pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.6	AttenGpKa training set	2	1	CCCCc1[nH+]c(C(C)(C)C)[nH+]c(C(C)(C)C)c1CCC	CCCCc1[nH+]c(C(C)(C)C)nc(C(C)(C)C)c1CCC,CCCCc1nc(C(C)(C)C)[nH+]c(C(C)(C)C)c1CCC	mol25844	CCCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CCC