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Software 2019.06.18 42 1 -0.08 10 0.22 11 0.22 12 0.27 13 -0.16 14 -0.1 15 -0.33 16 0.45 17 0.63 18 -0.2 19 -0.2 2 -0.57 21 -0.15 22 0.45 23 0.28 24 -0.15 25 -0.15 26 0.2 27 -0.15 28 0.08 29 -0.11 3 -0.68 30 0.08 31 0.28 38 0.1 4 -0.36 40 0.1 41 0.1 42 0.1 43 0.1 44 0.27 49 0.15 5 -0.51 50 0.15 51 0.15 52 0.4 53 0.15 54 0.15 6 -0.81 7 0.03 8 -0.57 9 0.16 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 cation 1 7 cation 1 7 donor 1 8 acceptor 4 5 9 10 11 rings 5 1 8 26 29 30 rings 5 7 13 15 20 21 rings 6 20 21 24 25 27 28 rings 6 6 9 12 13 15 16 rings 31 1 1 0 0 0 0 0 1 1