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10010297 198 17905611351635372236 10050765 1 18337953514544402348 10622 236 17981877850884355047 11135609 99 18411418427820771260 11524674 6 17847058874897102151 11756154 67 18408888417078978292 12107183 9 18412543240842762579 12422481 6 17988926720818497798 13383668 251 18336815507768642624 13673619 4 18040437659532751740 13690498 29 17895191065259314804 13782708 43 18040431092321839069 14068700 675 18410295787378083152 14117953 113 18411415095189737919 15001296 14 18117550936894099563 15439362 3 17760641470571173293 15684393 108 16805322176049635306 16112460 7 18339646745212941833 16120349 21 18411984650502160195 16991971 28 18409736132212554100 17492 89 18266176330088254310 19841028 212 18189894396056651491 20028762 73 18413107272848400110 208703 8 18262512710253326179 23522609 53 17899450564731968804 249057 3 18410572868982505441 255183 451 18333454235796888156 2747138 104 18341888542660049336 3383291 50 18201718466602763871 397830 11 18201423827571734288 5104073 3 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2 1.9.0 OEChem openeye.com 2012.11.26 48 1 -0.36 10 0.27 11 -0.06 12 0.03 13 -0.14 14 0.14 15 -0.15 16 0.41 17 0.15 18 0.3 19 0.08 2 -0.57 20 0.27 21 -0.15 22 0.54 23 -0.15 24 -0.15 25 -0.15 26 0.09 27 -0.3 28 0.55 29 0.1 3 -0.66 30 0.27 32 -0.15 33 -0.15 34 0.08 36 -0.15 37 -0.15 4 0.33 42 0.15 49 0.15 5 -0.81 50 0.15 51 0.15 52 0.15 53 0.36 54 0.15 55 0.4 6 -0.9 64 0.15 65 0.15 66 0.15 7 -0.6 70 0.15 71 0.15 8 -0.57 9 0.3 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 10.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 13 1 1 acceptor 1 2 acceptor 1 5 cation 1 6 cation 1 6 donor 1 7 cation 1 7 donor 3 4 8 14 cation 5 4 8 14 27 34 rings 6 1 6 13 16 19 28 rings 6 12 13 15 19 23 25 rings 6 26 29 32 33 36 37 rings 6 4 11 14 17 21 24 rings 37 0 0 0 0 0 0 0 1 3