pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	AttenGpKa training set	1	0	C[C@H]1[C@H](c2ccccc2)OCC[NH+]1C	C[C@H]1[C@H](c2ccccc2)OCCN1C	mol29564	C[C@H]1[C@H](c2ccccc2)OCCN1C