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4.2987 3.2648 4.0268 -0.0823 -0.7014 -2.3238 -2.9501 -1.6799 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0047CBE000000003 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 99.9057 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 66.097 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10675989 125 18410577297215360252 11049842 53 18268414906193299936 1200032 147 18260830448751529456 12522641 126 18412260623151225428 12660671 118 17968362469293068936 14017579 153 18187925140276656932 14020679 6 18262516988526465651 14068700 675 17630033868050204091 14849402 71 18340486648006767027 14856354 85 16228012759794375104 14955137 171 17987515897266499035 15064986 96 18114184163702189705 15439362 3 18408041827131862084 15849732 13 17701808904848506975 15927050 60 18268151048935839958 17980427 23 17416391066750546463 20642791 178 18342730832105393347 21057603 95 18339654339079598560 23523788 1 17100909534694959330 23559900 14 18271231734973062675 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1.7.6 OEChem openeye.com 2012.02.08 40 1 -0.16 10 0.3 11 -0.12 13 0.09 14 0.27 15 0.62 16 -0.14 17 0.47 18 0.27 19 0.27 2 -0.56 20 0.09 21 0.08 22 0.28 23 0.28 24 -0.15 25 -0.15 26 -0.15 27 0.08 28 -0.15 29 -0.15 3 -0.57 30 -0.14 31 0.08 32 -0.14 33 0.14 34 0.14 35 0.28 38 0.28 4 -0.57 5 -0.36 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.36 60 0.15 7 -0.66 8 -0.81 9 0.58 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 12.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 13 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 40 hydrophobe 1 5 acceptor 1 6 acceptor 1 8 cation 5 7 9 11 13 15 rings 6 1 11 13 17 20 21 rings 6 16 24 25 27 29 31 rings 6 2 8 18 19 22 23 rings 6 20 21 26 28 30 32 rings 40 1 0 1 0 0 0 0 1 1