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path: root/cv/data/csv/LOAEL_electronic_cpsa.csv
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SMILES,FPSA-1,FPSA-2,PPSA-1,RNCG,DPSA-1,FPSA-3,WNSA-1,DPSA-2,PPSA-3,bpol,RPSA,TPSA,RNCS,RPCG,WPSA-3,RHSA,THSA,RPCS,FNSA-1,FNSA-2,apol,PNSA-1,FNSA-3
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InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,0.443806499242783,0.805126309394836,352.522430419922,0.146884515881538,-89.2707595825195,0.0151857063174248,350.923248291016,1440.99829101562,12.0622434616089,22.8424835205078,0.0284115802496672,22.5677623748779,0.0,0.229747280478477,9.58122825622559,0.97158843278885,771.747863769531,0.0,0.55619353055954,-1.00901186466217,47.0775146484375,441.793182373047,-0.0653549134731293
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,0.705643951892853,0.517585635185242,308.20947265625,0.475335121154785,179.641342163086,0.034236416220665,56.1556816101074,320.373779296875,14.9537000656128,15.0344839096069,0.0502709001302719,21.9572048187256,10.4370307922363,0.102505601942539,6.53144121170044,0.949729084968567,414.820404052734,0.580259323120117,0.294356048107147,-0.215908408164978,26.4035167694092,128.568130493164,-0.0283911526203156
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,0.802278161048889,1.66344344615936,634.657653808594,0.150228843092918,478.245971679688,0.0303637199103832,123.732513427734,1640.20324707031,24.0198078155518,47.289867401123,0.0749198794364929,59.2668228149414,0.128350406885147,0.141805157065392,19.001335144043,0.925080120563507,731.802551269531,0.240817368030548,0.197721853852272,-0.409956485033035,70.7861328125,156.411712646484,-0.0238691624253988
InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,0.480948269367218,0.921881675720215,325.390502929688,0.190919011831284,-25.7792797088623,0.0248406603932381,237.587509155273,1296.83068847656,16.8062038421631,26.2731056213379,0.0925269424915314,62.6000556945801,0.581775784492493,0.211624026298523,11.3704090118408,0.907473027706146,613.960205078125,0.0,0.519051730632782,-0.99491834640503,46.3048934936523,351.169769287109,-0.0765544027090073
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.249043703079224,0.263771027326584,73.9540100097656,0.342811048030853,-149.043899536133,0.0459721051156521,66.2196578979492,314.512298583984,13.6515045166016,4.53962087631226,0.34872367978096,103.554168701172,7.06831741333008,0.298995167016983,4.05384063720703,0.651276290416718,193.397750854492,0.0,0.750956296920776,-0.795364439487457,13.664379119873,222.997909545898,-0.123989515006542
InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,0.635543286800385,1.81117987632751,430.324432373047,0.123650789260864,183.55192565918,0.0520683862268925,167.088912963867,1929.59997558594,35.2553443908691,37.2121391296387,0.123070761561394,83.3308334350586,0.65498673915863,0.101201929152012,23.8712863922119,0.876929223537445,593.76611328125,0.0610435679554939,0.364456683397293,-1.0386335849762,52.565860748291,246.772506713867,-0.059331975877285
InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,0.716909468173981,1.20388507843018,435.745727539062,0.187507718801498,263.680114746094,0.0299017820507288,104.583442687988,1020.67980957031,18.1746425628662,30.2825546264648,0.0735518634319305,44.7056579589844,1.94376254081726,0.164692342281342,11.0467548370361,0.926448166370392,563.105712890625,0.585266768932343,0.283090502023697,-0.475385576486588,48.5154457092285,172.065628051758,-0.0408325530588627
InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,0.655196905136108,0.877033233642578,390.171508789062,0.230430543422699,184.840362548828,0.0301096308976412,122.275260925293,797.127746582031,17.9303665161133,28.6488971710205,0.0359708219766617,21.4207210540771,0.544679224491119,0.22258223593235,10.6775808334351,0.9640291929245,574.081970214844,0.343327075242996,0.344803094863892,-0.461546391248703,38.5751037597656,205.331161499023,-0.0378605686128139
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InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,0.568478226661682,0.87227588891983,301.431457519531,0.215743079781532,72.6201553344727,0.0297729671001434,121.325538635254,813.607177734375,15.786901473999,20.4038982391357,0.327417701482773,173.610870361328,7.93205642700195,0.176460385322571,8.37088966369629,0.672582268714905,356.631896972656,0.899009466171265,0.431521773338318,-0.66212922334671,38.0381011962891,228.811309814453,-0.0833261236548424
InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,0.6583331823349,1.20423126220703,334.134857177734,0.179108411073685,160.722961425781,0.0377250798046589,88.0146484375,928.410888671875,19.1472415924072,21.6141052246094,0.264186382293701,134.086944580078,1.95360803604126,0.160100445151329,9.71812057495117,0.735813617706299,373.459808349609,0.453144878149033,0.341666847467422,-0.624981284141541,38.5878944396973,173.411895751953,-0.0692702606320381
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,0.620790123939514,0.540190398693085,288.149505615234,0.236001685261726,112.133293151855,0.0466116666793823,81.70068359375,403.901153564453,21.6355361938477,14.7588634490967,0.0125001240521669,5.80212879180908,1.36931216716766,0.192812129855156,10.0424737930298,0.98749989271164,458.363586425781,7.46439170837402,0.379209846258163,-0.329975485801697,28.0411376953125,176.016204833984,-0.0409877188503742
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InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,0.433235287666321,0.61028528213501,241.462585449219,0.200257673859596,-74.4222946166992,0.0268808640539646,176.057632446289,785.118286132812,14.9819812774658,16.4908638000488,0.148719772696495,82.8885879516602,2.41811919212341,0.250377357006073,8.35016918182373,0.851280212402344,474.458862304688,1.60630214214325,0.566764712333679,-0.798384070396423,34.9871368408203,315.884887695312,-0.0761615410447121
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InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,0.634375751018524,1.13677680492401,477.850982666016,0.166620895266533,202.440185546875,0.0231552235782146,207.456405639648,1349.81604003906,17.4419441223145,34.1001739501953,0.128730982542038,96.9681243896484,0.170826256275177,0.148996785283089,13.1383495330811,0.871269047260284,656.293640136719,0.365488320589066,0.365624278783798,-0.655184626579285,54.4178237915039,275.410766601562,-0.0429016835987568
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InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,0.773497104644775,0.375131607055664,269.026214599609,0.127306953072548,190.247360229492,0.0320309400558472,27.399694442749,168.678955078125,11.1405239105225,13.118483543396,0.0,0.0,2.17797565460205,0.127917096018791,3.87473106384277,1.0,347.805114746094,1.67523467540741,0.226502925157547,-0.10984967648983,23.841516494751,78.7788696289062,-0.0136195411905646
InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,0.654502630233765,1.22927296161652,417.205841064453,0.171221300959587,196.972152709961,0.030706349760294,140.385650634766,1197.22546386719,19.5734405517578,33.0725173950195,0.131806045770645,84.0183868408203,2.45272278785706,0.128920406103134,12.4768848419189,0.868193924427032,553.421142578125,0.462198495864868,0.345497369766235,-0.648905873298645,51.893482208252,220.233673095703,-0.0571286492049694
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InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,0.639572381973267,1.03926360607147,539.373779296875,0.164218008518219,235.412551879883,0.0333614870905876,256.341125488281,1370.36462402344,28.1349086761475,32.0377616882324,0.0555803664028645,46.8728637695312,1.28610420227051,0.201191753149033,23.7271518707275,0.944419622421265,796.462097167969,0.41759580373764,0.360427618026733,-0.585671484470367,57.6602401733398,303.961212158203,-0.0416968651115894
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InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,0.545033276081085,0.802487015724182,248.720443725586,0.227770626544952,41.1009750366211,0.0352168083190918,94.7450561523438,671.898193359375,16.070837020874,18.9342765808105,0.112526722252369,51.3504371643066,4.196861743927,0.283025085926056,7.33376407623291,0.887473285198212,404.989471435547,0.0,0.454966723918915,-0.669876277446747,29.607723236084,207.619476318359,-0.0656279698014259
InChI%3D1S%2FC48H72O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16%2C20-24H2%2C1-10H3%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%3F%2C47%2B%2C48%3F%2Fm0%2Fs1,0.686145544052124,4.08026742935181,939.132629394531,0.0651558116078377,509.557678222656,0.0308919567614794,587.962585449219,8139.22509765625,42.282054901123,98.8289031982422,0.11740817129612,160.697463989258,1.75350749492645,0.0456887483596802,57.8717727661133,0.882591843605042,1208.01013183594,0.0847741216421127,0.313854455947876,-1.86638247966766,143.717102050781,429.574981689453,-0.0436858087778091
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,0.708689391613007,0.6746746301651,345.794982910156,0.326492071151733,203.654067993164,0.0211003515869379,69.3556594848633,464.5166015625,10.2956190109253,31.1249332427979,0.0801489055156708,39.1075286865234,0.0,0.316086024045944,5.02360200881958,0.919851124286652,448.828369140625,0.208951771259308,0.291310638189316,-0.277328699827194,37.7830657958984,142.140914916992,-0.0325372107326984
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InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,0.631921947002411,0.712215304374695,282.302185058594,0.309021323919296,117.868530273438,0.0355345271527767,73.4584045410156,503.4990234375,15.8745460510254,22.6060695648193,0.298467755317688,133.336242675781,14.2569341659546,0.317948848009109,7.09172868728638,0.701532244682312,313.399597167969,1.17936134338379,0.368078052997589,-0.414846807718277,23.7439308166504,164.433654785156,-0.076339952647686
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InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,0.839733481407166,0.763943433761597,399.770202636719,0.293951064348221,323.472473144531,0.0250381696969271,36.3229141235352,433.100494384766,11.9198703765869,28.1753463745117,0.0412967726588249,19.6600704193115,5.00609254837036,0.28730434179306,5.67466878890991,0.958703219890594,456.407897949219,0.704756021499634,0.160266503691673,-0.145801663398743,38.1646537780762,76.2977523803711,-0.016682730987668
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.180096283555031,0.0611371919512749,53.3258514404297,0.36738058924675,-189.444641113281,0.0280539840459824,71.8834609985352,100.515678405762,8.30668258666992,3.22320699691772,0.0724358111619949,21.4479808807373,30.2728519439697,0.710292398929596,2.45957827568054,0.927564203739166,274.648376464844,15.2343368530273,0.81990373134613,-0.2783322930336,9.83679294586182,242.770492553711,-0.0930726677179337
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InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,0.658244013786316,0.745478570461273,236.150665283203,0.317501068115234,113.542785644531,0.0528988987207413,43.986629486084,406.303466796875,18.9779319763184,11.6196556091309,0.247931152582169,88.9474182128906,6.71825790405273,0.260947048664093,6.80849599838257,0.752068877220154,269.811126708984,1.87106657028198,0.341755986213684,-0.387047618627548,21.8203449249268,122.607887268066,-0.0594484694302082
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0962531045079231,0.0346889346837997,21.9671936035156,0.333333343267441,-184.288833618164,0.00997102074325085,47.0724143981934,82.2500228881836,2.27561855316162,2.35320711135864,0.0,0.0,22.9880809783936,0.712559044361115,0.519348978996277,1.0,228.223220825195,0.0,0.903746902942657,-0.325703948736191,8.96679306030273,206.25602722168,-0.108567982912064
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,0.613689184188843,0.94349503517151,341.074798583984,0.196721315383911,126.371856689453,0.038201242685318,119.327110290527,854.461059570312,21.2314014434814,24.4208984375,0.229455798864365,127.526428222656,4.22956228256226,0.160878926515579,11.7999401092529,0.770544171333313,428.251312255859,0.226426407694817,0.386310786008835,-0.593920052051544,39.3591003417969,214.702941894531,-0.0553731359541416
InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,0.524260401725769,1.10505616664886,345.463226318359,0.133343547582626,31.972936630249,0.04194101318717,206.575546264648,1388.96765136719,27.6371784210205,31.3023128509521,0.269283682107925,177.445434570312,4.02152395248413,0.205865442752838,18.2116165161133,0.730716347694397,481.508117675781,3.17882752418518,0.475739598274231,-1.00278222560883,48.3576889038086,313.490295410156,-0.08077971637249
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.187552720308304,0.186121121048927,70.7905578613281,0.16666667163372,-235.862396240234,0.0108707062900066,115.744163513184,374.562469482422,4.10307741165161,9.07924175262451,0.0,0.0,8.58422756195068,0.108260042965412,1.54867994785309,1.0,377.443511962891,0.0,0.812447309494019,-0.806245863437653,27.6407585144043,306.652954101562,-0.134374305605888
InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,0.629846215248108,1.06210076808929,428.789428710938,0.198829129338264,176.794570922852,0.0349677503108978,171.554153442383,1147.99682617188,23.8054962158203,29.9153461456299,0.136935278773308,93.223388671875,3.75985193252563,0.159634932875633,16.2064075469971,0.863064706325531,587.560913085938,3.3033595085144,0.37015375494957,-0.624184966087341,52.8066520690918,251.994873046875,-0.0478738807141781
InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,0.643063068389893,1.13638842105865,324.143127441406,0.193743988871574,144.225051879883,0.0528781414031982,90.6897125244141,890.751403808594,26.6538181304932,16.1480693817139,0.387483716011047,195.315505981445,4.18786478042603,0.148540437221527,13.435154914856,0.612516283988953,308.745666503906,1.25660574436188,0.35693696141243,-0.630760908126831,25.7939300537109,179.918060302734,-0.082368440926075
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InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,0.751281142234802,1.11873686313629,379.100494384766,0.174198925495148,253.595611572266,0.0329122990369797,63.3304443359375,751.41064453125,16.607723236084,24.7177257537842,0.05935949832201,29.9531230926514,1.23133957386017,0.117292188107967,8.38034629821777,0.94064050912857,474.652282714844,0.0,0.24871888756752,-0.370368659496307,35.522274017334,125.504890441895,-0.0347278453409672
InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,0.493027448654175,0.931216955184937,366.150238037109,0.164063066244125,-10.3564481735229,0.0306663326919079,279.615295410156,1402.71044921875,22.7745628356934,28.8009338378906,0.139762163162231,103.795333862305,1.53719651699066,0.141532972455025,16.9136867523193,0.860237836837769,638.861572265625,0.240355134010315,0.506972551345825,-0.957556188106537,60.9950675964355,376.506683349609,-0.0620717331767082
InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,0.502722859382629,0.907412588596344,306.171020507812,0.166205540299416,3.31656455993652,0.0204680245369673,184.446075439453,1099.28833007812,12.4655485153198,26.0255184173584,0.0329331159591675,20.0571060180664,3.33360195159912,0.231726557016373,7.59183597564697,0.967066884040833,588.968383789062,0.0,0.497277140617371,-0.89758312702179,43.4944801330566,302.854461669922,-0.0698655843734741
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