pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	AttenGpKa training set	1	0	CN/C(=[NH+]\c1c(C)cccc1C)N(C)C	CN/C(=N\c1c(C)cccc1C)N(C)C	mol28063	CN/C(=N\c1c(C)cccc1C)N(C)C