pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.42	AttenGpKa training set	1	0	CC(=O)OCc1[nH+]ccnc1N,CC(=[OH+])OCc1nccnc1N,CC(=O)OCc1nccnc1[NH3+],CC(=O)OCc1ncc[nH+]c1N	CC(=O)OCc1nccnc1N	mol25772	CC(=O)OCc1nccnc1N