pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Baltruschat ChEMBL	0	-1	[O-]c1cc(C2CC[NH2+]CC2)on1	[O-]c1cc(C2CCNCC2)on1	mol16713	Oc1cc(C2CCNCC2)on1
10.5	Baltruschat ChEMBL	0	-1	[O-]c1cc(C2CC[NH2+]CC2)on1	[O-]c1cc(C2CCNCC2)on1	mol16713	Oc1cc(C2CCNCC2)on1
5.3	Baltruschat ChEMBL	1	0	Oc1cc(C2CC[NH2+]CC2)on1	[O-]c1cc(C2CC[NH2+]CC2)on1	mol16713	Oc1cc(C2CCNCC2)on1
4.0	Baltruschat ChEMBL	1	0	Oc1cc(C2CC[NH2+]CC2)on1	[O-]c1cc(C2CC[NH2+]CC2)on1	mol16713	Oc1cc(C2CCNCC2)on1