pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.11	IUPAC digitized pKa	1	0	CCOC(=O)[C@H](C(C)=O)[C@H]1C=Nc2[nH+]cncc2N1,CCOC(=O)[C@H](C(C)=O)[C@H]1C=[NH+]c2ncncc2N1,CCOC(=O)[C@H](C(C)=O)[C@H]1C=Nc2ncncc2[NH2+]1,CCOC(=O)[C@H](C(C)=O)[C@H]1C=Nc2nc[nH+]cc2N1	CCOC(=O)[C@H](C(C)=O)[C@H]1C=Nc2ncncc2N1	mol8188	CCOC(=O)C(C(C)=O)C1C=Nc2ncncc2N1