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-0.1795 1.0681 -0.6346 0.9523 1.8063 2.6823 2.81 2.7922 0.5373 -0.7507 0.826 1.9918 -1.8843 0.2708 -2.9918 2.4274 2.962 -0.2431 -0.3143 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 0325997100000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 64.6377 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.996 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11513181 2 17268341727012012493 11828532 37 16988271110650357363 12156800 1 15547447678013300388 12422481 6 18123461692224385554 12553582 1 18408884031843756196 12633257 1 18335980964592089207 12788726 201 18336836307967969124 12978246 48 18411704313675972001 13075007 39 17823157712274716329 13122387 1 18337381750990678380 13583140 156 17095792270477945363 13965767 371 17916027845866399965 14114211 80 18265635323428729606 14765038 42 18341901817950319296 14840074 17 18408045091766085888 14955137 171 18336837424041969226 15081414 286 18409167689027401758 151778 21 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66 53 22 47 40 73 89 68 88 45 8 48 84 77 87 24 59 37 54 52 93 6 83 86 17 78 90 3 33 2 76 79 82 62 39 74 41 75 80 99 30 15 100 5 69 85 34 51 49 97 72 70 56 7 81 92 96 27 4 10 44 32 20 65 91 64 57 61 94 63 28 50 19 13 18 60 58 36 35 46 16 21 26 55 11 42 38 12 29 9 43 23 14 25 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 33 1 1.5 10 0.06 13 0.36 14 0.36 15 0.14 16 0.57 17 0.3 18 -0.14 2 -0.08 21 -0.02 22 -0.15 23 -0.15 24 0.08 25 -0.15 26 -0.15 27 0.08 28 -0.15 29 -0.11 3 -0.57 30 0.56 4 -0.65 42 0.37 49 0.15 5 -0.65 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 -0.36 7 -0.36 8 -0.85 9 -0.73 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 donor 3 15 19 20 hydrophobe 5 2 21 25 28 29 rings 5 6 7 24 27 30 rings 6 18 22 23 24 26 27 rings 6 8 10 11 12 13 14 rings 30 0 0 0 0 0 0 0 1 2