pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccnc2ccccc12	[NH-]S(=O)(=O)c1ccnc2ccccc12	mol26095	NS(=O)(=O)c1ccnc2ccccc12
2.25	AttenGpKa training set	1	0	NS(=O)(=O)c1cc[nH+]c2ccccc12,[NH3+]S(=O)(=O)c1ccnc2ccccc12	NS(=O)(=O)c1ccnc2ccccc12	mol26095	NS(=O)(=O)c1ccnc2ccccc12