pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.24	OCHEM	2	1	Cc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(OC[C@@H](O)C[NH2+]C(C)C)c1	Cc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(OC[C@@H](O)CNC(C)C)c1,Cc1ccc(OC[C@H](O)CNC(C)C)c(OC[C@@H](O)C[NH2+]C(C)C)c1	mol21687	Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1