pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	1	0	CO/N=C(\C#N)C1=CCC[NH2+]C1	CO/N=C(\C#N)C1=CCCNC1	mol18863	CO/N=C(\C#N)C1=CCCNC1