pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82	Baltruschat ChEMBL	1	0	CC(C)CN(Cc1ccc(C#N)cc1)C(=[OH+])/C=C/[C@@H](C)Cl	CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C/[C@@H](C)Cl	mol17111	CC(Cl)/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C