pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	IUPAC digitized pKa	1	0	Nc1[nH+]nc(-c2ccccc2)s1,Nc1n[nH+]c(-c2ccccc2)s1,[NH3+]c1nnc(-c2ccccc2)s1	Nc1nnc(-c2ccccc2)s1	mol4248	Nc1nnc(-c2ccccc2)s1
2.9000001	OCHEM	1	0	Nc1[nH+]nc(-c2ccccc2)s1,Nc1n[nH+]c(-c2ccccc2)s1,[NH3+]c1nnc(-c2ccccc2)s1	Nc1nnc(-c2ccccc2)s1	mol4248	Nc1nnc(-c2ccccc2)s1