pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.97000002861023	QSARToolbox	1	0	CSc1nc[nH+]c2ccccc12,CSc1[nH+]cnc2ccccc12	CSc1ncnc2ccccc12	mol4646	CSc1ncnc2ccccc12
3.01	AttenGpKa training set	1	0	CSc1nc[nH+]c2ccccc12,CSc1[nH+]cnc2ccccc12	CSc1ncnc2ccccc12	mol4646	CSc1ncnc2ccccc12