pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28	euroSAMPL1	0	-1	Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1	Cc1ccc(-n2nnc(C(=O)[O-])c2C2CC2)cc1	euroSAMPL-29	Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1