pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	1	0	CCCCCSC1=[NH+]CCN1OCc1ccccc1	CCCCCSC1=NCCN1OCc1ccccc1	mol17380	CCCCCSC1=NCCN1OCc1ccccc1