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

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InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,6.0,20.23,0.430031776428223,0.0,0.489685505628586,10.2996845245361,9.1254653930664,21.0,3.75148339060161e-08,11.1922044754028,49.1655769348145,48.3219299316406,0.770199954509735,0.0,6.55404186248779,7.47213220596313,-0.756983876228333,0.0,0.226349651813507,-0.110702261328697,14.3947925567627,-0.00179769203532487,1.15470051765442,6.18343162536621,6.0,5.154700756073,3.64273452758789,0.0,0.0,4.97606754302979,-0.0553342513740063,3.39506172839506,0.666666686534882,7.01965713500977,4.97606754302979,-4.31625630881172e-06,0.0,404.503295898438,0.125486448407173,1.5625,2.68379998207092,2.30384564399719,2.87293410301208,2.87501883506775,0.450024008750916,-249.960144042969,1.65868926048279,7.0,0.0,6.39188302287153e-09,3.63859963417053,454.609649658203,0.829344630241394,0.0,106.293235778809,67.3592910766602,0.222222223877907,0.0,3.3950617313385,0.222215250134468,104.46932220459,0.0,3.19320702552795,0.0,1.5625,16.154333114624,0.015625,0.0955731347203255,,265.329993247986,0.171827271580696,5.86913633346558,56.1422996520996,4.6592,0.0,0.0,0.162481993436813,164.783798217773,-161.95622253418,0.0,20.2299995422363,3.61999988555908,-23.6846790313721,,,-0.356198877096176,0.0,58.0433311462402,356.253387451172,0.0,,,1.14193248748779,-350.140319824219,51.3382377624512,0.0,-51.2049560546875,22.0907783508301,0.0,0.229800045490265,0.0,0.0,0.362385421991348,34.9729766845703,0.0,0.225856840610504,9.11668109893799,38.1815567016602,22.9287929534912,3.22788405418396,1146.26867675781,0.0370370373129845,2.64125227928162,0.0349247679114342,,1.0,4.55834054946899,77.8965454101562,0.764585077762604,0.222222223877907,1599.27185058594,3.80834031105042,1.0,,58.8057632446289,0.0,0.0,0.221260190010071,37.060001373291,1551.85754394531,3.44343066215515,0.0,752.326538085938,0.384815126657486,11.9985628128052,53.1568,1.72171533107758,7.20278263092041,0.860857665538788,0.0,8.52565670013428,0.383553832769394,0.0,0.874513566493988,0.0962037816643715,13.0,1.46000003814697,0.0
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InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3,5.0,94.88,0.415695488452911,2.0,0.441482186317444,0.0,3.53277564048767,37.0,2.02953433990479,10.7771339416504,292.609161376953,446.101501464844,0.502113580703735,0.0,4.11824798583984,13.4927654266357,-0.765504479408264,0.0,0.465274930000305,-0.0585207156836987,113.704071044922,-0.204728439450264,2.72697305679321,3.66730070114136,4.0,10.2648763656616,4.56718683242798,0.288675129413605,8.0,6.19432258605957,0.0942933037877083,8.90909090909091,0.851455628871918,9.86476612091064,6.90275955200195,-0.0348346643149853,0.0,751.553771972656,0.0196498259902,5.5,0.567900002002716,1.13761103153229,5.49538612365723,1.59590184688568,0.243021056056023,-3.24061822891235,4.86656904220581,13.0,0.16666667163372,0.15343114733696,2.02821898460388,1168.75805664062,3.78215932846069,3.57098054885864,381.688507080078,62.4633979797363,2.03072142601013,1.555304646492,8.90909099578857,0.399133861064911,581.908752441406,0.0,25.5923118591309,0.25,5.5,17.6003856658936,0.020833333954215,0.0383675172924995,0.0,319.153991699219,0.396390616893768,13.2276563644409,42.1492004394531,5.1946,0.0,2.0,0.202660843729973,295.093475341797,-449.889007568359,1.0,71.5199966430664,4.84499979019165,-34.3927803039551,0.0,0.0,-0.290773004293442,0.0,15.0639038085938,384.929138183594,8.0,0.0,4.0,1.25631153583527,-586.849243164062,31.6839733123779,0.0,-44.8630142211914,27.7901458740234,4.84461307525635,0.497886419296265,0.347826086956522,8.86262512207031,0.177592813968658,19.0004138946533,0.0,0.759059906005859,12.5916547775269,43.4582748413086,41.7276878356934,7.98352289199829,1345.15515136719,0.0555555559694767,3.21459913253784,0.0229584909975529,1.0,5.0,6.91943359375,45.1969032287598,0.588813781738281,0.124002821743488,1871.46203613281,4.86213111877441,1.0,0.0,52.2169647216797,0.0134987309575081,4.0,0.273385167121887,1015.09997558594,2122.20458984375,3.09367704391479,0.0,2102.1337890625,0.114049226045609,11.9989995956421,81.883,2.24543881416321,0.322510421276093,1.54535627365112,0.0,48.3908004760742,0.897377729415894,2.0,0.980350196361542,0.401316970586777,39.0,1.78999996185303,0.908560276031494
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InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,0.0,50.93,0.528283655643463,0.0,0.494700282812119,0.230543419718742,0.0,18.0,0.968450129032135,11.133002281189,119.699783325195,92.1392059326172,0.204582497477531,0.0,0.17354080080986,4.8677134513855,-0.157477885484695,3.0,0.229506134986877,-0.0139313098043203,37.4647331237793,-0.193208903074265,1.02923774719238,6.42700004577637,0.0,5.18884658813477,2.75547456741333,0.096225045621395,3.0,3.98138046264648,-0.274789959192276,1.83673469387755,0.644337594509125,4.25974035263062,3.50498390197754,0.111579388380051,0.0,370.490356445312,0.0449462793767452,0.587695133149679,-0.761099994182587,5.20491981506348,2.86602544784546,6.78556060791016,0.398119509220123,229.200378417969,1.41421353816986,5.0,0.0,0.123658768832684,7.15731143951416,298.607147216797,0.5,0.0,308.563293457031,17.9523601531982,0.0,0.0,1.83673465251923,0.225108921527863,237.517349243164,0.0,25.3984832763672,0.0,0.87791496515274,12.5480394363403,1.13841998577118,3.33132171630859,0.0,177.128000259399,0.121969997882843,7.83163356781006,50.7221984863281,0.622,0.0,0.0,0.10866629332304,30.7869529724121,-23.6983337402344,3.0,50.9300003051758,0.759999990463257,-2.09647727012634,0.0,0.0,-0.252056479454041,0.0,17.4358386993408,79.3629150390625,3.0,0.0,0.0,1.24809288978577,-61.0897979736328,23.8581314086914,0.0,-5.40432024002075,25.9042739868164,4.94815444946289,0.795417487621307,0.230769230769231,0.0,0.326152205467224,31.9720726013184,0.0,0.612274587154388,8.15066719055176,28.8933944702148,28.3915157318115,3.74525713920593,812.268615722656,0.70710676908493,3.11792612075806,0.032346460968256,3.0,4.0,6.84053421020508,30.0129337310791,2.00590062141418,2.00969266891479,825.699401855469,7.56757068634033,4.0,0.0,12.0,0.146969377994537,3.0,0.157511442899704,515.049987792969,937.596557617188,7.19453144073486,0.0,512.161071777344,1.16590058803558,11.8999996185303,42.5706,5.42447853088379,0.579273223876953,2.27683997154236,0.0,18.3240852355957,0.804984450340271,0.0,0.955053746700287,0.0,23.0,1.57000005245209,1.5
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%29,9.0,49.36,0.489131569862366,0.0,0.566656589508057,1.76522970199585,2.29345321655273,30.0,1.24365901947021,9.812894821167,190.137344360352,302.498291015625,0.453700035810471,1.0,0.580310821533203,12.4415149688721,-0.72181236743927,0.0,0.40036728978157,-0.0602688640356064,106.889099121094,-0.18667434155941,2.16528463363647,4.20662307739258,4.0,9.48271465301514,4.49806642532349,0.20412415266037,5.0,3.94917154312134,0.177834123373032,7.51300728407908,0.780256748199463,4.33742761611938,7.37846374511719,-0.0661138370633125,0.0,492.942535400391,0.164439022541046,5.0,2.80049991607666,1.57439541816711,4.57038688659668,1.28462183475494,0.0896109864115715,54.6296882629395,3.88450193405151,12.0,0.5,0.0637918934226036,1.2650591135025,938.585021972656,2.61650419235229,2.75254082679749,322.291839599609,56.6448135375977,1.6918751001358,1.82585322856903,7.51300716400146,0.307612746953964,512.748962402344,0.0,21.8785190582275,2.0,5.0,21.0889587402344,0.0555555559694767,0.0789166688919067,0.0,287.636992454529,0.309684932231903,19.4955654144287,90.2861022949219,3.0521,1.0,8.0,0.384947836399078,157.908355712891,-251.223678588867,3.0,46.5299987792969,2.48799991607666,-20.976318359375,1.0,1.0,-0.360011845827103,0.0,97.011459350586,267.662139892578,5.0,0.0,1.0,1.36340093612671,-425.836059570312,31.0361614227295,1.0,-35.5558547973633,25.2801055908203,11.8021793365479,0.546299934387207,0.227272727272727,15.3864774703979,0.226218432188034,34.9688529968262,0.0,0.869133830070496,12.7235126495361,37.6704940795898,45.841480255127,16.5048904418945,1467.13244628906,0.16666667163372,1.74701690673828,0.0357467867434025,0.0,2.0,6.9837646484375,37.4449653625488,1.17739188671112,0.23848395049572,1958.09606933594,5.7443904876709,3.0,1.0,24.2801055908203,0.102062076330185,1.0,0.182699471712112,1101.0400390625,1828.62280273438,3.49818754196167,0.0,1377.72412109375,0.110689125955105,11.9961700439453,81.4495,1.88724064826965,7.84280014038086,1.39911377429962,0.666666686534882,51.5334701538086,0.789021730422974,2.0,0.835560977458954,0.408807784318924,38.0,2.89000010490417,0.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,0.0,0.567934691905975,0.0,0.634453892707825,49.3531455993652,0.0,0.0,3.47518680499093e-10,5.86817216873169,26.2440891265869,5.79837226867676,0.466782182455063,2.0,10.2631206512451,1.49313461780548,-0.103130906820297,0.0,0.0278811901807785,-0.0584742985665798,3.0606415271759,-0.0112892696633935,0.0,4.77382135391235,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,221.852035522461,0.0,0.0,1.00199997425079,0.0,0.0,0.0,0.341068267822266,14.7388801574707,0.0,2.0,0.0,1.66731642381457e-10,0.0,49.0160140991211,0.0,1.0,118.295463562012,19.7029590606689,0.0,0.0,2.0,0.59637188911438,26.1362113952637,0.0,3.69962096214294,0.0,0.0,6.73031711578369,0.0,0.0,0.0,59.4749984741211,0.0834903791546822,2.08429956436157,14.7774000167847,1.3687,0.0,0.0,0.244198799133301,22.9742393493652,-5.07593107223511,0.0,0.0,1.54900002479553,-2.87800717353821,0.0,1.0,-0.193793177604675,0.0,0.0,103.556579589844,0.0,0.0,0.0,1.79876053333282,-22.8798027038574,10.7127532958984,0.0,-12.9726419448853,3.95173740386963,0.0,0.533217787742615,0.0,0.0,0.631549954414368,34.9693794250488,0.0,0.11780920624733,2.41835045814514,2.95173740386963,7.70037889480591,1.37341105937958,56.6020469665527,0.0,0.710888385772705,0.0303369630128145,0.0,0.0,1.06290197372437,0.0,0.0,0.0,23.3460159301758,0.462910056114197,0.0,0.0,0.0,0.0,0.0,0.369666755199432,19.0100002288818,0.0,0.0,1.0,0.0,0.0,11.998706817627,16.05,0.0,1.00400400161743,0.0,0.0,0.976341962814331,0.0,0.0,1.0,0.0,6.0,1.57000005245209,0.0
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.587047755718231,0.0,0.781982064247131,57.3295783996582,0.0,0.0,0.393367171287537,5.83542585372925,29.3190689086914,6.4458384513855,0.366139143705368,0.0,5.75304079055786,1.00709462165833,-0.0804961994290352,0.0,0.0441656224429607,-0.0599329881370068,3.9038872718811,-0.01770244166255,0.0,4.60632181167603,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,215.069152832031,0.0,0.0,1.09700000286102,0.0,0.0,0.0,0.263888984918594,57.578685760498,0.0,0.0,0.0,0.178756311535835,0.0,47.2832527160645,0.0,1.0,136.323913574219,17.5723915100098,0.0,0.0,2.0,0.499982744455338,29.971004486084,0.0,5.88603496551514,0.0,0.0,4.6826548576355,0.0,0.0,0.0,59.4749984741211,0.0918074995279312,2.20057773590088,15.6061000823975,1.2451,0.0,0.0,0.168016031384468,16.9356689453125,-3.72333073616028,0.0,0.0,1.39800000190735,-2.77218461036682,0.0,1.0,-0.219300657510757,0.0,0.0,78.745231628418,0.0,0.0,0.0,1.86901247501373,-17.3122501373291,10.7127532958984,0.0,-12.8897361755371,3.95173740386963,0.0,0.633860886096954,0.0,0.0,0.790209472179413,34.9693794250488,0.0,0.139355197548866,2.84100031852722,2.95173740386963,9.03396511077881,1.22650241851807,55.1310768127441,0.0,0.580708265304565,0.0217727869749069,0.0,0.0,1.50889050960541,0.0,0.0,0.0,22.3772716522217,0.801783740520477,0.0,0.0,0.0,0.0,1.0,0.226532354950905,43.0099983215332,0.0,0.0,0.0,0.0,0.0,11.998706817627,16.394,0.0,1.20340895652771,0.0,0.0,1.42313742637634,0.0,1.0,1.0,0.0,8.0,1.57000005245209,0.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.584161520004272,0.0,0.738905966281891,59.5255889892578,0.0,0.0,0.395960748195648,6.99242544174194,29.8920955657959,5.77761745452881,0.392721384763718,0.0,5.89416646957397,0.966740310192108,-0.0759061574935913,0.0,0.0293095912784338,-0.0534225665032864,4.07805776596069,-0.0118375355377793,0.0,5.42599678039551,0.0,0.70710676908493,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,221.862640380859,0.0,0.0,1.24150002002716,0.0,0.0,0.0,0.283678501844406,47.6022300720215,0.0,0.0,0.0,0.175651431083679,0.0,42.8821563720703,0.0,1.0,134.732437133789,16.2098541259766,0.0,0.0,2.0,0.499928116798401,26.0414161682129,0.0,6.75603485107422,0.0,0.0,4.35738182067871,0.0,0.0,0.0,103.925998687744,0.0830138474702835,2.2542417049408,18.589599609375,1.4012,0.0,0.0,0.155502557754517,19.3309383392334,-3.73633122444153,0.0,0.0,1.73599994182587,-2.62962055206299,0.0,0.0,-0.196960434317589,0.0,0.0,87.1302032470703,0.0,0.0,0.0,1.82299566268921,-16.8407402038574,46.2580909729004,0.0,-11.8524713516235,7.65267562866211,0.0,0.60727858543396,0.0,0.0,0.74269026517868,78.9185180664062,0.0,0.117376305162907,3.67106771469116,6.65267562866211,9.9039649963379,1.21880102157593,78.1987609863281,0.0,0.639479875564575,0.0196399986743927,0.0,0.0,2.09583687782288,0.0,0.0,0.0,31.3256549835205,1.38873016834259,0.0,0.0,0.0,0.0,1.0,0.234540984034538,43.0099983215332,0.0,0.0,0.0,0.0,0.0,11.9989070892334,19.468,0.0,1.54132223129272,0.0,0.0,1.51520502567291,0.0,1.0,1.0,0.0,8.0,1.57000005245209,0.0
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%2B1,5.0,95.27,0.427316188812256,2.0,0.507355332374573,5.83431720733643,2.24957680702209,21.0,1.19040632247925,9.4895658493042,130.752517700195,250.757522583008,0.407854855060577,1.0,1.58721709251404,12.6965761184692,-0.782185077667236,1.0,0.340355277061462,-0.0954563096165657,52.7292175292969,-0.151437699794769,1.15082406997681,4.78477048873901,1.0,7.34785556793213,2.04312229156494,0.0,4.0,3.19735455513,-0.00092504604253918,6.25,0.164266422390938,4.20879936218262,5.43359756469727,-0.124864645302296,0.25,310.464050292969,0.339305967092514,3.72889417360285,0.232800006866455,0.805393815040588,4.48246288299561,1.00985062122345,0.284811824560165,86.5990982055664,3.52555847167969,6.0,0.0,0.125139579176903,1.01169955730438,901.186828613281,1.85798621177673,0.0,278.252532958984,71.874885559082,1.31580328941345,0.0,6.25,0.444188594818115,533.633422851562,0.0304290316998959,18.3141040802002,0.0,3.72889423370361,27.0193977355957,0.0887164399027824,0.0786565616726875,0.0,222.138995170593,0.194254517555237,9.51262855529785,64.4306030273438,1.5889,1.0,5.0,0.192536443471909,90.0590896606445,-172.715545654297,4.0,,0.681999981403351,-21.0778617858887,1.0,0.0,-0.364911317825317,1.0,159.44189453125,191.653427124023,4.0,1.0,0.0,1.37886011600494,-367.553436279297,20.4033718109131,0.0,-44.8554878234863,20.4082851409912,8.1850233078003,0.592145144939423,0.222222222222222,8.36483192443848,0.190218016505241,15.9969272613525,0.096225045621395,1.13561737537384,9.2055549621582,28.0409736633301,35.0678939819336,5.61291313171387,1060.87170410156,0.334369868040085,2.70930910110474,0.0574995838105679,1.0,4.0,5.3290376663208,24.4324111938477,0.454462468624115,0.334931492805481,1400.87219238281,3.93136715888977,6.0,2.0,22.5710258483887,0.0,2.0,0.114248722791672,817.059997558594,1223.33764648438,2.61842560768127,0.0,1039.58410644531,0.0565128102898598,11.8500003814697,60.1683,1.76062476634979,0.0541958399116993,1.08660686016083,0.63245552778244,25.113941192627,0.503806471824646,0.0,0.660694003105164,0.28986594080925,32.0,2.00999999046326,0.0
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InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,12.0,61.27,0.518324911594391,0.0,0.560671746730804,3.52857542037964,1.53261888027191,18.0,0.79979681968689,8.46330738067627,168.734970092773,202.568435668945,0.323619425296783,0.0,3.07804775238037,14.0902719497681,-0.388509184122086,0.0,0.147786676883698,-0.0506896078586578,53.6682243347168,-0.058946006000042,0.98559856414795,5.53635358810425,4.0,6.48749780654907,1.62954914569855,0.0,2.0,1.96420383453369,-0.00412372127175331,5.36507936507936,0.0,2.76322031021118,4.93752384185791,-0.0540310516953468,0.0,426.892517089844,0.145304262638092,3.5,-0.634299993515015,0.447398453950882,3.60103964805603,0.456324309110641,0.105834156274796,176.192626953125,3.21497464179993,15.0,0.0,0.0585348941385746,0.496450453996658,599.616638183594,1.65425360202789,0.0,337.829925537109,53.5284042358398,1.06531405448914,0.0,5.36507940292358,0.520198225975037,405.569030761719,0.0,13.7144842147827,0.0,3.5,28.2106056213379,0.0555555559694767,0.054755475372076,0.0,188.144995689392,0.114693038165569,13.6635894775391,69.2856979370117,2.6433,0.0,8.0,0.376723200082779,80.7325286865234,-96.92041015625,2.0,61.2700004577637,0.757000029087067,-12.6454105377197,1.0,0.0,-0.310138016939163,0.0,72.5747146606445,161.637298583984,2.0,0.0,0.0,1.59919488430023,-194.047592163086,16.4944458007812,0.0,-25.317798614502,16.9965553283691,8.69190216064453,0.676380574703217,0.125,12.3619976043701,0.258128225803375,15.9949188232422,0.0,0.812003314495087,8.1817512512207,22.9931087493896,32.1235160827637,11.4177188873291,916.785034179688,0.16666667163372,1.4460746049881,0.0564813949167728,0.0,3.0,4.62833309173584,19.9931087493896,0.328532844781876,0.284517794847488,1170.47814941406,3.24013328552246,3.0,0.0,12.9965543746948,0.0,0.0,0.103372484445572,574.030029296875,1003.67889404297,1.99590170383453,0.0,689.641540527344,0.0,11.8500003814697,61.7828,1.20782077312469,0.402336478233337,0.82675552368164,0.0,26.7992935180664,0.312006711959839,0.0,0.854695737361908,0.158763229846954,27.0,2.45000004768372,0.0
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InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,0.0,38.05,0.462428510189056,3.0,0.537218391895294,13.8554954528809,0.0,4.0,0.498858362436295,6.8876428604126,102.089942932129,75.916877746582,0.165934845805168,0.0,2.40099024772644,5.35830068588257,-0.123393692076206,0.0,0.0258236769586802,-0.0395978763699532,20.219388961792,-0.00787866022437811,0.0,4.54934692382812,0.0,2.06066012382507,0.0,0.0,4.0,0.0,-0.000586994865443558,6.0,0.0,0.0,1.20710682868958,-3.65888299711514e-05,0.0,300.200927734375,0.141934260725975,6.0,-1.81700003147125,0.0,0.676776707172394,0.0,0.131029859185219,233.750564575195,0.353553384542465,2.0,0.0,0.0657169669866562,0.0,260.163787841797,0.176776692271233,1.80720400810242,291.804138183594,29.1692790985107,0.0,0.0,6.0,0.312318742275238,216.993560791016,0.0,13.9848976135254,0.0,6.0,15.315655708313,0.0,0.0,0.0,88.068998336792,0.0101735107600689,7.59101295471191,27.9298000335693,0.6399,0.0,0.0,0.352439880371094,20.3104972839355,-15.1034421920776,2.0,38.0499992370605,1.12899994850159,-4.84679746627808,0.0,0.0,-0.375575453042984,0.0,49.6567993164062,58.0535888671875,4.0,1.0,0.0,1.31196558475494,-43.170238494873,7.71997594833374,0.0,-13.8536233901978,6.52617311477661,3.96540641784668,0.83406513929367,0.666666666666667,0.0,0.364396899938583,14.1130790710449,0.0,0.620233714580536,4.90577745437622,5.33237028121948,20.3351020812988,6.09750509262085,231.511245727539,0.0,0.994649410247803,0.04377681016922,0.0,2.0,2.84933519363403,4.33237028121948,0.0,0.0,192.682723999023,1.6612309217453,2.0,0.0,3.33237051963806,0.0,4.0,0.189083307981491,358.019989013672,147.21760559082,0.924667656421661,0.0,100.870391845703,0.0,11.9989995956421,31.7151,0.477062076330185,3.30148911476135,0.197168782353401,0.0,9.60286045074463,0.0721687823534012,1.0,0.858065724372864,0.0,21.0,1.78999996185303,0.0
InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3,3.0,137.46,0.514477968215942,0.0,0.56770783662796,4.91005277633667,9.1254653930664,39.0,0.94075071811676,11.2567577362061,172.879776000977,174.043411254883,0.453775346279144,0.0,0.257737994194031,5.07115888595581,-0.45682966709137,0.0,0.168144136667252,-0.0529096685349941,65.1378021240234,0.00171384727582335,3.18048405647278,4.04108572006226,6.0,10.0741443634033,5.16160917282104,0.288675129413605,4.0,9.61419677734375,0.0405692979693413,6.62993572084481,0.94275861978531,15.6609668731689,6.56723546981812,-0.225870013237,0.0,562.582824707031,0.0,3.6734693877551,2.70040011405945,2.22545623779297,6.31524085998535,3.36472344398499,0.356155902147293,52.0103759765625,4.6909294128418,15.0,2.69217324256897,0.0869758874177933,4.67701101303101,566.369445800781,2.74658060073853,0.0,307.296600341797,38.7801361083984,1.30857837200165,10.4086446762085,6.62993574142456,0.411721110343933,309.364959716797,0.0,20.1661052703857,2.87174582481384,3.67346930503845,9.01406669616699,0.015625,0.0600256361067295,0.0,282.146993637085,0.171808674931526,10.8162240982056,38.7883987426758,4.8951,0.0,0.0,0.167651161551476,143.61962890625,-144.586318969727,0.0,102.419998168945,4.47599983215332,-16.7458782196045,0.0,0.0,-0.154177993535995,0.0,0.0,255.286209106445,4.0,0.0,6.0,1.49390697479248,-257.004516601562,26.7267780303955,0.0,-29.7660694122314,24.8193511962891,0.0,0.546224653720856,0.19047619047619,0.0,0.125847011804581,15.9999418258667,0.0,0.549901187419891,12.291130065918,38.3130722045898,39.2338943481445,6.02321147918701,1476.658203125,0.0370370373129845,3.85226202011108,0.0160226486623287,0.0,6.0,6.01626539230347,44.9793281555176,1.84200847148895,0.156742617487907,2230.90649414062,5.69214963912964,0.0,0.0,58.5458374023438,0.25,0.0,0.136591956019402,876.090026855469,2508.83959960938,3.19214963912964,0.0,2415.4072265625,0.355205088853836,11.8900003433228,81.082,2.43341207504272,7.29216003417969,1.56937325000763,0.0,32.4933471679688,0.61147803068161,5.0,1.0,0.308880150318146,36.0,1.78999996185303,0.75
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,0.0,0.523467063903809,0.0,0.523463845252991,2.88803458213806,0.0,3.0,2.61154387004581e-09,6.39342927932739,50.4386558532715,18.6899890899658,0.364042401313782,0.0,5.8033504486084,3.11499810218811,-0.134895518422127,0.0,0.0,-0.0224825851619244,8.17278099060059,0.0,0.0,6.09337520599365,0.0,2.12132024765015,0.0,0.0,0.0,0.0,0.0,2.22222222222222,0.0,0.0,1.5,0.0,0.0,281.622711181641,0.0,1.33333333333333,1.40339994430542,0.0,1.06066012382507,0.0,0.499997198581696,76.5774993896484,0.75,6.0,0.0,6.43662290134017e-10,0.0,104.354988098145,0.0,0.0,179.10009765625,17.3924980163574,0.0,0.0,2.22222232818604,0.515548586845398,66.365348815918,0.0,6.559241771698,0.0,1.33333337306976,11.0608911514282,0.0370370373129845,0.0,,72.0659980773926,0.0882962495088577,4.05732011795044,30.9557991027832,1.6866,0.0,6.0,0.125002101063728,28.8726940155029,-10.6987447738647,0.0,0.0,2.08200001716614,-1.78312420845032,,,-0.211758151650429,0.0,0.0,102.522605895996,0.0,,,1.5624794960022,-37.9896392822266,6.0,0.0,-6.33160638809204,6.0,9.1254653930664,0.635957598686218,0.0,0.0,0.16666667163372,12.1500539779663,0.0,0.235653400421143,3.46410155296326,6.0,14.5607576370239,2.02867126464844,233.878387451172,0.125,2.02864861488342,0.0392755679786205,,0.0,2.0,3.0,0.0,0.0,233.878387451172,1.15470051765442,0.0,,0.0,0.0,0.0,0.16666667163372,114.0,116.939193725586,0.666666686534882,0.0,0.0,0.0,11.8500003814697,26.442,0.38490018248558,1.96953153610229,0.222222223877907,0.0,4.1154613494873,0.0,0.0,1.0,0.0,12.0,2.11999988555908,0.0
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.0,0.0,0.487662315368652,6.0,0.432917088270187,8.81879997253418,9.1254653930664,21.0,0.793833434581757,11.6940746307373,27.4161434173584,27.2068748474121,0.807959854602814,0.0,0.0,1.58906173706055,-0.801792681217194,0.0,0.298728197813034,-0.133632123470306,17.8391609191895,3.46944695195361e-18,1.15470051765442,7.54407739639282,0.0,5.154700756073,3.64273452758789,0.0,0.0,4.97606754302979,-0.0746820494532585,3.39506172839506,0.666666686534882,7.01965713500977,4.97606754302979,-3.46944695195361e-18,0.0,377.83935546875,0.0,1.5625,4.16340017318726,4.48108768463135,2.87293410301208,6.42127370834351,0.408920705318451,-232.718704223633,1.65868926048279,0.0,0.0,0.150421008467674,9.34938430786133,374.955291748047,0.829344630241394,0.0,72.5603179931641,54.6971244812012,0.222222223877907,0.0,3.3950617313385,0.385026723146439,72.006462097168,0.0,9.07924175262451,0.0,1.5625,4.20565462112427,0.0370370373129845,0.251976311206818,0.0,284.783992767334,0.146525427699089,5.27741050720215,54.0810012817383,3.6444,0.0,0.0,0.0804937183856964,115.34642791748,-114.46598815918,0.0,0.0,3.83400011062622,-19.0776653289795,0.0,6.0,-0.204267740249634,0.0,0.0,305.279022216797,0.0,0.0,0.0,1.30560612678528,-302.948822021484,58.2765197753906,0.0,-50.4914703369141,23.7104244232178,0.0,0.192040130496025,0.0,0.0,0.16666667163372,34.9739570617676,0.0,0.190574288368225,10.2674617767334,41.4208488464355,27.6407585144043,2.32553482055664,1349.00231933594,0.0370370373129845,2.15804243087769,0.0111308004707098,0.0,0.0,5.92792224884033,90.6973724365234,1.30930733680725,0.222222223877907,1878.3134765625,5.69027423858643,0.0,0.0,69.986946105957,0.0,0.0,0.108260042965412,192.059997558594,1810.26770019531,5.8567099571228,0.0,871.111022949219,0.857142865657806,11.9985628128052,57.846,3.38137316703796,17.3339004516602,1.95223665237427,0.0,8.57781600952148,0.998824298381805,0.0,1.0,0.28571429848671,18.0,1.46000003814697,0.0
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