pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.79	Datawarrior	1	0	COc1ccc([C@H](O)C[NH2+][C@H](C)CC2=C(C)C(C)(C)CC2)cc1	COc1ccc([C@H](O)CN[C@H](C)CC2=C(C)C(C)(C)CC2)cc1	mol15616	COc1ccc(C(O)CNC(C)CC2=C(C)C(C)(C)CC2)cc1