pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	AttenGpKa training set	1	0	CCOC(=O)C1=Nc2[nH+]ccnc2CN1,CCOC(=O)C1=Nc2ncc[nH+]c2CN1,CCOC(=O)C1=[NH+]c2nccnc2CN1,CCOC(=[OH+])C1=Nc2nccnc2CN1	CCOC(=O)C1=Nc2nccnc2CN1	mol26268	CCOC(=O)C1=Nc2nccnc2CN1