pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	Baltruschat ChEMBL	1	0	COc1ccc([NH2+]Cc2ccc3sc(B(O)O)cc3c2)cc1OC	COc1ccc(NCc2ccc3sc(B(O)O)cc3c2)cc1OC	mol17361	COc1ccc(NCc2ccc3sc(B(O)O)cc3c2)cc1OC