pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	1	0	COc1cccc([NH2+][C@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1	COc1cccc(N[C@H]2Oc3ccccc3C=C2[N+](=O)[O-])c1	mol19488	COc1cccc(NC2Oc3ccccc3C=C2[N+](=O)[O-])c1