pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	AttenGpKa training set	1	0	Cc1c(C(C)(C)C)[nH][nH+]c1C(C)(C)C	Cc1c(C(C)(C)C)n[nH]c1C(C)(C)C	mol25492	Cc1c(C(C)(C)C)n[nH]c1C(C)(C)C