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32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 -0.8488 -2.4204 6.6121 -1.2439 -1.185 2.4066 -3.531 -0.0314 1.2079 -1.1501 -0.5053 0.2496 1.1575 -0.0388 -1.5948 -0.8907 2.5532 3.2775 0.0246 -2.4022 -4.7904 3.2345 -2.2177 2.7637 4.6391 -4.9429 -5.9682 -5.4459 -6.0662 4.5958 5.2873 7.2644 -2.1015 -0.9115 0.3462 -0.8674 0.4473 1.1574 -0.105 -1.7775 -2.5372 -1.7826 -0.5727 -0.2735 1.0253 -4.8667 2.7192 -1.8918 -2.4034 -3.1652 3.3976 1.8791 3.3043 -3.4761 5.1278 -5.7028 -4.0182 -5.8503 -6.8878 -4.6143 -6.1692 -7.1036 -5.5032 5.1097 -0.7963 8.3107 7.2664 6.8471 3.9613 2.811 -0.569 1.2074 -3.7648 1.6809 0.9166 -1.0303 -0.1844 -0.0899 -1.6939 -2.1393 1.1986 2.0685 -2.7523 -3.1548 -0.5495 0.6385 2.8534 1.7216 1.2983 -1.7677 -4.7916 3.078 0.6661 0.7549 0.6684 -0.6767 -0.7426 -1.7559 -0.5552 0.6943 -0.6112 0.1637 -2.1786 -0.9338 -1.695 -2.6945 2.7705 -3.2332 -2.2755 -2.6828 -3.9323 2.2518 3.2467 2.3909 -2.7206 -5.5754 -5.2818 -4.3795 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OpenEye Scientific Software 2019.06.18 30 1 -0.68 10 0.3 13 -0.33 14 0.48 15 0.27 16 0.27 18 -0.15 19 0.28 2 -0.57 20 0.69 21 0.3 22 -0.15 23 0.27 24 0.26 25 -0.15 3 -0.36 30 -0.15 31 0.08 32 0.28 4 -0.66 47 0.15 5 -0.81 54 0.37 55 0.15 6 0.05 64 0.15 65 0.4 7 -0.73 8 0.18 9 -0.18 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 5 cation 1 6 cation 1 7 donor 5 21 26 27 28 29 rings 5 6 9 13 17 18 rings 6 17 18 22 25 30 31 rings 6 4 8 9 10 13 14 rings 6 5 8 11 12 15 16 rings 32 1 1 0 0 0 0 0 1 2