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0.1495 1.8583 -0.812 -0.2332 1.2555 -0.9971 -0.4579 1.6124 0.1023 0.0258 0.6517 -1.4363 0.8148 -1.2318 0.9902 -1.362 -1.6865 -0.0096 -1.4259 -0.1061 1.3015 -0.7553 0.836 -1.5105 -0.504 0.0414 -1.6253 -1.3811 0.1493 2.1695 2.2675 1.9192 -2.6664 -2.4827 -2.5101 2.1458 2.3777 2.3032 -1.8917 0.7964 -0.7815 1.7357 1.9084 1.237 -1.0562 -2.0224 -0.5476 -1.5422 -0.3305 1.0433 1.5671 1.7627 2.1637 2.1509 0.8968 -0.6875 -1.246 1.7337 0.5379 -1.5236 -2.0723 -1.8628 1.8487 0.8326 0.3835 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00011F7F00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 187.4335 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 71.187 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10076449 9 18270130015990208438 11456790 92 17988379143808089187 11524674 6 16917348130438626767 11578080 2 16987136439993236978 117089 54 17699864921077984822 11963148 33 18335132107689309034 12166972 35 18272936050182241537 12236239 1 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18412265021820235135 21267235 1 18409173194463318742 21682296 61 18271533008904793943 221357 26 18411419480056018988 22149856 69 18342188738491478408 22393880 68 18187357671521052901 23522609 53 18123502485925067412 23559900 14 18410288129720055425 3004659 81 18187364328656895668 3383291 50 17968382363988136715 34797466 226 12901551217275399155 350125 39 18411419509688396837 3633792 109 18340762642732016413 4073 2 18187090580506179771 4093350 32 16415481589001937904 4325135 7 18333454231669809772 4461854 278 18127708225819169527 46194498 28 18113337531428360820 465052 167 18273218594869228116 484989 97 18409739460923341882 5104073 3 18270674256306511448 54039377 194 18201444606940588646 59755656 215 18334293145677132071 9996256 80 18411982451210028710 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 676.23 16.79 2.91 1.33 2.23 0.36 0.18 7.5 -0.43 0.54 -0.23 -0.25 -0.21 0.56 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1430.221 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 376.7 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 12 1 -0.68 15 0.28 16 0.28 2 -0.68 22 0.28 24 0.28 3 -0.56 31 0.28 4 -0.68 71 0.4 72 0.4 78 0.4 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 4.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 14 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 4 donor 3 18 26 27 hydrophobe 3 31 33 34 hydrophobe 5 6 9 11 14 17 rings 6 3 22 28 30 31 32 rings 6 5 6 7 9 13 15 rings 6 5 7 8 10 12 16 rings 6 8 10 18 19 24 25 rings 34 11 11 0 0 0 0 0 1 1