pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Baltruschat ChEMBL	1	0	CC1=CC=C[C@H](C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)[NH+](C)CC3	CC1=CC=C[C@H](C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3	mol20753	CC1=CC=CC(C#N)[C@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3