pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09	IUPAC digitized pKa	0	-1	O=C([O-])CSc1[nH]c2c3c(ccc2[nH+]1)CCCC3	O=C([O-])CSc1nc2ccc3c(c2[nH]1)CCCC3	mol5048	O=C(O)CSc1nc2ccc3c(c2[nH]1)CCCC3
11.91	IUPAC digitized pKa	-1	-2	O=C([O-])CSc1nc2ccc3c(c2[nH]1)CCCC3	O=C([O-])CSc1nc2ccc3c(c2[n-]1)CCCC3	mol5048	O=C(O)CSc1nc2ccc3c(c2[nH]1)CCCC3