pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.49	IUPAC digitized pKa	0	-1	Cc1cc(S)c2ncccc2c1,Cc1cc([S-])c2[nH+]cccc2c1	Cc1cc([S-])c2ncccc2c1	mol7758	Cc1cc(S)c2ncccc2c1
8.48999977111816	QSARToolbox	0	-1	Cc1cc(S)c2ncccc2c1,Cc1cc([S-])c2[nH+]cccc2c1	Cc1cc([S-])c2ncccc2c1	mol7758	Cc1cc(S)c2ncccc2c1
2.11	IUPAC digitized pKa	1	0	Cc1cc(S)c2[nH+]cccc2c1	Cc1cc(S)c2ncccc2c1,Cc1cc([S-])c2[nH+]cccc2c1	mol7758	Cc1cc(S)c2ncccc2c1
2.10999989509583	QSARToolbox	1	0	Cc1cc(S)c2[nH+]cccc2c1	Cc1cc(S)c2ncccc2c1,Cc1cc([S-])c2[nH+]cccc2c1	mol7758	Cc1cc(S)c2ncccc2c1