pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1cccc(OCC(=O)O)c1	N#Cc1cccc(OCC(=O)[O-])c1	mol21766	N#Cc1cccc(OCC(=O)O)c1
3.02999997138977	QSARToolbox	0	-1	N#Cc1cccc(OCC(=O)O)c1	N#Cc1cccc(OCC(=O)[O-])c1	mol21766	N#Cc1cccc(OCC(=O)O)c1
3.29999995231628	QSARToolbox	0	-1	N#Cc1cccc(OCC(=O)O)c1	N#Cc1cccc(OCC(=O)[O-])c1	mol21766	N#Cc1cccc(OCC(=O)O)c1