pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15	IUPAC digitized pKa	1	0	CCOC(=O)c1ccc([NH+](C)N)cc1,CCOC(=O)c1ccc(N(C)[NH3+])cc1	CCOC(=O)c1ccc(N(C)N)cc1	mol8848	CCOC(=O)c1ccc(N(C)N)cc1
4.15000009536743	QSARToolbox	1	0	CCOC(=O)c1ccc([NH+](C)N)cc1,CCOC(=O)c1ccc(N(C)[NH3+])cc1	CCOC(=O)c1ccc(N(C)N)cc1	mol8848	CCOC(=O)c1ccc(N(C)N)cc1