pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	IUPAC digitized pKa	0	-1	Cc1ccc2cccnc2c1S,Cc1ccc2ccc[nH+]c2c1[S-]	Cc1ccc2cccnc2c1[S-]	mol7759	Cc1ccc2cccnc2c1S
9.27000045776367	QSARToolbox	0	-1	Cc1ccc2cccnc2c1S,Cc1ccc2ccc[nH+]c2c1[S-]	Cc1ccc2cccnc2c1[S-]	mol7759	Cc1ccc2cccnc2c1S
2.25	IUPAC digitized pKa	1	0	Cc1ccc2ccc[nH+]c2c1S	Cc1ccc2cccnc2c1S,Cc1ccc2ccc[nH+]c2c1[S-]	mol7759	Cc1ccc2cccnc2c1S