pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	OCHEM	1	0	O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1	O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CN3CCC2CC3)cc1	mol17101	O=C(c1ccc(Cl)cc1)c1ccc(OC2CN3CCC2CC3)cc1