pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.33	OCHEM	1	0	CC[C@@H](C)Oc1nccc[nH+]1	CC[C@@H](C)Oc1ncccn1	mol7180	CCC(C)Oc1ncccn1
1.62999999523163	QSARToolbox	1	0	CC[C@@H](C)Oc1nccc[nH+]1	CC[C@@H](C)Oc1ncccn1	mol7180	CCC(C)Oc1ncccn1