pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.95	Baltruschat ChEMBL	1	0	CN(c1ccc([NH2+]c2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O,CN(c1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1)S(C)(=O)=O	CN(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O	mol18675	CN(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O