pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	euroSAMPL1	0	-1	CCc1cc2c(=O)[nH]cnc2s1	CCc1cc2c(=O)[n-]cnc2s1	euroSAMPL-18	CCc1cc2c(=O)[nH]cnc2s1
