pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	0	-1	[O-]c1noc2c1CC[NH2+]CC2	[O-]c1noc2c1CCNCC2	mol19929	Oc1noc2c1CCNCC2
4.8	Baltruschat ChEMBL	1	0	Oc1noc2c1CC[NH2+]CC2	[O-]c1noc2c1CC[NH2+]CC2	mol19929	Oc1noc2c1CCNCC2