pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	IUPAC digitized pKa	0	-1	Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1	Nc1nc2[n-]nc(-c3ccccc3)nc-2c(=O)n1	mol11546	Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1
1.0	IUPAC digitized pKa	1	0	Nc1nc2[nH]nc(-c3ccccc3)[nH+]c-2c(=O)n1,Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)[nH+]1,Nc1nc2[nH][nH+]c(-c3ccccc3)nc-2c(=O)n1,Nc1nc(=O)c2nc(-c3ccccc3)n[nH]c-2[nH+]1,[NH3+]c1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1	Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1	mol11546	Nc1nc2[nH]nc(-c3ccccc3)nc-2c(=O)n1