pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	0	-1	OB(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1	OB(O)c1ccccc1/C=N/[N-]C(=S)NC1CCCCC1	mol18577	OB(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1