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-0.9206 -1.5006 -0.8572 -1.4852 1.3759 2.3007 0.8134 -0.5913 1.4791 -0.644 1.416 0.9977 -1.8026 1.2854 -1.0604 -3.736 1.9228 1.5985 -0.6053 2.4685 1.5293 0.0098 2.1352 1.6371 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0123F90400000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 136.2609 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 61.041 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10076449 9 12107790714343424713 10319926 262 18342747329527782820 11049842 53 18193024580288954535 11103572 155 18336830802300079678 11387372 6 18260267434373527122 11445158 3 14057586577293272526 12128747 34 18201722803959855622 12717326 25 18194420917381357066 12988421 55 18195810657298224617 13009979 54 17897732200076933631 13583140 156 17916864737339602752 14150023 24 18192426369060603697 14844126 61 18339360889623082683 14856354 85 18408324401926091188 15021287 119 17458068157579717444 15230672 131 18265052440996863066 15347590 135 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-0.57 10 0.41 13 0.1 14 -0.15 15 -0.15 16 0.1 17 -0.14 18 -0.15 19 -0.15 2 -0.6 20 0.41 21 0.41 22 -0.15 23 -0.15 24 -0.15 25 0.47 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.62 30 0.16 31 -0.15 4 -0.62 41 0.15 42 0.15 43 0.15 44 0.15 45 0.4 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.9 50 0.4 51 0.4 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 6 -0.62 7 0.14 8 -0.14 9 0.51 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 7 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 12 1 2 cation 1 2 donor 1 5 cation 1 5 donor 1 6 acceptor 3 1 3 10 cation 3 3 4 25 cation 3 7 11 12 hydrophobe 6 17 22 23 26 27 28 rings 6 3 4 10 16 20 25 rings 6 6 21 24 29 30 31 rings 6 8 13 14 15 18 19 rings 31 0 0 0 0 0 0 0 1 6