pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	OCHEM	1	0	C[NH2+]CC[C@@H](Oc1ccccc1C)c1ccccc1	CNCC[C@@H](Oc1ccccc1C)c1ccccc1	mol130	CNCC[C@@H](Oc1ccccc1C)c1ccccc1
10.33	Baltruschat ChEMBL	1	0	C[NH2+]CC[C@@H](Oc1ccccc1C)c1ccccc1	CNCC[C@@H](Oc1ccccc1C)c1ccccc1	mol130	CNCC[C@@H](Oc1ccccc1C)c1ccccc1