pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.61	AttenGpKa training set	1	0	CCOC(=O)C(=O)NCc1nccnc1[NH3+],CCOC(=O)C(=O)NCc1ncc[nH+]c1N,CCOC(=O)C(=O)NCc1[nH+]ccnc1N	CCOC(=O)C(=O)NCc1nccnc1N	mol25820	CCOC(=O)C(=O)NCc1nccnc1N