pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.62	IUPAC digitized pKa	1	0	CCOC(=O)N1C[NH+]=Cc2nccnc21,CCOC(=O)N1CN=Cc2ncc[nH+]c21,CCOC(=O)N1CN=Cc2[nH+]ccnc21	CCOC(=O)N1CN=Cc2nccnc21	mol8185	CCOC(=O)N1CN=Cc2nccnc21