pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.48	Datawarrior	0	-1	CN(C)Cc1cc(OCc2ccccc2)ccc1O,C[NH+](C)Cc1cc(OCc2ccccc2)ccc1[O-]	CN(C)Cc1cc(OCc2ccccc2)ccc1[O-]	mol15488	CN(C)Cc1cc(OCc2ccccc2)ccc1O
11.79	AttenGpKa training set	0	-1	CN(C)Cc1cc(OCc2ccccc2)ccc1O,C[NH+](C)Cc1cc(OCc2ccccc2)ccc1[O-]	CN(C)Cc1cc(OCc2ccccc2)ccc1[O-]	mol15488	CN(C)Cc1cc(OCc2ccccc2)ccc1O