pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02	SAMPL8	0	-1	Cc1nc2cc(O)ccc2s1	Cc1nc2cc([O-])ccc2s1	SAMPL8-23	Cc1nc2cc(O)ccc2s1
2.65	SAMPL8	1	0	Cc1[nH+]c2cc(O)ccc2s1	Cc1nc2cc(O)ccc2s1	SAMPL8-23	Cc1nc2cc(O)ccc2s1