pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	OCHEM	1	0	CC(C)(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	CC(C)(C)[NH2+]C[C@@H](O)c1cc([O-])cc(O)c1,CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1	mol31871	CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1