pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	Baltruschat ChEMBL	0	-1	Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C)C2=O	Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)[O-])CCN(C)C2=O	mol19616	Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C)C2=O