summaryrefslogtreecommitdiff
path: root/cv/data/csv/MOU_all_pc.csv
blob: 0e86c25a436b94274bd4c6a246a89751f8d0994d (plain)
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InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29,302.498291015625,0.453700035810471,5.0,37.4449653625488,12.4415149688721,-0.72181236743927,1958.09606933594,24.2801055908203,-0.0602688640356064,1828.62280273438,0.0,30.0,16.5048904418945,1377.72412109375,1.76522970199585,34.9688529968262,0.5,0.0,2.75254082679749,1.57439541816711,15.4578189849854,0.566656589508057,81.4495,1.82585322856903,2.16528463363647,1.28462183475494,2.80049991607666,0.580310821533203,0.20412415266037,1.0,1.2650591135025,1.0,9.48271465301514,11.9961700439453,2.0,3.0,7.37846374511719,0.0637918934226036,157.908355712891,0.780256748199463,0.0,4.57038688659668,9.812894821167,-251.223678588867,0.164439022541046,3.88450193405151,51.5334701538086,-20.976318359375,1.74701690673828,4.49806642532349,2.61650419235229,2.0,3.94917154312134,1.6918751001358,106.889099121094,4.33742761611938,4.0,4.20662307739258,46.5299987792969,12.0,0.0,17.3553714752197,0.0,21.8785190582275,0.40036728978157,7.51300716400146,1.24365901947021,3.0,-0.18667434155941,5.0,54.6296882629395,492.942535400391,0.0,11.8021793365479,0.177834123373032,0.489131569862366,322.291839599609,938.585021972656,15.3864774703979,-0.0661138370633125,3.0521,512.748962402344,56.6448135375977,432.0,3.0,21.0889587402344,12.0,7.84280014038086,1.0,5.0,0.546299934387207,0.0,2.48799991607666,0.16666667163372,1101.0400390625,0.0,0.307612746953964,1.0,0.23848395049572,0.869133830070496,0.0555555559694767,0.309684932231903,19.4955654144287,8.0,0.0357467867434025,0.0789166688919067,45.841480255127,2.0,12.7235126495361,0.666666686534882,1.17739188671112,90.2861022949219,6.9837646484375,3.0,0.0,0.226218432188034,5.7443904876709,1078.0,97.011459350586,-0.360011845827103,0.110689125955105,3.49818754196167,0.227272727272727,1.0,38.0,2.89000010490417,1.88724064826965,0.182699471712112,1.39911377429962,0.384947836399078,2.29345321655273,0.0896109864115715,0.789021730422974,0.0,267.662139892578,49.36,0.408807784318924,1.0,31.0361614227295,-425.836059570312,7.51300728407908,25.2801055908203,-35.5558547973633,0.835560977458954,1.36340093612671,0.0,37.6704940795898,190.137344360352
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,5.79837226867676,0.466782182455063,0.0,0.0,1.49313461780548,-0.103130906820297,23.3460159301758,0.0,-0.0584742985665798,0.0,0.0,0.0,1.37341105937958,0.0,49.3531455993652,34.9693794250488,0.0,0.0,1.0,0.0,2.70710682868958,0.634453892707825,16.05,0.0,0.0,0.0,1.00199997425079,10.2631206512451,0.0,2.0,0.0,1.0,0.70710676908493,11.998706817627,0.0,0.0,0.0,1.66731642381457e-10,22.9742393493652,0.0,0.0,0.0,5.86817216873169,-5.07593107223511,0.0,0.0,0.976341962814331,-2.87800717353821,0.710888385772705,0.0,0.0,0.0,0.0,0.0,3.0606415271759,0.0,0.0,4.77382135391235,0.0,2.0,0.0,3.0,0.0,3.69962096214294,0.0278811901807785,2.0,3.47518680499093e-10,0.0,-0.0112892696633935,0.0,14.7388801574707,221.852035522461,0.0,0.0,0.0,0.567934691905975,118.295463562012,49.0160140991211,0.0,0.0,1.3687,26.1362113952637,19.7029590606689,6.0,0.0,6.73031711578369,0.0,1.00400400161743,0.0,0.0,0.533217787742615,0.0,1.54900002479553,0.0,19.0100002288818,0.0,0.59637188911438,0.0,0.0,0.11780920624733,0.0,0.0834903791546822,2.08429956436157,0.0,0.0303369630128145,0.0,7.70037889480591,0.0,2.41835045814514,0.0,0.0,14.7774000167847,1.06290197372437,0.0,0.0,0.631549954414368,0.462910056114197,4.0,0.0,-0.193793177604675,0.0,0.0,0.0,0.0,6.0,1.57000005245209,0.0,0.369666755199432,0.0,0.244198799133301,0.0,0.341068267822266,0.0,0.0,103.556579589844,0.0,0.0,0.0,10.7127532958984,-22.8798027038574,2.0,3.95173740386963,-12.9726419448853,1.0,1.79876053333282,0.0,2.95173740386963,26.2440891265869
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