pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	IUPAC digitized pKa	1	0	Cc1nc(OC(C)C)cc[nH+]1,Cc1nccc(OC(C)C)[nH+]1	Cc1nccc(OC(C)C)n1	mol7478	Cc1nccc(OC(C)C)n1
4.46000003814697	QSARToolbox	1	0	Cc1nc(OC(C)C)cc[nH+]1,Cc1nccc(OC(C)C)[nH+]1	Cc1nccc(OC(C)C)n1	mol7478	Cc1nccc(OC(C)C)n1