pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.48	Datawarrior	0	-1	C[NH+](C)Cc1cc(CC(C)(C)C)ccc1[O-],CN(C)Cc1cc(CC(C)(C)C)ccc1O	CN(C)Cc1cc(CC(C)(C)C)ccc1[O-]	mol14466	CN(C)Cc1cc(CC(C)(C)C)ccc1O
11.85	AttenGpKa training set	0	-1	C[NH+](C)Cc1cc(CC(C)(C)C)ccc1[O-],CN(C)Cc1cc(CC(C)(C)C)ccc1O	CN(C)Cc1cc(CC(C)(C)C)ccc1[O-]	mol14466	CN(C)Cc1cc(CC(C)(C)C)ccc1O