pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.75	AttenGpKa training set	0	-1	Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1	Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccn4C)[nH]c3c2)cc1	mol29959	Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1
4.67	AttenGpKa training set	1	0	Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]c(-c4cccn4C)[nH]c3c2)cc1,Cc1ccc(S(=O)(=O)[NH2+]c2ccc3nc(-c4cccn4C)[nH]c3c2)cc1	Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1	mol29959	Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1