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-1.0235 0.0459 -1.0149 -0.6997 -2.3922 -1.3264 -3.3198 -1.6734 -2.7223 -3.3023 -3.9386 -2.764 1.6985 2.1897 3.4043 1.3101 1.1879 -0.271 -2.1228 -2.7144 -1.1771 -3.6668 -3.0099 -3.3353 -1.9706 -0.3661 -0.879 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 043E632300000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 150.7059 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.845 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10169797 241 17677062260818521369 11181472 205 18410017616391856525 11443803 9 18191026910202950244 11621639 208 17823970135752764517 11719270 70 18410005576859086465 11763715 3 17702683033160392673 12522641 126 18411992346704143366 12660671 118 17894916231135291636 13636023 20 17973460806195733134 13692114 37 18199183082603156066 14118638 360 18059859472397618001 15082195 135 18409457998319693815 15324884 4 17977924814777567636 15484559 13 18338517568072219132 15705408 1 18047503078292151100 15775530 1 17544456571826535656 15968369 26 18335149733965676898 19315092 285 17703226196494815379 19841028 212 18272369751304705899 20771845 35 18198336256654248794 20775438 99 18410014377152974507 21133410 171 16955049116655150747 21647283 7 7853583461595394391 22149856 69 18271538559152177283 23559900 14 18263096434794220545 27425 322 16809282798007547476 44880568 143 18113609059920203533 6441014 3 17405990657220306791 9831232 110 18336261229290108967 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 815.16 20.18 5.83 3.24 78.48 4.78 1.44 2.7 -5.63 -13.49 -4.75 -5.48 -0.72 -0.71 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1710.518 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 460.3 Conformer RMSD 7 2012.11.26 1.2 Diverse Conformer ID List 6 2012.11.26 1 19 16 60 69 37 58 65 32 63 67 43 50 62 29 8 61 35 7 9 56 14 22 55 45 15 20 44 36 64 34 46 49 23 47 53 2 18 42 68 27 57 41 33 24 17 59 6 30 54 25 40 26 28 52 38 31 13 39 48 11 66 5 51 21 3 10 4 12 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.18 10 -0.48 14 0.3 15 0.3 16 0.06 17 0.34 18 0.57 19 0.06 2 -0.56 21 0.3 22 0.57 23 0.57 24 0.12 25 -0.14 26 0.66 3 -0.57 30 -0.14 31 -0.15 32 -0.15 33 -0.15 34 0.08 35 0.18 36 -0.15 37 0.08 38 -0.15 39 -0.15 4 -0.57 40 0.28 41 0.28 42 0.28 5 -0.43 6 -0.57 69 0.15 7 -0.36 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 8 -0.36 9 -0.66 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 13 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 4 20 27 28 29 hydrophobe 6 24 25 31 32 33 35 rings 6 30 34 36 37 38 39 rings 6 9 11 12 13 14 15 rings 7 2 10 17 22 23 24 25 rings 42 2 2 0 0 0 0 0 1 2