pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.63	IUPAC digitized pKa	1	0	CC(=O)Nc1nc2nccnc2c[nH+]1,CC(=O)Nc1ncc2[nH+]ccnc2n1,CC(=O)Nc1ncc2nccnc2[nH+]1,CC(=O)Nc1ncc2ncc[nH+]c2n1	CC(=O)Nc1ncc2nccnc2n1	mol4701	CC(=O)Nc1ncc2nccnc2n1
2.67000007629395	QSARToolbox	1	0	CC(=O)Nc1nc2nccnc2c[nH+]1,CC(=O)Nc1ncc2[nH+]ccnc2n1,CC(=O)Nc1ncc2nccnc2[nH+]1,CC(=O)Nc1ncc2ncc[nH+]c2n1	CC(=O)Nc1ncc2nccnc2n1	mol4701	CC(=O)Nc1ncc2nccnc2n1