path: root/cv/data/csv/MOU_electronic_cpsa.csv

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InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,-0.0534225665032864,0.0,0.60727858543396,87.1302032470703,134.732437133789,9.90396499633789,0.0,0.117376305162907,-16.8407402038574,26.0414161682129,19.3309383392334,29.8920955657959,0.0196399986743927,47.6022300720215,-11.8524713516235,4.35738182067871,-3.73633122444153,5.77761745452881,42.8821563720703,6.75603485107422,221.862640380859,0.74269026517868,-2.62962055206299,0.966740310192108,16.2098541259766,0.0,59.5255889892578,0.234540984034538,0.392721384763718,5.89416646957397,-0.0759061574935913,1.0
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,4.0,-0.0856614708900452,4.0,0.617599248886108,175.968627929688,284.199493408203,35.0678939819336,138.40739440918,1.1844334602356,-337.473083496094,545.038513183594,80.9751586914062,130.779556274414,0.0589830577373505,108.23087310791,-39.4186782836914,27.1421241760254,-155.294357299805,250.809356689453,882.511596679688,18.3141040802002,321.7607421875,0.190218016505241,-18.1392192840576,12.4899406433105,66.5607986450195,0.300775706768036,3.82453846931458,0.114248722791672,0.382400721311569,0.664710342884064,-0.733369112014771,0.699224293231964
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,1.0,-0.0313066095113754,1.0,0.732660055160522,80.1954345703125,219.780059814453,19.4211368560791,21.3235607147217,0.436849296092987,-47.8166084289551,131.044082641602,24.0566654205322,65.9286346435547,0.0450329780578613,139.584625244141,-9.39121627807617,13.5087890625,-14.3438110351562,39.3100128173828,178.860687255859,9.17886257171631,278.651947021484,0.50722873210907,-2.81713485717773,4.05230569839478,22.9000053405762,0.0710843428969383,10.8159217834473,0.208133935928345,0.267339944839478,4.68722724914551,-0.159401714801788,0.928915679454803
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.0,-0.0655679702758789,0.0,0.555147469043732,163.264801025391,203.744003295898,13.64075756073,0.0,0.211629599332809,-62.2387199401855,77.6699295043945,59.919620513916,74.7758407592773,0.0246663261204958,40.479190826416,-24.0640239715576,9.05275917053223,-22.8421573638916,28.5055465698242,139.908645629883,7.39924192428589,367.008819580078,0.449470728635788,-8.83170795440674,3.32244229316711,33.1167831420898,0.0,31.072717666626,0.199925646185875,0.444852560758591,4.77213048934937,-0.169583722949028,1.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,-0.0506896078586578,2.0,0.676380574703217,161.637298583984,337.829925537109,32.1235160827637,72.5747146606445,0.812003314495087,-194.047592163086,405.569030761719,80.7325286865234,168.734970092773,0.0564813949167728,176.192626953125,-25.317798614502,28.2106056213379,-96.92041015625,202.568435668945,599.616638183594,13.7144842147827,426.892517089844,0.258128225803375,-12.6454105377197,14.0902719497681,53.5284042358398,0.145304262638092,3.52857542037964,0.103372484445572,0.323619425296783,3.07804775238037,-0.388509184122086,0.854695737361908
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,1.0,-0.0572719089686871,0.0,0.639101088047028,112.459060668945,199.149124145508,17.1227588653564,47.3603515625,0.374333441257477,-65.8693771362305,116.645362854004,35.0431632995605,62.0564994812012,0.0552265867590904,86.6900634765625,-17.8463954925537,17.209056854248,-20.5254364013672,36.3476486206055,182.514739990234,7.51724195480347,264.247833251953,0.507710754871368,-5.56108283996582,5.36248302459717,35.0554504394531,0.151986867189407,24.0453586578369,0.255588263273239,0.360898941755295,11.5343952178955,-0.211385250091553,0.848013162612915
InChI%3D1S%2FC10H8Cl8%2Fc1-4-7%282-11%2C3-12%299%2816%296%2814%295%2813%298%284%2C15%2910%289%2C17%2918%2Fh5-6H%2C1-3H2,0.0,-0.12537793815136,0.0,0.198814362287521,361.158935546875,89.6216506958008,40.3743438720703,0.0,0.275977373123169,-501.330474853516,124.405242919922,162.803436279297,40.3997001647949,0.0107959425076842,-271.537292480469,-56.5179405212402,4.86660146713257,-225.990036010742,56.0794677734375,625.735717773438,12.105655670166,450.780578613281,0.124163895845413,-25.4771900177002,2.19376945495605,61.3845443725586,0.0,6.09553146362305,0.163230746984482,0.801185667514801,0.0,-1.11213850975037,1.0
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,3.0,-0.0535752288997173,0.0,0.655470669269562,246.230575561523,468.456268310547,59.7962036132812,89.9936752319336,1.0212504863739,-383.637420654297,729.874267578125,175.977752685547,334.799530029297,0.030085414648056,222.225692749023,-38.2895088195801,21.5016498565674,-274.180633544922,521.631530761719,1113.51171875,34.4417953491211,624.693176269531,0.189779549837112,-27.3650093078613,15.3669462203979,59.7911605834961,0.125920429825783,0.416162371635437,0.166522175073624,0.344529330730438,0.754113256931305,-0.53679096698761,0.874079585075378
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,2.0,-0.0730696022510529,1.0,0.639726758003235,158.370315551758,281.213562011719,24.8899307250977,91.0792007446289,0.639615893363953,-158.342880249023,281.164825439453,69.6170349121094,123.61693572998,0.0475168824195862,122.843231201172,-32.1202201843262,20.8876552581787,-69.6049728393555,123.595520019531,439.507720947266,15.8520698547363,348.504669189453,0.344647526741028,-14.1195297241211,9.18187618255615,53.0078735351562,0.20719413459301,17.7949047088623,0.219496220350266,0.360273271799088,4.79258155822754,-0.360210865736008,0.792805850505829
InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3,4.0,-0.0282136257737875,0.0,0.630675077438354,406.297515869141,693.81103515625,83.0844421386719,57.9091720581055,1.34899187088013,-869.056091308594,1484.03735351562,446.971343994141,763.267395019531,0.0194768495857716,287.513488769531,-31.038049697876,21.4266471862793,-956.056030273438,1632.60217285156,2353.09350585938,69.9395599365234,1042.19934082031,0.132349222898483,-34.1452217102051,23.5716381072998,52.4646987915039,0.0526395104825497,0.633218109607697,0.212210521101952,0.369324922561646,1.11447727680206,-0.789973080158234,0.947360515594482
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,2.0,-0.0496450737118721,0.0,0.633571803569794,217.372802734375,375.847961425781,25.0191020965576,70.2874603271484,0.573686182498932,-196.826568603516,340.322540283203,128.950057983398,222.960830688477,0.0337623097002506,158.475173950195,-29.4504890441895,20.0285034179688,-116.761604309082,201.88639831543,537.149108886719,18.178897857666,522.933288574219,0.343967795372009,-17.4706420898438,11.8813238143921,49.4789924621582,0.118484482169151,5.33871793746948,0.289350479841232,0.366428166627884,2.88459920883179,-0.3317930996418,0.881515502929688
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,0.0,-0.0962279066443443,0.0,0.299490720033646,351.7158203125,150.370071411133,38.8611373901367,0.0,0.375558733940125,-441.048553466797,188.562759399414,176.591552734375,75.4986953735352,0.012591746635735,-201.345748901367,-48.3146781921387,6.32213830947876,-221.444259643555,94.6746978759766,629.611328125,12.778862953186,502.085906982422,0.130952432751656,-24.2581176757812,3.17425656318665,54.6368141174316,0.0,5.72228908538818,0.19543331861496,0.700509250164032,0.0,-0.87843245267868,1.0
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,0.0,-0.113988116383553,0.0,0.224597588181496,409.531219482422,118.621925354004,39.0407562255859,0.0,0.269523441791534,-491.449005126953,142.349655151367,216.295196533203,62.6505432128906,0.0123744057491422,-290.909301757812,-60.2031784057617,6.53558111190796,-259.560333251953,75.1824188232422,633.798645019531,9.9192419052124,528.153137207031,0.13970097899437,-31.7964992523193,3.45178771018982,66.7387619018555,0.0,7.44346570968628,0.191200703382492,0.775402426719666,0.0,-0.930504739284515,1.0
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,1.0,-0.0262524429708719,0.0,0.603143334388733,164.904449462891,250.622055053711,27.5543441772461,11.7809724807739,0.416870027780533,-113.975761413574,173.220550537109,68.5221710205078,104.140113830566,0.0389786064624786,85.7176055908203,-10.9085855484009,16.1966457366943,-47.3599510192871,71.9777297973633,287.196319580078,10.065655708313,403.745544433594,0.372646331787109,-4.53280687332153,6.73013544082642,27.1052303314209,0.0283519141376019,4.39013624191284,0.193317487835884,0.396856635808945,4.75555562973022,-0.274292379617691,0.971648097038269
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,0.0,-0.0636755302548409,1.0,0.543494284152985,249.19758605957,296.682983398438,33.1967239379883,79.1280975341797,0.512726366519928,-235.090179443359,279.887359619141,136.032119750977,161.953475952148,0.0408003218472004,47.4853858947754,-34.7592353820801,22.272102355957,-128.331161499023,152.785064697266,514.9775390625,12.4452772140503,466.752471923828,0.381714940071106,-18.9743900299072,12.1579074859619,57.0313377380371,0.144954964518547,21.067626953125,0.230868622660637,0.456505686044693,5.52608442306519,-0.430662274360657,0.855045020580292
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InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,3.0,-0.0596805922687054,0.0,0.741299152374268,77.3148422241211,221.543243408203,15.3763437271118,80.4267196655273,0.488572031259537,-50.9563102722168,146.013702392578,23.106164932251,66.2099914550781,0.0419755950570107,144.228408813477,-17.8360271453857,12.5447463989258,-15.228705406189,43.6373748779297,196.970016479492,11.6836557388306,218.431365966797,0.428994536399841,-5.33044099807739,3.749098777771,30.3807735443115,0.269113421440125,22.0644035339355,0.316717892885208,0.258700847625732,5.05985832214355,-0.170503363013268,0.730886578559875
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InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,4.0,-0.034205000847578,0.0,0.618507623672485,390.535919189453,633.169677734375,50.5798606872559,151.72477722168,0.968860268592834,-611.75439453125,991.827697753906,399.793823242188,648.179382324219,0.0463066063821316,242.6337890625,-35.0158500671387,47.4043350219727,-626.256408691406,1015.33959960938,1603.58203125,26.4201393127441,871.980834960938,0.177294686436653,-35.8459243774414,48.5280838012695,82.4201889038086,0.1482113301754,4.98351240158081,0.149024114012718,0.381492406129837,2.55420112609863,-0.597588181495667,0.851788699626923
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