pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.16	OCHEM	1	0	C[N+](C)(C)c1ccccc1C(=O)O	C[N+](C)(C)c1ccccc1C(=O)[O-]	mol22758	C[N+](C)(C)c1ccccc1C(=O)O
1.37000000476837	QSARToolbox	1	0	C[N+](C)(C)c1ccccc1C(=O)O	C[N+](C)(C)c1ccccc1C(=O)[O-]	mol22758	C[N+](C)(C)c1ccccc1C(=O)O
1.1599999666214	QSARToolbox	1	0	C[N+](C)(C)c1ccccc1C(=O)O	C[N+](C)(C)c1ccccc1C(=O)[O-]	mol22758	C[N+](C)(C)c1ccccc1C(=O)O
1.265	AttenGpKa training set	1	0	C[N+](C)(C)c1ccccc1C(=O)O	C[N+](C)(C)c1ccccc1C(=O)[O-]	mol22758	C[N+](C)(C)c1ccccc1C(=O)O