Run as: ionizer -i 2 -ph 7 -s /raid1/people/joha/PETC/PYTHON/DB/ionizer.ini -i d_zinc_pxxs_corina.mae -l d_zinc_pxxs_corina_ionizer.log -b d_zinc_pxxs_corina_ionizer_bad.mae -o d_zinc_pxxs_corina_ionizer.mae Ionizable group spec file used: /raid1/people/joha/PETC/PYTHON/DB/ionizer.ini Treating input CT 1 "ZINC00159909_i001_c001" Total 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 "ZINC00159909_i001_c001" Treating input CT 2 "ZINC00159910_i001_c001" Total 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 "ZINC00159910_i001_c001" Treating input CT 3 "ZINC00159911_i001_c001" Total 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 "ZINC00159911_i001_c001" Treating input CT 4 "ZINC00225808_i001_c001" Total 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 "ZINC00225808_i001_c001" Treating input CT 5 "ZINC00225809_i001_c001" Total 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 "ZINC00225809_i001_c001" Treating input CT 6 "ZINC00270604_i001_c001" Total 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 "ZINC00270604_i001_c001" Treating input CT 7 "ZINC00270627_i001_c001" Total 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 "ZINC00270627_i001_c001" Treating input CT 8 "ZINC00270903_i001_c001" Total 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 "ZINC00270903_i001_c001" Treating input CT 9 "ZINC00393459_i001_c001" Total 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 "ZINC00393459_i001_c001" Treating input CT 10 "ZINC00393460_i001_c001" Total 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 "ZINC00393460_i001_c001" Treating input CT 11 "ZINC00393511_i001_c001" Total 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 "ZINC00393511_i001_c001" Treating input CT 12 "ZINC00393511_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 "ZINC00393511_i001_c002" Treating input CT 13 "ZINC00393511_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 13 "ZINC00393511_i001_c003" Treating input CT 14 "ZINC00393511_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 14 "ZINC00393511_i001_c004" Treating input CT 15 "ZINC00393511_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 15 "ZINC00393511_i001_c005" Treating input CT 16 "ZINC00393511_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 16 "ZINC00393511_i001_c006" Treating input CT 17 "ZINC00393511_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 17 "ZINC00393511_i001_c007" Treating input CT 18 "ZINC00393511_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 18 "ZINC00393511_i001_c008" Treating input CT 19 "ZINC00393511_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 19 "ZINC00393511_i001_c009" Treating input CT 20 "ZINC00393511_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 20 "ZINC00393511_i001_c010" Treating input CT 21 "ZINC00393511_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 21 "ZINC00393511_i001_c011" Treating input CT 22 "ZINC00405536_i001_c001" Total 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 "ZINC00405536_i001_c001" Treating input CT 23 "ZINC00687877_i001_c001" Total 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 "ZINC00687877_i001_c001" Treating input CT 24 "ZINC00687878_i001_c001" Total 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 "ZINC00687878_i001_c001" Treating input CT 25 "ZINC00900687_i001_c001" Total 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 "ZINC00900687_i001_c001" Treating input CT 26 "ZINC00900688_i001_c001" Total 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 "ZINC00900688_i001_c001" Treating input CT 27 "ZINC00968512_i001_c001" Total 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 "ZINC00968512_i001_c001" Treating input CT 28 "ZINC01016426_i001_c001" Total 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 "ZINC01016426_i001_c001" Treating input CT 29 "ZINC01016427_i001_c001" Total 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 "ZINC01016427_i001_c001" Treating input CT 30 "ZINC01532117_i001_c001" Total 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 "ZINC01532117_i001_c001" Treating input CT 31 "ZINC01532118_i001_c001" Total 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 "ZINC01532118_i001_c001" Treating input CT 32 "ZINC01532119_i001_c001" Total 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 "ZINC01532119_i001_c001" Treating input CT 33 "ZINC01532120_i001_c001" Total 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 "ZINC01532120_i001_c001" Treating input CT 34 "ZINC01532121_i001_c001" Total 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 "ZINC01532121_i001_c001" Treating input CT 35 "ZINC01532122_i001_c001" Total 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 "ZINC01532122_i001_c001" Treating input CT 36 "ZINC01532123_i001_c001" Total 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 "ZINC01532123_i001_c001" Treating input CT 37 "ZINC01532124_i001_c001" Total 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 "ZINC01532124_i001_c001" Treating input CT 38 "ZINC01570638_i001_c001" Total 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 "ZINC01570638_i001_c001" Treating input CT 39 "ZINC01588035_i001_c001" Total 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 "ZINC01588035_i001_c001" Treating input CT 40 "ZINC01597514_i001_c001" Total 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 "ZINC01597514_i001_c001" Treating input CT 41 "ZINC01597518_i001_c001" Total 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 "ZINC01597518_i001_c001" Treating input CT 42 "ZINC01605605_i001_c001" Total 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 "ZINC01605605_i001_c001" Treating input CT 43 "ZINC01605606_i001_c001" Total 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 "ZINC01605606_i001_c001" Treating input CT 44 "ZINC01606510_i001_c001" Total 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 "ZINC01606510_i001_c001" Treating input CT 45 "ZINC01606511_i001_c001" Total 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 "ZINC01606511_i001_c001" Treating input CT 46 "ZINC01606512_i001_c001" Total 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 "ZINC01606512_i001_c001" Treating input CT 47 "ZINC01606513_i001_c001" Total 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 "ZINC01606513_i001_c001" Treating input CT 48 "ZINC01606514_i001_c001" Total 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 "ZINC01606514_i001_c001" Treating input CT 49 "ZINC01606515_i001_c001" Total 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 "ZINC01606515_i001_c001" Treating input CT 50 "ZINC01606516_i001_c001" Total 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 "ZINC01606516_i001_c001" Treating input CT 51 "ZINC01606517_i001_c001" Total 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 "ZINC01606517_i001_c001" Treating input CT 52 "ZINC01606518_i001_c001" Total 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 "ZINC01606518_i001_c001" Treating input CT 53 "ZINC01606556_i001_c001" Total 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 "ZINC01606556_i001_c001" Treating input CT 54 "ZINC01615654_i001_c001" Total 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 "ZINC01615654_i001_c001" Treating input CT 55 "ZINC01615655_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 55 "ZINC01615655_i001_c001" Treating input CT 56 "ZINC01615657_i001_c001" Total 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 "ZINC01615657_i001_c001" Treating input CT 57 "ZINC01615658_i001_c001" Total 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 "ZINC01615658_i001_c001" Treating input CT 58 "ZINC01632203_i001_c001" Total 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 "ZINC01632203_i001_c001" Treating input CT 59 "ZINC01692949_i001_c001" Total 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 "ZINC01692949_i001_c001" Treating input CT 60 "ZINC01699786_i001_c001" Total 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 "ZINC01699786_i001_c001" Treating input CT 61 "ZINC01719896_i001_c001" Total 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 "ZINC01719896_i001_c001" Treating input CT 62 "ZINC01719897_i001_c001" Total 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 "ZINC01719897_i001_c001" Treating input CT 63 "ZINC01719898_i001_c001" Total 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 "ZINC01719898_i001_c001" Treating input CT 64 "ZINC01719899_i001_c001" Total 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 "ZINC01719899_i001_c001" Treating input CT 65 "ZINC01719903_i001_c001" Total 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 "ZINC01719903_i001_c001" Treating input CT 66 "ZINC01719968_i001_c001" Total 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 "ZINC01719968_i001_c001" Treating input CT 67 "ZINC01719979_i001_c001" Total 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 "ZINC01719979_i001_c001" Treating input CT 68 "ZINC01723959_i001_c001" Total 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 "ZINC01723959_i001_c001" Treating input CT 69 "ZINC01726407_i001_c001" Total 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 "ZINC01726407_i001_c001" Treating input CT 70 "ZINC01726408_i001_c001" Total 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 "ZINC01726408_i001_c001" Treating input CT 71 "ZINC01726409_i001_c001" Total 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 "ZINC01726409_i001_c001" Treating input CT 72 "ZINC01726414_i001_c001" Total 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 "ZINC01726414_i001_c001" Treating input CT 73 "ZINC01726415_i001_c001" Total 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 "ZINC01726415_i001_c001" Treating input CT 74 "ZINC01726416_i001_c001" Total 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 "ZINC01726416_i001_c001" Treating input CT 75 "ZINC01737425_i001_c001" Total 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 "ZINC01737425_i001_c001" Treating input CT 76 "ZINC01853866_i001_c001" Total 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 "ZINC01853866_i001_c001" Treating input CT 77 "ZINC01853868_i001_c001" Total 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 "ZINC01853868_i001_c001" Treating input CT 78 "ZINC01853870_i001_c001" Total 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 "ZINC01853870_i001_c001" Treating input CT 79 "ZINC01853871_i001_c001" Total 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 "ZINC01853871_i001_c001" Treating input CT 80 "ZINC01870077_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 80 "ZINC01870077_i001_c001" Treating input CT 81 "ZINC01870078_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 81 "ZINC01870078_i001_c001" Treating input CT 82 "ZINC02009948_i001_c001" Total 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 "ZINC02009948_i001_c001" Treating input CT 83 "ZINC02009949_i001_c001" Total 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 "ZINC02009949_i001_c001" Treating input CT 84 "ZINC02019331_i001_c001" Total 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 "ZINC02019331_i001_c001" Treating input CT 85 "ZINC02019332_i001_c001" Total 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 "ZINC02019332_i001_c001" Treating input CT 86 "ZINC02022043_i001_c001" Total 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 "ZINC02022043_i001_c001" Treating input CT 87 "ZINC02040872_i001_c001" Total 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 "ZINC02040872_i001_c001" Treating input CT 88 "ZINC02040873_i001_c001" Total 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 "ZINC02040873_i001_c001" Treating input CT 89 "ZINC02218086_i001_c001" Total 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 "ZINC02218086_i001_c001" Treating input CT 90 "ZINC02391353_i001_c001" Total 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 "ZINC02391353_i001_c001" Treating input CT 91 "ZINC02391354_i001_c001" Total 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 "ZINC02391354_i001_c001" Treating input CT 92 "ZINC02391356_i001_c001" Total 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 "ZINC02391356_i001_c001" Treating input CT 93 "ZINC02565784_i001_c001" Total 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 "ZINC02565784_i001_c001" Treating input CT 94 "ZINC02577775_i001_c001" Total 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 "ZINC02577775_i001_c001" Treating input CT 95 "ZINC02577776_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 95 "ZINC02577776_i001_c001" Treating input CT 96 "ZINC02810068_i001_c001" Total 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 "ZINC02810068_i001_c001" Treating input CT 97 "ZINC03018826_i001_c001" Total 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 "ZINC03018826_i001_c001" Treating input CT 98 "ZINC03097924_i001_c001" Total 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 "ZINC03097924_i001_c001" Treating input CT 99 "ZINC03097925_i001_c001" Total 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 "ZINC03097925_i001_c001" Treating input CT 100 "ZINC03155256_i001_c001" Total 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 "ZINC03155256_i001_c001" Treating input CT 101 "ZINC03164109_i001_c001" Total 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 "ZINC03164109_i001_c001" Treating input CT 102 "ZINC03164126_i001_c001" Total 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 "ZINC03164126_i001_c001" Treating input CT 103 "ZINC03164784_i001_c001" Total 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 "ZINC03164784_i001_c001" Treating input CT 104 "ZINC03164784_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 "ZINC03164784_i001_c002" Treating input CT 105 "ZINC03164784_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 105 "ZINC03164784_i001_c003" Treating input CT 106 "ZINC03164784_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 106 "ZINC03164784_i001_c004" Treating input CT 107 "ZINC03164784_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 107 "ZINC03164784_i001_c005" Treating input CT 108 "ZINC03164784_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 108 "ZINC03164784_i001_c006" Treating input CT 109 "ZINC03164784_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 109 "ZINC03164784_i001_c007" Treating input CT 110 "ZINC03164784_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 110 "ZINC03164784_i001_c008" Treating input CT 111 "ZINC03185661_i001_c001" Total 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 "ZINC03185661_i001_c001" Treating input CT 112 "ZINC03185662_i001_c001" Total 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 "ZINC03185662_i001_c001" Treating input CT 113 "ZINC03185663_i001_c001" Total 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 "ZINC03185663_i001_c001" Treating input CT 114 "ZINC03185666_i001_c001" Total 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 "ZINC03185666_i001_c001" Treating input CT 115 "ZINC03189061_i001_c001" Total 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 "ZINC03189061_i001_c001" Treating input CT 116 "ZINC03189061_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 116 "ZINC03189061_i001_c002" Treating input CT 117 "ZINC03189061_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 117 "ZINC03189061_i001_c003" Treating input CT 118 "ZINC03189061_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 118 "ZINC03189061_i001_c004" Treating input CT 119 "ZINC03189061_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 119 "ZINC03189061_i001_c005" Treating input CT 120 "ZINC03189061_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 120 "ZINC03189061_i001_c006" Treating input CT 121 "ZINC03189061_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 121 "ZINC03189061_i001_c007" Treating input CT 122 "ZINC03189061_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 122 "ZINC03189061_i001_c008" Treating input CT 123 "ZINC03189068_i001_c001" Total 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 "ZINC03189068_i001_c001" Treating input CT 124 "ZINC03189070_i001_c001" Total 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 "ZINC03189070_i001_c001" Treating input CT 125 "ZINC03212861_i001_c001" Total 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 "ZINC03212861_i001_c001" Treating input CT 126 "ZINC03243726_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 126 "ZINC03243726_i001_c001" Treating input CT 127 "ZINC00001277_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 127 "ZINC00001277_i001_c001" Treating input CT 128 "ZINC00001309_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 128 "ZINC00001309_i001_c001" Treating input CT 129 "ZINC00001434_i001_c001" Total 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 "ZINC00001434_i001_c001" Treating input CT 130 "ZINC00001443_i001_c001" Total 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 "ZINC00001443_i001_c001" Treating input CT 131 "ZINC00001961_i001_c001" Total 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 "ZINC00001961_i001_c001" Treating input CT 132 "ZINC00002006_i001_c001" Total 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 "ZINC00002006_i001_c001" Treating input CT 133 "ZINC00002010_i001_c001" Total 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 "ZINC00002010_i001_c001" Treating input CT 134 "ZINC00002040_i001_c001" Total 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 "ZINC00002040_i001_c001" Treating input CT 135 "ZINC00160891_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 135 "ZINC00160891_i001_c001" Treating input CT 136 "ZINC00162947_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 136 "ZINC00162947_i001_c001" Treating input CT 137 "ZINC00162948_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 137 "ZINC00162948_i001_c001" Treating input CT 138 "ZINC00162982_i001_c001" Total 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 "ZINC00162982_i001_c001" Treating input CT 139 "ZINC00235826_i001_c001" Total 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 "ZINC00235826_i001_c001" Treating input CT 140 "ZINC00300846_i001_c001" Total 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 "ZINC00300846_i001_c001" Treating input CT 141 "ZINC00300848_i001_c001" Total 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 "ZINC00300848_i001_c001" Treating input CT 142 "ZINC00495332_i001_c001" Total 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 "ZINC00495332_i001_c001" Treating input CT 143 "ZINC00496346_i001_c001" Total 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 "ZINC00496346_i001_c001" Treating input CT 144 "ZINC00500934_i001_c001" Total 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 "ZINC00500934_i001_c001" Treating input CT 145 "ZINC00500934_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 145 "ZINC00500934_i001_c002" Treating input CT 146 "ZINC00500934_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 146 "ZINC00500934_i001_c003" Treating input CT 147 "ZINC00500934_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 147 "ZINC00500934_i001_c004" Treating input CT 148 "ZINC00500934_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 148 "ZINC00500934_i001_c005" Treating input CT 149 "ZINC00500934_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 149 "ZINC00500934_i001_c006" Treating input CT 150 "ZINC00500934_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 150 "ZINC00500934_i001_c007" Treating input CT 151 "ZINC00500934_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 151 "ZINC00500934_i001_c008" Treating input CT 152 "ZINC00500934_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 152 "ZINC00500934_i001_c009" Treating input CT 153 "ZINC00500934_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 153 "ZINC00500934_i001_c010" Treating input CT 154 "ZINC00535274_i001_c001" Total 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 "ZINC00535274_i001_c001" Treating input CT 155 "ZINC00535274_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 155 "ZINC00535274_i001_c002" Treating input CT 156 "ZINC00535274_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 156 "ZINC00535274_i001_c003" Treating input CT 157 "ZINC00535274_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 157 "ZINC00535274_i001_c004" Treating input CT 158 "ZINC00535274_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 158 "ZINC00535274_i001_c005" Treating input CT 159 "ZINC00535274_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 159 "ZINC00535274_i001_c006" Treating input CT 160 "ZINC00535274_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 160 "ZINC00535274_i001_c007" Treating input CT 161 "ZINC00535274_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 161 "ZINC00535274_i001_c008" Treating input CT 162 "ZINC00535274_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 162 "ZINC00535274_i001_c009" Treating input CT 163 "ZINC00535274_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 163 "ZINC00535274_i001_c010" Treating input CT 164 "ZINC00535274_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 164 "ZINC00535274_i001_c011" Treating input CT 165 "ZINC00535274_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 165 "ZINC00535274_i001_c012" Treating input CT 166 "ZINC00537862_i001_c001" Total 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 "ZINC00537862_i001_c001" Treating input CT 167 "ZINC00608221_i001_c001" Total 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 "ZINC00608221_i001_c001" Treating input CT 168 "ZINC00608250_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 168 "ZINC00608250_i001_c001" Treating input CT 169 "ZINC00608284_i001_c001" Total 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 "ZINC00608284_i001_c001" Treating input CT 170 "ZINC00896311_i001_c001" Total 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 "ZINC00896311_i001_c001" Treating input CT 171 "ZINC00896312_i001_c001" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 171 "ZINC00896312_i001_c001" Treating input CT 172 "ZINC00896314_i001_c001" Total 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 "ZINC00896314_i001_c001" Treating input CT 173 "ZINC00900717_i001_c001" Total 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 "ZINC00900717_i001_c001" Treating input CT 174 "ZINC01269096_i001_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 174 "ZINC01269096_i001_c001" Treating input CT 175 "ZINC01269096_i001_c002" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 175 "ZINC01269096_i001_c002" Treating input CT 176 "ZINC01269096_i001_c003" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 176 "ZINC01269096_i001_c003" Treating input CT 177 "ZINC01269096_i001_c004" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 177 "ZINC01269096_i001_c004" Treating input CT 178 "ZINC01269096_i001_c005" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 178 "ZINC01269096_i001_c005" Treating input CT 179 "ZINC01269096_i001_c006" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 179 "ZINC01269096_i001_c006" Treating input CT 180 "ZINC01269096_i001_c007" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 180 "ZINC01269096_i001_c007" Treating input CT 181 "ZINC01269096_i001_c008" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 181 "ZINC01269096_i001_c008" Treating input CT 182 "ZINC01269096_i001_c009" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 182 "ZINC01269096_i001_c009" Treating input CT 183 "ZINC01269096_i001_c010" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 183 "ZINC01269096_i001_c010" Treating input CT 184 "ZINC01269096_i001_c011" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 184 "ZINC01269096_i001_c011" Treating input CT 185 "ZINC01269096_i001_c012" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 185 "ZINC01269096_i001_c012" Treating input CT 186 "ZINC01269096_i001_c013" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 186 "ZINC01269096_i001_c013" Treating input CT 187 "ZINC01269096_i001_c014" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 187 "ZINC01269096_i001_c014" Treating input CT 188 "ZINC01269096_i002_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 188 "ZINC01269096_i002_c001" Treating input CT 189 "ZINC01269096_i002_c002" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 189 "ZINC01269096_i002_c002" Treating input CT 190 "ZINC01269096_i002_c003" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 190 "ZINC01269096_i002_c003" Treating input CT 191 "ZINC01269096_i002_c004" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 191 "ZINC01269096_i002_c004" Treating input CT 192 "ZINC01269096_i002_c005" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 192 "ZINC01269096_i002_c005" Treating input CT 193 "ZINC01269096_i002_c006" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 193 "ZINC01269096_i002_c006" Treating input CT 194 "ZINC01269096_i002_c007" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 194 "ZINC01269096_i002_c007" Treating input CT 195 "ZINC01269096_i002_c008" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 195 "ZINC01269096_i002_c008" Treating input CT 196 "ZINC01269096_i002_c009" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 196 "ZINC01269096_i002_c009" Treating input CT 197 "ZINC01269096_i002_c010" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 197 "ZINC01269096_i002_c010" Treating input CT 198 "ZINC01269096_i002_c011" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 198 "ZINC01269096_i002_c011" Treating input CT 199 "ZINC01269096_i002_c012" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 199 "ZINC01269096_i002_c012" Treating input CT 200 "ZINC01269096_i002_c013" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 200 "ZINC01269096_i002_c013" Treating input CT 201 "ZINC01269096_i002_c014" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 201 "ZINC01269096_i002_c014" Treating input CT 202 "ZINC01269096_i003_c001" Total candidate ionization centers: 2 Maximum possible ionization states: 4 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 202 "ZINC01269096_i003_c001" Treating input CT 203 "ZINC01276608_i001_c001" Total 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 "ZINC01276608_i001_c001" Treating input CT 204 "ZINC01565224_i001_c001" Total 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 "ZINC01565224_i001_c001" Treating input CT 205 "ZINC01569224_i001_c001" Total 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 "ZINC01569224_i001_c001" Treating input CT 206 "ZINC01576335_i001_c001" Total 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 "ZINC01576335_i001_c001" Treating input CT 207 "ZINC01576338_i001_c001" Total 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 "ZINC01576338_i001_c001" Treating input CT 208 "ZINC01587402_i001_c001" Total 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 "ZINC01587402_i001_c001" Treating input CT 209 "ZINC01588033_i001_c001" Total 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 "ZINC01588033_i001_c001" Treating input CT 210 "ZINC01588034_i001_c001" Total 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 "ZINC01588034_i001_c001" Treating input CT 211 "ZINC01588036_i001_c001" Total 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 "ZINC01588036_i001_c001" Treating input CT 212 "ZINC01589253_i001_c001" Total 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 "ZINC01589253_i001_c001" Treating input CT 213 "ZINC01589254_i001_c001" Total 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 "ZINC01589254_i001_c001" Treating input CT 214 "ZINC01597102_i001_c001" Total 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 "ZINC01597102_i001_c001" Treating input CT 215 "ZINC01597457_i001_c001" Total 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 "ZINC01597457_i001_c001" Treating input CT 216 "ZINC01597457_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 216 "ZINC01597457_i001_c002" Treating input CT 217 "ZINC01597458_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 217 "ZINC01597458_i001_c001" Treating input CT 218 "ZINC01597459_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 218 "ZINC01597459_i001_c001" Treating input CT 219 "ZINC01597502_i001_c001" Total 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 "ZINC01597502_i001_c001" Treating input CT 220 "ZINC01597503_i001_c001" Total 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 "ZINC01597503_i001_c001" Treating input CT 221 "ZINC01597503_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 221 "ZINC01597503_i001_c002" Treating input CT 222 "ZINC01597503_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 222 "ZINC01597503_i001_c003" Treating input CT 223 "ZINC01597503_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 223 "ZINC01597503_i001_c004" Treating input CT 224 "ZINC01597503_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 224 "ZINC01597503_i001_c005" Treating input CT 225 "ZINC01597503_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 225 "ZINC01597503_i001_c006" Treating input CT 226 "ZINC01597503_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 226 "ZINC01597503_i001_c007" Treating input CT 227 "ZINC01597503_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 227 "ZINC01597503_i001_c008" Treating input CT 228 "ZINC01597503_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 228 "ZINC01597503_i001_c009" Treating input CT 229 "ZINC01597503_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 229 "ZINC01597503_i001_c010" Treating input CT 230 "ZINC01597503_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 230 "ZINC01597503_i001_c011" Treating input CT 231 "ZINC01597503_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 231 "ZINC01597503_i001_c012" Treating input CT 232 "ZINC01597503_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 232 "ZINC01597503_i001_c013" Treating input CT 233 "ZINC01597503_i001_c014" Total 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 "ZINC01597503_i001_c014" Treating input CT 234 "ZINC01597504_i001_c001" Total 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 "ZINC01597504_i001_c001" Treating input CT 235 "ZINC01597504_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 235 "ZINC01597504_i001_c002" Treating input CT 236 "ZINC01597504_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 236 "ZINC01597504_i001_c003" Treating input CT 237 "ZINC01597504_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 237 "ZINC01597504_i001_c004" Treating input CT 238 "ZINC01597504_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 238 "ZINC01597504_i001_c005" Treating input CT 239 "ZINC01597504_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 239 "ZINC01597504_i001_c006" Treating input CT 240 "ZINC01597504_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 240 "ZINC01597504_i001_c007" Treating input CT 241 "ZINC01597504_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 241 "ZINC01597504_i001_c008" Treating input CT 242 "ZINC01597504_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 242 "ZINC01597504_i001_c009" Treating input CT 243 "ZINC01597504_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 243 "ZINC01597504_i001_c010" Treating input CT 244 "ZINC01597504_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 244 "ZINC01597504_i001_c011" Treating input CT 245 "ZINC01597504_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 245 "ZINC01597504_i001_c012" Treating input CT 246 "ZINC01597505_i001_c001" Total 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 "ZINC01597505_i001_c001" Treating input CT 247 "ZINC01597505_i001_c002" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 247 "ZINC01597505_i001_c002" Treating input CT 248 "ZINC01597505_i001_c003" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 248 "ZINC01597505_i001_c003" Treating input CT 249 "ZINC01597505_i001_c004" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 249 "ZINC01597505_i001_c004" Treating input CT 250 "ZINC01597505_i001_c005" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 250 "ZINC01597505_i001_c005" Treating input CT 251 "ZINC01597505_i001_c006" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 251 "ZINC01597505_i001_c006" Treating input CT 252 "ZINC01597505_i001_c007" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 252 "ZINC01597505_i001_c007" Treating input CT 253 "ZINC01597505_i001_c008" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 253 "ZINC01597505_i001_c008" Treating input CT 254 "ZINC01597505_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 254 "ZINC01597505_i001_c009" Treating input CT 255 "ZINC01597505_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 255 "ZINC01597505_i001_c010" Treating input CT 256 "ZINC01597505_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 256 "ZINC01597505_i001_c011" Treating input CT 257 "ZINC01597505_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 257 "ZINC01597505_i001_c012" Treating input CT 258 "ZINC01597506_i001_c001" Total 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 "ZINC01597506_i001_c001" Treating input CT 259 "ZINC01597506_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 259 "ZINC01597506_i001_c002" Treating input CT 260 "ZINC01597506_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 260 "ZINC01597506_i001_c003" Treating input CT 261 "ZINC01597506_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 261 "ZINC01597506_i001_c004" Treating input CT 262 "ZINC01597506_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 262 "ZINC01597506_i001_c005" Treating input CT 263 "ZINC01597506_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 263 "ZINC01597506_i001_c006" Treating input CT 264 "ZINC01597506_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 264 "ZINC01597506_i001_c007" Treating input CT 265 "ZINC01597506_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 265 "ZINC01597506_i001_c008" Treating input CT 266 "ZINC01597506_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 266 "ZINC01597506_i001_c009" Treating input CT 267 "ZINC01597506_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 267 "ZINC01597506_i001_c010" Treating input CT 268 "ZINC01597506_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 268 "ZINC01597506_i001_c011" Treating input CT 269 "ZINC01597506_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 269 "ZINC01597506_i001_c012" Treating input CT 270 "ZINC01597506_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 270 "ZINC01597506_i001_c013" Treating input CT 271 "ZINC01597507_i001_c001" Total 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 "ZINC01597507_i001_c001" Treating input CT 272 "ZINC01597508_i001_c001" Total 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 "ZINC01597508_i001_c001" Treating input CT 273 "ZINC01597509_i001_c001" Total 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 "ZINC01597509_i001_c001" Treating input CT 274 "ZINC01597510_i001_c001" Total 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 "ZINC01597510_i001_c001" Treating input CT 275 "ZINC01597511_i001_c001" Total 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 "ZINC01597511_i001_c001" Treating input CT 276 "ZINC01597512_i001_c001" Total 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 "ZINC01597512_i001_c001" Treating input CT 277 "ZINC01597513_i001_c001" Total 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 "ZINC01597513_i001_c001" Treating input CT 278 "ZINC01597516_i001_c001" Total 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 "ZINC01597516_i001_c001" Treating input CT 279 "ZINC01597520_i001_c001" Total 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 "ZINC01597520_i001_c001" Treating input CT 280 "ZINC01597521_i001_c001" Total 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 "ZINC01597521_i001_c001" Treating input CT 281 "ZINC01597522_i001_c001" Total 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 "ZINC01597522_i001_c001" Treating input CT 282 "ZINC01600092_i001_c001" Total 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 "ZINC01600092_i001_c001" Treating input CT 283 "ZINC01600093_i001_c001" Total 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 "ZINC01600093_i001_c001" Treating input CT 284 "ZINC01600097_i001_c001" Total 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 "ZINC01600097_i001_c001" Treating input CT 285 "ZINC01603178_i001_c001" Total 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 "ZINC01603178_i001_c001" Treating input CT 286 "ZINC01603179_i001_c001" Total 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 "ZINC01603179_i001_c001" Treating input CT 287 "ZINC01603533_i001_c001" Total 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 "ZINC01603533_i001_c001" Treating input CT 288 "ZINC01603536_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 288 "ZINC01603536_i001_c001" Treating input CT 289 "ZINC01606996_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 289 "ZINC01606996_i001_c001" Treating input CT 290 "ZINC01606997_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 290 "ZINC01606997_i001_c001" Treating input CT 291 "ZINC01621033_i001_c001" Total 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 "ZINC01621033_i001_c001" Treating input CT 292 "ZINC01621112_i001_c001" Total 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 "ZINC01621112_i001_c001" Treating input CT 293 "ZINC01628235_i001_c001" Total 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 "ZINC01628235_i001_c001" Treating input CT 294 "ZINC01641028_i001_c001" Total 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 "ZINC01641028_i001_c001" Treating input CT 295 "ZINC01648332_i001_c001" Total 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 "ZINC01648332_i001_c001" Treating input CT 296 "ZINC01648333_i001_c001" Total 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 "ZINC01648333_i001_c001" Treating input CT 297 "ZINC01648509_i001_c001" Total 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 "ZINC01648509_i001_c001" Treating input CT 298 "ZINC01648509_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 298 "ZINC01648509_i001_c002" Treating input CT 299 "ZINC01648509_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 299 "ZINC01648509_i001_c003" Treating input CT 300 "ZINC01648509_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 300 "ZINC01648509_i001_c004" Treating input CT 301 "ZINC01648509_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 301 "ZINC01648509_i001_c005" Treating input CT 302 "ZINC01648509_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 302 "ZINC01648509_i001_c006" Treating input CT 303 "ZINC01648510_i001_c001" Total 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 "ZINC01648510_i001_c001" Treating input CT 304 "ZINC01648510_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 304 "ZINC01648510_i001_c002" Treating input CT 305 "ZINC01648510_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 305 "ZINC01648510_i001_c003" Treating input CT 306 "ZINC01648510_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 306 "ZINC01648510_i001_c004" Treating input CT 307 "ZINC01648510_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 307 "ZINC01648510_i001_c005" Treating input CT 308 "ZINC01648510_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 308 "ZINC01648510_i001_c006" Treating input CT 309 "ZINC01648510_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 309 "ZINC01648510_i001_c007" Treating input CT 310 "ZINC01648511_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 310 "ZINC01648511_i001_c001" Treating input CT 311 "ZINC01648511_i001_c002" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 311 "ZINC01648511_i001_c002" Treating input CT 312 "ZINC01648511_i001_c003" Total candidate ionization centers: 1 Maximum possible ionization states: 2 (unrestricted) Proceeding with expansion.... Expanded to 2 output CTs (after restrictions imposed) Finished input CT 312 "ZINC01648511_i001_c003" Treating input CT 313 "ZINC01648511_i001_c004" 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 313 "ZINC01648511_i001_c004" Treating input CT 314 "ZINC01648511_i001_c005" 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 314 "ZINC01648511_i001_c005" Treating input CT 315 "ZINC01648511_i001_c006" 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 315 "ZINC01648511_i001_c006" Treating input CT 316 "ZINC01648512_i001_c001" Total 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 "ZINC01648512_i001_c001" Treating input CT 317 "ZINC01648512_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 317 "ZINC01648512_i001_c002" Treating input CT 318 "ZINC01648512_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 318 "ZINC01648512_i001_c003" Treating input CT 319 "ZINC01648512_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 319 "ZINC01648512_i001_c004" Treating input CT 320 "ZINC01648512_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 320 "ZINC01648512_i001_c005" Treating input CT 321 "ZINC01684323_i001_c001" Total 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 "ZINC01684323_i001_c001" Treating input CT 322 "ZINC01688739_i001_c001" Total 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 "ZINC01688739_i001_c001" Treating input CT 323 "ZINC01693574_i001_c001" Total 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 "ZINC01693574_i001_c001" Treating input CT 324 "ZINC01693865_i001_c001" Total 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 "ZINC01693865_i001_c001" Treating input CT 325 "ZINC01711254_i001_c001" Total 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 "ZINC01711254_i001_c001" Treating input CT 326 "ZINC01711254_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 326 "ZINC01711254_i001_c002" Treating input CT 327 "ZINC01711254_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 327 "ZINC01711254_i001_c003" Treating input CT 328 "ZINC01711254_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 328 "ZINC01711254_i001_c004" Treating input CT 329 "ZINC01711254_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 329 "ZINC01711254_i001_c005" Treating input CT 330 "ZINC01711254_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 330 "ZINC01711254_i001_c006" Treating input CT 331 "ZINC01711254_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 331 "ZINC01711254_i001_c007" Treating input CT 332 "ZINC01711254_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 332 "ZINC01711254_i001_c008" Treating input CT 333 "ZINC01711254_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 333 "ZINC01711254_i001_c009" Treating input CT 334 "ZINC01711254_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 334 "ZINC01711254_i001_c010" Treating input CT 335 "ZINC01711254_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 335 "ZINC01711254_i001_c011" Treating input CT 336 "ZINC01719957_i001_c001" Total 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 "ZINC01719957_i001_c001" Treating input CT 337 "ZINC01720402_i001_c001" Total 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 "ZINC01720402_i001_c001" Treating input CT 338 "ZINC01720403_i001_c001" Total 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 "ZINC01720403_i001_c001" Treating input CT 339 "ZINC01756475_i001_c001" Total 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 "ZINC01756475_i001_c001" Treating input CT 340 "ZINC01756476_i001_c001" Total 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 "ZINC01756476_i001_c001" Treating input CT 341 "ZINC01841437_i001_c001" Total 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 "ZINC01841437_i001_c001" Treating input CT 342 "ZINC01841439_i001_c001" Total 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 "ZINC01841439_i001_c001" Treating input CT 343 "ZINC01845868_i001_c001" Total 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 "ZINC01845868_i001_c001" Treating input CT 344 "ZINC01851024_i001_c001" Total 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 "ZINC01851024_i001_c001" Treating input CT 345 "ZINC01851024_i002_c001" Total 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 "ZINC01851024_i002_c001" Treating input CT 346 "ZINC01851871_i001_c001" Total 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 "ZINC01851871_i001_c001" Treating input CT 347 "ZINC01851872_i001_c001" Total 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 "ZINC01851872_i001_c001" Treating input CT 348 "ZINC01859480_i001_c001" Total 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 "ZINC01859480_i001_c001" Treating input CT 349 "ZINC01859480_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 349 "ZINC01859480_i001_c002" Treating input CT 350 "ZINC01859480_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 350 "ZINC01859480_i001_c003" Treating input CT 351 "ZINC01859480_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 351 "ZINC01859480_i001_c004" Treating input CT 352 "ZINC01859480_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 352 "ZINC01859480_i001_c005" Treating input CT 353 "ZINC01859480_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 353 "ZINC01859480_i001_c006" Treating input CT 354 "ZINC01859480_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 354 "ZINC01859480_i001_c007" Treating input CT 355 "ZINC01859480_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 355 "ZINC01859480_i001_c008" Treating input CT 356 "ZINC01859480_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 356 "ZINC01859480_i001_c009" Treating input CT 357 "ZINC01859480_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 357 "ZINC01859480_i001_c010" Treating input CT 358 "ZINC01859480_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 358 "ZINC01859480_i001_c011" Treating input CT 359 "ZINC01859480_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 359 "ZINC01859480_i001_c012" Treating input CT 360 "ZINC01859480_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 360 "ZINC01859480_i001_c013" Treating input CT 361 "ZINC01859480_i001_c014" Total 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 "ZINC01859480_i001_c014" Treating input CT 362 "ZINC01859480_i002_c001" Total 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 "ZINC01859480_i002_c001" Treating input CT 363 "ZINC01859480_i002_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 363 "ZINC01859480_i002_c002" Treating input CT 364 "ZINC01859480_i002_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 364 "ZINC01859480_i002_c003" Treating input CT 365 "ZINC01859480_i002_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 365 "ZINC01859480_i002_c004" Treating input CT 366 "ZINC01859480_i002_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 366 "ZINC01859480_i002_c005" Treating input CT 367 "ZINC01859480_i002_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 367 "ZINC01859480_i002_c006" Treating input CT 368 "ZINC01859480_i002_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 368 "ZINC01859480_i002_c007" Treating input CT 369 "ZINC01859480_i002_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 369 "ZINC01859480_i002_c008" Treating input CT 370 "ZINC01859480_i002_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 370 "ZINC01859480_i002_c009" Treating input CT 371 "ZINC01859480_i002_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 371 "ZINC01859480_i002_c010" Treating input CT 372 "ZINC01859480_i002_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 372 "ZINC01859480_i002_c011" Treating input CT 373 "ZINC01859480_i002_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 373 "ZINC01859480_i002_c012" Treating input CT 374 "ZINC01859480_i002_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 374 "ZINC01859480_i002_c013" Treating input CT 375 "ZINC01859480_i002_c014" Total 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 "ZINC01859480_i002_c014" Treating input CT 376 "ZINC01859480_i003_c001" Total 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 "ZINC01859480_i003_c001" Treating input CT 377 "ZINC01859480_i003_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 377 "ZINC01859480_i003_c002" Treating input CT 378 "ZINC01859480_i003_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 378 "ZINC01859480_i003_c003" Treating input CT 379 "ZINC01859480_i003_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 379 "ZINC01859480_i003_c004" Treating input CT 380 "ZINC01859480_i003_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 380 "ZINC01859480_i003_c005" Treating input CT 381 "ZINC01859480_i003_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 381 "ZINC01859480_i003_c006" Treating input CT 382 "ZINC01859480_i003_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 382 "ZINC01859480_i003_c007" Treating input CT 383 "ZINC01859480_i003_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 383 "ZINC01859480_i003_c008" Treating input CT 384 "ZINC01859480_i003_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 384 "ZINC01859480_i003_c009" Treating input CT 385 "ZINC01859480_i003_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 385 "ZINC01859480_i003_c010" Treating input CT 386 "ZINC01859480_i003_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 386 "ZINC01859480_i003_c011" Treating input CT 387 "ZINC01859480_i003_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 387 "ZINC01859480_i003_c012" Treating input CT 388 "ZINC01859480_i003_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 388 "ZINC01859480_i003_c013" Treating input CT 389 "ZINC01859480_i003_c014" Total 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 "ZINC01859480_i003_c014" Treating input CT 390 "ZINC01859480_i004_c001" Total 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 "ZINC01859480_i004_c001" Treating input CT 391 "ZINC01859480_i004_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 391 "ZINC01859480_i004_c002" Treating input CT 392 "ZINC01859480_i004_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 392 "ZINC01859480_i004_c003" Treating input CT 393 "ZINC01859480_i004_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 393 "ZINC01859480_i004_c004" Treating input CT 394 "ZINC01859480_i004_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 394 "ZINC01859480_i004_c005" Treating input CT 395 "ZINC01859480_i004_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 395 "ZINC01859480_i004_c006" Treating input CT 396 "ZINC01859480_i004_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 396 "ZINC01859480_i004_c007" Treating input CT 397 "ZINC01859480_i004_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 397 "ZINC01859480_i004_c008" Treating input CT 398 "ZINC01859480_i004_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 398 "ZINC01859480_i004_c009" Treating input CT 399 "ZINC01859480_i004_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 399 "ZINC01859480_i004_c010" Treating input CT 400 "ZINC01859480_i004_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 400 "ZINC01859480_i004_c011" Treating input CT 401 "ZINC01859480_i004_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 401 "ZINC01859480_i004_c012" Treating input CT 402 "ZINC01859480_i004_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 402 "ZINC01859480_i004_c013" Treating input CT 403 "ZINC01859480_i004_c014" Total 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 "ZINC01859480_i004_c014" Treating input CT 404 "ZINC01995114_i001_c001" Total 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 "ZINC01995114_i001_c001" Treating input CT 405 "ZINC01995201_i001_c001" Total 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 "ZINC01995201_i001_c001" Treating input CT 406 "ZINC01995208_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 "ZINC01995208_i001_c001" Treating input CT 407 "ZINC01995209_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 407 "ZINC01995209_i001_c001" Treating input CT 408 "ZINC01995283_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 408 "ZINC01995283_i001_c001" Treating input CT 409 "ZINC01996024_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 409 "ZINC01996024_i001_c001" Treating input CT 410 "ZINC02001199_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 410 "ZINC02001199_i001_c001" Treating input CT 411 "ZINC02003775_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 411 "ZINC02003775_i001_c001" Treating input CT 412 "ZINC02006361_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 412 "ZINC02006361_i001_c001" Treating input CT 413 "ZINC02007476_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 413 "ZINC02007476_i001_c001" Treating input CT 414 "ZINC02007598_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 414 "ZINC02007598_i001_c001" Treating input CT 415 "ZINC02007826_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 415 "ZINC02007826_i001_c001" Treating input CT 416 "ZINC02011556_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 416 "ZINC02011556_i001_c001" Treating input CT 417 "ZINC02014879_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 417 "ZINC02014879_i001_c001" Treating input CT 418 "ZINC02015797_i001_c001" Total 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 "ZINC02015797_i001_c001" Treating input CT 419 "ZINC02015898_i001_c001" Total 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 "ZINC02015898_i001_c001" Treating input CT 420 "ZINC02015898_i002_c001" Total 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 "ZINC02015898_i002_c001" Treating input CT 421 "ZINC02015899_i001_c001" Total 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 "ZINC02015899_i001_c001" Treating input CT 422 "ZINC02015906_i001_c001" Total 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 "ZINC02015906_i001_c001" Treating input CT 423 "ZINC02015907_i001_c001" Total 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 "ZINC02015907_i001_c001" Treating input CT 424 "ZINC02016457_i001_c001" Total 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 "ZINC02016457_i001_c001" Treating input CT 425 "ZINC02016458_i001_c001" Total 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 "ZINC02016458_i001_c001" Treating input CT 426 "ZINC02017167_i001_c001" Total 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 "ZINC02017167_i001_c001" Treating input CT 427 "ZINC02018988_i001_c001" Total 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 "ZINC02018988_i001_c001" Treating input CT 428 "ZINC02018989_i001_c001" Total 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 "ZINC02018989_i001_c001" Treating input CT 429 "ZINC02018990_i001_c001" Total 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 "ZINC02018990_i001_c001" Treating input CT 430 "ZINC02018991_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 430 "ZINC02018991_i001_c001" Treating input CT 431 "ZINC02019257_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 431 "ZINC02019257_i001_c001" Treating input CT 432 "ZINC02019745_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 "ZINC02019745_i001_c001" Treating input CT 433 "ZINC02027006_i001_c001" Total 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 "ZINC02027006_i001_c001" Treating input CT 434 "ZINC02027121_i001_c001" Total 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 "ZINC02027121_i001_c001" Treating input CT 435 "ZINC02027364_i001_c001" Total 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 "ZINC02027364_i001_c001" Treating input CT 436 "ZINC02034696_i001_c001" Total 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 "ZINC02034696_i001_c001" Treating input CT 437 "ZINC02034696_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 437 "ZINC02034696_i001_c002" Treating input CT 438 "ZINC02035955_i001_c001" Total 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 "ZINC02035955_i001_c001" Treating input CT 439 "ZINC02035982_i001_c001" Total 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 "ZINC02035982_i001_c001" Treating input CT 440 "ZINC02035985_i001_c001" Total 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 "ZINC02035985_i001_c001" Treating input CT 441 "ZINC02035986_i001_c001" Total 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 "ZINC02035986_i001_c001" Treating input CT 442 "ZINC02036118_i001_c001" Total 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 "ZINC02036118_i001_c001" Treating input CT 443 "ZINC02036773_i001_c001" Total 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 "ZINC02036773_i001_c001" Treating input CT 444 "ZINC02037010_i001_c001" Total 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 "ZINC02037010_i001_c001" Treating input CT 445 "ZINC02037102_i001_c001" Total 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 "ZINC02037102_i001_c001" Treating input CT 446 "ZINC02037154_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 446 "ZINC02037154_i001_c001" Treating input CT 447 "ZINC02037317_i001_c001" Total 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 "ZINC02037317_i001_c001" Treating input CT 448 "ZINC02037317_i002_c001" Total 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 "ZINC02037317_i002_c001" Treating input CT 449 "ZINC02037524_i001_c001" Total 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 "ZINC02037524_i001_c001" Treating input CT 450 "ZINC02037554_i001_c001" Total 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 "ZINC02037554_i001_c001" Treating input CT 451 "ZINC02039267_i001_c001" Total 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 "ZINC02039267_i001_c001" Treating input CT 452 "ZINC02039268_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 452 "ZINC02039268_i001_c001" Treating input CT 453 "ZINC02039716_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 453 "ZINC02039716_i001_c001" Treating input CT 454 "ZINC02039717_i001_c001" Total 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 "ZINC02039717_i001_c001" Treating input CT 455 "ZINC02040890_i001_c001" Total 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 "ZINC02040890_i001_c001" Treating input CT 456 "ZINC02040891_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 456 "ZINC02040891_i001_c001" Treating input CT 457 "ZINC02040945_i001_c001" Total 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 "ZINC02040945_i001_c001" Treating input CT 458 "ZINC02041036_i001_c001" Total 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 "ZINC02041036_i001_c001" Treating input CT 459 "ZINC02041036_i002_c001" Total 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 "ZINC02041036_i002_c001" Treating input CT 460 "ZINC02041088_i001_c001" Total 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 "ZINC02041088_i001_c001" Treating input CT 461 "ZINC02041376_i001_c001" Total 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 "ZINC02041376_i001_c001" Treating input CT 462 "ZINC02143707_i001_c001" Total 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 "ZINC02143707_i001_c001" Treating input CT 463 "ZINC02143710_i001_c001" Total 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 "ZINC02143710_i001_c001" Treating input CT 464 "ZINC02149221_i001_c001" Total 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 "ZINC02149221_i001_c001" Treating input CT 465 "ZINC02150083_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 465 "ZINC02150083_i001_c001" Treating input CT 466 "ZINC02153985_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 466 "ZINC02153985_i001_c001" Treating input CT 467 "ZINC02153989_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 467 "ZINC02153989_i001_c001" Treating input CT 468 "ZINC02154225_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 468 "ZINC02154225_i001_c001" Treating input CT 469 "ZINC02154490_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 469 "ZINC02154490_i001_c001" Treating input CT 470 "ZINC02154493_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 470 "ZINC02154493_i001_c001" Treating input CT 471 "ZINC02157429_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansion.... Expanded to 1 output CT (after restrictions imposed) Finished input CT 471 "ZINC02157429_i001_c001" Treating input CT 472 "ZINC02157432_i001_c001" Total candidate ionization centers: 0 Maximum possible ionization states: 1 (unrestricted) Proceeding with expansio