pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.06	IUPAC digitized pKa	1	0	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)[nH+]ccc12,Cc1[nH+]c2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	mol5071	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12
6.9	IUPAC digitized pKa	1	0	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)[nH+]ccc12,Cc1[nH+]c2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	mol5071	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12
6.85	IUPAC digitized pKa	1	0	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)[nH+]ccc12,Cc1[nH+]c2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	mol5071	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12
6.7	IUPAC digitized pKa	1	0	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)[nH+]ccc12,Cc1[nH+]c2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12	mol5071	Cc1nc2c(c(C)c1C)c(C)c(C)c1c(C)nccc12