pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.34	OCHEM	1	0	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NC[C@@H](O)CO)cccc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2c(C(=O)NC[C@@H](O)CO)cccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC[C@@H](O)CO)cccc12	mol18290	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCC(O)CO)cccc12