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Scientific Software 2019.06.18 44 1 -0.57 11 0.37 12 0.37 13 0.57 14 0.41 15 -0.15 16 0.09 17 0.12 18 0.16 19 -0.15 2 -0.57 20 0.54 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.12 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 -0.15 31 0.08 32 0.28 4 -0.84 43 0.37 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.55 50 0.15 51 0.37 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.62 7 -0.55 8 0.06 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 5 donor 1 7 donor 3 4 6 14 cation 6 17 21 22 23 24 25 rings 6 26 27 28 29 30 31 rings 6 4 8 9 10 11 12 rings 6 6 14 15 16 18 19 rings 33 0 0 0 0 0 0 0 1 4