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Scientific Software 2019.06.18 384.8 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 8 24 25 23 17 22 16 32 29 31 12 13 35 14 19 41 10 27 28 34 5 26 7 33 21 40 9 15 2 3 30 38 37 18 20 6 39 11 36 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 -0.19 10 0.22 11 0.27 12 -0.16 13 -0.33 14 0.45 16 0.57 17 0.06 18 -0.15 19 0.41 2 -0.57 20 0.28 25 -0.15 26 0.26 27 -0.15 28 -0.14 29 -0.15 3 -0.68 30 0.08 31 0.19 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 0.28 4 -0.36 5 -0.51 57 0.15 6 -0.81 61 0.15 62 0.15 63 0.4 64 0.15 65 0.15 66 0.15 67 0.15 7 0.05 8 0.16 9 0.22 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 12 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 cation 1 7 cation 4 5 8 9 10 rings 5 17 21 22 23 24 rings 5 7 12 13 15 18 rings 6 15 18 25 27 29 30 rings 6 28 31 32 33 34 35 rings 6 6 8 11 12 13 14 rings 36 1 1 0 0 0 0 0 1 1