pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72	SAMPL8	1	0	COc1ccc(Nc2[nH+]c(Cl)nc3ccccc23)cc1OC,COc1ccc([NH2+]c2nc(Cl)nc3ccccc23)cc1OC,COc1ccc(Nc2nc(Cl)[nH+]c3ccccc23)cc1OC	COc1ccc(Nc2nc(Cl)nc3ccccc23)cc1OC	SAMPL8-18	COc1ccc(Nc2nc(Cl)nc3ccccc23)cc1OC