pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	Cc1cccc(NC(=O)c2[nH+]c(C)cc3cc[nH]c23)n1,Cc1cc2cc[nH]c2c(C(=O)Nc2cccc(C)[nH+]2)n1	Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1	mol16817	Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1