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2.3.0 OEChem OpenEye Scientific Software 2019.06.18 48 1 -0.36 10 0.03 11 -0.14 12 0.27 13 0.41 14 -0.15 15 0.14 16 0.08 17 0.15 18 0.27 19 0.27 2 -0.57 20 0.3 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.55 26 -0.3 27 0.1 3 0.33 30 0.08 31 0.09 32 0.54 33 -0.15 34 -0.15 35 -0.15 36 -0.15 4 -0.81 41 0.15 48 0.15 49 0.15 5 -0.9 50 0.15 51 0.15 52 0.36 55 0.15 56 0.4 57 0.37 6 -0.6 64 0.15 65 0.15 66 0.15 67 0.15 68 0.15 7 -0.73 8 -0.57 9 -0.06 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 1 acceptor 1 2 acceptor 1 4 cation 1 5 cation 1 5 donor 1 6 cation 1 6 donor 1 7 donor 3 3 8 15 cation 5 3 8 15 26 30 rings 6 1 5 11 13 16 25 rings 6 10 11 14 16 22 23 rings 6 27 31 33 34 35 36 rings 6 3 9 15 17 21 24 rings 36 0 0 0 0 0 0 0 1 5