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0.6312 -1.0817 1.5751 2.5758 0.7593 2.8846 0.1119 0.3929 -1.0511 -2.0812 0.7393 0.3283 -0.1043 0.0627 1.0361 -0.414 -1.1396 0.1141 1.0518 0.1732 0.0562 0.3113 0.2548 -0.9297 -0.9986 1.4142 0.1045 1.4833 0.0272 -0.0387 -0.1434 -0.0978 0.5325 -0.1729 0.4574 -0.0625 -0.1949 -0.2763 -0.3005 -0.2229 -3.3078 0.5596 1.402 1.9121 -0.8371 0.4168 -1.19 -1.6072 -0.835 -1.9217 1.7128 1.4459 1.8901 0.7357 -0.9558 0.5895 -1.937 2.4499 -0.3259 0.8093 -0.4785 0.6816 0.0223 -0.3592 -0.4014 0.7922 -0.6519 -0.8391 -4.1184 -3.4173 -3.4286 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03F7518D00000002 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 122.6968 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 60.979 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10168742 298 17749116581870258507 10209105 3 18411133602453207835 10533779 47 18060699515669863347 10930396 42 13901904501555770459 11386260 185 16732987569812070660 11409948 35 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16 0.51 17 0.08 18 0.1 19 0.08 2 -0.08 20 -0.15 21 0.18 22 0.05 23 -0.15 24 0.33 25 0.04 26 0.23 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 -0.15 31 -0.15 32 -0.14 33 -0.15 34 -0.15 35 0.14 36 0.28 4 -0.57 46 0.37 5 -0.36 51 0.4 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.73 60 0.15 7 -0.87 8 -0.57 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 1 8 acceptor 4 9 10 11 12 hydrophobe 5 2 8 24 25 26 rings 6 15 17 19 20 21 23 rings 6 18 22 27 28 29 30 rings 6 25 26 31 32 33 34 rings 36 0 0 0 0 0 0 0 1 6