pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	COc1ccc(NC(=[NH2+])c2cccs2)cc1CSC1CCCC1	COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1	mol19316	COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1