pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.60000002384186	QSARToolbox	1	0	CSc1ncc2ccccc2[nH+]1,CSc1nc2ccccc2c[nH+]1	CSc1ncc2ccccc2n1	mol4645	CSc1ncc2ccccc2n1
1.6	AttenGpKa training set	1	0	CSc1ncc2ccccc2[nH+]1,CSc1nc2ccccc2c[nH+]1	CSc1ncc2ccccc2n1	mol4645	CSc1ncc2ccccc2n1