9266 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 2 3 9 10 4 11 12 5 13 14 6 15 16 7 17 18 8 19 20 8 21 22 23 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 0.023 -1.3736 1.1751 -1.5711 1.9278 -1.3755 1.173 0.0212 0.1744 0.045 -2.0903 -1.6486 1.9065 0.85 -2.6055 -0.9518 2.8234 2.2954 -1.6527 -2.0916 0.8472 1.9032 0.0419 0.174 -1.5851 -1.2951 -1.3033 -0.0009 0.0013 1.2931 1.3045 1.5854 -1.0736 -2.6545 -1.3315 -2.1232 -2.1141 -1.3538 -0.0015 -0.0002 0.0018 0.002 2.1212 1.3275 1.3537 2.1166 2.655 1.0747 -0.6318 -0.0822 0.3328 0.7007 0.0617 -0.0832 0.3337 -0.6317 -1.5874 -0.8826 -0.9121 0.5848 0.2134 1.3776 1.0706 1.6033 0.6969 -0.9723 0.5829 -0.9137 1.3783 0.2154 -0.8817 -1.5875 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000243200000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 12.1397 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18410867559378069396 18185500 45 17619344750421278198 21040471 1 18267019445042707396 21922407 69 15074307036749625039 241688 4 18194399115789056770 5084963 1 18199757005876070450 66348 1 18410571794723417957 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 164.64 2.21 2.09 0.81 0.17 0 0.01 0 -0.32 -0.06 0.29 -0.06 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 305.283 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 101 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 0 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 1.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 0 8 0 0 0 0 0 0 0 1 1