pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.09	Baltruschat ChEMBL	1	0	COc1cc([NH2+]S(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2,COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=[NH2+])CC=C2,COc1cc(NS(C)(=O)=O)ccc1Cc1c2c([nH+]c3ccccc13)C(=N)CC=C2	COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2	mol18715	COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2