pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	IUPAC digitized pKa	1	0	CSc1cc(C)cc2c(C)cc[nH+]c12	CSc1cc(C)cc2c(C)ccnc12	mol7739	CSc1cc(C)cc2c(C)ccnc12
4.53999996185303	QSARToolbox	1	0	CSc1cc(C)cc2c(C)cc[nH+]c12	CSc1cc(C)cc2c(C)ccnc12	mol7739	CSc1cc(C)cc2c(C)ccnc12