pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	Datawarrior	1	0	Nc1nc[nH+]c2c1nnn2Cc1ccco1,Nc1ncnc2c1[nH+]nn2Cc1ccco1,Nc1ncnc2c1n[nH+]n2Cc1ccco1,[NH3+]c1ncnc2c1nnn2Cc1ccco1,Nc1[nH+]cnc2c1nnn2Cc1ccco1	Nc1ncnc2c1nnn2Cc1ccco1	mol14509	Nc1ncnc2c1nnn2Cc1ccco1
2.5999999	OCHEM	1	0	Nc1nc[nH+]c2c1nnn2Cc1ccco1,Nc1ncnc2c1[nH+]nn2Cc1ccco1,Nc1ncnc2c1n[nH+]n2Cc1ccco1,[NH3+]c1ncnc2c1nnn2Cc1ccco1,Nc1[nH+]cnc2c1nnn2Cc1ccco1	Nc1ncnc2c1nnn2Cc1ccco1	mol14509	Nc1ncnc2c1nnn2Cc1ccco1
2.59999990463257	QSARToolbox	1	0	Nc1nc[nH+]c2c1nnn2Cc1ccco1,Nc1ncnc2c1[nH+]nn2Cc1ccco1,Nc1ncnc2c1n[nH+]n2Cc1ccco1,[NH3+]c1ncnc2c1nnn2Cc1ccco1,Nc1[nH+]cnc2c1nnn2Cc1ccco1	Nc1ncnc2c1nnn2Cc1ccco1	mol14509	Nc1ncnc2c1nnn2Cc1ccco1