pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.87	IUPAC digitized pKa	1	0	Cc1[nH+]n(-c2ccc([N+](=O)[O-])cc2)c(C)c1C	Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C	mol6940	Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C
1.84	AttenGpKa training set	1	0	Cc1[nH+]n(-c2ccc([N+](=O)[O-])cc2)c(C)c1C	Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C	mol6940	Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C