pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	Baltruschat ChEMBL	1	0	C/C(CC1CC1)=N/OC[C@@H](O)C[NH2+]C(C)(C)C	C/C(CC1CC1)=N/OC[C@@H](O)CNC(C)(C)C	mol17332	C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C