pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	1	0	CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH+]c(N)[nH]c21,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc([NH3+])[nH]c21	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21	mol20386	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21