pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	IUPAC digitized pKa	1	0	Clc1cccc2ccc[nH+]c12	Clc1cccc2cccnc12	mol4381	Clc1cccc2cccnc12
3.11999988555908	QSARToolbox	1	0	Clc1cccc2ccc[nH+]c12	Clc1cccc2cccnc12	mol4381	Clc1cccc2cccnc12