pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.67	Baltruschat ChEMBL	1	0	C=CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)C	C=CC(C)(C)OC[C@@H](O)CNC(C)(C)C	mol17349	C=CC(C)(C)OCC(O)CNC(C)(C)C