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-2.4645 -3.3497 -2.4658 -3.3507 -3.6368 -5.2479 -3.6381 -5.249 0.5957 0.5954 -2.3623 -2.3624 6.9424 6.9421 3.9815 3.9802 1.035 -1.0357 -0.1192 0.1219 -0.1278 0.1251 -0.3026 0.302 -0.1265 0.1277 -0.8372 0.8353 -0.261 0.2607 -0.8129 0.8107 -0.1579 0.1589 -0.0305 0.0328 1.0318 -1.0323 -0.0623 0.0648 0.5835 -0.5854 -0.0648 0.0663 -0.0318 0.0317 -0.03 0.0335 -0.0644 0.0631 -0.033 0.0306 -0.2541 -1.8729 0.2515 1.871 -1.1894 0.5567 1.1888 -0.5575 -1.1422 -1.5173 1.139 1.5157 0.754 -1.0245 -0.7527 1.026 1.7601 1.4143 -1.7613 -1.4138 1.2961 0.5708 -1.2988 -0.5728 -0.1437 0.1444 -0.0512 0.0552 -0.0581 0.0546 -0.15 0.1442 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 043450DD00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 119.0291 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 86.317 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10319688 140 18194402422866531693 10411042 1 18410571786133678211 11227688 84 18339627950637210031 117089 54 18411140229477534338 12539747 164 18269002985695071059 12758862 56 18334857213081979227 12841400 136 18410007758792981343 12857493 111 18410295808842259171 13248334 5 18122343750808110880 13692115 27 18272941500748654902 13785724 45 18411136965560001427 15274700 232 18197500610753899271 15324884 4 18054471842860320417 15400415 2 17041760886558040292 15773216 30 18119814861363609620 16087824 20 18050565141710912597 16990366 60 18335136535394344602 16991971 28 18410572898531117343 16992752 21 18338243678693510350 18393751 57 17186164162984744761 19301679 30 18410283714989261930 21130935 74 18048885388754860307 21927370 108 18410865334849371699 22311459 1 18122342372086640064 22899556 105 18338252526441840822 23523766 6 18335138725758080526 24771750 20 17683529811662487692 25242607 90 18341606040358642451 255183 451 18412544344364293902 3103668 31 18263076614142953757 32027 91 18264491861675667195 3383291 50 17907021668877932624 3627633 1 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20 0.09 21 0.55 22 0.55 23 0.1 24 0.1 25 0.28 26 0.28 27 0.4 28 0.4 29 0.09 3 -0.57 30 0.09 31 -0.15 32 -0.15 33 0.08 34 0.08 35 -0.15 36 -0.15 4 -0.57 5 -0.53 6 -0.53 61 0.4 62 0.4 63 0.15 64 0.15 65 0.15 66 0.15 67 0.45 68 0.45 7 -0.81 8 -0.81 9 -0.87 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 17 1 1 acceptor 1 10 cation 1 10 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 donor 1 7 cation 1 8 cation 1 9 cation 1 9 donor 6 1 7 11 15 21 25 rings 6 19 20 23 24 31 32 rings 6 19 20 27 28 29 30 rings 6 2 8 12 16 22 26 rings 6 29 30 33 34 35 36 rings 36 0 0 0 0 0 0 0 1 95