pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4300000667572	QSARToolbox	1	0	C[N+](C)(C)c1ccc(C(=O)O)cc1	C[N+](C)(C)c1ccc(C(=O)[O-])cc1	mol22757	C[N+](C)(C)c1ccc(C(=O)O)cc1
3.21000003814697	QSARToolbox	1	0	C[N+](C)(C)c1ccc(C(=O)O)cc1	C[N+](C)(C)c1ccc(C(=O)[O-])cc1	mol22757	C[N+](C)(C)c1ccc(C(=O)O)cc1
3.405	AttenGpKa training set	1	0	C[N+](C)(C)c1ccc(C(=O)O)cc1	C[N+](C)(C)c1ccc(C(=O)[O-])cc1	mol22757	C[N+](C)(C)c1ccc(C(=O)O)cc1