pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	Cc1cc(S)c2nccc(C)c2c1,Cc1cc([S-])c2[nH+]ccc(C)c2c1	Cc1cc([S-])c2nccc(C)c2c1	mol7755	Cc1cc(S)c2nccc(C)c2c1
9.30000019073486	QSARToolbox	0	-1	Cc1cc(S)c2nccc(C)c2c1,Cc1cc([S-])c2[nH+]ccc(C)c2c1	Cc1cc([S-])c2nccc(C)c2c1	mol7755	Cc1cc(S)c2nccc(C)c2c1
2.3	IUPAC digitized pKa	1	0	Cc1cc(S)c2[nH+]ccc(C)c2c1	Cc1cc(S)c2nccc(C)c2c1,Cc1cc([S-])c2[nH+]ccc(C)c2c1	mol7755	Cc1cc(S)c2nccc(C)c2c1
2.29999995231628	QSARToolbox	1	0	Cc1cc(S)c2[nH+]ccc(C)c2c1	Cc1cc(S)c2nccc(C)c2c1,Cc1cc([S-])c2[nH+]ccc(C)c2c1	mol7755	Cc1cc(S)c2nccc(C)c2c1