pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.15	Datawarrior	0	-1	Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O	Cc1nc2c(n1C)C(=O)c1ncnc([O-])c1C2=O	mol14814	Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O
6.1500001	OCHEM	0	-1	Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O	Cc1nc2c(n1C)C(=O)c1ncnc([O-])c1C2=O	mol14814	Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O
1.15	Datawarrior	2	1	Cc1[nH+]c2c(n1C)C(=O)c1[nH+]cnc(O)c1C2=O,Cc1[nH+]c2c(n1C)C(=O)c1nc[nH+]c(O)c1C2=O	Cc1nc2c(n1C)C(=O)c1nc[nH+]c(O)c1C2=O,Cc1nc2c(n1C)C(=O)c1[nH+]cnc(O)c1C2=O,Cc1[nH+]c2c(n1C)C(=O)c1ncnc(O)c1C2=O	mol14814	Cc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O