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-0.1105 1.482 -1.3996 -0.3039 -0.6764 -1.5583 0.6025 0.7601 -1.9437 -0.7919 -2.8349 0.9305 -0.9377 1.6276 -0.1448 -0.1519 2.0544 2.7091 -0.6439 -0.1283 2.9383 -0.7906 0.5668 0.3761 -0.758 0.5994 -0.0631 -2.8448 -0.6532 -1.2395 0.4059 1.1545 -2.3749 -1.0929 -2.6945 0.0449 -0.5811 -1.4804 -3.3832 -2.6265 -3.5128 0.9029 -1.1157 2.238 -0.8451 -1.5609 3.3735 1.1013 1.143 -0.0331 0.5315 -3.1597 -3.0137 -3.4486 -1.3034 0.2094 -0.3213 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 042FB2F100000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 151.4878 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.09 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10165383 225 18340205198789343141 10764073 3 13890181478383996954 11578080 2 18268690870506170328 11582403 64 17313654941390512017 11640471 11 18267891461317768936 12107698 1 17458629973587951685 12156800 1 17469276729104811805 12160290 23 18196680550793448535 12293681 160 17988636355206301632 12788726 201 17274277049402672864 13149001 5 17845359093743611441 133893 2 17691983561230641643 13583140 156 17749400208841024882 13631057 29 17907303500758272494 14114206 34 17560233622570838249 14955137 171 15685384667197962987 15082195 135 17613679693724092365 15463212 79 18260822743685279634 15775530 1 17769352152833684379 17349148 13 17845372150976817508 17980427 23 15897858615007726033 19319366 153 18128821841970611691 20600515 1 17845640478805720704 21033648 29 18335410249839566760 21033650 10 17130171740226221152 23419403 2 17270037572904639080 27425 322 17414750637682236569 3493558 16 17329138075265803085 3552219 110 17116958097061515864 3633792 109 18125712384390110598 376196 1 17532083899911261749 392239 28 15937278637143135825 469060 322 17465968341856260952 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 655.51 7.96 5.1 3.13 6.91 9.82 -2.02 -6.23 4.2 -1.22 -0.88 -0.77 -3.36 -0.64 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1412.915 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 360.5 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 14 10 19 15 8 12 9 18 11 2 16 13 3 7 17 5 4 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 36 1 -0.18 10 0.3 12 0.28 13 0.12 17 -0.14 18 0.57 19 0.08 2 -0.36 20 0.34 21 0.57 22 -0.15 23 -0.15 24 0.06 25 -0.14 26 0.18 27 0.08 28 -0.15 29 0.66 3 -0.56 30 0.08 31 -0.15 32 -0.15 33 0.28 34 0.28 4 -0.57 49 0.15 5 -0.36 52 0.15 53 0.15 54 0.15 55 0.15 56 0.5 6 -0.65 7 -0.57 8 -0.36 9 -0.48 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 6 7 29 anion 4 11 14 15 16 hydrophobe 6 13 17 19 22 23 26 rings 6 2 9 10 12 13 19 rings 6 25 27 28 30 31 32 rings 7 3 9 13 17 18 20 21 rings 34 3 3 0 0 0 0 0 1 2