pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Baltruschat ChEMBL	1	0	C[C@@H]1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)[NH+](C)CC3	C[C@@H]1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3	mol20754	CC1C=CC=C(C#N)[C@@H]1c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3