pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	0	-1	Cc1cc([O-])n(C2CC[NH+](C)CC2)n1,Cc1cc(O)n(C2CCN(C)CC2)n1	Cc1cc([O-])n(C2CCN(C)CC2)n1	mol13467	Cc1cc(O)n(C2CCN(C)CC2)n1
6.63	Datawarrior	1	0	Cc1cc(O)n(C2CC[NH+](C)CC2)n1	Cc1cc([O-])n(C2CC[NH+](C)CC2)n1,Cc1cc(O)n(C2CCN(C)CC2)n1	mol13467	Cc1cc(O)n(C2CCN(C)CC2)n1
6.6300001	OCHEM	1	0	Cc1cc(O)n(C2CC[NH+](C)CC2)n1	Cc1cc([O-])n(C2CC[NH+](C)CC2)n1,Cc1cc(O)n(C2CCN(C)CC2)n1	mol13467	Cc1cc(O)n(C2CCN(C)CC2)n1