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0.4345 -0.3316 0.6949 0.741 0.9904 -0.6198 -0.3704 -0.1918 -1.5062 -1.8737 -0.5288 1.4748 0.1444 -0.3467 0.9886 0.7172 -0.5875 -1.6207 -0.2573 1.187 1.3022 -2.0507 -2.0193 1.2485 1.9345 -1.9946 -1.4055 2.4072 1.3445 1.0983 -0.1661 -0.2033 1.2078 1.1971 1.6259 -1.2543 -0.8116 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00377E0200000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 82.5231 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 35.522 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 100830 2 18334866029795243300 10917259 69 18410579471091103300 11135609 201 18118121596229934506 11374522 155 18266463101894726001 12013929 29 18412830192361971620 12422481 6 17386003919100639495 12633257 1 15068899841166878614 13782708 43 12035718834658629904 13885169 86 18267023860912873921 13944108 23 17982731874659938513 14211702 104 9222967984081110632 14251764 75 18409731729380484669 14429114 114 18337105782373219476 14790565 3 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6673363 416 17906460183549901446 7970288 3 8934416524769715081 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 605.65 20.11 8.02 1.14 2.47 11.73 0 32.07 0.03 -0.33 1.58 -0.14 0.07 -3.6 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1285.455 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 338.8 Conformer RMSD 7 2009.12.11 1.2 Diverse Conformer ID List 6 2012.02.08 1 25 18 13 17 12 24 2 23 7 30 10 26 28 15 21 6 9 4 20 5 29 3 8 14 11 16 22 19 27 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 36 1 -0.57 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.09 16 0.09 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 23 0.09 24 0.09 25 0.4 26 0.4 27 -0.15 28 -0.15 29 -0.15 3 0.14 30 -0.15 4 0.14 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 50 0.15 57 0.15 58 0.15 59 0.15 60 0.15 7 -0.14 8 -0.14 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 10 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 7 1 1 acceptor 1 2 acceptor 1 21 hydrophobe 1 22 hydrophobe 6 23 24 27 28 29 30 rings 6 7 11 13 15 17 19 rings 6 8 12 14 16 18 20 rings 30 0 0 0 0 0 0 0 1 1