pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.37	OCHEM	2	1	CC[NH+](CC)CCCn1c2ccccc2c(=[OH+])c2cc(Cl)ccc21	CC[NH+](CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21	mol17165	CCN(CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21