pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.46000003814697	QSARToolbox	2	1	CC[NH+](CC)Cc1ccc(C[NH+](CC)CC)c(O)c1O	CCN(CC)Cc1ccc(C[NH+](CC)CC)c(O)c1O,CC[NH+](CC)Cc1ccc(C[NH+](CC)CC)c(O)c1[O-]	mol35651	CCN(CC)Cc1ccc(CN(CC)CC)c(O)c1O