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-3.9554 -4.154 -0.007 1.2709 3.1344 3.1486 2.1726 -3.5878 -3.5958 -3.7367 0.8333 2.1863 4.3669 -2.6516 2.7781 1.4073 4.5448 -0.9811 -0.7109 1.4305 -2.1143 -3.4951 -2.4337 1.8963 2.0722 1.866 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 039663EA00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 134.8471 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.912 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11285246 1 16769329542955614190 11421498 54 17534069845576031427 11513181 2 17413559802338886391 11578080 2 16700896196835455986 11763715 3 17546126029351081046 12156800 1 18269822259649703696 12788726 201 18412269457935759873 13165053 103 15263169050649111740 13726171 33 18336846216294133473 14028597 1 17969499489075423376 15975801 100 17968928803495986469 16114785 44 15467121129606858057 17809404 112 17699818788781036389 17980427 23 17753606841518521176 18603816 31 14539227393080422358 20764821 26 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50 1 -0.56 10 0.3 11 0.27 12 0.3 14 -0.24 15 0.71 16 -0.05 17 0.42 18 0.05 2 -0.57 20 -0.14 21 -0.15 22 0.28 24 0.41 25 0.27 26 0.26 27 -0.15 28 -0.15 29 -0.15 3 -0.68 30 -0.15 31 -0.14 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 0.08 39 -0.15 4 -0.36 40 -0.15 41 0.28 5 -0.66 6 -0.81 67 0.15 68 0.15 69 0.15 7 0.05 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 75 0.4 76 0.15 77 0.15 78 0.15 79 0.15 9 0.28 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 cation 1 7 cation 5 7 14 16 19 21 rings 6 18 20 27 29 32 34 rings 6 19 21 28 30 33 35 rings 6 31 36 37 38 39 40 rings 41 3 3 0 0 0 0 0 1 1