pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69	Baltruschat ChEMBL	1	0	CCCCOC(=O)[C@@H]([NH3+])CCC(=O)NCCSC(C)=O	CCCCOC(=O)[C@@H](N)CCC(=O)NCCSC(C)=O	mol16961	CCCCOC(=O)[C@@H](N)CCC(=O)NCCSC(C)=O