pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	OCHEM	1	0	COCCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1	mol17907	COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1
9.60000038146973	QSARToolbox	1	0	COCCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1	mol17907	COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1