pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.78	SAMPL8	1	0	COC(=O)c1cn2cccc(C(F)(F)F)c2[nH+]1	COC(=O)c1cn2cccc(C(F)(F)F)c2n1	SAMPL8-8	COC(=O)c1cn2cccc(C(F)(F)F)c2n1