pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	Cc1cccc(Nc2nc([NH2+][C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1,Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3[NH3+])ncc2C(N)=O)c1,Cc1cccc([NH2+]c2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1	Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1	mol18388	Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1