"compound_class";"AUC";"AUC.PR";"TPR.FPR";"TPR.FPR.1";"chemont.id"
"Acetylides";0.835884353741497;0.0300421972134066;0;0.2;"0004478"
"Alkaloids and derivatives";0.801833122629582;0.192117431295398;0.0654867256637168;0.285714285714286;"0000279"
"Aniline and substituted anilines";0.77928635547576;0.196473668888653;0.0969479353680431;0.277777777777778;"0000284"
"Benzenesulfonamides";0.856260212418301;0.326932526346635;0;0.529411764705882;"0000031"
"Benzophenones";0.779166666666667;0.0294302090198817;0;0.2;"0000120"
"Benzoyl derivatives";0.679301425367194;0.146018031124977;0.159594095940959;0.0980392156862745;"0000321"
"Benzylamines";0.727782509937535;0.0197952985805992;0;0;"0002673"
"Biphenyls and derivatives";0.752440577249576;0.0452955090574768;0;0.25;"0000041"
"Butyrophenones";0.733022071307301;0.0113074670874999;0;0;"0000350"
"Diphenylethers";0.75561224489796;0.0206781809424327;0;0.2;"0004155"
"Diphenylmethanes";0.732858090185675;0.0488956082149051;0;0.153846153846154;"0000369"
"Halobenzenes";0.799255583126552;0.341541786399785;0.216318785578748;0.261538461538462;"0000035"
"Methoxybenzenes";0.756628745960782;0.178717299547419;0.126134301270417;0.207317073170732;"0004113"
"Phenethylamines";0.738362068965517;0.0578507208705738;0;0.153846153846154;"0000186"
"Phenoxy compounds";0.680022404779686;0.217902611294625;0.0805825242718447;0.121794871794872;"0004742"
"Phenoxyacetic acid derivatives";0.880225988700565;0.0540481627217579;0;0.333333333333333;"0000417"
"Phenylmethylamines";0.670911148839842;0.0111659876481594;0;0.166666666666667;"0000185"
"Phenylpropanes";0.761658031088083;0.0622907726271529;0;0.0357142857142857;"0002811"
"Styrenes";0.655995558845299;0.0615842905495316;0;0.214285714285714;"0000037"
"Trifluoromethylbenzenes";0.850646879756467;0.169485016609839;0;0.388888888888889;"0004551"
"Xylenes";0.85197934595525;0.103314679966884;0;0.291666666666667;"0004208"
"Naphthalenes";0.664219948849105;0.0864436421594691;0;0.264705882352941;"0000023"
"Phenanthrenes and derivatives";0.872212692967411;0.226575199476262;0;0.55;"0000025"
"Phenol ethers";0.704811270600745;0.30210057898583;0.117408906882591;0.161616161616162;"0002341"
"Anisoles";0.757626673304569;0.281790715088221;0.233778625954198;0.195652173913043;"0000138"
"1-hydroxy-2-unsubstituted benzenoids";0.798952541482423;0.397101559988783;0.293824701195219;0.203296703296703;"0004646"
"1-hydroxy-4-unsubstituted benzenoids";0.8558131784422;0.41262002592204;0.314606741573034;0.389830508474576;"0004647"
"Benzenediols";0.882359695049142;0.306726416941351;0;0.526315789473684;"0001286"
"Methoxyphenols";0.77805239742956;0.084611244636909;0;0.321428571428571;"0000190"
"Tetralins";0.906107305936073;0.174430628174211;0;0.444444444444444;"0000048"
"Lignans, neolignans and related compounds";0.958828522920204;0.722096549490627;0;0.75;"0001392"
"Fatty acids and conjugates";0.831144191476941;0.169630459311843;0.351138353765324;0.357142857142857;"0000262"
"Sesquiterpenoids";0.857609312890403;0.177519309973204;0;0.666666666666667;"0001550"
"Hydroxysteroids";0.852839931153189;0.511360692912022;0;0.666666666666667;"0001295"
"Oxosteroids";0.891781411359727;0.538074025861614;0;0.75;"0001194"
"Pregnane steroids";0.900766609880749;0.595374205664117;0;0.666666666666667;"0003569"
"Purine nucleosides";0.979251700680272;0.325862483504446;0;0.9;"0000479"
"Purine ribonucleotides";0.992147707979626;0.517813853326746;0;1;"0001544"
"Organic nitro compounds";0.760720411663808;0.0920367933846966;0;0.222222222222222;"0001152"
"Amino acids, peptides, and analogues";0.693707229727334;0.353761821899904;0.19620253164557;0.142857142857143;"0000013"
"Carboxylic acid derivatives";0.635616438356164;0.369939710044574;0.13013698630137;0.109677419354839;"0001093"
"Carboxylic acids";0.730562710521103;0.34525074231289;0.18469387755102;0.135922330097087;"0001205"
"Dicarboxylic acids and derivatives";0.612626422250316;0.0934793124869381;0;0.107142857142857;"0000346"
"Phosphate esters";0.875628019323672;0.302378221212368;0;0.638888888888889;"0000408"
"Organosulfonic acids and derivatives";0.797108094888725;0.291303741235461;0.190602836879433;0.362068965517241;"0000270"
"Organic sulfuric acids and derivatives";0.841921768707483;0.063674635062892;0;0.4;"0000403"
"Thiophosphoric acid esters";0.991228070175439;0.542051833752407;0;1;"0001572"
"Hybrid peptides";0.866157328805886;0.342380024611021;0;0.5;"0002010"
"Vinylogous acids";0.839355179704017;0.407445482290753;0.256363636363636;0.511627906976744;"0003889"
"Vinylogous esters";0.750212947189097;0.0291692193288706;0;0.333333333333333;"0003891"
"Amines";0.675146041964711;0.577595201765303;0.151388888888889;0.169527896995708;"0002449"
"Guanidines";0.895848595848596;0.262376080923068;0;0.428571428571429;"0000375"
"Imines";0.673443775100403;0.0999981503504358;0;0.166666666666667;"0000117"
"Quaternary ammonium salts";0.667662116040955;0.101903891887633;0;0.357142857142857;"0000503"
"Organic oxoanionic compounds";0.923174872665535;0.356676741046045;0;0.666666666666667;"0000463"
"Organic pyrophosphates";0.923174872665535;0.356676741046045;0;0.666666666666667;"0001804"
"Organic oxoazanium compounds";0.755876068376068;0.0727205730511651;0;0.375;"0001508"
"Alcohols and polyols";0.652619589977221;0.420956121902126;0.150341685649203;0.186274509803922;"0000129"
"Carbohydrates and carbohydrate conjugates";0.88949265081437;0.594371721251168;0.36787072243346;0.567164179104478;"0000011"
"Carbonyl compounds";0.671469094382703;0.584844845846096;0.214912280701754;0.143426294820717;"0001831"
"Ethers";0.714999610349127;0.503917965812484;0.233167082294264;0.171875;"0000254"
"Alkyl chlorides";0.674975621647975;0.206396375722618;0;0.357142857142857;"0001026"
"Alkyl fluorides";0.718550724637682;0.131540419589296;0;0.222222222222222;"0001027"
"Aryl fluorides";0.787487922705315;0.22142872829866;0;0.333333333333333;"0001031"
"Aryl iodides";0.990677966101695;0.700129634615605;0;1;"0001032"
"Organofluorides";0.764219193938756;0.275368434447061;0.102862254025045;0.352941176470588;"0001517"
"Organoiodides";0.884231748726655;0.387983451558471;0;0.75;"0001518"
"Imidazoles";0.739371804236669;0.144493888414216;0.146846846846847;0.175675675675676;"0000078"
"Pyrazoles";0.71763202725724;0.213697199275006;0;0.333333333333333;"0000087"
"Thiazoles";0.745068610634648;0.081394338798186;0;0.3;"0000095"
"Benzazepines";0.937755102040817;0.501279113419343;0;0.7;"0000293"
"Dibenzazepines";0.936120543293718;0.418986303728934;0;0.625;"0000320"
"Benzimidazoles";0.794337606837607;0.072434486778151;0;0.25;"0000294"
"Benzodiazepines";0.895088018171494;0.283061391414016;0;0.5;"0000295"
"1,4-benzodiazepines";0.917517006802721;0.34833907960542;0;0.6;"0004097"
"Benzodioxoles";0.741978989210678;0.115330464529382;0;0.333333333333333;"0000296"
"Benzofurans";0.782580919931857;0.0560663459318289;0;0.166666666666667;"0000301"
"Benzopyrans";0.902501776830136;0.512060103777379;0.561904761904762;0.522388059701492;"0000123"
"1-benzopyrans";0.903800862607117;0.542855845223687;0.585551330798479;0.529850746268657;"0003410"
"Benzothiazoles";0.671683673469389;0.248793178291211;0;0.4;"0000311"
"Coumarans";0.793149683081425;0.270323579957465;0;0.5;"0004189"
"Piperazines";0.749897875816993;0.175667542826828;0;0.352941176470588;"0000189"
"Pyrimidines and pyrimidine derivatives";0.7491876911315;0.196106234619983;0.169724770642202;0.197916666666667;"0000075"
"Heteroaromatic compounds";0.698143619386393;0.5928427449257;0.190751445086705;0.17004048582996;"0004144"
"Imidazopyrimidines";0.894255455712453;0.38283982478738;0;0.631578947368421;"0001797"
"Purines and purine derivatives";0.894255455712453;0.38283982478738;0;0.631578947368421;"0000245"
"Indoles and derivatives";0.795823399963322;0.118343425585217;0;0.236842105263158;"0000211"
"Lactones";0.782247197893058;0.133015357091627;0.127886323268206;0.224137931034483;"0000050"
"Gamma butyrolactones";0.70076530612245;0.0425086463943107;0;0.4;"0001245"
"Oxacyclic compounds";0.729259053954176;0.455728206035318;0.231934731934732;0.149390243902439;"0004140"
"Oxanes";0.891424573560768;0.482694745360657;0.41044776119403;0.589285714285714;"0002012"
"Piperidines";0.756875114840447;0.173177192983085;0.149200710479574;0.224137931034483;"0000195"
"Pyrans";0.857202982202981;0.387402118682372;0.307977736549165;0.37037037037037;"0000086"
"Pyranones and derivatives";0.861506041531002;0.388224665305653;0.325645756457565;0.401960784313726;"0000481"
"Hydroxypyridines";0.712146892655368;0.0187589902477243;0;0.333333333333333;"0004151"
"Pyridinecarboxylic acids and derivatives";0.770789124668434;0.226152563278381;0;0.346153846153846;"0001322"
"Quinolines and derivatives";0.771499333999335;0.248253792413035;0.201048951048951;0.452380952380952;"0001253"
"Benzoquinolines";0.837118437118437;0.125232321742398;0;0.571428571428571;"0001908"
"Haloquinolines";0.853353140916809;0.529701911880301;0;0.625;"0004403"
"Quinoline carboxylic acids";0.969439728353141;0.485476750531004;0;0.75;"0002552"
"Quinolones and derivatives";0.895513912549688;0.283376708318434;0;0.666666666666667;"0000056"
"Tetrahydrofurans";0.777623239436619;0.121715615689023;0.181338028169014;0.22;"0002648"
"Tetrahydroisoquinolines";0.824616695059624;0.229440879898121;0;0.4;"0002955"
"1,3,5-triazines";0.965615709591612;0.797401617000247;0;0.909090909090909;"0004105"
"Aminotriazines";0.939957264957265;0.605720653059325;0;0.875;"0001693"
"Cinnamic acids and derivatives";0.730703259005146;0.0557639430817691;0;0.25;"0000476"
"Cinnamic acids";0.899576271186441;0.023927028798676;0;0.333333333333333;"0002504"
"Hydroxycinnamic acids and derivatives";0.727136752136752;0.0507794706496645;0;0.3125;"0001391"
"Coumarins and derivatives";0.808591508892714;0.178056561078123;0;0.416666666666667;"0000145"
"Flavans";0.887554851292053;0.094208892320346;0;0.428571428571429;"0000337"
"Flavones";0.929180194805195;0.464901642026733;0.535714285714286;0.636363636363636;"0001615"
"Flavonoid glycosides";0.984638664710198;0.815962207828736;0.836879432624113;0.896551724137931;"0001111"
"Hydroxyflavonoids";0.948319073545933;0.545950520470642;0.766787658802178;0.678571428571429;"0002991"
"O-methylated flavonoids";0.928885037550549;0.251753118574797;0;0.533333333333333;"0002585"
"Isoflav-2-enes";0.859183673469387;0.036223267984961;0;0.2;"0002901"
"Macrolactams";0.934745762711864;0.670909488679894;0;0.666666666666667;"0000064"
"Macrolides and analogues";0.911054421768708;0.200812647187884;0;0.4;"0000147"
"Phenylpropanoic acids";0.875778155065082;0.0219379468250041;0;0.166666666666667;"0002551"
"Stilbenes";0.828947368421053;0.0281509228769895;0;0.25;"0000253"