pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.86	AttenGpKa training set	0	-1	C[P@@](=O)(S)NCc1ccccc1	[CH2-][P@@](=O)(S)NCc1ccccc1,C[P@@](=O)(S)[N-]Cc1ccccc1	mol28964	CP(=O)(S)NCc1ccccc1