pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	OCHEM	0	-1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O	mol1952	CC(C)N1C(=O)c2ccccc2NS1(=O)=O
2.91000008583069	QSARToolbox	0	-1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O	mol1952	CC(C)N1C(=O)c2ccccc2NS1(=O)=O
3.265	AttenGpKa training set	0	-1	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O	mol1952	CC(C)N1C(=O)c2ccccc2NS1(=O)=O