc(C)cc3C)n2)c1	COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1	mol19836	COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1