pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	0	-1	CCOC(=O)Nc1nnc(-c2ccccc2)s1	CCOC(=O)[N-]c1nnc(-c2ccccc2)s1	mol15218	CCOC(=O)Nc1nnc(-c2ccccc2)s1
8.1999998	OCHEM	0	-1	CCOC(=O)Nc1nnc(-c2ccccc2)s1	CCOC(=O)[N-]c1nnc(-c2ccccc2)s1	mol15218	CCOC(=O)Nc1nnc(-c2ccccc2)s1