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-0.1525 -0.2326 0.65 0.7011 -0.7063 0.0395 -0.352 -0.5689 1.222 0.7948 1.4894 -1.5375 0.8059 -1.5486 -0.3881 -1.3761 -1.8982 -1.9636 -2.5084 -0.8756 0.7897 0.3654 -1.9615 -0.3347 1.2371 0.6775 1.819 2.0143 1.1473 0.3053 0.1927 -1.7515 -1.3049 0.2842 -1.0483 2.155 0.5203 1.4466 2.7934 -2.4376 1.7001 -0.4248 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 009AB29300000004 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 76.3173 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 71.139 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 9727630605162302884 10299344 5 17458060465155866863 10369192 42 13984660348184954491 10883706 142 12973602257604845672 11135926 11 18060139813228662695 11672396 167 18267869381730209878 11724838 91 12751235917822555528 11796584 16 18186802508285622586 12082328 90 16877947156931968763 12236239 1 18041002839332997112 12539747 91 17561074796590126608 12788726 201 18335412418597189249 13617811 41 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12 0.27 13 0.28 14 0.28 15 0.28 16 0.3 17 -0.09 18 -0.18 19 -0.2 2 -0.56 20 -0.33 21 0.72 22 -0.11 23 -0.01 24 0.03 25 0.18 26 0.18 27 0.12 28 0.62 29 -0.15 3 -0.68 30 -0.15 31 0.19 32 -0.15 4 -0.57 46 0.37 47 0.27 48 0.4 49 0.15 5 -0.57 56 0.37 57 0.15 58 0.15 59 0.15 6 -0.81 7 -0.73 8 0.03 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 donor 1 8 cation 1 8 donor 1 9 donor 5 8 17 18 19 20 rings 5 9 23 24 27 28 rings 6 2 6 11 12 14 15 rings 6 24 27 29 30 31 32 rings 32 1 1 0 1 1 0 0 1 6