pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	0	-1	[O-]c1cc(C2=CC[NH2+]CC2)on1	[O-]c1cc(C2=CCNCC2)on1	mol16717	Oc1cc(C2=CCNCC2)on1
5.1	Baltruschat ChEMBL	1	0	Oc1cc(C2=CC[NH2+]CC2)on1	[O-]c1cc(C2=CC[NH2+]CC2)on1	mol16717	Oc1cc(C2=CCNCC2)on1