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-1.1025 -0.5124 1.7753 1.2571 -1.0831 0.0967 0.5212 0.5749 -1.604 -1.4733 -1.1714 -2.1662 -1.5691 2.0243 1.3667 0.9019 1.1017 -0.5246 -0.0113 0.3161 1.1543 2.1497 -2.0296 -0.2127 -0.6147 -1.5111 1.5363 2.246 2.5094 2.1824 -1.99 1.011 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 03424C3700000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 119.8627 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.875 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10050765 1 18339078302202655104 10319926 262 18341601625452787960 10411042 1 18195526120173128527 1100329 8 18341891883290186496 11545043 162 18273208716512895690 11991303 11 18113892720528514669 12107698 1 18336265755473683442 12166972 35 17677331752657018078 12236239 1 18113900443111522172 12422481 6 17774457095343802559 12788726 201 18261957456665053979 13073987 5 18336823191279628536 13140716 1 18413107281960606841 13540713 4 18198324329514892993 13726171 33 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18336836398051200779 5265222 85 18200876292583037614 5385378 56 18055641607272827649 59755656 215 18199463269031753308 7226269 152 17917143893139936664 9896288 288 18411422782723034771 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 623.33 15.49 4.75 1.11 22.64 1.37 -0.14 5.03 -1.87 -10.85 -0.64 -0.23 0.27 0.78 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1366.473 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338.3 Conformer RMSD 7 2011.09.13 0.8 Diverse Conformer ID List 6 2012.02.08 1 7 14 11 10 5 13 4 12 3 9 2 8 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 -0.36 10 -0.14 11 0.08 12 0.03 13 -0.29 14 0.08 15 -0.18 16 0.28 19 0.05 2 -0.23 20 -0.01 21 -0.29 22 0.71 23 0.03 24 -0.28 25 0.28 26 -0.15 27 -0.15 28 0.14 29 0.14 3 -0.36 30 -0.15 31 -0.15 32 0.08 33 0.15 34 0.15 4 -0.53 43 0.15 44 0.45 48 0.15 49 0.15 5 -0.57 56 0.15 57 0.15 58 0.45 6 -0.53 7 0.42 8 0.08 9 0.03 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 4.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 3 acceptor 1 4 donor 1 5 acceptor 1 6 donor 3 24 28 29 hydrophobe 3 7 17 18 hydrophobe 6 1 7 8 9 13 15 rings 6 2 11 12 19 20 22 rings 6 23 26 27 30 31 32 rings 6 8 9 10 11 12 14 rings 32 0 0 0 0 0 0 0 1 8