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NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 45.0849 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 35.54 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 17702955854727053625 10316853 100 17603305959780644002 10319926 262 16845572045499543311 10533779 1 8933841467658343510 10554248 39 17704065205571790685 10692045 39 17917999343330089231 10883706 89 18057052307152216659 11408170 132 12757418489355687687 11443803 9 15410605957999682903 11505856 67 11307210012928154704 11638347 137 18335427885686986395 12107183 9 17632576037158375423 12422481 6 17632296735414284268 12616971 3 18202273714940546213 12661589 4 16515675637858988248 12778500 126 15985100782959442574 13533116 47 18410855477624782824 13673619 4 17603586300679681476 13782708 43 17458624545239542531 14251764 30 17748827414838371959 14347424 109 18131627889785895176 14528608 73 12396298123863636166 14556957 393 11241963755685483439 14767858 380 12973607733329354511 15082195 135 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12823286906364598201 46194498 28 16877664565669768414 465052 167 18335701616220483766 5104073 3 17632005468228597495 513202 73 18337105666651812829 5283384 27 10663805383029415034 5385378 56 16414935066992235407 54076057 127 18261116326565285200 5470011 282 8142087542663286681 563151 248 18343302591822852375 58260988 647 18260835843493885906 6058803 2 17271989150225185021 6700243 42 15792567431580301022 70634741 139 9367045776309951597 86090 222 17748827388895047946 9980921 177 16056329327385501031 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 530.8 20.67 2.41 2.18 25.12 0.75 -0.56 13.64 9.77 -6.31 0.47 2.08 0.11 0.39 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1103.535 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 303.9 Conformer RMSD 7 2012.11.26 0.8 Diverse Conformer ID List 6 2012.11.26 1 30 101 51 98 15 61 83 76 35 105 62 20 68 37 57 88 94 43 34 95 69 24 79 53 11 31 50 27 55 106 74 29 91 2 87 26 3 93 21 107 8 71 41 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