pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.95	AttenGpKa training set	2	1	CCc1[nH+]c(C(C)(C)C)[nH+]c(C(C)(C)C)c1C	CCc1[nH+]c(C(C)(C)C)nc(C(C)(C)C)c1C,CCc1nc(C(C)(C)C)[nH+]c(C(C)(C)C)c1C	mol25829	CCc1nc(C(C)(C)C)nc(C(C)(C)C)c1C