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Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10190206 1 18048594017006876772 10673678 19 18409455760552049157 11297750 10 17193200458177635496 11445158 3 18116703033230609142 11719270 70 18340478981215597049 11763715 3 17115535955738079559 11991303 11 18263935499663072372 12788726 201 17976250567616349066 13008946 62 17827954967517787077 13150687 139 18337969939000262396 13540713 5 17971735908785379536 13911987 19 18412270557949294569 14068700 686 18188209793740247581 14294032 229 18192157211495911128 14790565 3 18411419552864871141 15198563 99 17546735210368711950 15324884 4 17541623190596650736 15392192 104 18337121129288342289 16090146 7 18272944799731847546 18365409 1 18195251250628649309 19319366 153 18201707423950896303 1979834 28 18336547114950468201 20505436 4 18041279980419018848 21304303 94 18271539623839913948 21365058 27 18339935899891825733 21781055 127 18201726107143719272 22149856 69 18341900633261967801 22311459 1 18195529190362776903 239999 70 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15 0.27 18 -0.15 19 0.28 2 -0.57 22 0.69 25 -0.15 26 0.26 27 -0.15 28 -0.15 29 0.08 3 -0.36 30 0.12 31 -0.15 32 -0.15 33 0.28 34 -0.15 35 -0.15 36 -0.15 4 -0.81 5 -0.51 57 0.15 6 0.05 61 0.15 62 0.15 63 0.37 64 0.4 65 0.15 66 0.15 7 -0.55 70 0.15 71 0.15 72 0.15 8 0.16 9 0.27 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 cation 1 6 cation 1 7 donor 4 5 8 10 11 rings 5 16 20 21 23 24 rings 5 6 12 14 17 18 rings 6 17 18 25 27 28 29 rings 6 30 31 32 34 35 36 rings 6 4 8 9 12 13 14 rings 36 1 1 0 0 0 0 0 1 2