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Scientific Software 2019.06.18 319.2 Conformer RMSD 7 2012.02.08 0.8 Diverse Conformer ID List 6 2012.02.08 1 22 5 20 19 11 6 18 3 16 14 12 15 24 23 21 17 9 8 13 2 7 10 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 30 1 -0.18 11 0.26 13 0.13 14 -0.15 15 0.23 16 0.05 17 -0.15 18 0.1 19 -0.15 2 -0.56 20 -0.15 21 -0.15 22 0.37 23 0.37 24 -0.15 25 -0.15 26 0.18 27 0.28 28 0.28 29 -0.15 3 0.05 4 -0.57 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.84 51 0.15 52 0.15 57 0.15 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 8 1 2 acceptor 1 5 cation 3 3 4 13 cation 5 3 4 13 14 15 rings 6 14 15 17 19 26 29 rings 6 16 18 20 21 24 25 rings 6 2 5 22 23 27 28 rings 6 6 7 8 9 10 12 rings 29 0 0 0 0 0 0 0 1 1