pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	AttenGpKa training set	1	0	NC1=[NH+]C[C@H](COCc2ccco2)O1	NC1=NC[C@H](COCc2ccco2)O1	mol30268	NC1=NCC(COCc2ccco2)O1