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

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InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,72.8938217163086,-118.371711730957,29.869930267334,15.0720701217651,0.294774770736694,-15.4213743209839,0.159731045365334,10.0402421951294,383.459655761719,0.19381158053875,104.212455749512,3.61008262634277,118.56103515625,3.0,0.840268969535828,7.43893241882324,227.994415283203,1.0,-259.386016845703,0.499600470066071,0.500399529933929,0.364653825759888,-33.792610168457,228.359069824219,-0.568388402462006,0.56929749250412,519.186889648438,259.800872802734,104.046043395996,-0.0740491971373558,0.035719707608223,50.0934219360352,16.3008117675781
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InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,46.9901275634766,-26.5186882019043,26.4035167694092,14.0764837265015,0.424511551856995,-6.26275014877319,0.128047451376915,19.9478511810303,319.984191894531,0.213705137372017,96.8140335083008,3.33348631858826,67.8194427490234,1.0,0.871952533721924,4.80114650726318,103.157417297363,0.0,-72.2630615234375,0.281102538108826,0.718897461891174,160.65950012207,-17.0659084320068,263.816925048828,-0.196915850043297,0.503596663475037,257.070098876953,184.807052612305,37.8561248779297,-0.0465043634176254,0.0356511548161507,30.1489658355713,13.0830583572388
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,46.924430847168,-35.9202156066895,16.4881725311279,6.83182811737061,0.365022003650665,-7.54774379730225,0.143226891756058,17.1284503936768,280.698608398438,0.224032253026962,43.7688369750977,1.50773954391479,24.7323417663574,0.0,0.85677307844162,3.04983973503113,194.027923583984,0.0,-109.638854980469,0.592229187488556,0.407770812511444,-60.4328117370605,-23.0378913879395,133.595108032227,-0.334649384021759,0.230417981743813,185.129089355469,75.4902420043945,63.5680198669434,-0.0703182891011238,0.0284137222915888,32.3468818664551,9.30899047851562
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InChI%3D1S%2FC7H5NO3S.Na.O%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%3B%2Fq%3B%2B1%3B%2Fp-1,,,47.1287574768066,13.3972415924072,,,,,,,,,,5.0,,,,1.0,,,,,,,,,,,,,,,
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,24.4749698638916,-29.3942852020264,40.2234115600586,28.8565883636475,0.357797801494598,-4.90886116027832,0.0450691804289818,8.75709056854248,518.578369140625,0.128179311752319,263.034545898438,2.90080761909485,242.583312988281,1.0,0.95493084192276,9.2366828918457,58.691104888916,1.0,-54.1278038024902,0.108076125383377,0.891923844814301,425.671142578125,-9.03937244415283,484.362243652344,-0.0996730923652649,0.822575807571411,500.830352783203,446.702545166016,31.8724002838135,-0.0166454594582319,0.0313206687569618,26.0481662750244,17.0087947845459
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,79.5266494750977,-95.9364471435547,56.807788848877,33.7542114257812,0.237873703241348,-12.3423871994019,0.131666898727417,6.28661823272705,524.47216796875,0.190481677651405,295.888427734375,2.97722482681274,411.839080810547,2.0,0.868333101272583,11.2134027481079,114.116371154785,1.0,-158.835494995117,0.18893475830555,0.811065256595612,375.766082763672,-20.434455871582,489.882446289062,-0.262973189353943,1.12889969348907,840.689636230469,681.854125976562,68.926155090332,-0.0338319465517998,0.0307372659444809,38.9997291564941,18.5652732849121
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InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,49.9614105224609,-38.4261703491211,27.3106880187988,17.4913120269775,0.458809375762939,-7.71973276138306,0.114031456410885,12.6613130569458,388.175689697266,0.257470935583115,145.247100830078,5.75843858718872,119.470169067383,1.0,0.885968565940857,8.20069885253906,106.626480102539,1.0,-87.7035369873047,0.243363291025162,0.756636738777161,224.884124755859,-17.6194458007812,331.510620117188,-0.200173735618591,0.622356772422791,360.381134033203,272.677581787109,46.7170143127441,-0.0402144603431225,0.0427199564874172,36.3366432189941,18.7171974182129
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InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2,71.7157745361328,-16.2721843719482,19.7967224121094,12.0252771377563,0.455906242132187,-4.22994375228882,0.208846792578697,12.191686630249,271.673645019531,0.422991335391998,90.1013870239258,19.0236644744873,52.7108268737793,0.0,0.791153192520142,6.01183271408081,81.0010528564453,1.0,-47.3869743347168,0.235886856913567,0.764113128185272,181.387313842773,-12.318211555481,262.388366699219,-0.137997761368752,0.447019010782242,200.888580322266,153.501602172852,27.8149032592773,-0.0358724258840084,0.050983902066946,29.8255443572998,17.5073337554932
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,83.1225891113281,-12.8375482559204,8.75596523284912,5.46603488922119,0.601848840713501,-4.41397190093994,0.278957337141037,21.2021465301514,214.853393554688,0.557863891124725,59.8476295471191,26.7184638977051,26.5460338592529,0.0,0.721042633056641,5.2958517074585,97.1288223266602,1.0,-43.0824928283691,0.325961917638779,0.674038052558899,103.718330383301,-14.8131809234619,200.847152709961,-0.144583776593208,0.298976540565491,132.170333862305,89.0878295898438,28.9420566558838,-0.0497126653790474,0.0596449002623558,32.5859298706055,17.7727470397949
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,,,24.6883087158203,17.0316905975342,,,,,,,,,,1.0,,,,0.0,,,,,,,,,,,,,,,
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,6.86241626739502,-22.237678527832,25.6083087921143,14.8716907501221,0.453236699104309,-2.30093264579773,0.0178581140935421,3.11029887199402,377.411987304688,0.200786650180817,112.750968933105,2.65620350837708,71.8103637695312,1.0,0.98214191198349,4.81415557861328,90.8617630004883,1.0,-57.8692665100098,0.236450210213661,0.7635498046875,202.550888061523,-5.98773288726807,293.412658691406,-0.150593608617783,0.486299902200699,244.74186706543,186.872604370117,34.9158515930176,-0.015581919811666,0.0326014682650566,18.5156440734863,12.5279102325439
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,14.8145732879639,-8.90820503234863,27.8490676879883,20.110933303833,0.487777382135391,-2.1346755027771,0.0422772243618965,7.2262134552002,335.600402832031,0.178148671984673,109.433532714844,2.94393706321716,72.9839859008789,1.0,0.957722783088684,3.55536651611328,38.1180229187012,1.0,-25.4218711853027,0.108779661357403,0.891220331192017,274.178924560547,-6.09185028076172,312.296966552734,-0.0725479051470757,0.594377338886261,233.700592041016,208.278717041016,13.3571262359619,-0.0173846744000912,0.0289546996355057,16.2380104064941,10.1461601257324
InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1,40.5453147888184,-11.8959627151489,30.4042739868164,19.6777267456055,0.528392553329468,-3.60873675346375,0.117803305387497,12.6102409362793,303.632751464844,0.283343851566315,102.418914794922,4.72618246078491,75.9601593017578,1.0,0.882196664810181,3.84571409225464,46.6026649475098,1.0,-34.5633964538574,0.135402783751488,0.864597201347351,250.972717285156,-10.48508644104,297.575378417969,-0.100423015654087,0.641238391399384,255.263580322266,220.700180053711,16.0396137237549,-0.0304641351103783,0.0324646458029747,21.6587047576904,11.1736183166504
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,-10.6230916976929,23.841516494751,13.118483543396,0.134284555912018,-1.21979057788849,0.0,1.56253528594971,344.18798828125,0.142807096242905,94.1108093261719,2.09454011917114,41.0497207641602,0.0,1.0,3.29532432556152,70.7594680786133,0.0,-30.8642158508301,0.205583781003952,0.79441624879837,202.669052124023,-3.54396629333496,273.428527832031,-0.0896725505590439,0.346512407064438,150.129623413086,119.265411376953,24.3545570373535,-0.0102966008707881,0.0278167743235826,13.1181659698486,9.57419967651367
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3,68.0617599487305,-14.8551759719849,17.0719299316406,13.8060703277588,0.46658119559288,-5.33027124404907,0.216255083680153,3.97302317619324,246.66731262207,0.381613403558731,77.1087951660156,3.09631633758545,52.1956443786621,2.0,0.783744931221008,3.01850414276123,69.7285385131836,0.0,-47.1998825073242,0.22155100107193,0.77844899892807,175.272003173828,-16.9360618591309,245.000534057617,-0.149969875812531,0.526939213275909,213.04296875,165.84309387207,21.9455986022949,-0.0538115575909615,0.0304731987416744,26.5268630981445,9.59080123901367
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,34.0113906860352,-21.7753372192383,21.92551612854,15.9924840927124,0.401249706745148,-3.98012471199036,0.0913812816143036,0.742763817310333,338.180694580078,0.37431925535202,110.277206420898,1.8364063501358,85.0033493041992,2.0,0.908618748188019,4.13241672515869,75.900993347168,0.0,-58.5056419372559,0.203929618000984,0.796070396900177,220.390106201172,-10.6937379837036,296.291107177734,-0.157192066311836,0.613623142242432,286.891326904297,228.385696411133,28.2497501373291,-0.0287317726761103,0.0298311393707991,21.79665184021,11.1029138565063
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,69.4758453369141,-34.0364875793457,21.1235160827637,13.118483543396,0.500778317451477,-7.96836376190186,0.176909074187279,14.917631149292,323.244812011719,0.278809010982513,109.357269287109,11.0650806427002,82.9496459960938,1.0,0.82309091091156,7.32007741928101,114.259971618652,1.0,-86.6684417724609,0.290944635868073,0.709055364131927,164.200729370117,-20.2901573181152,278.460693359375,-0.220687240362167,0.537832498550415,297.886383056641,211.217926025391,44.8722496032715,-0.0516656190156937,0.047462236136198,38.929557800293,18.6394004821777
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,12.3111162185669,-10.8651275634766,18.5683097839355,13.5516910552979,0.61592823266983,-2.2768886089325,0.0363307036459446,7.582763671875,326.551483154297,0.222987800836563,94.3938446044922,5.13026475906372,50.1908874511719,1.0,0.963669300079346,3.66899394989014,60.3017578125,1.0,-32.0635185241699,0.17795342206955,0.82204657793045,218.259078979492,-6.71920871734619,278.560821533203,-0.0946210026741028,0.437096804380417,180.179275512695,148.115753173828,20.434009552002,-0.019828712567687,0.0319521240890026,17.5465888977051,10.8273792266846