pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	0	-1	COc1cc(C)c(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1	mol18135	COc1cc(C)c(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1