pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	1	0	Cc1cc(C)c2[nH+]c3c(C)cc(C)c(C)c3cc2c1C	Cc1cc(C)c2nc3c(C)cc(C)c(C)c3cc2c1C	mol26718	Cc1cc(C)c2nc3c(C)cc(C)c(C)c3cc2c1C