Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer.ini -i g_create_derivatives_corina.mae -l g_create_derivatives_corina_ionizer.log -b g_create_derivatives_corina_ionizer_bad.mae -o g_create_derivatives_corina_ionizer.mae Ionizable group spec file used: /raid1/people/joha/PETC/PYTHON/DB/ionizer.ini Treating input CT 1 "L-GlutamicAcid_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 1 "L-GlutamicAcid_nacetyl_i001_c001" Treating input CT 2 "Glycine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 2 "Glycine_nacetyl_i001_c001" Treating input CT 3 "L-Alanine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 3 "L-Alanine_nacetyl_i001_c001" Treating input CT 4 "L-Lysine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 4 "L-Lysine_nacetyl_i001_c001" Treating input CT 5 "L-AsparticAcid_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 5 "L-AsparticAcid_nacetyl_i001_c001" Treating input CT 6 "L-Arginine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 6 "L-Arginine_nacetyl_i001_c001" Treating input CT 7 "L-Glutamine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 7 "L-Glutamine_nacetyl_i001_c001" Treating input CT 8 "L-Serine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 8 "L-Serine_nacetyl_i001_c001" Treating input CT 9 "L-Methionine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 9 "L-Methionine_nacetyl_i001_c001" Treating input CT 10 "L-Tryptophan_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 10 "L-Tryptophan_nacetyl_i001_c001" Treating input CT 11 "L-Phenylalanine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 11 "L-Phenylalanine_nacetyl_i001_c001" Treating input CT 12 "L-Tyrosine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 12 "L-Tyrosine_nacetyl_i001_c001" Treating input CT 13 "L-Cysteine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 13 "L-Cysteine_nacetyl_i001_c001" Treating input CT 14 "L-Leucine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 14 "L-Leucine_nacetyl_i001_c001" Treating input CT 15 "D-Alanine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 15 "D-Alanine_nacetyl_i001_c001" Treating input CT 16 "L-Histidine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 16 "L-Histidine_nacetyl_i001_c001" Treating input CT 17 "L-Proline_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 17 "L-Proline_nacetyl_i001_c001" Treating input CT 18 "L-Proline_nacetyl_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 18 "L-Proline_nacetyl_i001_c002" Treating input CT 19 "L-Proline_nacetyl_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 19 "L-Proline_nacetyl_i001_c003" Treating input CT 20 "L-Proline_nacetyl_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 20 "L-Proline_nacetyl_i001_c004" Treating input CT 21 "L-Proline_nacetyl_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 21 "L-Proline_nacetyl_i001_c005" Treating input CT 22 "L-Proline_nacetyl_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 22 "L-Proline_nacetyl_i001_c006" Treating input CT 23 "L-Proline_nacetyl_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 23 "L-Proline_nacetyl_i001_c007" Treating input CT 24 "L-Proline_nacetyl_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 24 "L-Proline_nacetyl_i001_c008" Treating input CT 25 "L-Asparagine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 25 "L-Asparagine_nacetyl_i001_c001" Treating input CT 26 "L-Valine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 26 "L-Valine_nacetyl_i001_c001" Treating input CT 27 "L-Threonine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 27 "L-Threonine_nacetyl_i001_c001" Treating input CT 28 "D-GlutamicAcid_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 28 "D-GlutamicAcid_nacetyl_i001_c001" Treating input CT 29 "D-AsparticAcid_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 29 "D-AsparticAcid_nacetyl_i001_c001" Treating input CT 30 "L-Isoleucine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 30 "L-Isoleucine_nacetyl_i001_c001" Treating input CT 31 "D-Tryptophan_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 31 "D-Tryptophan_nacetyl_i001_c001" Treating input CT 32 "D-Lysine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 32 "D-Lysine_nacetyl_i001_c001" Treating input CT 33 "D-Serine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 33 "D-Serine_nacetyl_i001_c001" Treating input CT 34 "D-Proline_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 34 "D-Proline_nacetyl_i001_c001" Treating input CT 35 "D-Proline_nacetyl_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 35 "D-Proline_nacetyl_i001_c002" Treating input CT 36 "D-Proline_nacetyl_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 36 "D-Proline_nacetyl_i001_c003" Treating input CT 37 "D-Proline_nacetyl_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 37 "D-Proline_nacetyl_i001_c004" Treating input CT 38 "D-Proline_nacetyl_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 38 "D-Proline_nacetyl_i001_c005" Treating input CT 39 "D-Proline_nacetyl_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 39 "D-Proline_nacetyl_i001_c006" Treating input CT 40 "D-Proline_nacetyl_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 40 "D-Proline_nacetyl_i001_c007" Treating input CT 41 "D-Proline_nacetyl_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 41 "D-Proline_nacetyl_i001_c008" Treating input CT 42 "D-Arginine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 42 "D-Arginine_nacetyl_i001_c001" Treating input CT 43 "D-Cysteine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 43 "D-Cysteine_nacetyl_i001_c001" Treating input CT 44 "D-Glutamine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 44 "D-Glutamine_nacetyl_i001_c001" Treating input CT 45 "D-Threonine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 45 "D-Threonine_nacetyl_i001_c001" Treating input CT 46 "D-Methionine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 46 "D-Methionine_nacetyl_i001_c001" Treating input CT 47 "D-Leucine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 47 "D-Leucine_nacetyl_i001_c001" Treating input CT 48 "D-Asparagine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 48 "D-Asparagine_nacetyl_i001_c001" Treating input CT 49 "D-Phenylalanine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 49 "D-Phenylalanine_nacetyl_i001_c001" Treating input CT 50 "D-Valine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 50 "D-Valine_nacetyl_i001_c001" Treating input CT 51 "D-Isoleucine_nacetyl_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 51 "D-Isoleucine_nacetyl_i001_c001" Treating input CT 52 "D-Histidine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 52 "D-Histidine_nacetyl_i001_c001" Treating input CT 53 "D-Tyrosine_nacetyl_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 53 "D-Tyrosine_nacetyl_i001_c001" Treating input CT 54 "L-Lysine_nacetyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 54 "L-Lysine_nacetyl_1_i001_c001" Treating input CT 55 "D-Lysine_nacetyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 55 "D-Lysine_nacetyl_1_i001_c001" Treating input CT 56 "L-GlutamicAcid_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 56 "L-GlutamicAcid_nsuccinyl_1_i001_c001" Treating input CT 57 "Glycine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 57 "Glycine_nsuccinyl_1_i001_c001" Treating input CT 58 "L-Alanine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 58 "L-Alanine_nsuccinyl_1_i001_c001" Treating input CT 59 "L-Lysine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 59 "L-Lysine_nsuccinyl_1_i001_c001" Treating input CT 60 "L-AsparticAcid_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 60 "L-AsparticAcid_nsuccinyl_1_i001_c001" Treating input CT 61 "L-Arginine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 61 "L-Arginine_nsuccinyl_1_i001_c001" Treating input CT 62 "L-Glutamine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 62 "L-Glutamine_nsuccinyl_1_i001_c001" Treating input CT 63 "L-Serine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 63 "L-Serine_nsuccinyl_1_i001_c001" Treating input CT 64 "L-Methionine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 64 "L-Methionine_nsuccinyl_1_i001_c001" Treating input CT 65 "L-Tryptophan_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 65 "L-Tryptophan_nsuccinyl_1_i001_c001" Treating input CT 66 "L-Phenylalanine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 66 "L-Phenylalanine_nsuccinyl_1_i001_c001" Treating input CT 67 "L-Tyrosine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 67 "L-Tyrosine_nsuccinyl_1_i001_c001" Treating input CT 68 "L-Cysteine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 68 "L-Cysteine_nsuccinyl_1_i001_c001" Treating input CT 69 "L-Leucine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 69 "L-Leucine_nsuccinyl_1_i001_c001" Treating input CT 70 "D-Alanine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 70 "D-Alanine_nsuccinyl_1_i001_c001" Treating input CT 71 "L-Histidine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 71 "L-Histidine_nsuccinyl_1_i001_c001" Treating input CT 72 "L-Proline_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 72 "L-Proline_nsuccinyl_1_i001_c001" Treating input CT 73 "L-Proline_nsuccinyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 73 "L-Proline_nsuccinyl_1_i001_c002" Treating input CT 74 "L-Proline_nsuccinyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 74 "L-Proline_nsuccinyl_1_i001_c003" Treating input CT 75 "L-Proline_nsuccinyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 75 "L-Proline_nsuccinyl_1_i001_c004" Treating input CT 76 "L-Proline_nsuccinyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 76 "L-Proline_nsuccinyl_1_i001_c005" Treating input CT 77 "L-Proline_nsuccinyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 77 "L-Proline_nsuccinyl_1_i001_c006" Treating input CT 78 "L-Proline_nsuccinyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 78 "L-Proline_nsuccinyl_1_i001_c007" Treating input CT 79 "L-Proline_nsuccinyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 79 "L-Proline_nsuccinyl_1_i001_c008" Treating input CT 80 "L-Asparagine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 80 "L-Asparagine_nsuccinyl_1_i001_c001" Treating input CT 81 "L-Valine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 81 "L-Valine_nsuccinyl_1_i001_c001" Treating input CT 82 "L-Threonine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 82 "L-Threonine_nsuccinyl_1_i001_c001" Treating input CT 83 "D-GlutamicAcid_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 83 "D-GlutamicAcid_nsuccinyl_1_i001_c001" Treating input CT 84 "D-AsparticAcid_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 84 "D-AsparticAcid_nsuccinyl_1_i001_c001" Treating input CT 85 "L-Isoleucine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 85 "L-Isoleucine_nsuccinyl_1_i001_c001" Treating input CT 86 "D-Tryptophan_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 86 "D-Tryptophan_nsuccinyl_1_i001_c001" Treating input CT 87 "D-Lysine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 87 "D-Lysine_nsuccinyl_1_i001_c001" Treating input CT 88 "D-Serine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 88 "D-Serine_nsuccinyl_1_i001_c001" Treating input CT 89 "D-Proline_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 89 "D-Proline_nsuccinyl_1_i001_c001" Treating input CT 90 "D-Proline_nsuccinyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 90 "D-Proline_nsuccinyl_1_i001_c002" Treating input CT 91 "D-Proline_nsuccinyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 91 "D-Proline_nsuccinyl_1_i001_c003" Treating input CT 92 "D-Proline_nsuccinyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 92 "D-Proline_nsuccinyl_1_i001_c004" Treating input CT 93 "D-Proline_nsuccinyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 93 "D-Proline_nsuccinyl_1_i001_c005" Treating input CT 94 "D-Proline_nsuccinyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 94 "D-Proline_nsuccinyl_1_i001_c006" Treating input CT 95 "D-Proline_nsuccinyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 95 "D-Proline_nsuccinyl_1_i001_c007" Treating input CT 96 "D-Proline_nsuccinyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 96 "D-Proline_nsuccinyl_1_i001_c008" Treating input CT 97 "D-Arginine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 97 "D-Arginine_nsuccinyl_1_i001_c001" Treating input CT 98 "D-Cysteine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 98 "D-Cysteine_nsuccinyl_1_i001_c001" Treating input CT 99 "D-Glutamine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 99 "D-Glutamine_nsuccinyl_1_i001_c001" Treating input CT 100 "D-Threonine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 100 "D-Threonine_nsuccinyl_1_i001_c001" Treating input CT 101 "D-Methionine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 101 "D-Methionine_nsuccinyl_1_i001_c001" Treating input CT 102 "D-Leucine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 102 "D-Leucine_nsuccinyl_1_i001_c001" Treating input CT 103 "D-Asparagine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 103 "D-Asparagine_nsuccinyl_1_i001_c001" Treating input CT 104 "D-Phenylalanine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 104 "D-Phenylalanine_nsuccinyl_1_i001_c001" Treating input CT 105 "D-Valine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 105 "D-Valine_nsuccinyl_1_i001_c001" Treating input CT 106 "D-Isoleucine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 106 "D-Isoleucine_nsuccinyl_1_i001_c001" Treating input CT 107 "D-Histidine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 107 "D-Histidine_nsuccinyl_1_i001_c001" Treating input CT 108 "D-Tyrosine_nsuccinyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 108 "D-Tyrosine_nsuccinyl_1_i001_c001" Treating input CT 109 "L-Lysine_nsuccinyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 109 "L-Lysine_nsuccinyl_2_i001_c001" Treating input CT 110 "D-Lysine_nsuccinyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 110 "D-Lysine_nsuccinyl_2_i001_c001" Treating input CT 111 "L-GlutamicAcid_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 111 "L-GlutamicAcid_nformyl_1_i001_c001" Treating input CT 112 "Glycine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 112 "Glycine_nformyl_1_i001_c001" Treating input CT 113 "L-Alanine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 113 "L-Alanine_nformyl_1_i001_c001" Treating input CT 114 "L-Lysine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 114 "L-Lysine_nformyl_1_i001_c001" Treating input CT 115 "L-AsparticAcid_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 115 "L-AsparticAcid_nformyl_1_i001_c001" Treating input CT 116 "L-Arginine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 116 "L-Arginine_nformyl_1_i001_c001" Treating input CT 117 "L-Glutamine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 117 "L-Glutamine_nformyl_1_i001_c001" Treating input CT 118 "L-Serine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 118 "L-Serine_nformyl_1_i001_c001" Treating input CT 119 "L-Methionine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 119 "L-Methionine_nformyl_1_i001_c001" Treating input CT 120 "L-Tryptophan_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 120 "L-Tryptophan_nformyl_1_i001_c001" Treating input CT 121 "L-Phenylalanine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 121 "L-Phenylalanine_nformyl_1_i001_c001" Treating input CT 122 "L-Tyrosine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 122 "L-Tyrosine_nformyl_1_i001_c001" Treating input CT 123 "L-Cysteine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 123 "L-Cysteine_nformyl_1_i001_c001" Treating input CT 124 "L-Leucine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 124 "L-Leucine_nformyl_1_i001_c001" Treating input CT 125 "D-Alanine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 125 "D-Alanine_nformyl_1_i001_c001" Treating input CT 126 "L-Histidine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 126 "L-Histidine_nformyl_1_i001_c001" Treating input CT 127 "L-Proline_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 127 "L-Proline_nformyl_1_i001_c001" Treating input CT 128 "L-Proline_nformyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 128 "L-Proline_nformyl_1_i001_c002" Treating input CT 129 "L-Proline_nformyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 129 "L-Proline_nformyl_1_i001_c003" Treating input CT 130 "L-Proline_nformyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 130 "L-Proline_nformyl_1_i001_c004" Treating input CT 131 "L-Proline_nformyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 131 "L-Proline_nformyl_1_i001_c005" Treating input CT 132 "L-Proline_nformyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 132 "L-Proline_nformyl_1_i001_c006" Treating input CT 133 "L-Proline_nformyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 133 "L-Proline_nformyl_1_i001_c007" Treating input CT 134 "L-Proline_nformyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 134 "L-Proline_nformyl_1_i001_c008" Treating input CT 135 "L-Asparagine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 135 "L-Asparagine_nformyl_1_i001_c001" Treating input CT 136 "L-Valine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 136 "L-Valine_nformyl_1_i001_c001" Treating input CT 137 "L-Threonine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 137 "L-Threonine_nformyl_1_i001_c001" Treating input CT 138 "D-GlutamicAcid_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 138 "D-GlutamicAcid_nformyl_1_i001_c001" Treating input CT 139 "D-AsparticAcid_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 139 "D-AsparticAcid_nformyl_1_i001_c001" Treating input CT 140 "L-Isoleucine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 140 "L-Isoleucine_nformyl_1_i001_c001" Treating input CT 141 "D-Tryptophan_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 141 "D-Tryptophan_nformyl_1_i001_c001" Treating input CT 142 "D-Lysine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 142 "D-Lysine_nformyl_1_i001_c001" Treating input CT 143 "D-Serine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 143 "D-Serine_nformyl_1_i001_c001" Treating input CT 144 "D-Proline_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 144 "D-Proline_nformyl_1_i001_c001" Treating input CT 145 "D-Proline_nformyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 145 "D-Proline_nformyl_1_i001_c002" Treating input CT 146 "D-Proline_nformyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 146 "D-Proline_nformyl_1_i001_c003" Treating input CT 147 "D-Proline_nformyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 147 "D-Proline_nformyl_1_i001_c004" Treating input CT 148 "D-Proline_nformyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 148 "D-Proline_nformyl_1_i001_c005" Treating input CT 149 "D-Proline_nformyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 149 "D-Proline_nformyl_1_i001_c006" Treating input CT 150 "D-Proline_nformyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 150 "D-Proline_nformyl_1_i001_c007" Treating input CT 151 "D-Proline_nformyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 151 "D-Proline_nformyl_1_i001_c008" Treating input CT 152 "D-Arginine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 152 "D-Arginine_nformyl_1_i001_c001" Treating input CT 153 "D-Cysteine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 153 "D-Cysteine_nformyl_1_i001_c001" Treating input CT 154 "D-Glutamine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 154 "D-Glutamine_nformyl_1_i001_c001" Treating input CT 155 "D-Threonine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 155 "D-Threonine_nformyl_1_i001_c001" Treating input CT 156 "D-Methionine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 156 "D-Methionine_nformyl_1_i001_c001" Treating input CT 157 "D-Leucine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 157 "D-Leucine_nformyl_1_i001_c001" Treating input CT 158 "D-Asparagine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 158 "D-Asparagine_nformyl_1_i001_c001" Treating input CT 159 "D-Phenylalanine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 159 "D-Phenylalanine_nformyl_1_i001_c001" Treating input CT 160 "D-Valine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 160 "D-Valine_nformyl_1_i001_c001" Treating input CT 161 "D-Isoleucine_nformyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 161 "D-Isoleucine_nformyl_1_i001_c001" Treating input CT 162 "D-Histidine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 162 "D-Histidine_nformyl_1_i001_c001" Treating input CT 163 "D-Tyrosine_nformyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 163 "D-Tyrosine_nformyl_1_i001_c001" Treating input CT 164 "L-Lysine_nformyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 164 "L-Lysine_nformyl_2_i001_c001" Treating input CT 165 "D-Lysine_nformyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 165 "D-Lysine_nformyl_2_i001_c001" Treating input CT 166 "L-GlutamicAcid_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 166 "L-GlutamicAcid_ncarbamoyl_1_i001_c001" Treating input CT 167 "Glycine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 167 "Glycine_ncarbamoyl_1_i001_c001" Treating input CT 168 "L-Alanine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 168 "L-Alanine_ncarbamoyl_1_i001_c001" Treating input CT 169 "L-Lysine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 169 "L-Lysine_ncarbamoyl_1_i001_c001" Treating input CT 170 "L-AsparticAcid_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 170 "L-AsparticAcid_ncarbamoyl_1_i001_c001" Treating input CT 171 "L-Arginine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 171 "L-Arginine_ncarbamoyl_1_i001_c001" Treating input CT 172 "L-Glutamine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 172 "L-Glutamine_ncarbamoyl_1_i001_c001" Treating input CT 173 "L-Serine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 173 "L-Serine_ncarbamoyl_1_i001_c001" Treating input CT 174 "L-Methionine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 174 "L-Methionine_ncarbamoyl_1_i001_c001" Treating input CT 175 "L-Tryptophan_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 175 "L-Tryptophan_ncarbamoyl_1_i001_c001" Treating input CT 176 "L-Phenylalanine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 176 "L-Phenylalanine_ncarbamoyl_1_i001_c001" Treating input CT 177 "L-Tyrosine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 177 "L-Tyrosine_ncarbamoyl_1_i001_c001" Treating input CT 178 "L-Cysteine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 178 "L-Cysteine_ncarbamoyl_1_i001_c001" Treating input CT 179 "L-Leucine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 179 "L-Leucine_ncarbamoyl_1_i001_c001" Treating input CT 180 "D-Alanine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 180 "D-Alanine_ncarbamoyl_1_i001_c001" Treating input CT 181 "L-Histidine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 181 "L-Histidine_ncarbamoyl_1_i001_c001" Treating input CT 182 "L-Proline_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 182 "L-Proline_ncarbamoyl_1_i001_c001" Treating input CT 183 "L-Proline_ncarbamoyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 183 "L-Proline_ncarbamoyl_1_i001_c002" Treating input CT 184 "L-Proline_ncarbamoyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 184 "L-Proline_ncarbamoyl_1_i001_c003" Treating input CT 185 "L-Proline_ncarbamoyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 185 "L-Proline_ncarbamoyl_1_i001_c004" Treating input CT 186 "L-Proline_ncarbamoyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 186 "L-Proline_ncarbamoyl_1_i001_c005" Treating input CT 187 "L-Proline_ncarbamoyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 187 "L-Proline_ncarbamoyl_1_i001_c006" Treating input CT 188 "L-Proline_ncarbamoyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 188 "L-Proline_ncarbamoyl_1_i001_c007" Treating input CT 189 "L-Proline_ncarbamoyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 189 "L-Proline_ncarbamoyl_1_i001_c008" Treating input CT 190 "L-Asparagine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 190 "L-Asparagine_ncarbamoyl_1_i001_c001" Treating input CT 191 "L-Valine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 191 "L-Valine_ncarbamoyl_1_i001_c001" Treating input CT 192 "L-Threonine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 192 "L-Threonine_ncarbamoyl_1_i001_c001" Treating input CT 193 "D-GlutamicAcid_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 193 "D-GlutamicAcid_ncarbamoyl_1_i001_c001" Treating input CT 194 "D-AsparticAcid_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 194 "D-AsparticAcid_ncarbamoyl_1_i001_c001" Treating input CT 195 "L-Isoleucine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 195 "L-Isoleucine_ncarbamoyl_1_i001_c001" Treating input CT 196 "D-Tryptophan_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 196 "D-Tryptophan_ncarbamoyl_1_i001_c001" Treating input CT 197 "D-Lysine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 197 "D-Lysine_ncarbamoyl_1_i001_c001" Treating input CT 198 "D-Serine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 198 "D-Serine_ncarbamoyl_1_i001_c001" Treating input CT 199 "D-Proline_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 199 "D-Proline_ncarbamoyl_1_i001_c001" Treating input CT 200 "D-Proline_ncarbamoyl_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 200 "D-Proline_ncarbamoyl_1_i001_c002" Treating input CT 201 "D-Proline_ncarbamoyl_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 201 "D-Proline_ncarbamoyl_1_i001_c003" Treating input CT 202 "D-Proline_ncarbamoyl_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 202 "D-Proline_ncarbamoyl_1_i001_c004" Treating input CT 203 "D-Proline_ncarbamoyl_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 203 "D-Proline_ncarbamoyl_1_i001_c005" Treating input CT 204 "D-Proline_ncarbamoyl_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 204 "D-Proline_ncarbamoyl_1_i001_c006" Treating input CT 205 "D-Proline_ncarbamoyl_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 205 "D-Proline_ncarbamoyl_1_i001_c007" Treating input CT 206 "D-Proline_ncarbamoyl_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 206 "D-Proline_ncarbamoyl_1_i001_c008" Treating input CT 207 "D-Arginine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 207 "D-Arginine_ncarbamoyl_1_i001_c001" Treating input CT 208 "D-Cysteine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 208 "D-Cysteine_ncarbamoyl_1_i001_c001" Treating input CT 209 "D-Glutamine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 209 "D-Glutamine_ncarbamoyl_1_i001_c001" Treating input CT 210 "D-Threonine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 210 "D-Threonine_ncarbamoyl_1_i001_c001" Treating input CT 211 "D-Methionine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 211 "D-Methionine_ncarbamoyl_1_i001_c001" Treating input CT 212 "D-Leucine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 212 "D-Leucine_ncarbamoyl_1_i001_c001" Treating input CT 213 "D-Asparagine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 213 "D-Asparagine_ncarbamoyl_1_i001_c001" Treating input CT 214 "D-Phenylalanine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 214 "D-Phenylalanine_ncarbamoyl_1_i001_c001" Treating input CT 215 "D-Valine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 215 "D-Valine_ncarbamoyl_1_i001_c001" Treating input CT 216 "D-Isoleucine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 216 "D-Isoleucine_ncarbamoyl_1_i001_c001" Treating input CT 217 "D-Histidine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 217 "D-Histidine_ncarbamoyl_1_i001_c001" Treating input CT 218 "D-Tyrosine_ncarbamoyl_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 218 "D-Tyrosine_ncarbamoyl_1_i001_c001" Treating input CT 219 "L-Lysine_ncarbamoyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 219 "L-Lysine_ncarbamoyl_2_i001_c001" Treating input CT 220 "D-Lysine_ncarbamoyl_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 220 "D-Lysine_ncarbamoyl_2_i001_c001" Treating input CT 221 "L-GlutamicAcid_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 221 "L-GlutamicAcid_nformimino_1_i001_c001" Treating input CT 222 "Glycine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 222 "Glycine_nformimino_1_i001_c001" Treating input CT 223 "L-Alanine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 223 "L-Alanine_nformimino_1_i001_c001" Treating input CT 224 "L-Lysine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 224 "L-Lysine_nformimino_1_i001_c001" Treating input CT 225 "L-AsparticAcid_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 225 "L-AsparticAcid_nformimino_1_i001_c001" Treating input CT 226 "L-Arginine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 226 "L-Arginine_nformimino_1_i001_c001" Treating input CT 227 "L-Glutamine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 227 "L-Glutamine_nformimino_1_i001_c001" Treating input CT 228 "L-Serine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 228 "L-Serine_nformimino_1_i001_c001" Treating input CT 229 "L-Methionine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 229 "L-Methionine_nformimino_1_i001_c001" Treating input CT 230 "L-Tryptophan_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 230 "L-Tryptophan_nformimino_1_i001_c001" Treating input CT 231 "L-Phenylalanine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 231 "L-Phenylalanine_nformimino_1_i001_c001" Treating input CT 232 "L-Tyrosine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 232 "L-Tyrosine_nformimino_1_i001_c001" Treating input CT 233 "L-Cysteine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 233 "L-Cysteine_nformimino_1_i001_c001" Treating input CT 234 "L-Leucine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 234 "L-Leucine_nformimino_1_i001_c001" Treating input CT 235 "D-Alanine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 235 "D-Alanine_nformimino_1_i001_c001" Treating input CT 236 "L-Histidine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 236 "L-Histidine_nformimino_1_i001_c001" Treating input CT 237 "L-Proline_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 237 "L-Proline_nformimino_1_i001_c001" Treating input CT 238 "L-Proline_nformimino_1_i001_c002" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 238 "L-Proline_nformimino_1_i001_c002" Treating input CT 239 "L-Proline_nformimino_1_i001_c003" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 239 "L-Proline_nformimino_1_i001_c003" Treating input CT 240 "L-Proline_nformimino_1_i001_c004" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 240 "L-Proline_nformimino_1_i001_c004" Treating input CT 241 "L-Proline_nformimino_1_i001_c005" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 241 "L-Proline_nformimino_1_i001_c005" Treating input CT 242 "L-Proline_nformimino_1_i001_c006" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 242 "L-Proline_nformimino_1_i001_c006" Treating input CT 243 "L-Proline_nformimino_1_i001_c007" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 243 "L-Proline_nformimino_1_i001_c007" Treating input CT 244 "L-Proline_nformimino_1_i001_c008" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 244 "L-Proline_nformimino_1_i001_c008" Treating input CT 245 "L-Asparagine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 245 "L-Asparagine_nformimino_1_i001_c001" Treating input CT 246 "L-Valine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 246 "L-Valine_nformimino_1_i001_c001" Treating input CT 247 "L-Threonine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 247 "L-Threonine_nformimino_1_i001_c001" Treating input CT 248 "D-GlutamicAcid_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 248 "D-GlutamicAcid_nformimino_1_i001_c001" Treating input CT 249 "D-AsparticAcid_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 249 "D-AsparticAcid_nformimino_1_i001_c001" Treating input CT 250 "L-Isoleucine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 250 "L-Isoleucine_nformimino_1_i001_c001" Treating input CT 251 "D-Tryptophan_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 251 "D-Tryptophan_nformimino_1_i001_c001" Treating input CT 252 "D-Lysine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 252 "D-Lysine_nformimino_1_i001_c001" Treating input CT 253 "D-Serine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 253 "D-Serine_nformimino_1_i001_c001" Treating input CT 254 "D-Proline_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 254 "D-Proline_nformimino_1_i001_c001" Treating input CT 255 "D-Proline_nformimino_1_i001_c002" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 255 "D-Proline_nformimino_1_i001_c002" Treating input CT 256 "D-Proline_nformimino_1_i001_c003" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 256 "D-Proline_nformimino_1_i001_c003" Treating input CT 257 "D-Proline_nformimino_1_i001_c004" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 257 "D-Proline_nformimino_1_i001_c004" Treating input CT 258 "D-Proline_nformimino_1_i001_c005" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 258 "D-Proline_nformimino_1_i001_c005" Treating input CT 259 "D-Proline_nformimino_1_i001_c006" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 259 "D-Proline_nformimino_1_i001_c006" Treating input CT 260 "D-Proline_nformimino_1_i001_c007" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 260 "D-Proline_nformimino_1_i001_c007" Treating input CT 261 "D-Proline_nformimino_1_i001_c008" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 261 "D-Proline_nformimino_1_i001_c008" Treating input CT 262 "D-Proline_nformimino_1_i001_c009" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 262 "D-Proline_nformimino_1_i001_c009" Treating input CT 263 "D-Arginine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 263 "D-Arginine_nformimino_1_i001_c001" Treating input CT 264 "D-Cysteine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 264 "D-Cysteine_nformimino_1_i001_c001" Treating input CT 265 "D-Glutamine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 265 "D-Glutamine_nformimino_1_i001_c001" Treating input CT 266 "D-Threonine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 266 "D-Threonine_nformimino_1_i001_c001" Treating input CT 267 "D-Methionine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 267 "D-Methionine_nformimino_1_i001_c001" Treating input CT 268 "D-Leucine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 268 "D-Leucine_nformimino_1_i001_c001" Treating input CT 269 "D-Asparagine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 269 "D-Asparagine_nformimino_1_i001_c001" Treating input CT 270 "D-Phenylalanine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 270 "D-Phenylalanine_nformimino_1_i001_c001" Treating input CT 271 "D-Valine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 271 "D-Valine_nformimino_1_i001_c001" Treating input CT 272 "D-Isoleucine_nformimino_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 272 "D-Isoleucine_nformimino_1_i001_c001" Treating input CT 273 "D-Histidine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 273 "D-Histidine_nformimino_1_i001_c001" Treating input CT 274 "D-Tyrosine_nformimino_1_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 274 "D-Tyrosine_nformimino_1_i001_c001" Treating input CT 275 "L-Lysine_nformimino_2_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 275 "L-Lysine_nformimino_2_i001_c001" Treating input CT 276 "D-Lysine_nformimino_2_i001_c001" Total candidate ionization centers: 3 Maximum possible ionization states: 8 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 276 "D-Lysine_nformimino_2_i001_c001" Treating input CT 277 "L-GlutamicAcid_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 277 "L-GlutamicAcid_hydantoin_1_i001_c001" Treating input CT 278 "Glycine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 278 "Glycine_hydantoin_1_i001_c001" Treating input CT 279 "L-Alanine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 279 "L-Alanine_hydantoin_1_i001_c001" Treating input CT 280 "L-Lysine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 280 "L-Lysine_hydantoin_1_i001_c001" Treating input CT 281 "L-AsparticAcid_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 281 "L-AsparticAcid_hydantoin_1_i001_c001" Treating input CT 282 "L-Arginine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 282 "L-Arginine_hydantoin_1_i001_c001" Treating input CT 283 "L-Glutamine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 283 "L-Glutamine_hydantoin_1_i001_c001" Treating input CT 284 "L-Serine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 284 "L-Serine_hydantoin_1_i001_c001" Treating input CT 285 "L-Methionine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 285 "L-Methionine_hydantoin_1_i001_c001" Treating input CT 286 "L-Tryptophan_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 286 "L-Tryptophan_hydantoin_1_i001_c001" Treating input CT 287 "L-Phenylalanine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 287 "L-Phenylalanine_hydantoin_1_i001_c001" Treating input CT 288 "L-Tyrosine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 288 "L-Tyrosine_hydantoin_1_i001_c001" Treating input CT 289 "L-Cysteine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 289 "L-Cysteine_hydantoin_1_i001_c001" Treating input CT 290 "L-Leucine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 290 "L-Leucine_hydantoin_1_i001_c001" Treating input CT 291 "D-Alanine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 291 "D-Alanine_hydantoin_1_i001_c001" Treating input CT 292 "L-Histidine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 292 "L-Histidine_hydantoin_1_i001_c001" Treating input CT 293 "L-Proline_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 293 "L-Proline_hydantoin_1_i001_c001" Treating input CT 294 "L-Proline_hydantoin_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 294 "L-Proline_hydantoin_1_i001_c002" Treating input CT 295 "L-Proline_hydantoin_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 295 "L-Proline_hydantoin_1_i001_c003" Treating input CT 296 "L-Proline_hydantoin_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 296 "L-Proline_hydantoin_1_i001_c004" Treating input CT 297 "L-Proline_hydantoin_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 297 "L-Proline_hydantoin_1_i001_c005" Treating input CT 298 "L-Proline_hydantoin_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 298 "L-Proline_hydantoin_1_i001_c006" Treating input CT 299 "L-Proline_hydantoin_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 299 "L-Proline_hydantoin_1_i001_c007" Treating input CT 300 "L-Proline_hydantoin_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 300 "L-Proline_hydantoin_1_i001_c008" Treating input CT 301 "L-Proline_hydantoin_1_i001_c009" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 301 "L-Proline_hydantoin_1_i001_c009" Treating input CT 302 "L-Proline_hydantoin_1_i001_c010" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 302 "L-Proline_hydantoin_1_i001_c010" Treating input CT 303 "L-Proline_hydantoin_1_i001_c011" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 303 "L-Proline_hydantoin_1_i001_c011" Treating input CT 304 "L-Proline_hydantoin_1_i001_c012" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 304 "L-Proline_hydantoin_1_i001_c012" Treating input CT 305 "L-Proline_hydantoin_1_i001_c013" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 305 "L-Proline_hydantoin_1_i001_c013" Treating input CT 306 "L-Proline_hydantoin_1_i001_c014" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 306 "L-Proline_hydantoin_1_i001_c014" Treating input CT 307 "L-Asparagine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 307 "L-Asparagine_hydantoin_1_i001_c001" Treating input CT 308 "L-Valine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 308 "L-Valine_hydantoin_1_i001_c001" Treating input CT 309 "L-Threonine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 309 "L-Threonine_hydantoin_1_i001_c001" Treating input CT 310 "D-GlutamicAcid_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 310 "D-GlutamicAcid_hydantoin_1_i001_c001" Treating input CT 311 "D-AsparticAcid_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 311 "D-AsparticAcid_hydantoin_1_i001_c001" Treating input CT 312 "L-Isoleucine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 312 "L-Isoleucine_hydantoin_1_i001_c001" Treating input CT 313 "D-Tryptophan_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 313 "D-Tryptophan_hydantoin_1_i001_c001" Treating input CT 314 "D-Lysine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 314 "D-Lysine_hydantoin_1_i001_c001" Treating input CT 315 "D-Serine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 315 "D-Serine_hydantoin_1_i001_c001" Treating input CT 316 "D-Proline_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 316 "D-Proline_hydantoin_1_i001_c001" Treating input CT 317 "D-Proline_hydantoin_1_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 317 "D-Proline_hydantoin_1_i001_c002" Treating input CT 318 "D-Proline_hydantoin_1_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 318 "D-Proline_hydantoin_1_i001_c003" Treating input CT 319 "D-Proline_hydantoin_1_i001_c004" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 319 "D-Proline_hydantoin_1_i001_c004" Treating input CT 320 "D-Proline_hydantoin_1_i001_c005" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 320 "D-Proline_hydantoin_1_i001_c005" Treating input CT 321 "D-Proline_hydantoin_1_i001_c006" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 321 "D-Proline_hydantoin_1_i001_c006" Treating input CT 322 "D-Proline_hydantoin_1_i001_c007" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 322 "D-Proline_hydantoin_1_i001_c007" Treating input CT 323 "D-Proline_hydantoin_1_i001_c008" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 323 "D-Proline_hydantoin_1_i001_c008" Treating input CT 324 "D-Proline_hydantoin_1_i001_c009" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 324 "D-Proline_hydantoin_1_i001_c009" Treating input CT 325 "D-Proline_hydantoin_1_i001_c010" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 325 "D-Proline_hydantoin_1_i001_c010" Treating input CT 326 "D-Proline_hydantoin_1_i001_c011" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 326 "D-Proline_hydantoin_1_i001_c011" Treating input CT 327 "D-Proline_hydantoin_1_i001_c012" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 327 "D-Proline_hydantoin_1_i001_c012" Treating input CT 328 "D-Proline_hydantoin_1_i001_c013" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 328 "D-Proline_hydantoin_1_i001_c013" Treating input CT 329 "D-Proline_hydantoin_1_i001_c014" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 329 "D-Proline_hydantoin_1_i001_c014" Treating input CT 330 "D-Proline_hydantoin_1_i001_c015" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 330 "D-Proline_hydantoin_1_i001_c015" Treating input CT 331 "D-Arginine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 331 "D-Arginine_hydantoin_1_i001_c001" Treating input CT 332 "D-Cysteine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 332 "D-Cysteine_hydantoin_1_i001_c001" Treating input CT 333 "D-Glutamine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 333 "D-Glutamine_hydantoin_1_i001_c001" Treating input CT 334 "D-Threonine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 334 "D-Threonine_hydantoin_1_i001_c001" Treating input CT 335 "D-Methionine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 335 "D-Methionine_hydantoin_1_i001_c001" Treating input CT 336 "D-Leucine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 336 "D-Leucine_hydantoin_1_i001_c001" Treating input CT 337 "D-Asparagine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 337 "D-Asparagine_hydantoin_1_i001_c001" Treating input CT 338 "D-Phenylalanine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 338 "D-Phenylalanine_hydantoin_1_i001_c001" Treating input CT 339 "D-Valine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 339 "D-Valine_hydantoin_1_i001_c001" Treating input CT 340 "D-Isoleucine_hydantoin_1_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 340 "D-Isoleucine_hydantoin_1_i001_c001" Treating input CT 341 "D-Histidine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 341 "D-Histidine_hydantoin_1_i001_c001" Treating input CT 342 "D-Tyrosine_hydantoin_1_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 342 "D-Tyrosine_hydantoin_1_i001_c001" Treating input CT 343 "L-Lysine_hydantoin_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 343 "L-Lysine_hydantoin_2_i001_c001" Treating input CT 344 "D-Lysine_hydantoin_2_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 344 "D-Lysine_hydantoin_2_i001_c001" Input structures treated: 344 Output structures written: 356 Size of output file "g_create_derivatives_corina_ionizer.mae" is 2269035 bytes Bad input structures skipped over: 0