pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.87	AttenGpKa training set	0	-1	Nc1ncccc1C(=O)Nc1nc2ccccc2s1	Nc1ncccc1C(=O)[N-]c1nc2ccccc2s1	mol29715	Nc1ncccc1C(=O)Nc1nc2ccccc2s1
5.0	AttenGpKa training set	1	0	Nc1[nH+]cccc1C(=O)Nc1nc2ccccc2s1,Nc1ncccc1C(=O)Nc1[nH+]c2ccccc2s1,[NH3+]c1ncccc1C(=O)Nc1nc2ccccc2s1	Nc1ncccc1C(=O)Nc1nc2ccccc2s1	mol29715	Nc1ncccc1C(=O)Nc1nc2ccccc2s1