pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	1	0	COc1ccccc1Nc1c2ccccc2[nH+]c2ccc(C(C)C)c(NS(C)(=O)=O)c12,COc1ccccc1[NH2+]c1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12,COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c([NH2+]S(C)(=O)=O)c12	COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12	mol21309	COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12