pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	AttenGpKa training set	0	-1	Nc1ccccc1-c1ccc(C(=O)O)o1,[NH3+]c1ccccc1-c1ccc(C(=O)[O-])o1	Nc1ccccc1-c1ccc(C(=O)[O-])o1	mol29574	Nc1ccccc1-c1ccc(C(=O)O)o1
2.44	AttenGpKa training set	1	0	[NH3+]c1ccccc1-c1ccc(C(=O)O)o1,Nc1ccccc1-c1ccc(C(O)=[OH+])o1	Nc1ccccc1-c1ccc(C(=O)O)o1,[NH3+]c1ccccc1-c1ccc(C(=O)[O-])o1	mol29574	Nc1ccccc1-c1ccc(C(=O)O)o1