pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	0	-1	[O-]c1noc2c1C[NH2+]CC2	[O-]c1noc2c1CNCC2	mol17045	Oc1noc2c1CNCC2
4.3	OCHEM	1	0	Oc1noc2c1C[NH2+]CC2	[O-]c1noc2c1C[NH2+]CC2	mol17045	Oc1noc2c1CNCC2
4.30000019073486	QSARToolbox	1	0	Oc1noc2c1C[NH2+]CC2	[O-]c1noc2c1C[NH2+]CC2	mol17045	Oc1noc2c1CNCC2