pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.85	AttenGpKa training set	1	0	C[C@H]1Cc2cc3c(cc2C(Cc2ccc4c(c2)OCO4)=[NH+]1)OCO3	C[C@H]1Cc2cc3c(cc2C(Cc2ccc4c(c2)OCO4)=N1)OCO3	mol29867	CC1Cc2cc3c(cc2C(Cc2ccc4c(c2)OCO4)=N1)OCO3