Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini -i f_p_in_en_ln_corina.mae -l f_p_in_en_ln_corina_ionizer.log -b f_p_in_en_ln_corina_ionizer_bad.mae -o f_p_in_en_ln_corina_ionizer.mae

Ionizable group spec file used:
/raid1/people/joha/PETC/PYTHON/DB/ionizer_tiOH_exclude.ini

Treating input CT 1 "ZINC01715306_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 1 "ZINC01715306_1_i001_c001"

Treating input CT 2 "ZINC01715306_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 2 "ZINC01715306_3_i001_c001"

Treating input CT 3 "ZINC03176987_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 3 "ZINC03176987_1_i001_c001"

Treating input CT 4 "ZINC03176987_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 4 "ZINC03176987_3_i001_c001"

Treating input CT 5 "ZINC03176987_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 5 "ZINC03176987_5_i001_c001"

Treating input CT 6 "ZINC03176987_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 6 "ZINC03176987_7_i001_c001"

Treating input CT 7 "ZINC03177003_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 7 "ZINC03177003_1_i001_c001"

Treating input CT 8 "ZINC03177003_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 8 "ZINC03177003_3_i001_c001"

Treating input CT 9 "ZINC01719972_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 9 "ZINC01719972_1_i001_c001"

Treating input CT 10 "ZINC01719972_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 10 "ZINC01719972_3_i001_c001"

Treating input CT 11 "ZINC01719972_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 11 "ZINC01719972_5_i001_c001"

Treating input CT 12 "ZINC01719972_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 12 "ZINC01719972_7_i001_c001"

Treating input CT 13 "ZINC01730989_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 13 "ZINC01730989_1_i001_c001"

Treating input CT 14 "ZINC01730989_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 14 "ZINC01730989_3_i001_c001"

Treating input CT 15 "ZINC01871769_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 15 "ZINC01871769_1_i001_c001"

Treating input CT 16 "ZINC01871769_3_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 16 "ZINC01871769_3_i001_c001"

Treating input CT 17 "ZINC02770218_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 17 "ZINC02770218_1_i001_c001"

Treating input CT 18 "ZINC02770218_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 18 "ZINC02770218_3_i001_c001"

Treating input CT 19 "ZINC02567000_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 19 "ZINC02567000_1_i001_c001"

Treating input CT 20 "ZINC02567000_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 20 "ZINC02567000_3_i001_c001"

Treating input CT 21 "ZINC01779658_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 21 "ZINC01779658_1_i001_c001"

Treating input CT 22 "ZINC01779658_3_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 22 "ZINC01779658_3_i001_c001"

Treating input CT 23 "ZINC01730989_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 23 "ZINC01730989_5_i001_c001"

Treating input CT 24 "ZINC01730989_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 24 "ZINC01730989_7_i001_c001"

Treating input CT 25 "ZINC01854761_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 25 "ZINC01854761_1_i001_c001"

Treating input CT 26 "ZINC01854761_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 26 "ZINC01854761_3_i001_c001"

Treating input CT 27 "ZINC02317188_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 27 "ZINC02317188_1_i001_c001"

Treating input CT 28 "ZINC02317188_3_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 28 "ZINC02317188_3_i001_c001"

Treating input CT 29 "ZINC03125963_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 29 "ZINC03125963_1_i001_c001"

Treating input CT 30 "ZINC03125963_3_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 "ZINC03125963_3_i001_c001"

Treating input CT 31 "ZINC02256941_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 31 "ZINC02256941_1_i001_c001"

Treating input CT 32 "ZINC02256941_3_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 32 "ZINC02256941_3_i001_c001"

Treating input CT 33 "ZINC03063505_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 33 "ZINC03063505_1_i001_c001"

Treating input CT 34 "ZINC03063505_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 34 "ZINC03063505_3_i001_c001"

Treating input CT 35 "ZINC02557585_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 35 "ZINC02557585_1_i001_c001"

Treating input CT 36 "ZINC02557585_3_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 36 "ZINC02557585_3_i001_c001"

Treating input CT 37 "ZINC01550109_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 37 "ZINC01550109_1_i001_c001"

Treating input CT 38 "ZINC03176985_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 38 "ZINC03176985_1_i001_c001"

Treating input CT 39 "ZINC03176985_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 39 "ZINC03176985_3_i001_c001"

Treating input CT 40 "ZINC03172295_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 40 "ZINC03172295_1_i001_c001"

Treating input CT 41 "ZINC03172295_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 41 "ZINC03172295_3_i001_c001"

Treating input CT 42 "ZINC02557587_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 42 "ZINC02557587_1_i001_c001"

Treating input CT 43 "ZINC02557587_3_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 43 "ZINC02557587_3_i001_c001"

Treating input CT 44 "ZINC03181330_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 44 "ZINC03181330_1_i001_c001"

Treating input CT 45 "ZINC01543425_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 45 "ZINC01543425_1_i001_c001"

Treating input CT 46 "ZINC01543425_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 46 "ZINC01543425_1_i001_c002"

Treating input CT 47 "ZINC01543425_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 47 "ZINC01543425_1_i001_c003"

Treating input CT 48 "ZINC01543425_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 48 "ZINC01543425_1_i001_c004"

Treating input CT 49 "ZINC01543425_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 49 "ZINC01543425_1_i001_c005"

Treating input CT 50 "ZINC01543425_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 50 "ZINC01543425_1_i001_c006"

Treating input CT 51 "ZINC01543425_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 51 "ZINC01543425_1_i001_c007"

Treating input CT 52 "ZINC01543425_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 52 "ZINC01543425_3_i001_c001"

Treating input CT 53 "ZINC01543425_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 53 "ZINC01543425_3_i001_c002"

Treating input CT 54 "ZINC01543425_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 54 "ZINC01543425_3_i001_c003"

Treating input CT 55 "ZINC01543425_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 55 "ZINC01543425_3_i001_c004"

Treating input CT 56 "ZINC01543425_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 56 "ZINC01543425_3_i001_c005"

Treating input CT 57 "ZINC01543425_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 57 "ZINC01543425_3_i001_c006"

Treating input CT 58 "ZINC01543425_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 58 "ZINC01543425_3_i001_c007"

Treating input CT 59 "ZINC03149623_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 59 "ZINC03149623_1_i001_c001"

Treating input CT 60 "ZINC03149623_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 60 "ZINC03149623_3_i001_c001"

Treating input CT 61 "ZINC03164318_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 61 "ZINC03164318_1_i001_c001"

Treating input CT 62 "ZINC03164318_3_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 "ZINC03164318_3_i001_c001"

Treating input CT 63 "ZINC03177001_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 63 "ZINC03177001_1_i001_c001"

Treating input CT 64 "ZINC03177001_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 64 "ZINC03177001_3_i001_c001"

Treating input CT 65 "ZINC03177001_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 65 "ZINC03177001_5_i001_c001"

Treating input CT 66 "ZINC03177001_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 66 "ZINC03177001_7_i001_c001"

Treating input CT 67 "ZINC03063507_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 67 "ZINC03063507_1_i001_c001"

Treating input CT 68 "ZINC03063507_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 68 "ZINC03063507_3_i001_c001"

Treating input CT 69 "ZINC03176995_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 69 "ZINC03176995_1_i001_c001"

Treating input CT 70 "ZINC03176995_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 70 "ZINC03176995_3_i001_c001"

Treating input CT 71 "ZINC03207035_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 71 "ZINC03207035_1_i001_c001"

Treating input CT 72 "ZINC03207035_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 72 "ZINC03207035_3_i001_c001"

Treating input CT 73 "ZINC03207035_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 73 "ZINC03207035_5_i001_c001"

Treating input CT 74 "ZINC03207035_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 74 "ZINC03207035_7_i001_c001"

Treating input CT 75 "ZINC03176995_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 75 "ZINC03176995_5_i001_c001"

Treating input CT 76 "ZINC03176995_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 76 "ZINC03176995_7_i001_c001"

Treating input CT 77 "ZINC02809918_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 77 "ZINC02809918_1_i001_c001"

Treating input CT 78 "ZINC02809918_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 78 "ZINC02809918_3_i001_c001"

Treating input CT 79 "ZINC01621972_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 79 "ZINC01621972_1_i001_c001"

Treating input CT 80 "ZINC03207033_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 80 "ZINC03207033_1_i001_c001"

Treating input CT 81 "ZINC03207033_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 81 "ZINC03207033_3_i001_c001"

Treating input CT 82 "ZINC01533559_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 82 "ZINC01533559_1_i001_c001"

Treating input CT 83 "ZINC03176992_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 83 "ZINC03176992_1_i001_c001"

Treating input CT 84 "ZINC03176992_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 84 "ZINC03176992_3_i001_c001"

Treating input CT 85 "ZINC03063502_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 85 "ZINC03063502_1_i001_c001"

Treating input CT 86 "ZINC03063502_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 86 "ZINC03063502_3_i001_c001"

Treating input CT 87 "ZINC02288072_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 87 "ZINC02288072_1_i001_c001"

Treating input CT 88 "ZINC03176992_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 88 "ZINC03176992_5_i001_c001"

Treating input CT 89 "ZINC03176992_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 89 "ZINC03176992_7_i001_c001"

Treating input CT 90 "ZINC02880459_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 90 "ZINC02880459_1_i001_c001"

Treating input CT 91 "ZINC02228162_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 91 "ZINC02228162_1_i001_c001"

Treating input CT 92 "ZINC02228162_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 92 "ZINC02228162_3_i001_c001"

Treating input CT 93 "ZINC03172227_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 93 "ZINC03172227_1_i001_c001"

Treating input CT 94 "ZINC03172227_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 94 "ZINC03172227_3_i001_c001"

Treating input CT 95 "ZINC02316878_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 95 "ZINC02316878_1_i001_c001"

Treating input CT 96 "ZINC02316878_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 96 "ZINC02316878_3_i001_c001"

Treating input CT 97 "ZINC03172243_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 97 "ZINC03172243_1_i001_c001"

Treating input CT 98 "ZINC03172243_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 98 "ZINC03172243_3_i001_c001"

Treating input CT 99 "ZINC02270556_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 "ZINC02270556_1_i001_c001"

Treating input CT 100 "ZINC02270556_3_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 "ZINC02270556_3_i001_c001"

Treating input CT 101 "ZINC02316878_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 101 "ZINC02316878_5_i001_c001"

Treating input CT 102 "ZINC02316878_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 102 "ZINC02316878_7_i001_c001"

Treating input CT 103 "ZINC03177010_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 103 "ZINC03177010_1_i001_c001"

Treating input CT 104 "ZINC03177010_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 104 "ZINC03177010_3_i001_c001"

Treating input CT 105 "ZINC02303533_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 105 "ZINC02303533_1_i001_c001"

Treating input CT 106 "ZINC03177010_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 106 "ZINC03177010_5_i001_c001"

Treating input CT 107 "ZINC03177010_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 107 "ZINC03177010_7_i001_c001"

Treating input CT 108 "ZINC02257335_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 108 "ZINC02257335_1_i001_c001"

Treating input CT 109 "ZINC02257335_3_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 109 "ZINC02257335_3_i001_c001"

Treating input CT 110 "ZINC03121652_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 110 "ZINC03121652_1_i001_c001"

Treating input CT 111 "ZINC03121652_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 111 "ZINC03121652_3_i001_c001"

Treating input CT 112 "ZINC03176990_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 112 "ZINC03176990_1_i001_c001"

Treating input CT 113 "ZINC03176990_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 113 "ZINC03176990_3_i001_c001"

Treating input CT 114 "ZINC03176990_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 114 "ZINC03176990_5_i001_c001"

Treating input CT 115 "ZINC03176990_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 115 "ZINC03176990_7_i001_c001"

Treating input CT 116 "ZINC02308822_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 116 "ZINC02308822_1_i001_c001"

Treating input CT 117 "ZINC02308822_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 117 "ZINC02308822_3_i001_c001"

Treating input CT 118 "ZINC02293456_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 118 "ZINC02293456_1_i001_c001"

Treating input CT 119 "ZINC01715303_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 119 "ZINC01715303_1_i001_c001"

Treating input CT 120 "ZINC01715303_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 120 "ZINC01715303_3_i001_c001"

Treating input CT 121 "ZINC01439630_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 121 "ZINC01439630_1_i001_c001"

Treating input CT 122 "ZINC03226000_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 122 "ZINC03226000_1_i001_c001"

Treating input CT 123 "ZINC03226000_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 123 "ZINC03226000_3_i001_c001"

Treating input CT 124 "ZINC03176989_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 124 "ZINC03176989_1_i001_c001"

Treating input CT 125 "ZINC03176989_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 125 "ZINC03176989_3_i001_c001"

Treating input CT 126 "ZINC03164316_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 126 "ZINC03164316_1_i001_c001"

Treating input CT 127 "ZINC03164316_3_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 "ZINC03164316_3_i001_c001"

Treating input CT 128 "ZINC03172231_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 128 "ZINC03172231_1_i001_c001"

Treating input CT 129 "ZINC03172231_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 129 "ZINC03172231_3_i001_c001"

Treating input CT 130 "ZINC03176989_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 130 "ZINC03176989_5_i001_c001"

Treating input CT 131 "ZINC03176989_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 131 "ZINC03176989_7_i001_c001"

Treating input CT 132 "ZINC01864590_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 132 "ZINC01864590_1_i001_c001"

Treating input CT 133 "ZINC02300340_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 133 "ZINC02300340_1_i001_c001"

Treating input CT 134 "ZINC02300340_3_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 134 "ZINC02300340_3_i001_c001"

Treating input CT 135 "ZINC02345227_3_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 "ZINC02345227_3_i001_c001"

Treating input CT 136 "ZINC03177012_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 136 "ZINC03177012_1_i001_c001"

Treating input CT 137 "ZINC03177012_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 137 "ZINC03177012_3_i001_c001"

Treating input CT 138 "ZINC03177003_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 138 "ZINC03177003_5_i001_c001"

Treating input CT 139 "ZINC03177003_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 139 "ZINC03177003_7_i001_c001"

Treating input CT 140 "ZINC03177012_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 140 "ZINC03177012_5_i001_c001"

Treating input CT 141 "ZINC03177012_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 141 "ZINC03177012_7_i001_c001"

Treating input CT 142 "ZINC02770217_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 142 "ZINC02770217_1_i001_c001"

Treating input CT 143 "ZINC02770217_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 143 "ZINC02770217_3_i001_c001"

Treating input CT 144 "ZINC01757451_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 144 "ZINC01757451_1_i001_c001"

Treating input CT 145 "ZINC03177097_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 145 "ZINC03177097_1_i001_c001"

Treating input CT 146 "ZINC03177097_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 146 "ZINC03177097_3_i001_c001"

Treating input CT 147 "ZINC01665836_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 147 "ZINC01665836_1_i001_c001"

Treating input CT 148 "ZINC01665836_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 148 "ZINC01665836_3_i001_c001"

Treating input CT 149 "ZINC02391236_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 149 "ZINC02391236_1_i001_c001"

Treating input CT 150 "ZINC02391236_3_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 150 "ZINC02391236_3_i001_c001"

Treating input CT 151 "ZINC02963818_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 151 "ZINC02963818_1_i001_c001"

Treating input CT 152 "ZINC02963818_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 152 "ZINC02963818_3_i001_c001"

Treating input CT 153 "ZINC03172291_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 153 "ZINC03172291_1_i001_c001"

Treating input CT 154 "ZINC03172291_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 154 "ZINC03172291_3_i001_c001"

Treating input CT 155 "ZINC02522552_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 155 "ZINC02522552_1_i001_c001"

Treating input CT 156 "ZINC02963818_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 156 "ZINC02963818_5_i001_c001"

Treating input CT 157 "ZINC02963818_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 157 "ZINC02963818_7_i001_c001"

Treating input CT 158 "ZINC01550106_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 "ZINC01550106_1_i001_c001"

Treating input CT 159 "ZINC02566999_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 "ZINC02566999_1_i001_c001"

Treating input CT 160 "ZINC02566999_3_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 "ZINC02566999_3_i001_c001"

Treating input CT 161 "ZINC01445016_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 161 "ZINC01445016_1_i001_c001"

Treating input CT 162 "ZINC03176999_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 162 "ZINC03176999_1_i001_c001"

Treating input CT 163 "ZINC03176999_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 163 "ZINC03176999_3_i001_c001"

Treating input CT 164 "ZINC02009975_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 164 "ZINC02009975_1_i001_c001"

Treating input CT 165 "ZINC02009975_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 165 "ZINC02009975_3_i001_c001"

Treating input CT 166 "ZINC02009975_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 166 "ZINC02009975_5_i001_c001"

Treating input CT 167 "ZINC02009975_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 167 "ZINC02009975_7_i001_c001"

Treating input CT 168 "ZINC02019271_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 168 "ZINC02019271_1_i001_c001"

Treating input CT 169 "ZINC02014279_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 169 "ZINC02014279_1_i001_c001"

Treating input CT 170 "ZINC02014279_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 170 "ZINC02014279_3_i001_c001"

Treating input CT 171 "ZINC01910226_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 171 "ZINC01910226_1_i001_c001"

Treating input CT 172 "ZINC02014279_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 172 "ZINC02014279_5_i001_c001"

Treating input CT 173 "ZINC02014279_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 173 "ZINC02014279_7_i001_c001"

Treating input CT 174 "ZINC01715304_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 "ZINC01715304_1_i001_c001"

Treating input CT 175 "ZINC01715304_3_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 "ZINC01715304_3_i001_c001"

Treating input CT 176 "ZINC03149624_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 176 "ZINC03149624_1_i001_c001"

Treating input CT 177 "ZINC03149624_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 177 "ZINC03149624_3_i001_c001"

Treating input CT 178 "ZINC01550105_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 178 "ZINC01550105_1_i001_c001"

Treating input CT 179 "ZINC03164941_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 179 "ZINC03164941_1_i001_c001"

Treating input CT 180 "ZINC03164941_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 180 "ZINC03164941_3_i001_c001"

Treating input CT 181 "ZINC02009974_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 181 "ZINC02009974_1_i001_c001"

Treating input CT 182 "ZINC02009974_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 182 "ZINC02009974_3_i001_c001"

Treating input CT 183 "ZINC02009974_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 183 "ZINC02009974_5_i001_c001"

Treating input CT 184 "ZINC02009974_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 184 "ZINC02009974_7_i001_c001"

Treating input CT 185 "ZINC03176994_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 185 "ZINC03176994_1_i001_c001"

Treating input CT 186 "ZINC03176994_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 186 "ZINC03176994_3_i001_c001"

Treating input CT 187 "ZINC03176994_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 187 "ZINC03176994_5_i001_c001"

Treating input CT 188 "ZINC03176994_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 188 "ZINC03176994_7_i001_c001"

Treating input CT 189 "ZINC01543429_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 189 "ZINC01543429_1_i001_c001"

Treating input CT 190 "ZINC01543429_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 190 "ZINC01543429_1_i001_c002"

Treating input CT 191 "ZINC01543429_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 191 "ZINC01543429_1_i001_c003"

Treating input CT 192 "ZINC01543429_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 192 "ZINC01543429_1_i001_c004"

Treating input CT 193 "ZINC01543429_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 193 "ZINC01543429_1_i001_c005"

Treating input CT 194 "ZINC01543429_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 194 "ZINC01543429_1_i001_c006"

Treating input CT 195 "ZINC01543429_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 195 "ZINC01543429_1_i001_c007"

Treating input CT 196 "ZINC01543429_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 196 "ZINC01543429_1_i001_c008"

Treating input CT 197 "ZINC01543429_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 197 "ZINC01543429_3_i001_c001"

Treating input CT 198 "ZINC01543429_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 198 "ZINC01543429_3_i001_c002"

Treating input CT 199 "ZINC01543429_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 199 "ZINC01543429_3_i001_c003"

Treating input CT 200 "ZINC01543429_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 200 "ZINC01543429_3_i001_c004"

Treating input CT 201 "ZINC01543429_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 201 "ZINC01543429_3_i001_c005"

Treating input CT 202 "ZINC01543429_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 202 "ZINC01543429_3_i001_c006"

Treating input CT 203 "ZINC01543429_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 203 "ZINC01543429_3_i001_c007"

Treating input CT 204 "ZINC01543429_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 204 "ZINC01543429_3_i001_c008"

Treating input CT 205 "ZINC02355196_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 205 "ZINC02355196_1_i001_c001"

Treating input CT 206 "ZINC01546339_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 206 "ZINC01546339_1_i001_c001"

Treating input CT 207 "ZINC03166460_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 207 "ZINC03166460_1_i001_c001"

Treating input CT 208 "ZINC03166460_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 208 "ZINC03166460_3_i001_c001"

Treating input CT 209 "ZINC02557606_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 209 "ZINC02557606_1_i001_c001"

Treating input CT 210 "ZINC02557606_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 210 "ZINC02557606_3_i001_c001"

Treating input CT 211 "ZINC03177068_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 211 "ZINC03177068_1_i001_c001"

Treating input CT 212 "ZINC01851537_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 212 "ZINC01851537_1_i001_c001"

Treating input CT 213 "ZINC01719974_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 213 "ZINC01719974_1_i001_c001"

Treating input CT 214 "ZINC01719974_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 214 "ZINC01719974_3_i001_c001"

Treating input CT 215 "ZINC02274850_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 "ZINC02274850_1_i001_c001"

Treating input CT 216 "ZINC02274850_3_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 "ZINC02274850_3_i001_c001"

Treating input CT 217 "ZINC01719974_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 217 "ZINC01719974_5_i001_c001"

Treating input CT 218 "ZINC01719974_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 218 "ZINC01719974_7_i001_c001"

Treating input CT 219 "ZINC03172229_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 219 "ZINC03172229_1_i001_c001"

Treating input CT 220 "ZINC03172229_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 220 "ZINC03172229_3_i001_c001"

Treating input CT 221 "ZINC02270557_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 221 "ZINC02270557_1_i001_c001"

Treating input CT 222 "ZINC02270557_3_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 222 "ZINC02270557_3_i001_c001"

Treating input CT 223 "ZINC02022307_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 223 "ZINC02022307_1_i001_c001"

Treating input CT 224 "ZINC02022307_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 224 "ZINC02022307_3_i001_c001"

Treating input CT 225 "ZINC01728619_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 225 "ZINC01728619_1_i001_c001"

Treating input CT 226 "ZINC02727382_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 226 "ZINC02727382_1_i001_c001"

Treating input CT 227 "ZINC02727382_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 227 "ZINC02727382_3_i001_c001"

Treating input CT 228 "ZINC02237818_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 228 "ZINC02237818_1_i001_c001"

Treating input CT 229 "ZINC02557604_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 229 "ZINC02557604_1_i001_c001"

Treating input CT 230 "ZINC02557604_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 230 "ZINC02557604_3_i001_c001"

Treating input CT 231 "ZINC02379597_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 231 "ZINC02379597_1_i001_c001"

Treating input CT 232 "ZINC02379597_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 232 "ZINC02379597_3_i001_c001"

Treating input CT 233 "ZINC02300339_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 233 "ZINC02300339_1_i001_c001"

Treating input CT 234 "ZINC02300339_3_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 234 "ZINC02300339_3_i001_c001"

Treating input CT 235 "ZINC01697684_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 235 "ZINC01697684_1_i001_c001"

Treating input CT 236 "ZINC01697684_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 236 "ZINC01697684_3_i001_c001"

Treating input CT 237 "ZINC03226002_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 237 "ZINC03226002_1_i001_c001"

Treating input CT 238 "ZINC01543428_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 238 "ZINC01543428_1_i001_c001"

Treating input CT 239 "ZINC01543428_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 239 "ZINC01543428_1_i001_c002"

Treating input CT 240 "ZINC01543428_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 240 "ZINC01543428_1_i001_c003"

Treating input CT 241 "ZINC01543428_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 241 "ZINC01543428_1_i001_c004"

Treating input CT 242 "ZINC01543428_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 242 "ZINC01543428_1_i001_c005"

Treating input CT 243 "ZINC01543428_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 243 "ZINC01543428_1_i001_c006"

Treating input CT 244 "ZINC01543428_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 244 "ZINC01543428_1_i001_c007"

Treating input CT 245 "ZINC01543428_1_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 245 "ZINC01543428_1_i001_c008"

Treating input CT 246 "ZINC01543428_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 246 "ZINC01543428_3_i001_c001"

Treating input CT 247 "ZINC01543428_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 247 "ZINC01543428_3_i001_c002"

Treating input CT 248 "ZINC01543428_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 248 "ZINC01543428_3_i001_c003"

Treating input CT 249 "ZINC01543428_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 249 "ZINC01543428_3_i001_c004"

Treating input CT 250 "ZINC01543428_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 250 "ZINC01543428_3_i001_c005"

Treating input CT 251 "ZINC01543428_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 251 "ZINC01543428_3_i001_c006"

Treating input CT 252 "ZINC01543428_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 252 "ZINC01543428_3_i001_c007"

Treating input CT 253 "ZINC01543428_3_i001_c008"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 253 "ZINC01543428_3_i001_c008"

Treating input CT 254 "ZINC02180546_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 254 "ZINC02180546_1_i001_c001"

Treating input CT 255 "ZINC02180546_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 255 "ZINC02180546_3_i001_c001"

Treating input CT 256 "ZINC03176999_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 256 "ZINC03176999_5_i001_c001"

Treating input CT 257 "ZINC03176999_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 257 "ZINC03176999_7_i001_c001"

Treating input CT 258 "ZINC01603233_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 258 "ZINC01603233_1_i001_c001"

Treating input CT 259 "ZINC01603233_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 259 "ZINC01603233_3_i001_c001"

Treating input CT 260 "ZINC01538361_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 260 "ZINC01538361_1_i001_c001"

Treating input CT 261 "ZINC01538361_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 261 "ZINC01538361_3_i001_c001"

Treating input CT 262 "ZINC03149625_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 262 "ZINC03149625_1_i001_c001"

Treating input CT 263 "ZINC03149625_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 263 "ZINC03149625_3_i001_c001"

Treating input CT 264 "ZINC03172241_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 264 "ZINC03172241_1_i001_c001"

Treating input CT 265 "ZINC03172241_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 265 "ZINC03172241_3_i001_c001"

Treating input CT 266 "ZINC02015924_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 266 "ZINC02015924_1_i001_c001"

Treating input CT 267 "ZINC02015924_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 267 "ZINC02015924_3_i001_c001"

Treating input CT 268 "ZINC03149623_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 268 "ZINC03149623_5_i001_c001"

Treating input CT 269 "ZINC03149623_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 269 "ZINC03149623_7_i001_c001"

Treating input CT 270 "ZINC03166455_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 270 "ZINC03166455_1_i001_c001"

Treating input CT 271 "ZINC03166455_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 271 "ZINC03166455_3_i001_c001"

Treating input CT 272 "ZINC01565401_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 272 "ZINC01565401_1_i001_c001"

Treating input CT 273 "ZINC01565401_3_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 273 "ZINC01565401_3_i001_c001"

Treating input CT 274 "ZINC01550110_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 274 "ZINC01550110_1_i001_c001"

Treating input CT 275 "ZINC02216215_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 275 "ZINC02216215_1_i001_c001"

Treating input CT 276 "ZINC01603232_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 276 "ZINC01603232_1_i001_c001"

Treating input CT 277 "ZINC01603232_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 277 "ZINC01603232_3_i001_c001"

Treating input CT 278 "ZINC03149625_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 278 "ZINC03149625_5_i001_c001"

Treating input CT 279 "ZINC03149625_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 279 "ZINC03149625_7_i001_c001"

Treating input CT 280 "ZINC02317129_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 280 "ZINC02317129_1_i001_c001"

Treating input CT 281 "ZINC02317129_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 281 "ZINC02317129_3_i001_c001"

Treating input CT 282 "ZINC03177008_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 282 "ZINC03177008_1_i001_c001"

Treating input CT 283 "ZINC03177008_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 283 "ZINC03177008_3_i001_c001"

Treating input CT 284 "ZINC02860285_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 284 "ZINC02860285_1_i001_c001"

Treating input CT 285 "ZINC02860285_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 285 "ZINC02860285_3_i001_c001"

Treating input CT 286 "ZINC03177008_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 286 "ZINC03177008_5_i001_c001"

Treating input CT 287 "ZINC03177008_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 287 "ZINC03177008_7_i001_c001"

Treating input CT 288 "ZINC03181309_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 288 "ZINC03181309_1_i001_c001"

Treating input CT 289 "ZINC01823243_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 289 "ZINC01823243_1_i001_c001"

Treating input CT 290 "ZINC01823243_3_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 "ZINC01823243_3_i001_c001"

Treating input CT 291 "ZINC01603464_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 291 "ZINC01603464_1_i001_c001"

Treating input CT 292 "ZINC01603464_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 292 "ZINC01603464_3_i001_c001"

Treating input CT 293 "ZINC01550107_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 "ZINC01550107_1_i001_c001"

Treating input CT 294 "ZINC02248736_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 294 "ZINC02248736_1_i001_c001"

Treating input CT 295 "ZINC01715333_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 295 "ZINC01715333_1_i001_c001"

Treating input CT 296 "ZINC01715333_3_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 296 "ZINC01715333_3_i001_c001"

Treating input CT 297 "ZINC02508344_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 297 "ZINC02508344_1_i001_c001"

Treating input CT 298 "ZINC02508344_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 298 "ZINC02508344_3_i001_c001"

Treating input CT 299 "ZINC03177097_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 299 "ZINC03177097_5_i001_c001"

Treating input CT 300 "ZINC03177097_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 300 "ZINC03177097_7_i001_c001"

Treating input CT 301 "ZINC02006875_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 301 "ZINC02006875_1_i001_c001"

Treating input CT 302 "ZINC02006875_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 302 "ZINC02006875_3_i001_c001"

Treating input CT 303 "ZINC03106169_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 303 "ZINC03106169_1_i001_c001"

Treating input CT 304 "ZINC01730984_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 304 "ZINC01730984_1_i001_c001"

Treating input CT 305 "ZINC01730984_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 305 "ZINC01730984_3_i001_c001"

Treating input CT 306 "ZINC01596969_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 306 "ZINC01596969_1_i001_c001"

Treating input CT 307 "ZINC01596969_3_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 "ZINC01596969_3_i001_c001"

Treating input CT 308 "ZINC01234530_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 308 "ZINC01234530_1_i001_c001"

Treating input CT 309 "ZINC02300342_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 "ZINC02300342_1_i001_c001"

Treating input CT 310 "ZINC02300342_3_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 310 "ZINC02300342_3_i001_c001"

Treating input CT 311 "ZINC01533557_1_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 311 "ZINC01533557_1_i001_c001"

Treating input CT 312 "ZINC01533557_3_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 312 "ZINC01533557_3_i001_c001"

Treating input CT 313 "ZINC02003713_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 313 "ZINC02003713_1_i001_c001"

Treating input CT 314 "ZINC02274851_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 314 "ZINC02274851_1_i001_c001"

Treating input CT 315 "ZINC02274851_3_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 "ZINC02274851_3_i001_c001"

Treating input CT 316 "ZINC01653812_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 "ZINC01653812_1_i001_c001"

Treating input CT 317 "ZINC01653812_3_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 317 "ZINC01653812_3_i001_c001"

Treating input CT 318 "ZINC02963820_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 318 "ZINC02963820_1_i001_c001"

Treating input CT 319 "ZINC02963820_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 319 "ZINC02963820_3_i001_c001"

Treating input CT 320 "ZINC03218412_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 320 "ZINC03218412_1_i001_c001"

Treating input CT 321 "ZINC03218412_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 321 "ZINC03218412_3_i001_c001"

Treating input CT 322 "ZINC03181315_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 322 "ZINC03181315_1_i001_c001"

Treating input CT 323 "ZINC03218413_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 323 "ZINC03218413_1_i001_c001"

Treating input CT 324 "ZINC03218413_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 324 "ZINC03218413_3_i001_c001"

Treating input CT 325 "ZINC03218413_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 325 "ZINC03218413_5_i001_c001"

Treating input CT 326 "ZINC03218413_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 326 "ZINC03218413_7_i001_c001"

Treating input CT 327 "ZINC02256940_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 327 "ZINC02256940_1_i001_c001"

Treating input CT 328 "ZINC02256940_3_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 328 "ZINC02256940_3_i001_c001"

Treating input CT 329 "ZINC03177009_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 329 "ZINC03177009_1_i001_c001"

Treating input CT 330 "ZINC03177009_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 330 "ZINC03177009_3_i001_c001"

Treating input CT 331 "ZINC03177009_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 331 "ZINC03177009_5_i001_c001"

Treating input CT 332 "ZINC03177009_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 332 "ZINC03177009_7_i001_c001"

Treating input CT 333 "ZINC01643468_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 333 "ZINC01643468_1_i001_c001"

Treating input CT 334 "ZINC01643468_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 334 "ZINC01643468_3_i001_c001"

Treating input CT 335 "ZINC02379598_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 335 "ZINC02379598_1_i001_c001"

Treating input CT 336 "ZINC02379598_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 336 "ZINC02379598_3_i001_c001"

Treating input CT 337 "ZINC01621981_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 337 "ZINC01621981_1_i001_c001"

Treating input CT 338 "ZINC01621981_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 338 "ZINC01621981_3_i001_c001"

Treating input CT 339 "ZINC01863957_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 339 "ZINC01863957_1_i001_c001"

Treating input CT 340 "ZINC01845539_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 340 "ZINC01845539_1_i001_c001"

Treating input CT 341 "ZINC02569597_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 341 "ZINC02569597_1_i001_c001"

Treating input CT 342 "ZINC02569597_3_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 342 "ZINC02569597_3_i001_c001"

Treating input CT 343 "ZINC03177004_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 343 "ZINC03177004_1_i001_c001"

Treating input CT 344 "ZINC03177004_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 344 "ZINC03177004_3_i001_c001"

Treating input CT 345 "ZINC03125964_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 345 "ZINC03125964_1_i001_c001"

Treating input CT 346 "ZINC03125964_3_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 346 "ZINC03125964_3_i001_c001"

Treating input CT 347 "ZINC01719954_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 347 "ZINC01719954_1_i001_c001"

Treating input CT 348 "ZINC01719954_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 348 "ZINC01719954_3_i001_c001"

Treating input CT 349 "ZINC01719954_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 349 "ZINC01719954_5_i001_c001"

Treating input CT 350 "ZINC01719954_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 350 "ZINC01719954_7_i001_c001"

Treating input CT 351 "ZINC02036471_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 351 "ZINC02036471_1_i001_c001"

Treating input CT 352 "ZINC02036471_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 352 "ZINC02036471_3_i001_c001"

Treating input CT 353 "ZINC02316879_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 353 "ZINC02316879_1_i001_c001"

Treating input CT 354 "ZINC02316879_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 354 "ZINC02316879_3_i001_c001"

Treating input CT 355 "ZINC02316879_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 355 "ZINC02316879_5_i001_c001"

Treating input CT 356 "ZINC02316879_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 356 "ZINC02316879_7_i001_c001"

Treating input CT 357 "ZINC02963820_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 357 "ZINC02963820_5_i001_c001"

Treating input CT 358 "ZINC02963820_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 358 "ZINC02963820_7_i001_c001"

Treating input CT 359 "ZINC02303506_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 359 "ZINC02303506_1_i001_c001"

Treating input CT 360 "ZINC01730984_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 360 "ZINC01730984_5_i001_c001"

Treating input CT 361 "ZINC01730984_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 361 "ZINC01730984_7_i001_c001"

Treating input CT 362 "ZINC03177096_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 362 "ZINC03177096_1_i001_c001"

Treating input CT 363 "ZINC03177096_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 363 "ZINC03177096_3_i001_c001"

Treating input CT 364 "ZINC01543423_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 364 "ZINC01543423_1_i001_c001"

Treating input CT 365 "ZINC01543423_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 365 "ZINC01543423_1_i001_c002"

Treating input CT 366 "ZINC01543423_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 366 "ZINC01543423_1_i001_c003"

Treating input CT 367 "ZINC01543423_1_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 367 "ZINC01543423_1_i001_c004"

Treating input CT 368 "ZINC01543423_1_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 368 "ZINC01543423_1_i001_c005"

Treating input CT 369 "ZINC01543423_1_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 369 "ZINC01543423_1_i001_c006"

Treating input CT 370 "ZINC01543423_1_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 370 "ZINC01543423_1_i001_c007"

Treating input CT 371 "ZINC01543423_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 371 "ZINC01543423_3_i001_c001"

Treating input CT 372 "ZINC01543423_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 372 "ZINC01543423_3_i001_c002"

Treating input CT 373 "ZINC01543423_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 373 "ZINC01543423_3_i001_c003"

Treating input CT 374 "ZINC01543423_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 374 "ZINC01543423_3_i001_c004"

Treating input CT 375 "ZINC01543423_3_i001_c005"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 375 "ZINC01543423_3_i001_c005"

Treating input CT 376 "ZINC01543423_3_i001_c006"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 376 "ZINC01543423_3_i001_c006"

Treating input CT 377 "ZINC01543423_3_i001_c007"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 377 "ZINC01543423_3_i001_c007"

Treating input CT 378 "ZINC01715305_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 378 "ZINC01715305_1_i001_c001"

Treating input CT 379 "ZINC01715305_3_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 379 "ZINC01715305_3_i001_c001"

Treating input CT 380 "ZINC01603464_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 380 "ZINC01603464_5_i001_c001"

Treating input CT 381 "ZINC01603464_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 381 "ZINC01603464_7_i001_c001"

Treating input CT 382 "ZINC03177004_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 382 "ZINC03177004_5_i001_c001"

Treating input CT 383 "ZINC03177004_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 383 "ZINC03177004_7_i001_c001"

Treating input CT 384 "ZINC01574112_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 384 "ZINC01574112_1_i001_c001"

Treating input CT 385 "ZINC01574112_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 385 "ZINC01574112_3_i001_c001"

Treating input CT 386 "ZINC02164568_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 386 "ZINC02164568_1_i001_c001"

Treating input CT 387 "ZINC02164568_3_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 387 "ZINC02164568_3_i001_c001"

Treating input CT 388 "ZINC01779663_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 388 "ZINC01779663_1_i001_c001"

Treating input CT 389 "ZINC01779663_3_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 389 "ZINC01779663_3_i001_c001"

Treating input CT 390 "ZINC01839542_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 390 "ZINC01839542_1_i001_c001"

Treating input CT 391 "ZINC01839542_3_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 391 "ZINC01839542_3_i001_c001"

Treating input CT 392 "ZINC03172273_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 392 "ZINC03172273_1_i001_c001"

Treating input CT 393 "ZINC03172273_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 393 "ZINC03172273_3_i001_c001"

Treating input CT 394 "ZINC02180548_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 394 "ZINC02180548_1_i001_c001"

Treating input CT 395 "ZINC02180548_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 395 "ZINC02180548_3_i001_c001"

Treating input CT 396 "ZINC02345226_3_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 396 "ZINC02345226_3_i001_c001"

Treating input CT 397 "ZINC01737310_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 397 "ZINC01737310_1_i001_c001"

Treating input CT 398 "ZINC01737310_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 398 "ZINC01737310_3_i001_c001"

Treating input CT 399 "ZINC03149624_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 399 "ZINC03149624_5_i001_c001"

Treating input CT 400 "ZINC03149624_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 400 "ZINC03149624_7_i001_c001"

Treating input CT 401 "ZINC01550108_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 401 "ZINC01550108_1_i001_c001"

Treating input CT 402 "ZINC02308822_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 402 "ZINC02308822_5_i001_c001"

Treating input CT 403 "ZINC02308822_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 403 "ZINC02308822_7_i001_c001"

Treating input CT 404 "ZINC01533557_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 404 "ZINC01533557_5_i001_c001"

Treating input CT 405 "ZINC01533557_7_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 2 output CTs (after restrictions imposed)
Finished input CT 405 "ZINC01533557_7_i001_c001"

Treating input CT 406 "ZINC01730988_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 406 "ZINC01730988_1_i001_c001"

Treating input CT 407 "ZINC01730988_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 407 "ZINC01730988_3_i001_c001"

Treating input CT 408 "ZINC03193289_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 408 "ZINC03193289_1_i001_c001"

Treating input CT 409 "ZINC03193289_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 409 "ZINC03193289_3_i001_c001"

Treating input CT 410 "ZINC02036471_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 410 "ZINC02036471_5_i001_c001"

Treating input CT 411 "ZINC02036471_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 411 "ZINC02036471_7_i001_c001"

Treating input CT 412 "ZINC01730988_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 412 "ZINC01730988_5_i001_c001"

Treating input CT 413 "ZINC01730988_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 413 "ZINC01730988_7_i001_c001"

Treating input CT 414 "ZINC01737519_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 414 "ZINC01737519_1_i001_c001"

Treating input CT 415 "ZINC01737519_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 415 "ZINC01737519_3_i001_c001"

Treating input CT 416 "ZINC03166456_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 416 "ZINC03166456_1_i001_c001"

Treating input CT 417 "ZINC03166456_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 417 "ZINC03166456_3_i001_c001"

Treating input CT 418 "ZINC01550233_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 418 "ZINC01550233_1_i001_c001"

Treating input CT 419 "ZINC01550233_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 419 "ZINC01550233_3_i001_c001"

Treating input CT 420 "ZINC02317189_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 420 "ZINC02317189_1_i001_c001"

Treating input CT 421 "ZINC02317189_3_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 421 "ZINC02317189_3_i001_c001"

Treating input CT 422 "ZINC01719923_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 422 "ZINC01719923_1_i001_c001"

Treating input CT 423 "ZINC01719923_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 423 "ZINC01719923_3_i001_c001"

Treating input CT 424 "ZINC01550231_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 424 "ZINC01550231_1_i001_c001"

Treating input CT 425 "ZINC01550231_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 425 "ZINC01550231_3_i001_c001"

Treating input CT 426 "ZINC01719923_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 426 "ZINC01719923_5_i001_c001"

Treating input CT 427 "ZINC01719923_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 427 "ZINC01719923_7_i001_c001"

Treating input CT 428 "ZINC02022307_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 428 "ZINC02022307_5_i001_c001"

Treating input CT 429 "ZINC02022307_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 429 "ZINC02022307_7_i001_c001"

Treating input CT 430 "ZINC02305594_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 430 "ZINC02305594_1_i001_c001"

Treating input CT 431 "ZINC01854760_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 431 "ZINC01854760_1_i001_c001"

Treating input CT 432 "ZINC01854760_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 432 "ZINC01854760_3_i001_c001"

Treating input CT 433 "ZINC03164323_3_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 433 "ZINC03164323_3_i001_c001"

Treating input CT 434 "ZINC02507347_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 434 "ZINC02507347_1_i001_c001"

Treating input CT 435 "ZINC02507347_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 435 "ZINC02507347_3_i001_c001"

Treating input CT 436 "ZINC03149622_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 436 "ZINC03149622_1_i001_c001"

Treating input CT 437 "ZINC03149622_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 437 "ZINC03149622_3_i001_c001"

Treating input CT 438 "ZINC03121653_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 438 "ZINC03121653_1_i001_c001"

Treating input CT 439 "ZINC03121653_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 439 "ZINC03121653_3_i001_c001"

Treating input CT 440 "ZINC02507349_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 440 "ZINC02507349_1_i001_c001"

Treating input CT 441 "ZINC02507349_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 441 "ZINC02507349_3_i001_c001"

Treating input CT 442 "ZINC01543426_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 442 "ZINC01543426_1_i001_c001"

Treating input CT 443 "ZINC01543426_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 443 "ZINC01543426_1_i001_c002"

Treating input CT 444 "ZINC01543426_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 444 "ZINC01543426_1_i001_c003"

Treating input CT 445 "ZINC01543426_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 445 "ZINC01543426_3_i001_c001"

Treating input CT 446 "ZINC01543426_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 446 "ZINC01543426_3_i001_c002"

Treating input CT 447 "ZINC01543426_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 447 "ZINC01543426_3_i001_c003"

Treating input CT 448 "ZINC01543426_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 448 "ZINC01543426_3_i001_c004"

Treating input CT 449 "ZINC03164321_3_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 449 "ZINC03164321_3_i001_c001"

Treating input CT 450 "ZINC02306635_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 450 "ZINC02306635_1_i001_c001"

Treating input CT 451 "ZINC03172293_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 451 "ZINC03172293_1_i001_c001"

Treating input CT 452 "ZINC03172293_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 452 "ZINC03172293_3_i001_c001"

Treating input CT 453 "ZINC01603154_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 453 "ZINC01603154_1_i001_c001"

Treating input CT 454 "ZINC01603154_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 454 "ZINC01603154_3_i001_c001"

Treating input CT 455 "ZINC02022739_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 455 "ZINC02022739_1_i001_c001"

Treating input CT 456 "ZINC01439629_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 456 "ZINC01439629_1_i001_c001"

Treating input CT 457 "ZINC01543427_1_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 457 "ZINC01543427_1_i001_c001"

Treating input CT 458 "ZINC01543427_1_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 458 "ZINC01543427_1_i001_c002"

Treating input CT 459 "ZINC01543427_1_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 459 "ZINC01543427_1_i001_c003"

Treating input CT 460 "ZINC01543427_3_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 460 "ZINC01543427_3_i001_c001"

Treating input CT 461 "ZINC01543427_3_i001_c002"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 461 "ZINC01543427_3_i001_c002"

Treating input CT 462 "ZINC01543427_3_i001_c003"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 462 "ZINC01543427_3_i001_c003"

Treating input CT 463 "ZINC01543427_3_i001_c004"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 463 "ZINC01543427_3_i001_c004"

Treating input CT 464 "ZINC01603154_5_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 464 "ZINC01603154_5_i001_c001"

Treating input CT 465 "ZINC01603154_7_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed