pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71	IUPAC digitized pKa	1	0	CSc1nccc(N(C)C)[nH+]1,CSc1nc(N(C)C)cc[nH+]1,CSc1nccc([NH+](C)C)n1	CSc1nccc(N(C)C)n1	mol7413	CSc1nccc(N(C)C)n1
5.73	AttenGpKa training set	1	0	CSc1nccc(N(C)C)[nH+]1,CSc1nc(N(C)C)cc[nH+]1,CSc1nccc([NH+](C)C)n1	CSc1nccc(N(C)C)n1	mol7413	CSc1nccc(N(C)C)n1