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-0.1826 0.6257 -2.1142 -1.6874 1.3666 -0.2182 1.3323 -0.1262 -1.7051 1.7641 0.163 -0.9645 -1.3018 -1.1758 1.4335 -1.769 2.5255 -1.937 2.3394 -0.8723 0.8546 -0.6116 1.1419 0.2495 0.2733 -0.2898 0.2789 -0.4433 0.1 -0.2621 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03FB866500000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 79.8482 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 45.703 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 17748825206834993106 10162869 55 16805324427208707415 10533779 47 14635147872322494536 106641 1 13695870333494389958 11061554 47 18408036321691346124 11181472 205 18200036123195525106 11211813 74 18412826885626712140 11315181 36 18131635570157753835 11409948 35 18262519179761489926 11409948 41 15338851816149222852 11456790 92 14851606578724430868 11463208 3 9871459938049966829 11607047 141 18114738215354435602 11638347 137 11530478931059608968 11973864 220 17917155979663906801 12013929 2 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9962374 69 10087630499379938498 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 575.99 41.64 2.14 0.99 15.82 0.73 0.12 30.86 -5.3 -0.95 0.28 1.8 -0.15 0.05 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1233.662 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 315.8 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 137 4 45 61 63 104 58 111 119 12 141 32 129 80 78 8 138 114 97 38 139 79 90 109 142 16 24 70 43 84 23 77 101 121 116 122 44 36 144 53 82 49 56 15 11 27 99 42 54 5 124 40 145 86 67 87 13 72 125 60 2 37 135 128 35 83 133 3 30 75 73 123 146 39 9 132 21 107 22 117 48 62 89 10 50 65 20 33 18 127 102 85 68 19 41 81 147 14 91 93 57 7 26 71 100 110 66 28 131 47 74 120 103 64 115 76 140 92 29 136 52 17 113 69 134 112 98 34 130 95 55 143 108 46 31 59 105 106 25 6 126 88 94 96 51 118 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 34 1 -0.57 11 0.37 12 0.1 13 -0.15 14 -0.15 15 -0.14 16 -0.15 17 -0.15 18 0.14 19 0.06 2 -0.87 20 0.57 21 0.12 23 -0.15 24 0.31 25 0.16 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.55 4 -0.62 43 0.4 44 0.15 45 0.15 46 0.15 47 0.15 52 0.37 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.05.21 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 9 1 1 acceptor 1 2 cation 1 2 donor 1 3 donor 1 4 acceptor 6 12 13 14 15 16 17 rings 6 22 24 26 27 28 29 rings 6 4 21 22 23 24 25 rings 6 5 6 7 8 9 10 rings 29 0 0 0 0 0 0 0 1 3