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-0.6934 -0.4155 -1.6762 1.6554 -1.6801 1.6155 -0.752 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 005093C000000003 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 102.6358 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 91.444 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 12319733665648912666 10319926 262 14979965778027496187 10411042 1 18336835212629573608 10622 236 18342457049472553897 10670039 82 14996273708747435023 11135609 149 18338220652825444012 11135609 201 8286189561625653125 11135926 11 18193001645586125196 11227688 84 18119533137664385122 11410812 94 16081363000639005526 11497681 19 18270970034473961310 11991303 11 17900819345112876645 12107183 9 18269292196440645201 12166972 35 18041003946659340326 12342043 65 17316225780666376571 12422481 6 17131558249572666126 12633257 1 15841551911536921721 13009979 54 18130797745353302601 13540713 5 18267328498263882888 13782708 43 17895471539972882019 15163728 17 13118283616516879504 15183329 4 15791728573254247330 15320294 125 17418098741362714031 16992828 155 14869860297202559715 17686467 74 18340762668902312018 1813 80 18201445804286696701 18222031 100 18411978053495697346 19315092 285 17917991694172287488 19841028 212 18057877129952615991 20028762 73 18130790049231188118 20775438 99 18122049077729404378 208703 8 18410856521566040678 21033650 10 15864067641868115109 21703447 108 18409720777810421168 22393880 68 17458335355942308563 23522609 53 17983333458155969856 23536364 44 18114454561615384637 23559900 14 18188496881737281248 23569914 152 17976505401184846711 2838139 119 12901547966159411206 312425 54 15410895137183020742 34797466 226 16516532260433014397 3882209 13 17174866780236959922 437795 70 15068627054597596774 44802255 64 14346950512217520122 46194498 28 17241611804254902348 513202 73 18270964544334450135 6034566 193 9799393555980384562 6058803 2 18057343871092307593 613672 6 18334562552127960032 6431902 208 18337112255210902410 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0.28 14 0.28 15 0.56 16 0.28 17 0.08 18 -0.15 19 -0.15 2 -0.36 20 0.08 21 0.09 22 0.08 23 0.47 24 0.05 25 -0.14 26 0.03 27 -0.15 28 -0.15 29 -0.15 3 -0.68 30 -0.15 31 0.08 39 0.4 4 -0.68 40 0.4 41 0.4 42 0.4 43 0.15 44 0.15 45 0.15 46 0.45 47 0.15 48 0.15 49 0.15 5 -0.68 50 0.15 51 0.45 6 -0.68 7 -0.16 8 -0.53 9 -0.57 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 5.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 18 1 1 acceptor 1 10 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 acceptor 1 8 donor 1 9 acceptor 6 1 11 12 13 14 15 rings 6 17 18 19 20 21 22 rings 6 26 27 28 29 30 31 rings 6 7 20 21 23 24 25 rings 31 5 5 0 0 0 0 0 1 21