pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.99	OCHEM	1	0	CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1	mol129	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1
8.8	OCHEM	1	0	CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1	mol129	CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1