pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	2	1	Cc1cc2cc[nH]c2c(C(=O)Nc2cccc[nH+]2)[nH+]1	Cc1cc2cc[nH]c2c(C(=O)Nc2ccccn2)[nH+]1,Cc1cc2cc[nH]c2c(C(=O)Nc2cccc[nH+]2)n1	mol16816	Cc1cc2cc[nH]c2c(C(=O)Nc2ccccn2)n1