pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	AttenGpKa training set	1	0	Cc1c([NH3+])c(=O)n(-c2ccccc2)n1C	Cc1c(N)c(=O)n(-c2ccccc2)n1C	mol6790	Cc1c(N)c(=O)n(-c2ccccc2)n1C
-1.26	IUPAC digitized pKa	2	1	Cc1c([NH3+])c(=[OH+])n(-c2ccccc2)n1C	Cc1c([NH3+])c(=O)n(-c2ccccc2)n1C	mol6790	Cc1c(N)c(=O)n(-c2ccccc2)n1C