pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.02	SAMPL6	0	-1	O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1	""	SM03	O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1