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Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 82.4621 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.914 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 100830 2 18339368470003515825 12107183 9 18187633684043363682 12788726 201 18340482369628678536 12975358 362 17840040550676281209 13383661 66 12172190278371336429 14294032 229 17847058879724435813 14347329 18 18410007753985837504 14790565 3 18408044026234492076 14849402 71 18046068163814719707 15064981 113 17274837822277147436 15163728 17 17917159312325171599 15183329 4 18187917417898122998 16112460 7 18408884057424143180 17980427 26 18191856847728585647 19302320 297 18261399884111108993 19958102 18 15410630202267252750 21302155 148 18341334397083694237 21458453 9 14707505748729824776 21756936 100 18411415154507455035 22033318 11 18189892007485233656 22122407 14 18261962928426827032 23559900 14 14692007055022477218 249057 25 18265312015222798115 2838139 119 18201714076406883753 3411729 13 18196374724042771977 4058900 60 18259984855505819179 4280585 95 10375867446699640103 5104073 3 17387398263744045346 57724786 102 18187080663837759802 6058803 2 18124572238473464407 636775 72 18269549615231995888 6376802 137 17680722707470113235 6608658 132 18270390737115194061 7288768 16 18040720255769772315 7808743 9 18271801273437463961 7970288 3 9799692580014709665 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 585.07 16.15 5.07 1.68 5.92 3.86 -0.27 19.31 0.11 -5.89 0.67 -0.21 -0.73 -3.79 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1199.429 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338.5 Conformer RMSD 7 2012.11.26 1 Diverse Conformer ID List 6 2012.11.26 1 131 26 75 62 116 48 76 128 28 90 23 20 98 30 2 34 108 38 49 39 132 94 51 21 29 103 33 93 85 27 130 7 60 82 89 64 63 42 17 102 84 15 37 41 73 56 121 126 81 4 13 46 122 50 40 86 127 52 91 69 61 97 68 66 53 45 109 107 35 18 71 16 32 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