pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52	AttenGpKa training set	0	-1	C[C@H](CC(C)(C)C)C[P@@](O)(=S)C[C@@H](C)CC(C)(C)C	""	mol29050	CC(CC(C)(C)C)CP(O)(=S)CC(C)CC(C)(C)C