pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94	SAMPL6	0	-1	Oc1ccc(-n2cnc3ccccc32)cc1	[O-]c1ccc(-n2cnc3ccccc32)cc1	SM15	Oc1ccc(-n2cnc3ccccc32)cc1
4.7	SAMPL6	1	0	Oc1ccc(-n2c[nH+]c3ccccc32)cc1	Oc1ccc(-n2cnc3ccccc32)cc1	SM15	Oc1ccc(-n2cnc3ccccc32)cc1