pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	COC(=O)Cn1cc[nH+]c1	COC(=O)Cn1ccnc1	mol18491	COC(=O)Cn1ccnc1
6.35	AttenGpKa training set	1	0	COC(=O)Cn1cc[nH+]c1	COC(=O)Cn1ccnc1	mol18491	COC(=O)Cn1ccnc1