pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	Baltruschat ChEMBL	1	0	Oc1onc2c1CCC[NH2+]C2,[O-]c1o[nH+]c2c1CCC[NH2+]C2	[O-]c1onc2c1CCC[NH2+]C2	mol19930	Oc1onc2c1CCCNC2
2.50999999046326	QSARToolbox	1	0	Oc1onc2c1CCC[NH2+]C2,[O-]c1o[nH+]c2c1CCC[NH2+]C2	[O-]c1onc2c1CCC[NH2+]C2	mol19930	Oc1onc2c1CCCNC2