pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.74	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	mol21750	CC1(C)SC2C(NC(=O)c3ccccc3)C(=O)N2C1C(=O)O