pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Baltruschat ChEMBL	1	0	Cc1[nH]c(=O)c(C#N)cc1-c1cc[nH+]cc1	Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1	mol17521	Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1