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10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 -1.3853 -0.5197 0.9312 1.5618 3.0745 -2.7454 -0.7924 0.6876 3.8192 -1.3545 1.7438 -2.8087 3.224 3.7179 -1.4775 -3.9764 5.3368 3.2128 5.2381 5.9367 -5.2801 -3.8158 -6.5332 -7.7952 -0.4814 0.9359 1.5473 -2.6925 -0.8678 -1.2988 0.7521 1.0682 3.675 -1.1174 -1.1939 1.3426 1.6471 -3.3984 -3.2663 3.7565 3.3544 3.49 3.2853 -1.9614 -2.0475 -0.4965 -4.095 5.5771 5.8112 2.7249 2.7734 4.2565 5.6249 5.4885 7.0049 5.861 -5.2184 -5.3907 -3.152 -3.4516 -4.7406 -6.5913 -6.5296 -7.8976 -7.7819 -8.6796 -0.128 1.0444 0.9729 -0.3645 -0.4953 0.2836 -1.4286 -1.5944 0.7639 2.2779 2.187 1.8104 2.0737 -1.7481 -0.2212 -0.4483 0.7077 -0.6279 -1.8205 -0.5481 0.0269 -1.9582 -0.6569 -0.1085 0.9929 0.991 -0.3139 0.1323 -1.4373 -2.3252 -1.8073 -2.4839 0.7775 3.1213 2.6062 3.1051 2.2969 2.068 2.3157 2.9273 2.1511 -1.7514 -2.6671 0.6554 -1.0988 -0.3085 -0.2693 0.7463 1.587 0.187 -1.5647 -0.6338 -2.6739 -2.0149 -0.6052 -0.4757 -0.1467 1.109 -2.3933 -2.1925 -2.5192 -0.5121 -1.7325 0.9652 -0.2696 -0.6088 0.2739 -0.2369 0.2518 -0.2567 0.1587 -0.3412 -0.2863 0.1047 -0.3912 0.0942 -0.2206 -0.1011 0.1375 -0.5013 1.8178 0.1742 -0.1671 1.6971 -0.33 -0.7936 -0.5 -0.0392 0.0522 -0.5967 -1.3383 1.3461 -1.3574 -1.4305 -1.3813 0.0686 1.1762 -0.4099 -1.4832 -0.5622 1.1271 0.2245 -1.3085 0.786 -0.959 -0.2995 1.2229 -1.5754 -0.0886 2.2602 2.1371 2.2924 1.2504 0.9011 -0.6202 2.2372 2.0553 2.0231 -0.8996 0.719 -0.5555 -1.8859 -1.5821 -0.3624 0.7089 -1.0448 0.1006 1.1369 -0.1381 -0.4099 -1.6795 -0.1894 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0068A33A00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 79.2797 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 30.538 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 18339070593395248704 10366900 7 17748832890879522064 10411042 1 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22393880 68 18188202100914970364 23402539 116 18412822521111953039 23522609 53 18126317239797211489 23557571 272 18059860519504474573 23559900 14 18337669822995003049 2871803 45 18261109668769617552 29717793 49 18202286909069646949 3004659 81 18261108586617232949 335352 9 18411138056645335583 34797466 226 17417816162737845052 350125 39 18411983542184774653 3545911 37 18408603677536582885 4073 2 18041564766156144843 4214541 1 18411421670246896276 4325135 7 18272932722025315367 4340502 62 16298381379174699786 46194498 28 17748827449103561868 465052 167 18343306984803587463 5104073 3 18342174423813873904 5283173 99 18187075110514079453 59755656 215 18335421248955088159 59755656 520 16877938373929837075 9709674 26 18334862770125522722 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 493.91 14.8 2.17 0.97 14.67 0.55 -0.41 -4 3.32 -1.06 0.13 -0.25 -0.14 0.19 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1024.664 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 278.4 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 5.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 6 1 22 hydrophobe 1 24 hydrophobe 5 1 2 6 10 12 rings 6 1 2 3 4 7 8 rings 6 3 4 5 9 11 13 rings 6 5 9 14 17 19 20 rings 24 8 7 1 0 0 0 0 1 1