pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.88	IUPAC digitized pKa	0	-1	N#Cc1ncnc2nc[nH]c12	N#Cc1ncnc2nc[n-]c12	mol4859	N#Cc1ncnc2nc[nH]c12
6.8800001	OCHEM	0	-1	N#Cc1ncnc2nc[nH]c12	N#Cc1ncnc2nc[n-]c12	mol4859	N#Cc1ncnc2nc[nH]c12
0.3	IUPAC digitized pKa	1	0	N#Cc1ncnc2[nH+]c[nH]c12,N#Cc1nc[nH+]c2nc[nH]c12,N#Cc1[nH+]cnc2nc[nH]c12	N#Cc1ncnc2nc[nH]c12	mol4859	N#Cc1ncnc2nc[nH]c12