pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.21	IUPAC digitized pKa	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]
-1.2	IUPAC digitized pKa	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]
-1.49	Hunt	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]
-1.205	OCHEM	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]
-1.43	AttenGpKa training set	1	0	C[NH2+]c1ccc(Cl)cc1[N+](=O)[O-]	CNc1ccc(Cl)cc1[N+](=O)[O-]	mol1002	CNc1ccc(Cl)cc1[N+](=O)[O-]