pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	1	0	O=c1cc([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o[nH]1	O=c1cc([C@@H]2CCN[C@H](Cc3ccccc3)C2)o[nH]1	mol18029	O=c1cc([C@@H]2CCN[C@H](Cc3ccccc3)C2)o[nH]1