Run as: ionizer -i 2 -ph 7 -s ionizer_tiOH_exclude.ini -i c_b_pes_ln_corina.mae -l c_b_pes_ln_corina_ionizer.log -b c_b_pes_ln_corina_ionizer_bad.mae -o c_b_pes_ln_corina_ionizer.mae

Ionizable group spec file used:
/raid4/people/joha/DB2/7_SUBS2SDF/ionizer_tiOH_exclude.ini

Treating input CT 1 "ZINC02031660_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 "ZINC02031660_1_i001_c001"

Treating input CT 2 "ZINC02031660_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 "ZINC02031660_3_i001_c001"

Treating input CT 3 "ZINC02031660_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 3 "ZINC02031660_5_i001_c001"

Treating input CT 4 "ZINC02963472_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 4 "ZINC02963472_1_i001_c001"

Treating input CT 5 "ZINC01692556_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 5 "ZINC01692556_1_i001_c001"

Treating input CT 6 "ZINC01839649_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 6 "ZINC01839649_1_i001_c001"

Treating input CT 7 "ZINC01839649_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 7 "ZINC01839649_3_i001_c001"

Treating input CT 8 "ZINC01839649_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 8 "ZINC01839649_5_i001_c001"

Treating input CT 9 "ZINC01823555_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 "ZINC01823555_1_i001_c001"

Treating input CT 10 "ZINC01823555_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 10 "ZINC01823555_1_i001_c002"

Treating input CT 11 "ZINC01823555_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 11 "ZINC01823555_3_i001_c001"

Treating input CT 12 "ZINC01823555_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 12 "ZINC01823555_3_i001_c002"

Treating input CT 13 "ZINC01823555_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 13 "ZINC01823555_5_i001_c001"

Treating input CT 14 "ZINC01823555_5_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 14 "ZINC01823555_5_i001_c002"

Treating input CT 15 "ZINC03123414_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 15 "ZINC03123414_1_i001_c001"

Treating input CT 16 "ZINC03123414_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 16 "ZINC03123414_3_i001_c001"

Treating input CT 17 "ZINC03123414_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 17 "ZINC03123414_5_i001_c001"

Treating input CT 18 "ZINC03183367_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 18 "ZINC03183367_1_i001_c001"

Treating input CT 19 "ZINC03183367_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 19 "ZINC03183367_3_i001_c001"

Treating input CT 20 "ZINC03183367_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 20 "ZINC03183367_5_i001_c001"

Treating input CT 21 "ZINC01839760_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 21 "ZINC01839760_1_i001_c001"

Treating input CT 22 "ZINC01728473_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 22 "ZINC01728473_1_i001_c001"

Treating input CT 23 "ZINC01728473_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 23 "ZINC01728473_3_i001_c001"

Treating input CT 24 "ZINC01675286_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 24 "ZINC01675286_1_i001_c001"

Treating input CT 25 "ZINC01675286_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 25 "ZINC01675286_3_i001_c001"

Treating input CT 26 "ZINC01675286_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 26 "ZINC01675286_5_i001_c001"

Treating input CT 27 "ZINC02923540_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 27 "ZINC02923540_1_i001_c001"

Treating input CT 28 "ZINC02923540_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 28 "ZINC02923540_1_i001_c002"

Treating input CT 29 "ZINC02923540_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 29 "ZINC02923540_3_i001_c001"

Treating input CT 30 "ZINC02923540_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 30 "ZINC02923540_3_i001_c002"

Treating input CT 31 "ZINC02923540_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 31 "ZINC02923540_5_i001_c001"

Treating input CT 32 "ZINC02923540_5_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 32 "ZINC02923540_5_i001_c002"

Treating input CT 33 "ZINC03203026_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 "ZINC03203026_1_i001_c001"

Treating input CT 34 "ZINC03203026_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 "ZINC03203026_3_i001_c001"

Treating input CT 35 "ZINC03203026_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 35 "ZINC03203026_5_i001_c001"

Treating input CT 36 "ZINC01676189_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 36 "ZINC01676189_1_i001_c001"

Treating input CT 37 "ZINC01676189_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 37 "ZINC01676189_3_i001_c001"

Treating input CT 38 "ZINC01662383_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 "ZINC01662383_1_i001_c001"

Treating input CT 39 "ZINC01594293_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 39 "ZINC01594293_1_i001_c001"

Treating input CT 40 "ZINC03130282_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 "ZINC03130282_1_i001_c001"

Treating input CT 41 "ZINC03130282_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 "ZINC03130282_3_i001_c001"

Treating input CT 42 "ZINC03130282_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 42 "ZINC03130282_5_i001_c001"

Treating input CT 43 "ZINC01803581_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 43 "ZINC01803581_1_i001_c001"

Treating input CT 44 "ZINC01637909_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 "ZINC01637909_1_i001_c001"

Treating input CT 45 "ZINC01998583_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 "ZINC01998583_1_i001_c001"

Treating input CT 46 "ZINC01998583_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 46 "ZINC01998583_3_i001_c001"

Treating input CT 47 "ZINC01637909_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 47 "ZINC01637909_3_i001_c001"

Treating input CT 48 "ZINC01637909_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 48 "ZINC01637909_5_i001_c001"

Treating input CT 49 "ZINC03123392_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 49 "ZINC03123392_1_i001_c001"

Treating input CT 50 "ZINC03123392_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 50 "ZINC03123392_3_i001_c001"

Treating input CT 51 "ZINC03123392_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 51 "ZINC03123392_5_i001_c001"

Treating input CT 52 "ZINC01841143_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 52 "ZINC01841143_1_i001_c001"

Treating input CT 53 "ZINC01841143_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 53 "ZINC01841143_3_i001_c001"

Treating input CT 54 "ZINC01841143_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 54 "ZINC01841143_5_i001_c001"

Treating input CT 55 "ZINC03098704_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 55 "ZINC03098704_1_i001_c001"

Treating input CT 56 "ZINC02505745_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 56 "ZINC02505745_1_i001_c001"

Treating input CT 57 "ZINC02505745_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 57 "ZINC02505745_1_i001_c002"

Treating input CT 58 "ZINC02505745_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 58 "ZINC02505745_1_i001_c003"

Treating input CT 59 "ZINC02505745_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 59 "ZINC02505745_1_i001_c004"

Treating input CT 60 "ZINC02505745_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 60 "ZINC02505745_1_i001_c005"

Treating input CT 61 "ZINC02505745_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 61 "ZINC02505745_1_i001_c006"

Treating input CT 62 "ZINC02505745_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 62 "ZINC02505745_1_i001_c007"

Treating input CT 63 "ZINC02505745_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 63 "ZINC02505745_1_i001_c008"

Treating input CT 64 "ZINC02505745_1_i001_c009"
  Total 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 "ZINC02505745_1_i001_c009"

Treating input CT 65 "ZINC02505745_1_i001_c010"
  Total 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 "ZINC02505745_1_i001_c010"

Treating input CT 66 "ZINC02505745_1_i001_c011"
  Total 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 "ZINC02505745_1_i001_c011"

Treating input CT 67 "ZINC02505745_1_i001_c012"
  Total 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 "ZINC02505745_1_i001_c012"

Treating input CT 68 "ZINC02505745_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 "ZINC02505745_3_i001_c001"

Treating input CT 69 "ZINC02505745_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 69 "ZINC02505745_3_i001_c002"

Treating input CT 70 "ZINC02505745_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 70 "ZINC02505745_3_i001_c003"

Treating input CT 71 "ZINC02505745_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 71 "ZINC02505745_3_i001_c004"

Treating input CT 72 "ZINC02505745_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 72 "ZINC02505745_3_i001_c005"

Treating input CT 73 "ZINC02505745_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 73 "ZINC02505745_3_i001_c006"

Treating input CT 74 "ZINC02505745_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 74 "ZINC02505745_3_i001_c007"

Treating input CT 75 "ZINC02505745_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 75 "ZINC02505745_3_i001_c008"

Treating input CT 76 "ZINC02505745_3_i001_c009"
  Total 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 "ZINC02505745_3_i001_c009"

Treating input CT 77 "ZINC02505745_3_i001_c010"
  Total 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 "ZINC02505745_3_i001_c010"

Treating input CT 78 "ZINC02505745_3_i001_c011"
  Total 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 "ZINC02505745_3_i001_c011"

Treating input CT 79 "ZINC02505745_3_i001_c012"
  Total 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 "ZINC02505745_3_i001_c012"

Treating input CT 80 "ZINC03098704_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 80 "ZINC03098704_3_i001_c001"

Treating input CT 81 "ZINC03098704_5_i001_c001"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 81 "ZINC03098704_5_i001_c001"

Treating input CT 82 "ZINC02199227_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 82 "ZINC02199227_1_i001_c001"

Treating input CT 83 "ZINC02199227_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 83 "ZINC02199227_3_i001_c001"

Treating input CT 84 "ZINC02199227_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 84 "ZINC02199227_5_i001_c001"

Treating input CT 85 "ZINC01867152_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 "ZINC01867152_1_i001_c001"

Treating input CT 86 "ZINC01726404_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 86 "ZINC01726404_1_i001_c001"

Treating input CT 87 "ZINC01726404_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 87 "ZINC01726404_3_i001_c001"

Treating input CT 88 "ZINC01726404_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 "ZINC01726404_5_i001_c001"

Treating input CT 89 "ZINC01843063_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 89 "ZINC01843063_1_i001_c001"

Treating input CT 90 "ZINC01843063_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 90 "ZINC01843063_3_i001_c001"

Treating input CT 91 "ZINC01843063_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 91 "ZINC01843063_5_i001_c001"

Treating input CT 92 "ZINC02034534_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 92 "ZINC02034534_1_i001_c001"

Treating input CT 93 "ZINC02034534_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 93 "ZINC02034534_3_i001_c001"

Treating input CT 94 "ZINC02034534_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 94 "ZINC02034534_5_i001_c001"

Treating input CT 95 "ZINC03122006_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 "ZINC03122006_1_i001_c001"

Treating input CT 96 "ZINC03122006_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 "ZINC03122006_3_i001_c001"

Treating input CT 97 "ZINC03122006_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 97 "ZINC03122006_5_i001_c001"

Treating input CT 98 "ZINC03123401_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 98 "ZINC03123401_1_i001_c001"

Treating input CT 99 "ZINC03123401_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 99 "ZINC03123401_3_i001_c001"

Treating input CT 100 "ZINC03123401_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 100 "ZINC03123401_5_i001_c001"

Treating input CT 101 "ZINC01675796_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 101 "ZINC01675796_1_i001_c001"

Treating input CT 102 "ZINC01675796_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 102 "ZINC01675796_3_i001_c001"

Treating input CT 103 "ZINC01867138_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 "ZINC01867138_1_i001_c001"

Treating input CT 104 "ZINC01867138_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 104 "ZINC01867138_1_i001_c002"

Treating input CT 105 "ZINC01852089_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 "ZINC01852089_1_i001_c001"

Treating input CT 106 "ZINC01852089_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 106 "ZINC01852089_3_i001_c001"

Treating input CT 107 "ZINC01675796_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 107 "ZINC01675796_5_i001_c001"

Treating input CT 108 "ZINC02037784_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 108 "ZINC02037784_1_i001_c001"

Treating input CT 109 "ZINC02037784_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 109 "ZINC02037784_3_i001_c001"

Treating input CT 110 "ZINC02037784_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 110 "ZINC02037784_5_i001_c001"

Treating input CT 111 "ZINC02029060_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 111 "ZINC02029060_1_i001_c001"

Treating input CT 112 "ZINC02029060_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 112 "ZINC02029060_3_i001_c001"

Treating input CT 113 "ZINC01676191_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 113 "ZINC01676191_1_i001_c001"

Treating input CT 114 "ZINC01998564_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 114 "ZINC01998564_1_i001_c001"

Treating input CT 115 "ZINC01998564_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 115 "ZINC01998564_3_i001_c001"

Treating input CT 116 "ZINC01998564_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 116 "ZINC01998564_5_i001_c001"

Treating input CT 117 "ZINC01676191_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 "ZINC01676191_3_i001_c001"

Treating input CT 118 "ZINC01676191_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 118 "ZINC01676191_5_i001_c001"

Treating input CT 119 "ZINC03151890_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 "ZINC03151890_1_i001_c001"

Treating input CT 120 "ZINC03151890_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 "ZINC03151890_3_i001_c001"

Treating input CT 121 "ZINC01846012_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 "ZINC01846012_1_i001_c001"

Treating input CT 122 "ZINC01846012_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 122 "ZINC01846012_3_i001_c001"

Treating input CT 123 "ZINC01732712_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 123 "ZINC01732712_1_i001_c001"

Treating input CT 124 "ZINC01732712_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 124 "ZINC01732712_3_i001_c001"

Treating input CT 125 "ZINC01732712_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 125 "ZINC01732712_5_i001_c001"

Treating input CT 126 "ZINC03252117_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 126 "ZINC03252117_1_i001_c001"

Treating input CT 127 "ZINC03252117_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 127 "ZINC03252117_3_i001_c001"

Treating input CT 128 "ZINC03252117_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 128 "ZINC03252117_5_i001_c001"

Treating input CT 129 "ZINC01672974_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 129 "ZINC01672974_1_i001_c001"

Treating input CT 130 "ZINC01602865_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 130 "ZINC01602865_1_i001_c001"

Treating input CT 131 "ZINC01602865_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 131 "ZINC01602865_3_i001_c001"

Treating input CT 132 "ZINC01602865_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 132 "ZINC01602865_5_i001_c001"

Treating input CT 133 "ZINC01569121_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 133 "ZINC01569121_1_i001_c001"

Treating input CT 134 "ZINC01569121_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 134 "ZINC01569121_3_i001_c001"

Treating input CT 135 "ZINC01569121_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 135 "ZINC01569121_5_i001_c001"

Treating input CT 136 "ZINC01558415_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 "ZINC01558415_1_i001_c001"

Treating input CT 137 "ZINC01558415_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 "ZINC01558415_3_i001_c001"

Treating input CT 138 "ZINC01558415_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 "ZINC01558415_5_i001_c001"

Treating input CT 139 "ZINC02288583_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 139 "ZINC02288583_1_i001_c001"

Treating input CT 140 "ZINC02288583_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 140 "ZINC02288583_3_i001_c001"

Treating input CT 141 "ZINC02288583_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 141 "ZINC02288583_5_i001_c001"

Treating input CT 142 "ZINC02369435_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 "ZINC02369435_1_i001_c001"

Treating input CT 143 "ZINC02369435_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 "ZINC02369435_3_i001_c001"

Treating input CT 144 "ZINC02022037_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 "ZINC02022037_1_i001_c001"

Treating input CT 145 "ZINC02022037_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 145 "ZINC02022037_3_i001_c001"

Treating input CT 146 "ZINC02022037_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 146 "ZINC02022037_5_i001_c001"

Treating input CT 147 "ZINC02369435_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 147 "ZINC02369435_5_i001_c001"

Treating input CT 148 "ZINC01637897_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 148 "ZINC01637897_1_i001_c001"

Treating input CT 149 "ZINC01637897_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 149 "ZINC01637897_3_i001_c001"

Treating input CT 150 "ZINC01637897_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 150 "ZINC01637897_5_i001_c001"

Treating input CT 151 "ZINC02001034_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 "ZINC02001034_1_i001_c001"

Treating input CT 152 "ZINC02291548_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 152 "ZINC02291548_1_i001_c001"

Treating input CT 153 "ZINC02291548_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 153 "ZINC02291548_3_i001_c001"

Treating input CT 154 "ZINC02022042_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 154 "ZINC02022042_1_i001_c001"

Treating input CT 155 "ZINC02022042_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 155 "ZINC02022042_3_i001_c001"

Treating input CT 156 "ZINC02022042_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 "ZINC02022042_5_i001_c001"

Treating input CT 157 "ZINC01765093_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 157 "ZINC01765093_1_i001_c001"

Treating input CT 158 "ZINC01765093_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 158 "ZINC01765093_3_i001_c001"

Treating input CT 159 "ZINC01765093_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 159 "ZINC01765093_5_i001_c001"

Treating input CT 160 "ZINC02593725_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 160 "ZINC02593725_1_i001_c001"

Treating input CT 161 "ZINC02593725_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 161 "ZINC02593725_3_i001_c001"

Treating input CT 162 "ZINC02593725_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 162 "ZINC02593725_5_i001_c001"

Treating input CT 163 "ZINC02000456_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 163 "ZINC02000456_1_i001_c001"

Treating input CT 164 "ZINC02000456_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 164 "ZINC02000456_3_i001_c001"

Treating input CT 165 "ZINC02000456_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 165 "ZINC02000456_5_i001_c001"

Treating input CT 166 "ZINC01626223_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 166 "ZINC01626223_1_i001_c001"

Treating input CT 167 "ZINC01626223_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 167 "ZINC01626223_3_i001_c001"

Treating input CT 168 "ZINC03109721_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 "ZINC03109721_1_i001_c001"

Treating input CT 169 "ZINC02017886_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 "ZINC02017886_1_i001_c001"

Treating input CT 170 "ZINC02017886_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 "ZINC02017886_3_i001_c001"

Treating input CT 171 "ZINC02017886_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 171 "ZINC02017886_5_i001_c001"

Treating input CT 172 "ZINC01666663_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 172 "ZINC01666663_1_i001_c001"

Treating input CT 173 "ZINC01562190_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 173 "ZINC01562190_1_i001_c001"

Treating input CT 174 "ZINC01562190_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 174 "ZINC01562190_3_i001_c001"

Treating input CT 175 "ZINC01532714_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 175 "ZINC01532714_1_i001_c001"

Treating input CT 176 "ZINC01532714_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 176 "ZINC01532714_3_i001_c001"

Treating input CT 177 "ZINC01647570_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 177 "ZINC01647570_1_i001_c001"

Treating input CT 178 "ZINC01647570_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 178 "ZINC01647570_1_i001_c002"

Treating input CT 179 "ZINC01647570_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 179 "ZINC01647570_1_i001_c003"

Treating input CT 180 "ZINC01647570_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 "ZINC01647570_3_i001_c001"

Treating input CT 181 "ZINC01647570_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 181 "ZINC01647570_3_i001_c002"

Treating input CT 182 "ZINC01647570_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 182 "ZINC01647570_3_i001_c003"

Treating input CT 183 "ZINC03118473_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 183 "ZINC03118473_1_i001_c001"

Treating input CT 184 "ZINC03118473_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 184 "ZINC03118473_3_i001_c001"

Treating input CT 185 "ZINC03118473_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 185 "ZINC03118473_5_i001_c001"

Treating input CT 186 "ZINC01647570_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 186 "ZINC01647570_5_i001_c001"

Treating input CT 187 "ZINC01647570_5_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 187 "ZINC01647570_5_i001_c002"

Treating input CT 188 "ZINC01647570_5_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 188 "ZINC01647570_5_i001_c003"

Treating input CT 189 "ZINC01678156_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 "ZINC01678156_1_i001_c001"

Treating input CT 190 "ZINC01678156_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 190 "ZINC01678156_3_i001_c001"

Treating input CT 191 "ZINC01678156_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 191 "ZINC01678156_5_i001_c001"

Treating input CT 192 "ZINC03043092_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 192 "ZINC03043092_1_i001_c001"

Treating input CT 193 "ZINC03043092_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 193 "ZINC03043092_3_i001_c001"

Treating input CT 194 "ZINC03043092_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 194 "ZINC03043092_5_i001_c001"

Treating input CT 195 "ZINC03043092_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 195 "ZINC03043092_7_i001_c001"

Treating input CT 196 "ZINC03043092_9_i001_c001"
  Total 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 "ZINC03043092_9_i001_c001"

Treating input CT 197 "ZINC03043092_11_i001_c001"
  Total 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 "ZINC03043092_11_i001_c001"

Treating input CT 198 "ZINC02007719_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 198 "ZINC02007719_1_i001_c001"

Treating input CT 199 "ZINC02007719_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 199 "ZINC02007719_3_i001_c001"

Treating input CT 200 "ZINC01689473_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 200 "ZINC01689473_1_i001_c001"

Treating input CT 201 "ZINC02565422_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 201 "ZINC02565422_1_i001_c001"

Treating input CT 202 "ZINC02007719_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 202 "ZINC02007719_5_i001_c001"

Treating input CT 203 "ZINC03124069_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 203 "ZINC03124069_1_i001_c001"

Treating input CT 204 "ZINC03124069_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 204 "ZINC03124069_3_i001_c001"

Treating input CT 205 "ZINC03124069_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 205 "ZINC03124069_5_i001_c001"

Treating input CT 206 "ZINC01680556_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 "ZINC01680556_1_i001_c001"

Treating input CT 207 "ZINC01680556_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 207 "ZINC01680556_3_i001_c001"

Treating input CT 208 "ZINC01680556_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 208 "ZINC01680556_5_i001_c001"

Treating input CT 209 "ZINC02010743_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 "ZINC02010743_1_i001_c001"

Treating input CT 210 "ZINC02010743_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 "ZINC02010743_3_i001_c001"

Treating input CT 211 "ZINC01547518_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 "ZINC01547518_1_i001_c001"

Treating input CT 212 "ZINC01547518_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 212 "ZINC01547518_1_i001_c002"

Treating input CT 213 "ZINC01547518_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 213 "ZINC01547518_3_i001_c001"

Treating input CT 214 "ZINC01547518_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 214 "ZINC01547518_3_i001_c002"

Treating input CT 215 "ZINC01666664_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 215 "ZINC01666664_1_i001_c001"

Treating input CT 216 "ZINC01666664_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 216 "ZINC01666664_3_i001_c001"

Treating input CT 217 "ZINC01689473_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 217 "ZINC01689473_3_i001_c001"

Treating input CT 218 "ZINC01689473_5_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 218 "ZINC01689473_5_i001_c001"

Treating input CT 219 "ZINC01846017_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 "ZINC01846017_1_i001_c001"

Treating input CT 220 "ZINC01662383_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 "ZINC01662383_3_i001_c001"

Treating input CT 221 "ZINC01662383_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 221 "ZINC01662383_5_i001_c001"

Treating input CT 222 "ZINC01574440_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 222 "ZINC01574440_1_i001_c001"

Treating input CT 223 "ZINC01574440_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 223 "ZINC01574440_1_i001_c002"

Treating input CT 224 "ZINC01574440_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 224 "ZINC01574440_1_i001_c003"

Treating input CT 225 "ZINC01574440_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 225 "ZINC01574440_1_i001_c004"

Treating input CT 226 "ZINC01574440_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 226 "ZINC01574440_3_i001_c001"

Treating input CT 227 "ZINC01574440_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 227 "ZINC01574440_3_i001_c002"

Treating input CT 228 "ZINC01574440_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 228 "ZINC01574440_3_i001_c003"

Treating input CT 229 "ZINC01574440_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 229 "ZINC01574440_3_i001_c004"

Treating input CT 230 "ZINC01574440_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 230 "ZINC01574440_5_i001_c001"

Treating input CT 231 "ZINC01574440_5_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 231 "ZINC01574440_5_i001_c002"

Treating input CT 232 "ZINC01574440_5_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 232 "ZINC01574440_5_i001_c003"

Treating input CT 233 "ZINC01574440_5_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 233 "ZINC01574440_5_i001_c004"

Treating input CT 234 "ZINC03184856_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 234 "ZINC03184856_1_i001_c001"

Treating input CT 235 "ZINC03184856_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 235 "ZINC03184856_3_i001_c001"

Treating input CT 236 "ZINC03184856_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 236 "ZINC03184856_5_i001_c001"

Treating input CT 237 "ZINC01552659_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 "ZINC01552659_1_i001_c001"

Treating input CT 238 "ZINC01552659_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 238 "ZINC01552659_1_i001_c002"

Treating input CT 239 "ZINC01552659_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 239 "ZINC01552659_3_i001_c001"

Treating input CT 240 "ZINC01552659_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 240 "ZINC01552659_3_i001_c002"

Treating input CT 241 "ZINC01552659_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 241 "ZINC01552659_5_i001_c001"

Treating input CT 242 "ZINC01552659_5_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 242 "ZINC01552659_5_i001_c002"

Treating input CT 243 "ZINC01552659_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 243 "ZINC01552659_7_i001_c001"

Treating input CT 244 "ZINC01552659_7_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 244 "ZINC01552659_7_i001_c002"

Treating input CT 245 "ZINC01552659_9_i001_c001"
  Total 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 "ZINC01552659_9_i001_c001"

Treating input CT 246 "ZINC01552659_9_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 246 "ZINC01552659_9_i001_c002"

Treating input CT 247 "ZINC01552659_11_i001_c001"
  Total 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 "ZINC01552659_11_i001_c001"

Treating input CT 248 "ZINC01552659_11_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 248 "ZINC01552659_11_i001_c002"

Treating input CT 249 "ZINC01574020_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 249 "ZINC01574020_1_i001_c001"

Treating input CT 250 "ZINC01574020_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 250 "ZINC01574020_1_i001_c002"

Treating input CT 251 "ZINC01574020_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 251 "ZINC01574020_1_i001_c003"

Treating input CT 252 "ZINC01574020_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 252 "ZINC01574020_1_i001_c004"

Treating input CT 253 "ZINC01574020_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 253 "ZINC01574020_3_i001_c001"

Treating input CT 254 "ZINC01574020_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 254 "ZINC01574020_3_i001_c002"

Treating input CT 255 "ZINC01574020_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 255 "ZINC01574020_3_i001_c003"

Treating input CT 256 "ZINC01574020_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 256 "ZINC01574020_3_i001_c004"

Treating input CT 257 "ZINC01608557_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 257 "ZINC01608557_1_i001_c001"

Treating input CT 258 "ZINC01608557_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 258 "ZINC01608557_3_i001_c001"

Treating input CT 259 "ZINC01574020_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 259 "ZINC01574020_5_i001_c001"

Treating input CT 260 "ZINC01574020_5_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 260 "ZINC01574020_5_i001_c002"

Treating input CT 261 "ZINC01574020_5_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 261 "ZINC01574020_5_i001_c003"

Treating input CT 262 "ZINC01574020_5_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 262 "ZINC01574020_5_i001_c004"

Treating input CT 263 "ZINC02144639_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 263 "ZINC02144639_1_i001_c001"

Treating input CT 264 "ZINC02144639_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 264 "ZINC02144639_3_i001_c001"

Treating input CT 265 "ZINC01538561_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 265 "ZINC01538561_1_i001_c001"

Treating input CT 266 "ZINC01590685_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 "ZINC01590685_1_i001_c001"

Treating input CT 267 "ZINC02022045_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 267 "ZINC02022045_1_i001_c001"

Treating input CT 268 "ZINC01662442_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 268 "ZINC01662442_1_i001_c001"

Treating input CT 269 "ZINC01662442_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 269 "ZINC01662442_1_i001_c002"

Treating input CT 270 "ZINC01662442_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 270 "ZINC01662442_1_i001_c003"

Treating input CT 271 "ZINC03123387_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 271 "ZINC03123387_1_i001_c001"

Treating input CT 272 "ZINC03123387_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 272 "ZINC03123387_3_i001_c001"

Treating input CT 273 "ZINC03123387_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 273 "ZINC03123387_5_i001_c001"

Treating input CT 274 "ZINC01715356_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 274 "ZINC01715356_1_i001_c001"

Treating input CT 275 "ZINC01715356_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 275 "ZINC01715356_1_i001_c002"

Treating input CT 276 "ZINC01715356_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 276 "ZINC01715356_1_i001_c003"

Treating input CT 277 "ZINC01715356_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 277 "ZINC01715356_1_i001_c004"

Treating input CT 278 "ZINC01715356_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 278 "ZINC01715356_1_i001_c005"

Treating input CT 279 "ZINC01715356_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 279 "ZINC01715356_3_i001_c001"

Treating input CT 280 "ZINC01715356_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 280 "ZINC01715356_3_i001_c002"

Treating input CT 281 "ZINC01715356_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 281 "ZINC01715356_3_i001_c003"

Treating input CT 282 "ZINC01715356_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 282 "ZINC01715356_3_i001_c004"

Treating input CT 283 "ZINC01715356_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 283 "ZINC01715356_3_i001_c005"

Treating input CT 284 "ZINC01627750_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 "ZINC01627750_1_i001_c001"

Treating input CT 285 "ZINC01627750_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 "ZINC01627750_3_i001_c001"

Treating input CT 286 "ZINC01627750_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 "ZINC01627750_5_i001_c001"

Treating input CT 287 "ZINC01530488_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 287 "ZINC01530488_1_i001_c001"

Treating input CT 288 "ZINC03124688_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 288 "ZINC03124688_1_i001_c001"

Treating input CT 289 "ZINC03124688_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 289 "ZINC03124688_3_i001_c001"

Treating input CT 290 "ZINC03124688_5_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 "ZINC03124688_5_i001_c001"

Treating input CT 291 "ZINC02389707_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 "ZINC02389707_1_i001_c001"

Treating input CT 292 "ZINC02389707_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 "ZINC02389707_3_i001_c001"

Treating input CT 293 "ZINC02389707_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 293 "ZINC02389707_5_i001_c001"

Treating input CT 294 "ZINC01998583_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 294 "ZINC01998583_5_i001_c001"

Treating input CT 295 "ZINC01998583_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 295 "ZINC01998583_7_i001_c001"

Treating input CT 296 "ZINC01661585_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 296 "ZINC01661585_1_i001_c001"

Treating input CT 297 "ZINC01661585_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 297 "ZINC01661585_1_i001_c002"

Treating input CT 298 "ZINC03018580_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 298 "ZINC03018580_1_i001_c001"

Treating input CT 299 "ZINC03018580_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 299 "ZINC03018580_3_i001_c001"

Treating input CT 300 "ZINC03018580_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 300 "ZINC03018580_5_i001_c001"

Treating input CT 301 "ZINC01998583_9_i001_c001"
  Total 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 "ZINC01998583_9_i001_c001"

Treating input CT 302 "ZINC01998583_11_i001_c001"
  Total 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 "ZINC01998583_11_i001_c001"

Treating input CT 303 "ZINC02595172_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 "ZINC02595172_1_i001_c001"

Treating input CT 304 "ZINC02595172_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 304 "ZINC02595172_3_i001_c001"

Treating input CT 305 "ZINC02256291_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 305 "ZINC02256291_1_i001_c001"

Treating input CT 306 "ZINC02256291_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 306 "ZINC02256291_3_i001_c001"

Treating input CT 307 "ZINC02256291_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 307 "ZINC02256291_5_i001_c001"

Treating input CT 308 "ZINC02595172_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 308 "ZINC02595172_5_i001_c001"

Treating input CT 309 "ZINC02530770_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 309 "ZINC02530770_1_i001_c001"

Treating input CT 310 "ZINC02530770_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 310 "ZINC02530770_3_i001_c001"

Treating input CT 311 "ZINC02963817_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 311 "ZINC02963817_1_i001_c001"

Treating input CT 312 "ZINC02963817_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 312 "ZINC02963817_3_i001_c001"

Treating input CT 313 "ZINC01735001_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 "ZINC01735001_1_i001_c001"

Treating input CT 314 "ZINC01735001_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 314 "ZINC01735001_1_i001_c002"

Treating input CT 315 "ZINC01735001_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 315 "ZINC01735001_1_i001_c003"

Treating input CT 316 "ZINC01735001_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 316 "ZINC01735001_1_i001_c004"

Treating input CT 317 "ZINC01735001_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 317 "ZINC01735001_1_i001_c005"

Treating input CT 318 "ZINC01735001_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 318 "ZINC01735001_1_i001_c006"

Treating input CT 319 "ZINC01735001_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 319 "ZINC01735001_1_i001_c007"

Treating input CT 320 "ZINC01735001_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 320 "ZINC01735001_1_i001_c008"

Treating input CT 321 "ZINC01735001_1_i001_c009"
  Total 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 "ZINC01735001_1_i001_c009"

Treating input CT 322 "ZINC01735001_1_i001_c010"
  Total 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 "ZINC01735001_1_i001_c010"

Treating input CT 323 "ZINC01735001_1_i001_c011"
  Total 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 "ZINC01735001_1_i001_c011"

Treating input CT 324 "ZINC01735001_1_i001_c012"
  Total 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 "ZINC01735001_1_i001_c012"

Treating input CT 325 "ZINC01735001_1_i001_c013"
  Total 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 "ZINC01735001_1_i001_c013"

Treating input CT 326 "ZINC01735001_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 326 "ZINC01735001_3_i001_c001"

Treating input CT 327 "ZINC01735001_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 327 "ZINC01735001_3_i001_c002"

Treating input CT 328 "ZINC01735001_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 328 "ZINC01735001_3_i001_c003"

Treating input CT 329 "ZINC01735001_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 329 "ZINC01735001_3_i001_c004"

Treating input CT 330 "ZINC01735001_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 330 "ZINC01735001_3_i001_c005"

Treating input CT 331 "ZINC01735001_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 331 "ZINC01735001_3_i001_c006"

Treating input CT 332 "ZINC01735001_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 332 "ZINC01735001_3_i001_c007"

Treating input CT 333 "ZINC01735001_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 333 "ZINC01735001_3_i001_c008"

Treating input CT 334 "ZINC01735001_3_i001_c009"
  Total 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 "ZINC01735001_3_i001_c009"

Treating input CT 335 "ZINC01735001_3_i001_c010"
  Total 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 "ZINC01735001_3_i001_c010"

Treating input CT 336 "ZINC01735001_3_i001_c011"
  Total 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 "ZINC01735001_3_i001_c011"

Treating input CT 337 "ZINC01735001_3_i001_c012"
  Total 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 "ZINC01735001_3_i001_c012"

Treating input CT 338 "ZINC01735001_3_i001_c013"
  Total 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 "ZINC01735001_3_i001_c013"

Treating input CT 339 "ZINC01719927_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 "ZINC01719927_1_i001_c001"

Treating input CT 340 "ZINC01735001_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 340 "ZINC01735001_5_i001_c001"

Treating input CT 341 "ZINC01735001_5_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 341 "ZINC01735001_5_i001_c002"

Treating input CT 342 "ZINC01735001_5_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 342 "ZINC01735001_5_i001_c003"

Treating input CT 343 "ZINC01735001_5_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 343 "ZINC01735001_5_i001_c004"

Treating input CT 344 "ZINC01735001_5_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 344 "ZINC01735001_5_i001_c005"

Treating input CT 345 "ZINC01735001_5_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 345 "ZINC01735001_5_i001_c006"

Treating input CT 346 "ZINC01735001_5_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 346 "ZINC01735001_5_i001_c007"

Treating input CT 347 "ZINC01735001_5_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 347 "ZINC01735001_5_i001_c008"

Treating input CT 348 "ZINC01735001_5_i001_c009"
  Total 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 "ZINC01735001_5_i001_c009"

Treating input CT 349 "ZINC01735001_5_i001_c010"
  Total 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 "ZINC01735001_5_i001_c010"

Treating input CT 350 "ZINC01735001_5_i001_c011"
  Total 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 "ZINC01735001_5_i001_c011"

Treating input CT 351 "ZINC01735001_5_i001_c012"
  Total 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 "ZINC01735001_5_i001_c012"

Treating input CT 352 "ZINC01735001_5_i001_c013"
  Total 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 "ZINC01735001_5_i001_c013"

Treating input CT 353 "ZINC01637898_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 "ZINC01637898_1_i001_c001"

Treating input CT 354 "ZINC01869170_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 354 "ZINC01869170_1_i001_c001"

Treating input CT 355 "ZINC01860121_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 355 "ZINC01860121_1_i001_c001"

Treating input CT 356 "ZINC01860121_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 356 "ZINC01860121_3_i001_c001"

Treating input CT 357 "ZINC03093447_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 357 "ZINC03093447_1_i001_c001"

Treating input CT 358 "ZINC03093447_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 358 "ZINC03093447_3_i001_c001"

Treating input CT 359 "ZINC03093447_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 359 "ZINC03093447_5_i001_c001"

Treating input CT 360 "ZINC01860121_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 "ZINC01860121_5_i001_c001"

Treating input CT 361 "ZINC02290913_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 361 "ZINC02290913_1_i001_c001"

Treating input CT 362 "ZINC02290913_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 362 "ZINC02290913_3_i001_c001"

Treating input CT 363 "ZINC02290913_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 363 "ZINC02290913_5_i001_c001"

Treating input CT 364 "ZINC02290913_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 364 "ZINC02290913_7_i001_c001"

Treating input CT 365 "ZINC02290913_9_i001_c001"
  Total 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 "ZINC02290913_9_i001_c001"

Treating input CT 366 "ZINC02290913_11_i001_c001"
  Total 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 "ZINC02290913_11_i001_c001"

Treating input CT 367 "ZINC01731278_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 367 "ZINC01731278_1_i001_c001"

Treating input CT 368 "ZINC01637898_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 368 "ZINC01637898_3_i001_c001"

Treating input CT 369 "ZINC01637898_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 369 "ZINC01637898_5_i001_c001"

Treating input CT 370 "ZINC02590153_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 370 "ZINC02590153_1_i001_c001"

Treating input CT 371 "ZINC02590153_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 "ZINC02590153_3_i001_c001"

Treating input CT 372 "ZINC02590153_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 372 "ZINC02590153_5_i001_c001"

Treating input CT 373 "ZINC01621182_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 373 "ZINC01621182_1_i001_c001"

Treating input CT 374 "ZINC01621182_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 374 "ZINC01621182_3_i001_c001"

Treating input CT 375 "ZINC01538562_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 375 "ZINC01538562_1_i001_c001"

Treating input CT 376 "ZINC01538562_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 376 "ZINC01538562_3_i001_c001"

Treating input CT 377 "ZINC01538562_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 377 "ZINC01538562_5_i001_c001"

Treating input CT 378 "ZINC01621182_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 378 "ZINC01621182_5_i001_c001"

Treating input CT 379 "ZINC02963439_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 379 "ZINC02963439_1_i001_c001"

Treating input CT 380 "ZINC02963439_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 380 "ZINC02963439_3_i001_c001"

Treating input CT 381 "ZINC01846017_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 381 "ZINC01846017_3_i001_c001"

Treating input CT 382 "ZINC01846017_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 "ZINC01846017_5_i001_c001"

Treating input CT 383 "ZINC02963439_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 383 "ZINC02963439_5_i001_c001"

Treating input CT 384 "ZINC02303174_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 "ZINC02303174_1_i001_c001"

Treating input CT 385 "ZINC02303174_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 "ZINC02303174_3_i001_c001"

Treating input CT 386 "ZINC02303174_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 386 "ZINC02303174_5_i001_c001"

Treating input CT 387 "ZINC01735296_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 387 "ZINC01735296_1_i001_c001"

Treating input CT 388 "ZINC01735296_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 388 "ZINC01735296_3_i001_c001"

Treating input CT 389 "ZINC01735296_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 389 "ZINC01735296_5_i001_c001"

Treating input CT 390 "ZINC01735296_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 390 "ZINC01735296_7_i001_c001"

Treating input CT 391 "ZINC01735296_9_i001_c001"
  Total candidate ionization centers: 0
  Maximum possible ionization states: 1 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 391 "ZINC01735296_9_i001_c001"

Treating input CT 392 "ZINC01735296_11_i001_c001"
  Total 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 "ZINC01735296_11_i001_c001"

Treating input CT 393 "ZINC01751636_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 393 "ZINC01751636_1_i001_c001"

Treating input CT 394 "ZINC01751636_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 394 "ZINC01751636_3_i001_c001"

Treating input CT 395 "ZINC01751636_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 395 "ZINC01751636_5_i001_c001"

Treating input CT 396 "ZINC02311877_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 396 "ZINC02311877_1_i001_c001"

Treating input CT 397 "ZINC02311877_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 397 "ZINC02311877_3_i001_c001"

Treating input CT 398 "ZINC02311877_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 398 "ZINC02311877_5_i001_c001"

Treating input CT 399 "ZINC01560548_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 399 "ZINC01560548_1_i001_c001"

Treating input CT 400 "ZINC01560548_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 400 "ZINC01560548_3_i001_c001"

Treating input CT 401 "ZINC02333565_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 401 "ZINC02333565_1_i001_c001"

Treating input CT 402 "ZINC02333565_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 402 "ZINC02333565_3_i001_c001"

Treating input CT 403 "ZINC02333565_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 403 "ZINC02333565_5_i001_c001"

Treating input CT 404 "ZINC02333565_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 404 "ZINC02333565_7_i001_c001"

Treating input CT 405 "ZINC01560548_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 405 "ZINC01560548_5_i001_c001"

Treating input CT 406 "ZINC01552657_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 406 "ZINC01552657_1_i001_c001"

Treating input CT 407 "ZINC01552657_1_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 407 "ZINC01552657_1_i001_c002"

Treating input CT 408 "ZINC01552657_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 408 "ZINC01552657_3_i001_c001"

Treating input CT 409 "ZINC01552657_3_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 409 "ZINC01552657_3_i001_c002"

Treating input CT 410 "ZINC01552657_5_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 410 "ZINC01552657_5_i001_c001"

Treating input CT 411 "ZINC01552657_5_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 411 "ZINC01552657_5_i001_c002"

Treating input CT 412 "ZINC01552657_7_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 412 "ZINC01552657_7_i001_c001"

Treating input CT 413 "ZINC01552657_7_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 413 "ZINC01552657_7_i001_c002"

Treating input CT 414 "ZINC01552657_9_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 414 "ZINC01552657_9_i001_c001"

Treating input CT 415 "ZINC01552657_9_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 415 "ZINC01552657_9_i001_c002"

Treating input CT 416 "ZINC01552657_11_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 416 "ZINC01552657_11_i001_c001"

Treating input CT 417 "ZINC01552657_11_i001_c002"
  Total candidate ionization centers: 1
  Maximum possible ionization states: 2 (unrestricted)
  Proceeding with expansion....
  Expanded to 1 output CT (after restrictions imposed)
Finished input CT 417 "ZINC01552657_11_i001_c002"

Treating input CT 418 "ZINC01839720_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 "ZINC01839720_1_i001_c001"

Treating input CT 419 "ZINC01839720_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 "ZINC01839720_3_i001_c001"

Treating input CT 420 "ZINC01839720_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 420 "ZINC01839720_5_i001_c001"

Treating input CT 421 "ZINC01794174_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 421 "ZINC01794174_1_i001_c001"

Treating input CT 422 "ZINC01998555_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 "ZINC01998555_1_i001_c001"

Treating input CT 423 "ZINC01998555_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 "ZINC01998555_3_i001_c001"

Treating input CT 424 "ZINC01998555_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 424 "ZINC01998555_5_i001_c001"

Treating input CT 425 "ZINC01794174_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 "ZINC01794174_3_i001_c001"

Treating input CT 426 "ZINC01794174_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 "ZINC01794174_5_i001_c001"

Treating input CT 427 "ZINC01778918_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 427 "ZINC01778918_1_i001_c001"

Treating input CT 428 "ZINC01778918_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 428 "ZINC01778918_3_i001_c001"

Treating input CT 429 "ZINC01778918_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 429 "ZINC01778918_5_i001_c001"

Treating input CT 430 "ZINC03131450_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 430 "ZINC03131450_1_i001_c001"

Treating input CT 431 "ZINC03131450_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 431 "ZINC03131450_3_i001_c001"

Treating input CT 432 "ZINC03131450_5_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 432 "ZINC03131450_5_i001_c001"

Treating input CT 433 "ZINC01895374_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 433 "ZINC01895374_1_i001_c001"

Treating input CT 434 "ZINC02986745_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 "ZINC02986745_1_i001_c001"

Treating input CT 435 "ZINC01895374_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 "ZINC01895374_3_i001_c001"

Treating input CT 436 "ZINC01895374_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 436 "ZINC01895374_5_i001_c001"

Treating input CT 437 "ZINC01592113_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 437 "ZINC01592113_1_i001_c001"

Treating input CT 438 "ZINC02304981_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 "ZINC02304981_1_i001_c001"

Treating input CT 439 "ZINC02304981_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 "ZINC02304981_3_i001_c001"

Treating input CT 440 "ZINC02304981_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 440 "ZINC02304981_5_i001_c001"

Treating input CT 441 "ZINC02291583_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 441 "ZINC02291583_1_i001_c001"

Treating input CT 442 "ZINC02291583_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 442 "ZINC02291583_3_i001_c001"

Treating input CT 443 "ZINC02038020_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 443 "ZINC02038020_1_i001_c001"

Treating input CT 444 "ZINC02038020_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 444 "ZINC02038020_3_i001_c001"

Treating input CT 445 "ZINC02038020_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 445 "ZINC02038020_5_i001_c001"

Treating input CT 446 "ZINC02986745_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 446 "ZINC02986745_3_i001_c001"

Treating input CT 447 "ZINC02986745_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 447 "ZINC02986745_5_i001_c001"

Treating input CT 448 "ZINC03124070_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 448 "ZINC03124070_1_i001_c001"

Treating input CT 449 "ZINC03124070_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 449 "ZINC03124070_3_i001_c001"

Treating input CT 450 "ZINC03124070_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 450 "ZINC03124070_5_i001_c001"

Treating input CT 451 "ZINC01662800_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 "ZINC01662800_1_i001_c001"

Treating input CT 452 "ZINC03098703_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 452 "ZINC03098703_1_i001_c001"

Treating input CT 453 "ZINC03098703_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 453 "ZINC03098703_3_i001_c001"

Treating input CT 454 "ZINC02003719_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 454 "ZINC02003719_1_i001_c001"

Treating input CT 455 "ZINC02003719_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 455 "ZINC02003719_3_i001_c001"

Treating input CT 456 "ZINC03098703_5_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 456 "ZINC03098703_5_i001_c001"

Treating input CT 457 "ZINC02963451_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 "ZINC02963451_1_i001_c001"

Treating input CT 458 "ZINC02963451_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 458 "ZINC02963451_3_i001_c001"

Treating input CT 459 "ZINC02963451_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 459 "ZINC02963451_5_i001_c001"

Treating input CT 460 "ZINC02015623_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 460 "ZINC02015623_1_i001_c001"

Treating input CT 461 "ZINC02015623_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 461 "ZINC02015623_3_i001_c001"

Treating input CT 462 "ZINC02015623_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 462 "ZINC02015623_5_i001_c001"

Treating input CT 463 "ZINC03185495_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 463 "ZINC03185495_1_i001_c001"

Treating input CT 464 "ZINC03185495_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 464 "ZINC03185495_3_i001_c001"

Treating input CT 465 "ZINC01602864_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 465 "