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0.0846 -0.131 0.951 -2.235 -1.7931 0.6871 1.6563 -0.3464 1.1179 -0.8867 -1.5138 0.557 -0.5035 -1.4809 2.3772 1.895 1.7031 2.3801 1.2228 -0.1575 0.9643 0.2349 1.5335 -0.0444 -1.3285 -2.382 -1.5512 0.1591 -0.2364 -2.0935 0.5352 -1.2935 1.3361 -0.1471 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0377AD1500000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 55.9475 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 35.578 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10162869 55 18131059460255856199 10165383 225 18045230577026658284 10688039 33 18263640667913252740 10693767 8 12035713290209675784 11405975 8 18341333396250500959 11545043 162 17676481723100253245 11646440 116 18336824200507831402 12107183 9 18269001877983775409 12166972 35 18413673495814275642 12403259 118 18060145306497050097 12516196 113 18336825304335414586 12616971 3 18131069368360279607 12633257 1 18201721773215287775 13533116 47 18334860562712811927 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17911197751942721404 345986 75 17972018272630734810 350125 39 18411701006261451973 3552219 110 18131635552940994320 3680242 22 18271815635349127193 4409770 3 17686892822478785948 5385378 56 18267581489444396800 58260988 587 17387431227365471092 6371009 1 17988923341343724065 67856867 119 18271801388852896381 6823239 73 16153709851010679537 7495541 125 18259989275010984854 9962374 69 18338788018274290343 9981440 41 17618769697698624624 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 525.16 14.81 4.31 1.41 20.18 4.1 -0.15 -11.09 -5.9 -7.46 -0.31 0.07 0.3 -0.92 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1047.517 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 310.1 Conformer RMSD 7 2012.02.08 1 Diverse Conformer ID List 6 2012.02.08 1 66 24 33 43 42 20 47 63 40 70 32 13 58 38 49 53 55 25 11 22 65 16 21 5 19 14 50 26 12 17 69 41 29 67 51 30 34 8 37 15 68 45 39 54 3 48 64 18 28 44 10 57 23 36 46 31 59 27 52 4 62 56 35 60 61 9 7 6 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 20 1 1.49 12 0.17 19 0.14 2 -0.5 21 -0.14 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.01 3 -0.68 4 -0.65 5 -0.65 55 0.15 56 0.15 57 0.15 58 0.15 59 0.5 6 0.17 7 0.17 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 7 1 3 acceptor 1 4 acceptor 1 5 acceptor 4 1 3 4 5 anion 6 21 22 23 24 25 26 rings 6 6 8 9 13 14 17 rings 6 7 10 11 15 16 18 rings 26 1 0 1 0 0 0 0 1 1