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1.0982 -0.0984 0.9971 2.0532 -0.2516 -1.8078 -1.252 -2.3648 0.6382 1.8729 -0.0648 -0.8211 2.0538 -0.1111 -0.0214 -1.7719 1.3372 -0.8323 -0.598 -0.6779 -1.1162 -0.6374 -2.6177 -4.0343 2.5476 3.0134 2.3413 2.7601 0.7584 -0.3815 0.1107 0.6523 1.2563 2.7413 2.6192 -1.1924 -0.5681 -1.0341 -2.0974 -2.6944 -0.5024 -0.9867 -2.2126 -2.0774 -2.5171 -3.3434 1.5175 1.0538 2.1773 3.0518 -0.6786 -0.0514 -0.0934 -1.4057 0.516 -2.0828 -2.6814 1.2931 1.8671 -1.8346 -0.9537 -0.0619 -1.2199 -1.2189 -1.5465 0.0139 -1.8097 -0.2445 -2.6351 -2.0909 -4.0332 -4.5683 -4.5826 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 035F7BB900000004 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 97.9917 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.77 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10190206 1 17845669156228626096 11135926 11 18271258195485572256 11297010 23 18341621412989892348 11297750 10 13337224952294433672 12522641 33 18408890650419929916 13150687 139 18342186587156071916 13540713 5 17773051755842127697 14040221 97 18190755312890735185 15082195 135 18130795538631629494 15324884 4 17679619750476095234 15439362 3 18267884821193042776 19304671 126 17968929778954942941 20721686 146 16877656872724341260 20775438 99 18342740702019620642 21033648 29 17022908922117135041 21344244 246 18343591720113948194 23569943 247 13393628795504969900 27425 322 17241623895721827392 3388396 114 18202291289889635032 45266715 3 18411710885166085684 5372103 7 18040431122323443293 6058803 2 17699867119446554065 6669772 16 18340222842361975346 9555976 147 13623828158368502081 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 808.31 21.79 5.55 2.71 29.74 3.79 -1.18 -25.36 -19.12 -13.69 -1.94 5.15 -0.14 2.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1684.001 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 454.2 Conformer RMSD 7 2012.01.18 1.4 Diverse Conformer ID List 6 2012.02.08 4 42 52 21 11 50 1 30 57 45 16 36 5 62 46 37 44 40 14 6 43 13 54 25 12 24 48 55 19 8 22 60 53 18 38 33 28 49 39 35 41 27 15 31 23 10 9 47 34 26 32 51 63 61 2 17 29 20 56 58 59 7 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 35 1 -0.56 10 -0.66 11 0.2 13 0.28 14 -0.03 15 0.06 16 0.42 17 -0.29 19 0.57 2 -0.43 20 0.66 21 0.06 23 0.3 27 0.14 28 0.57 29 -0.28 3 -0.57 30 0.14 31 0.3 32 0.3 33 -0.29 35 0.3 36 0.3 37 0.28 38 0.14 4 -0.57 40 0.78 41 0.28 48 0.15 5 -0.57 6 -0.43 7 -0.57 73 0.15 8 -0.47 9 -0.66 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 15.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 acceptor 4 18 24 25 26 hydrophobe 6 1 11 13 14 16 17 rings 6 29 30 33 34 38 39 rings 6 8 11 12 14 15 19 rings 6 9 10 31 32 35 36 rings 42 4 4 0 0 0 0 0 1 2