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2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.18 10 -0.66 11 0.3 14 0.12 15 0.14 16 -0.14 17 0.57 2 -0.56 21 -0.14 22 0.34 23 0.57 24 0.06 25 -0.15 26 -0.15 27 0.18 28 -0.14 29 0.57 3 -0.57 30 0.06 31 0.3 32 0.3 35 0.08 36 -0.15 37 0.66 38 0.08 39 -0.15 4 -0.57 40 -0.15 41 0.28 42 0.28 5 -0.36 6 -0.65 61 0.15 62 0.15 7 -0.57 72 0.15 73 0.15 74 0.15 75 0.5 8 -0.36 9 -0.48 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 6 7 37 anion 4 12 18 19 20 hydrophobe 6 10 30 31 32 33 34 rings 6 14 16 21 25 26 27 rings 6 28 35 36 38 39 40 rings 6 9 11 13 14 15 16 rings 7 2 9 14 17 21 22 23 rings 42 4 3 1 0 0 0 0 1 2