pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	Baltruschat ChEMBL	1	0	[NH3+]c1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@@H](C(=O)Nc1ccccc1)CS2	Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)[C@@H](C(=O)Nc1ccccc1)CS2	mol16146	Nc1c(Cc2cccc3ccccc23)c(C2CC2)c2n(c1=O)C(C(=O)Nc1ccccc1)CS2