pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	Datawarrior	0	-1	O=C1CS(=O)(=O)NC(=O)N1	O=C1CS(=O)(=O)[N-]C(=O)N1	mol12971	O=C1CS(=O)(=O)NC(=O)N1
2.88	AttenGpKa training set	0	-1	O=C1CS(=O)(=O)NC(=O)N1	O=C1CS(=O)(=O)[N-]C(=O)N1	mol12971	O=C1CS(=O)(=O)NC(=O)N1
11.0	AttenGpKa training set	-1	-2	O=C1CS(=O)(=O)[N-]C(=O)N1	O=C1CS(=O)(=O)[N-]C(=O)[N-]1,O=C1[CH-]S(=O)(=O)NC(=O)[N-]1,O=C1[CH-]S(=O)(=O)[N-]C(=O)N1	mol12971	O=C1CS(=O)(=O)NC(=O)N1